#DEFINITION	Reference Metabolome for Vernicia fordii
#IDENTTFIER	RefMeta-Vernicia fordii.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Vernicia fordii
#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 Vernicia fordii 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	996.135
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03321	0.1
71.01256	0.2
71.59735	0.1
72.70498	0.1
79.01797	0.2
81.03365	0.1
83.01305	0.3
85.02831	0.1
86.43924	0.1
89.03881	0.1
91.01804	0.2
93.03358	0.3
95.01305	0.6
97.02869	0.3
103.05482	0.1
105.03340	0.2
107.04980	0.2
109.02870	0.6
111.00774	0.4
115.05444	0.2
117.03368	0.5
119.04927	0.5
121.02849	0.4
123.00777	0.9
123.04432	0.2
124.01569	0.2
125.02377	0.9
127.00302	0.1
129.03400	0.2
131.04947	0.3
133.02910	0.8
135.00804	0.1
135.04456	0.2
136.01341	0.1
137.02379	1.5
139.00349	0.3
139.03909	0.1
141.01862	0.3
141.03366	0.3
145.02879	1.7
147.00795	0.2
147.04463	1.5
148.01553	0.2
149.02380	0.5
151.00310	0.4
153.01907	0.2
157.02898	1.1
158.03691	0.1
159.00797	0.1
159.04466	1.2
160.01627	0.2
161.02428	1.1
163.00327	1.8
163.03938	1.2
164.01074	0.3
165.01866	1.3
166.99809	0.4
169.01353	0.5
169.02710	0.2
172.01662	0.1
173.02393	2.5
174.03151	0.3
175.00391	0.1
175.03954	2.3
176.01186	0.2
177.01878	1.2
177.05531	0.2
178.99802	0.5
185.02415	3.5
186.02818	0.3
187.00401	0.2
187.03989	0.7
189.01897	0.9
190.02684	0.9
190.99867	0.6
191.03471	2.1
192.00609	0.2
193.01396	2.0
199.00452	0.1
200.01166	0.3
201.01904	4.1
202.02530	0.4
203.03496	3.7
204.00584	0.2
204.03864	0.2
205.01456	0.9
205.04987	0.1
206.99330	0.6
207.02859	0.2
208.00172	0.2
209.00842	1.3
213.01907	1.5
214.02716	0.6
214.99821	0.2
215.03572	0.3
216.00690	0.3
217.01437	1.6
217.04926	0.2
218.02095	0.5
218.99382	0.2
219.02969	1.7
221.00890	0.5
222.01556	0.2
226.99911	0.4
227.03564	0.4
228.00618	0.5
229.01437	8.7
230.02025	0.8
230.99457	0.2
231.03001	3.4
232.03378	0.1
233.00903	0.8
234.01428	0.1
235.02580	0.1
237.00359	1.1
240.00633	0.2
241.01347	0.3
242.02351	0.1
242.99370	0.3
243.02979	0.4
244.00050	0.4
245.00948	3.3
246.01622	0.5
247.02498	2.6
248.03026	0.2
249.04057	1.6
254.99374	0.3
255.03026	0.3
257.00964	8.2
258.01697	2.9
259.02322	0.6
260.02991	0.1
261.00461	4.3
261.04074	0.2
262.00983	0.2
269.00995	0.1
270.98941	0.7
271.02527	0.4
271.99545	0.4
273.00485	3.6
273.03568	0.2
274.01248	3.5
275.02032	37.1
276.02402	2.2
277.00134	0.1
279.01556	0.3
281.01019	0.2
283.02603	0.2
283.99722	2.6
285.00439	1.5
286.01108	0.2
286.98703	0.1
287.02048	0.5
291.01508	0.5
297.02554	0.4
298.01248	0.1
298.98441	0.9
299.02017	0.7
299.99164	5.6
300.02634	0.3
300.99954	100.0
302.00293	6.0
303.01324	0.5
315.01611	0.6
319.01068	1.3
319.04681	0.3
327.01697	0.7
328.99332	0.2
331.01041	0.1
345.02591	1.8
346.03174	0.1
361.01825	0.2
371.00598	0.5
387.03409	0.2
389.01639	0.4
405.04761	0.6
431.02783	0.3
436.08853	0.2
449.03653	0.3
464.08450	0.4
467.04459	0.1
502.09967	0.5
518.09583	0.4
528.07837	0.5
538.77277	0.1
546.09045	7.3
547.09644	0.7
738.09595	1.1
766.09216	1.4
767.09033	0.1
804.10596	0.2
808.10559	0.2
820.09143	0.6
848.09698	11.3
849.10034	1.7
918.11316	0.3
936.11261	1.1
978.11835	0.4
996.13458	2.1
997.14117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	4.3
71.01268	5.5
72.99194	2.7
75.00749	2.4
77.03805	2.0
81.03351	8.1
83.01273	17.9
85.02847	2.1
89.02326	2.7
92.92684	4.4
93.03377	6.2
95.04932	5.2
96.95904	3.3
97.02860	8.7
98.19736	2.7
99.04418	3.6
101.02347	3.1
104.60558	1.6
109.02888	11.2
110.18418	2.0
110.35877	1.8
119.65514	1.7
121.02880	9.3
122.03651	2.2
123.00787	1.5
123.04443	4.5
124.01556	2.2
125.02369	91.8
126.02813	1.7
133.02846	3.0
135.04416	6.0
137.02379	83.2
138.02820	1.7
139.03934	3.7
146.03682	23.4
147.04395	3.8
149.02348	3.1
151.03940	7.7
156.65085	1.6
159.04486	10.0
160.05223	4.9
161.02388	3.6
161.05989	2.9
164.01108	21.8
165.01897	44.5
167.03461	21.5
169.01494	1.8
172.05237	6.4
173.05997	5.1
174.03194	13.0
174.06833	4.3
175.03958	3.7
177.01886	7.5
179.03439	15.4
185.06024	2.7
186.06839	3.4
187.03932	7.0
187.07590	2.4
188.04750	9.1
189.05428	3.9
191.03343	2.3
199.07626	2.0
200.04758	5.1
201.05598	4.1
204.04294	5.8
209.06099	2.1
210.06892	1.9
211.04010	3.1
211.13086	1.8
212.04762	6.9
213.05518	2.5
215.06889	1.9
223.07629	2.3
224.04843	1.8
225.05553	5.4
226.06287	3.4
228.07784	2.6
237.05640	2.6
239.07161	2.2
241.12332	2.3
243.13988	2.2
251.07095	2.8
252.07935	1.9
253.05344	1.9
255.14001	2.2
265.08582	2.0
268.07452	3.9
269.11926	6.2
270.08951	2.5
271.13480	31.6
272.13824	2.7
273.07758	6.4
277.21909	13.8
278.21933	2.7
283.13388	5.7
285.15054	5.8
288.06216	1.8
289.14529	10.6
294.08978	5.7
295.13458	4.8
297.15009	3.9
299.12997	7.8
301.14407	5.3
309.14688	1.8
313.14572	22.5
315.16083	3.5
317.13992	7.1
325.14575	15.2
331.15485	4.5
335.16705	4.8
337.14642	7.5
343.15561	5.5
351.15988	4.0
353.17529	2.6
355.15704	2.0
369.16339	2.0
377.17667	6.2
379.15628	4.0
393.16882	2.5
395.18762	5.0
401.17706	2.7
419.18613	14.9
437.19812	10.0
463.17526	3.7
481.17792	2.0
567.24249	4.6
673.28967	4.2
691.29358	1.9
827.46405	21.1
828.46448	5.0
839.45605	13.2
851.46173	9.6
857.46838	9.8
933.50293	18.4
934.50604	6.0
951.48956	4.5
959.48309	5.9
977.49304	100.0
978.49451	32.8
995.50354	79.3
996.50433	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	0.2
71.01267	1.3
71.87341	0.2
72.99186	0.3
73.02852	0.2
79.01781	0.5
83.01266	0.5
85.02843	0.9
89.02340	0.4
93.03321	0.3
95.01280	0.9
96.95941	0.3
97.02823	0.2
98.19774	0.6
99.00792	0.2
101.02339	1.1
107.01301	3.6
108.02116	0.4
109.02859	0.7
111.00789	1.3
113.02361	0.5
121.02888	0.5
122.99892	0.5
123.00796	7.5
123.01678	0.5
124.01581	0.4
125.02368	11.4
126.02679	0.3
128.02039	0.2
132.91203	0.2
133.02864	0.2
135.00861	0.2
136.98724	0.8
137.02368	0.6
139.00301	2.3
140.01079	2.0
141.01884	1.2
145.02756	0.3
149.02342	0.4
151.00308	8.6
151.03925	0.4
152.00653	0.3
153.01868	0.4
161.02385	0.2
163.00342	0.7
163.03938	0.3
164.01094	0.5
165.01862	0.3
166.99893	0.3
168.00592	2.5
169.01382	14.8
170.01678	0.5
175.03926	0.3
177.04010	0.9
178.99846	1.5
209.01048	0.2
211.02390	1.8
225.14909	0.4
227.03438	0.6
243.03021	1.0
245.04720	0.3
245.08307	0.3
255.03008	4.6
256.03320	0.5
268.03937	0.3
271.02377	7.1
271.04797	1.2
272.02896	0.8
299.02118	0.3
300.02792	16.3
301.00137	0.6
301.03528	11.7
302.03824	1.0
313.05743	1.8
321.95752	0.2
329.05206	0.4
387.13043	1.4
447.09418	21.5
448.09702	3.0
448.15372	0.4
449.09879	0.5
464.00742	0.2
537.19855	1.5
538.20380	2.3
539.21454	100.0
540.21832	12.0
577.15881	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	0.2
71.01278	0.4
71.59483	0.2
73.02834	0.9
79.01779	0.3
79.05396	0.2
80.02595	0.1
81.03348	0.3
83.01308	0.2
84.56633	0.1
85.02852	0.3
89.03862	0.2
91.01810	0.2
91.05447	0.3
93.03363	0.9
93.21836	0.1
95.01283	1.2
95.04914	0.2
95.09727	0.1
97.02869	0.6
99.00780	1.3
101.03897	0.2
103.05421	0.4
105.03384	0.5
107.01265	0.3
107.04922	0.5
108.02075	0.4
109.02859	1.6
109.38155	0.1
111.00800	0.4
111.04417	0.4
115.05450	0.6
117.01843	0.7
117.03359	0.9
119.01288	0.4
119.04951	1.5
121.02860	1.0
121.06532	0.9
123.00802	2.0
123.04471	0.7
124.01595	1.0
125.02374	8.4
126.02696	0.4
127.38544	0.1
129.03392	0.5
130.04140	0.3
131.01303	0.2
131.04938	1.7
132.02075	0.4
133.02882	1.2
133.06483	1.1
135.00818	0.2
135.04453	1.8
136.01608	0.3
137.02383	2.9
137.05962	0.2
138.03130	0.3
139.00304	0.2
139.03929	0.4
140.01073	0.1
141.03340	0.2
143.04958	0.6
145.02895	3.0
146.03679	0.7
147.00795	1.0
147.04463	3.7
148.01631	0.7
148.04756	0.2
149.02376	3.3
149.06026	1.4
150.02888	0.2
151.03951	0.7
155.03452	0.2
157.02892	1.1
158.03758	0.7
159.04469	4.5
160.01610	0.3
160.05312	0.3
161.02402	2.9
161.06018	2.4
162.03207	0.7
163.00343	1.4
163.03958	4.9
164.01115	3.3
164.04552	0.4
165.01881	2.1
165.05504	0.4
166.99831	0.3
167.03520	0.2
168.00607	0.2
169.01389	5.2
169.02791	0.2
170.01743	0.2
171.00775	0.2
171.04425	0.1
173.02385	2.8
174.03123	0.6
175.00418	0.8
175.03961	7.7
176.01097	0.7
176.04483	0.4
177.01901	4.1
177.05534	3.6
178.02348	0.3
178.99873	0.3
179.03447	1.0
181.01495	0.1
184.01732	0.1
185.00859	0.3
185.02417	3.5
185.06100	0.1
186.02831	0.3
187.00365	0.2
187.03976	4.4
188.01064	0.3
188.04330	0.3
189.01912	3.5
189.05458	0.2
190.02690	3.2
190.99942	0.6
191.03474	8.5
192.00639	1.1
192.03871	0.6
193.01401	2.8
193.05067	0.9
195.02876	0.2
195.04453	0.2
199.00398	0.3
199.03954	0.3
200.01141	0.3
201.01936	3.4
201.05611	0.4
202.02551	0.6
203.03488	18.2
204.00725	0.1
204.04068	1.4
205.01404	1.5
205.05051	18.2
206.02078	0.2
206.05389	1.0
207.02985	2.6
208.00175	0.2
208.03375	0.2
209.00931	0.2
211.04071	0.2
213.01944	1.6
213.05571	0.3
214.02605	0.6
214.99980	0.1
215.03453	0.2
216.00652	0.8
217.01402	2.3
217.04973	0.3
218.02135	0.4
218.99530	1.0
219.02975	2.7
220.03432	0.2
221.00960	0.4
221.04532	1.7
222.01662	0.2
223.02324	0.3
226.99886	0.4
227.03439	0.4
228.00618	0.3
228.04306	0.2
229.01427	6.8
230.02069	0.9
231.03003	19.3
232.03336	1.3
233.01012	0.3
234.01639	0.2
235.02475	0.6
235.06052	0.7
237.00447	0.9
237.04048	0.2
237.07762	0.3
239.03554	0.2
241.01439	0.2
241.05254	0.2
242.01930	0.2
242.99284	0.2
243.02966	0.6
244.00113	0.7
245.00938	4.0
245.04626	0.3
246.01469	0.6
247.02502	3.7
248.03105	0.7
249.04080	4.6
250.04466	0.2
251.01964	3.8
252.02190	0.2
252.62109	0.1
254.99275	0.1
255.02991	0.3
256.03653	0.2
257.00964	5.2
257.04431	0.4
258.01636	1.3
259.02487	0.4
261.00604	0.2
263.01923	0.2
263.05640	1.3
265.03601	0.3
267.03061	0.3
268.03802	0.1
269.04605	0.3
270.98999	0.2
271.02588	0.2
271.06192	0.5
271.99683	0.2
273.00482	3.0
273.03677	0.3
274.01260	1.7
275.02032	17.3
276.02390	1.3
281.06799	0.2
282.99103	0.2
283.02359	0.3
283.99707	2.8
284.02887	0.2
285.00308	0.3
285.04184	0.2
287.01953	0.4
287.05692	0.3
287.16891	0.1
288.02780	0.2
289.03778	0.3
289.07205	0.5
290.00748	0.2
291.01535	0.7
291.04962	0.2
293.03076	2.6
294.03381	0.2
295.02576	0.3
295.05948	0.1
298.98334	0.3
299.01813	0.2
299.99185	4.8
300.99957	100.0
302.00302	7.2
303.00626	0.2
307.04663	5.7
308.04944	0.4
311.01895	0.2
313.03461	0.3
314.00711	0.3
315.01450	0.7
316.99554	0.2
317.02945	0.2
319.01022	4.4
320.01492	0.3
325.05762	3.1
326.05847	0.3
329.02927	0.3
331.06808	0.2
337.02136	3.8
338.02451	0.4
340.99417	0.2
341.03079	0.2
343.01053	0.4
351.03656	10.6
352.04050	0.8
369.04663	1.4
373.44067	0.1
381.04852	0.2
385.02075	0.3
401.05341	0.8
407.07742	0.2
408.08020	0.2
419.06241	0.4
437.07419	0.4
445.04227	2.1
453.07281	0.2
463.05258	2.9
464.05527	0.3
468.71701	0.2
481.06323	2.6
482.06958	0.3
499.07465	0.4
507.97043	0.2
513.08942	1.8
514.09467	0.2
589.08728	0.2
607.08887	0.2
615.06586	0.9
633.07422	5.9
634.07654	0.8
651.08850	0.7
665.09882	0.2
739.07874	0.2
757.09235	0.3
765.05414	0.2
783.06873	1.6
784.07166	0.3
801.08154	0.9
802.07452	0.1
815.09338	1.3
816.10223	0.2
853.08624	0.1
909.11188	0.6
935.08167	1.2
936.08594	0.4
953.09296	8.2
954.09540	1.9
967.10858	0.3
985.11829	4.8
986.11908	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99713	0.2
69.03339	0.6
69.50020	0.4
69.50439	0.9
71.01279	1.1
71.26660	0.1
71.70071	0.1
72.99199	0.3
79.01789	0.5
81.03365	0.5
83.01252	0.9
85.02855	0.5
87.00764	0.3
89.02334	0.4
93.03349	0.2
95.01296	1.4
95.04916	0.3
97.02866	1.5
101.02341	0.6
107.01295	2.7
109.02879	2.5
110.00034	0.3
111.00797	1.4
113.02368	0.5
121.02853	0.3
122.03623	0.3
123.00807	8.5
123.04428	1.4
124.01566	0.7
125.02373	31.8
126.02716	0.7
127.00291	0.4
135.04378	0.2
136.05244	0.3
136.98714	0.7
137.02377	2.5
138.03244	0.2
138.06770	0.2
139.00314	2.7
139.03923	0.6
140.01091	2.4
141.01886	1.2
142.41205	0.2
145.02917	0.7
149.02414	0.7
150.03165	0.2
151.00316	4.5
151.03952	1.5
151.07620	0.2
152.00548	0.2
153.01852	0.5
153.09171	0.4
154.99831	0.2
159.04434	0.6
161.02438	0.3
161.06035	0.5
163.03947	0.5
163.11238	0.3
164.01080	0.5
165.01855	0.9
166.99832	0.5
167.03439	0.4
168.00616	3.5
169.01384	41.8
170.01717	1.3
173.06099	0.1
175.03969	0.2
175.07639	0.3
179.03436	0.8
185.06036	0.4
187.03979	0.8
188.04730	0.5
193.01393	1.5
201.05515	0.2
202.06332	0.2
203.07158	1.5
205.01434	0.2
205.05090	0.7
205.12352	0.8
211.02466	3.6
221.08128	0.5
227.07193	0.2
231.02948	0.2
245.08258	2.1
246.08588	0.2
253.05206	0.3
259.06253	0.3
271.04709	2.1
271.06345	0.7
289.07266	13.1
290.07538	1.0
297.06290	0.2
301.00104	0.3
303.05261	0.8
304.05450	0.2
313.05701	0.9
316.02219	0.2
331.04663	0.5
441.08374	26.4
442.08710	2.7
536.19592	0.2
537.19891	100.0
538.20233	11.6
540.60828	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.088
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63970	1.6
71.01275	0.4
79.05420	0.3
81.02737	0.2
85.02851	0.3
87.71598	0.2
89.03867	0.2
91.05434	0.5
93.03387	0.4
93.95432	0.2
95.01273	1.0
97.02847	0.3
101.03923	0.4
103.05431	0.7
105.03391	0.8
105.07005	0.3
107.01327	0.4
107.04953	0.6
109.02879	0.4
111.00826	0.3
113.02352	0.3
113.03860	0.3
115.05450	0.4
117.03380	0.8
119.04939	3.1
121.02859	0.7
121.06547	0.6
123.00825	2.0
124.01601	0.3
125.02366	5.5
129.03397	0.5
130.04163	0.4
131.04962	2.4
132.02104	0.6
133.02892	1.6
133.06488	0.4
134.03630	0.5
135.04453	0.9
137.02385	0.6
137.06110	0.2
139.00319	0.2
139.68713	0.2
143.04979	0.3
145.02881	2.6
146.03645	0.2
147.00842	0.3
147.04463	7.7
148.04855	0.4
149.02377	1.1
149.06030	5.2
150.06415	0.3
151.00290	0.3
157.02876	1.1
158.03674	0.7
159.00854	0.2
159.04478	4.6
160.01639	0.5
161.02415	2.0
162.03194	1.3
163.00319	0.6
163.03963	2.4
164.01094	0.5
165.01926	0.8
165.05536	0.4
166.99770	0.4
169.01390	4.9
170.01764	0.2
171.04485	0.3
173.02399	3.1
174.03163	1.1
175.03970	20.1
176.01091	0.3
176.04489	1.6
177.02000	1.7
177.05531	12.7
178.05910	0.6
179.03427	0.4
185.02437	2.6
187.00375	0.3
187.03961	0.8
188.01167	0.3
189.01921	2.6
190.02676	1.1
190.99881	0.5
191.01717	0.4
191.03476	7.6
192.00656	0.3
192.03831	0.3
193.01418	0.7
193.05032	2.9
197.05943	0.2
199.00319	0.3
200.01279	0.4
201.01917	3.4
202.02580	1.1
203.03493	32.8
204.03835	1.9
204.99742	0.3
205.01381	1.3
205.04990	0.3
207.03020	0.4
213.01950	1.3
213.05508	0.3
214.02672	0.5
214.99956	0.3
215.03523	0.6
216.00642	0.4
217.01436	2.7
218.02119	0.8
219.03024	3.9
220.03693	1.0
221.01108	0.5
221.04570	5.9
222.40096	0.2
226.99796	0.6
227.03537	0.6
228.99164	0.5
229.01447	8.3
229.05086	0.5
230.01958	0.9
231.02997	3.8
233.00955	0.5
234.01617	0.3
235.02518	1.9
240.04317	0.3
241.04959	0.5
242.02216	0.4
242.99240	0.3
243.02983	0.7
244.00069	0.7
245.00964	6.4
245.03603	0.4
245.04668	0.4
246.01530	0.7
247.02515	31.5
248.03058	2.6
249.04076	4.5
255.03082	0.4
257.00958	6.1
257.04218	0.3
257.04697	0.3
258.01691	2.4
259.02454	0.4
259.06113	0.4
261.00449	0.3
264.02698	0.2
265.03589	12.4
266.03952	0.6
269.04599	0.3
270.98926	0.8
271.02722	0.3
271.99628	0.4
273.00522	6.0
273.03787	0.5
274.01239	2.4
275.02045	22.1
276.02362	1.8
283.02661	0.3
283.99692	3.0
285.00363	0.5
285.04105	0.5
287.02109	0.7
290.00534	0.4
291.01526	8.9
292.01822	0.6
293.03235	0.3
298.98459	0.7
299.01813	0.4
299.99203	5.4
300.99963	100.0
302.00296	8.0
303.00598	0.7
307.04794	0.3
309.02591	1.9
311.01938	0.4
313.00143	0.3
314.00644	0.6
315.01532	2.3
315.98334	0.3
316.99533	4.7
317.03082	0.9
317.99872	0.4
319.00824	0.4
327.01776	0.3
329.03027	0.7
331.04691	0.4
340.99420	0.6
341.03174	0.3
343.00931	1.6
357.02625	0.3
385.02036	0.9
391.06982	0.4
401.05276	0.6
409.07825	6.2
410.08078	0.3
419.06192	1.2
427.09348	0.3
437.07431	0.8
445.04062	2.5
446.04590	0.3
453.06943	1.9
463.05338	5.7
464.05624	0.6
481.06094	0.3
499.07297	0.3
561.08899	0.5
615.06195	0.4
623.08954	0.4
633.07617	4.2
634.07495	0.4
667.08795	0.4
711.08630	10.9
712.09045	1.9
729.09424	0.7
755.07581	6.0
756.07739	1.1
773.09106	1.3
799.06372	0.3
817.07648	1.0
851.09851	1.9
852.10345	0.3
881.10950	3.1
882.11285	0.7
895.08527	1.3
907.07568	0.3
925.09875	5.5
926.10822	1.2
953.84454	0.2
969.08661	1.7
970.09119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01797	0.6
69.64558	2.1
69.64969	1.6
71.01273	0.8
77.95520	0.5
89.03837	0.8
91.05436	1.4
93.03366	1.2
95.01313	1.6
98.20490	1.2
103.05444	1.4
105.03378	7.5
115.05425	0.9
117.03412	0.8
119.04935	5.5
121.02866	1.8
123.00785	2.1
125.02400	3.6
130.04176	1.8
131.04968	3.8
132.02011	1.3
133.02901	2.7
135.04483	0.9
142.16977	0.7
145.02928	3.5
147.00832	0.8
147.04451	21.1
149.02362	1.5
149.05983	1.1
151.03955	1.0
157.02911	1.3
158.03708	4.3
159.04468	11.6
160.01601	1.1
161.02377	5.6
162.03098	1.1
163.03970	2.0
169.01353	2.7
173.02356	3.0
174.03136	2.0
175.03967	76.6
176.01109	0.7
176.04315	2.5
177.01982	3.3
177.05498	4.4
177.44223	0.6
179.03499	0.8
185.02402	4.1
189.01949	3.7
190.02684	1.2
191.03481	6.3
193.01456	1.2
201.01936	3.8
202.02499	1.4
203.03494	63.4
204.03761	2.8
205.01349	2.2
213.01898	1.0
217.01337	2.2
219.02986	4.9
219.97919	0.5
221.04579	9.4
222.04916	0.7
225.29062	0.5
229.01413	7.9
231.03000	2.6
232.00122	1.2
242.02313	0.7
245.00928	5.5
246.01575	0.7
247.02509	97.2
248.02922	4.1
249.00339	0.9
249.04182	2.2
257.00986	5.3
258.01672	1.9
259.02411	0.8
270.99030	0.7
273.00525	6.9
274.01242	3.0
275.02032	15.6
283.99850	3.1
287.02225	1.0
290.00882	0.8
291.01529	11.7
298.98645	1.5
299.99185	3.2
300.99969	86.7
302.00281	6.1
316.99481	3.5
317.99609	0.7
329.03015	0.9
335.00549	9.5
362.27216	0.6
424.57422	0.6
463.05399	4.2
587.87836	0.7
631.06171	0.8
633.07471	100.0
634.07928	10.9
883.83191	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
71.60824	1.2
77.52111	0.6
82.56174	0.6
86.05661	0.5
87.00740	0.7
91.05437	0.7
93.03358	0.7
95.01286	0.7
105.03356	1.8
107.01286	0.7
109.02874	0.6
113.28228	0.6
117.03437	1.2
119.04961	3.0
121.02843	1.0
123.00797	2.6
124.17657	0.7
125.02374	6.2
131.04930	1.3
132.02142	0.6
133.02887	1.1
135.04465	1.0
137.02371	1.6
139.00238	0.7
145.02924	3.3
147.00699	0.7
147.04446	5.9
149.02425	1.2
149.05995	2.3
151.03911	0.8
157.02893	1.3
158.03709	0.7
159.04485	3.6
161.02388	4.4
162.03047	0.9
163.00331	1.0
163.03967	3.5
164.01082	0.9
165.01895	1.3
169.01404	6.7
173.02435	4.3
174.03038	0.8
175.03954	15.6
176.01167	0.8
176.04333	1.0
177.01868	3.7
177.05539	4.2
185.02417	2.6
189.01933	3.7
190.02576	1.4
190.09846	0.6
190.99802	1.2
191.03467	9.4
193.01373	2.3
193.95438	0.6
201.01875	4.3
202.02364	0.9
203.03477	16.4
204.03937	1.3
205.01337	1.1
205.05251	0.6
207.03046	1.3
213.01968	0.9
216.00496	0.7
217.01457	4.6
218.01851	0.8
219.02979	4.0
221.00935	1.3
221.04543	3.8
226.99886	0.9
229.01431	8.8
230.01930	1.2
231.03003	2.1
232.00232	1.3
235.02496	2.4
243.03113	0.8
244.00133	0.7
245.00972	7.7
246.01248	1.0
247.02505	31.2
248.02919	2.5
249.00453	0.7
249.04041	2.3
257.00952	5.5
258.01645	2.2
261.00342	0.8
265.03561	1.7
270.98972	1.3
271.99475	0.7
273.00497	9.0
274.01086	2.4
275.02032	11.7
276.02350	1.6
283.99631	2.7
291.01547	7.9
298.98471	2.0
299.99127	6.1
300.99951	100.0
302.00287	9.4
303.00684	1.4
309.02634	1.2
316.99426	5.3
317.99753	0.8
335.00595	3.4
388.14941	0.6
398.15897	0.6
409.08072	1.1
435.05609	1.3
438.23541	0.7
445.04749	0.9
453.06729	1.4
463.05429	3.0
477.06860	1.0
497.06009	0.9
531.07733	0.7
557.22968	0.7
615.05884	0.8
633.07397	6.7
634.08142	0.8
681.07306	0.7
703.98187	0.7
705.93842	0.7
837.08301	0.8
851.09052	1.5
877.07587	0.8
895.08972	1.2
907.08734	1.2
925.10138	2.3
969.09113	5.0
970.08636	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78840	1.3
69.79255	1.7
89.03850	1.1
91.05434	1.7
93.03386	0.5
95.01292	2.0
98.19848	0.7
103.05483	2.2
105.03380	10.0
109.02856	0.6
115.05413	1.2
116.30108	0.4
117.03393	0.8
119.04951	8.5
121.02871	1.6
121.06506	0.5
123.00825	2.7
123.04480	0.6
124.01566	0.6
125.01595	0.5
125.02388	3.4
129.03403	1.0
130.04170	2.7
130.05000	0.4
131.04976	5.5
132.02118	1.1
133.02898	2.5
135.04427	1.4
137.02377	0.9
145.02890	3.9
146.03618	0.9
147.04462	23.3
148.04758	0.8
149.02399	1.4
149.06029	1.4
151.03928	1.0
157.02902	1.7
158.03667	4.0
159.04475	12.7
160.01646	1.9
160.04817	0.5
161.02385	4.2
162.03082	1.0
163.03944	1.3
165.01935	1.2
165.05455	0.5
169.01382	2.4
173.02396	4.2
174.03189	2.2
175.03970	84.6
176.01134	0.6
176.04305	4.0
177.01909	3.8
177.05537	5.9
185.02396	3.8
187.03966	0.7
189.01859	2.3
190.02617	0.9
191.03473	7.3
192.00520	0.5
193.01389	1.9
193.04990	0.6
201.01935	4.3
202.02646	1.3
203.03494	71.1
204.00688	0.6
204.03847	3.8
205.01401	2.7
206.02155	0.5
213.01909	1.2
217.01422	3.1
218.01793	0.6
219.03018	5.4
221.04556	8.6
226.99956	0.5
229.01425	9.7
230.02023	1.0
231.02968	2.6
232.00151	1.8
232.03769	0.5
235.02457	0.6
245.00951	7.5
246.01546	1.2
247.02518	100.0
248.02908	6.0
249.00450	0.8
249.04141	2.4
257.00955	6.4
258.01587	2.1
259.02328	0.8
260.03433	0.5
261.00647	0.6
265.03580	0.5
273.00507	8.4
274.01184	3.0
275.02045	18.9
276.02347	1.1
283.99725	2.3
285.00256	0.6
287.01978	0.6
289.00021	0.7
291.01566	12.0
292.01904	0.9
298.98502	0.5
299.99213	3.7
300.99973	93.3
302.00302	8.9
303.00537	0.5
312.96399	0.4
314.00897	0.6
315.01691	0.5
316.99506	2.2
329.03259	0.6
335.00558	11.7
336.00900	0.8
359.74884	0.5
384.94992	0.4
463.05566	4.0
633.07501	98.4
634.07782	15.7
635.08453	0.6
711.08215	0.8
820.29340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01778	0.4
68.99680	0.3
71.01276	0.5
71.52729	0.6
91.01777	0.5
93.03323	1.2
95.01266	1.4
97.02841	0.4
99.00710	0.4
100.49035	0.4
104.72891	0.4
105.03367	1.1
107.01260	0.6
107.04895	0.6
109.02825	0.5
111.00775	1.7
111.54796	0.4
117.03335	1.4
119.01290	0.5
119.04917	1.9
121.02818	1.0
121.06489	0.7
123.00811	2.2
123.04411	0.7
124.01571	0.8
125.02367	7.3
125.45938	0.4
129.03458	0.6
131.04903	1.5
133.02858	1.1
133.06512	0.8
134.77658	0.4
135.04402	1.1
137.02396	2.3
139.00314	2.1
139.03915	0.4
140.01083	0.9
140.14594	0.4
141.01811	1.0
145.02890	4.1
146.03549	0.5
147.00771	1.0
147.04434	3.5
149.02380	4.2
149.05986	1.4
151.00331	0.5
151.03909	1.3
153.01849	0.8
157.02881	1.0
158.03656	0.8
159.04483	3.3
160.01550	0.7
161.02393	4.8
161.05998	2.0
162.03008	0.5
163.00275	1.8
163.03951	3.6
164.01056	0.9
165.01845	1.7
165.05577	0.5
166.99809	1.1
167.03412	0.6
169.01379	7.2
171.00734	0.5
173.02419	3.8
174.03101	0.6
175.00394	0.6
175.03967	7.9
176.01057	0.5
176.04297	0.6
177.01903	4.4
177.05544	3.6
178.02426	0.7
178.99858	0.5
179.03439	0.5
179.07080	0.5
182.99362	0.8
184.00082	0.7
185.00964	0.6
185.02377	2.5
187.00333	0.9
187.04016	2.1
188.00996	0.5
189.01915	7.0
190.02708	2.4
190.99815	1.2
191.03456	4.4
193.01376	5.0
193.05016	1.5
200.01009	0.9
201.01935	4.7
202.02333	1.1
202.99728	0.9
203.03484	13.3
204.00491	0.6
204.03896	1.2
205.01404	5.5
205.05045	10.0
206.02145	0.6
206.05307	0.8
207.02896	0.5
209.00873	0.8
213.01866	1.1
214.99872	1.5
216.00528	1.2
217.01451	5.0
218.01910	0.8
218.99425	0.8
219.02965	3.9
220.03596	0.7
221.00940	0.6
221.04596	4.6
226.99814	1.2
229.01450	7.3
230.02007	0.8
230.99429	0.8
231.03018	7.7
232.00041	1.1
233.01169	2.0
235.02467	0.9
237.00433	2.5
237.04018	0.8
242.99307	3.5
243.99899	0.9
245.00958	8.3
246.01408	0.9
247.02499	9.5
248.03067	0.9
249.04094	4.0
257.00958	4.2
258.01642	1.0
259.99594	0.8
261.00504	3.8
263.01932	1.3
265.03586	1.6
270.98889	7.7
271.99506	0.8
273.00500	7.4
273.03531	0.7
274.01093	2.0
275.02051	18.6
276.02402	2.5
283.99661	1.8
286.98312	1.0
287.98715	0.7
288.99924	2.9
291.01569	4.4
293.03085	4.8
298.98383	8.1
299.01697	0.4
299.99106	6.7
300.99954	83.4
302.00305	10.6
303.00580	3.2
309.02618	1.0
314.97952	2.1
315.01059	0.4
315.98572	5.1
316.99445	100.0
317.99823	6.0
319.01004	7.1
320.01752	0.5
335.00528	0.6
337.02103	9.8
338.02368	1.0
353.01584	3.0
354.01602	0.5
371.08328	0.4
381.05042	0.7
419.06366	0.5
435.05966	0.5
437.07352	0.5
445.03751	0.7
455.08334	0.5
463.05002	2.1
464.05905	0.5
481.06235	3.5
482.06842	0.5
499.07541	2.3
555.63690	0.5
613.05652	0.8
613.27301	0.4
615.06360	0.9
633.07361	3.1
783.06628	2.4
801.08191	2.4
937.09113	1.7
951.07343	0.6
953.10052	0.5
969.09174	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	967.5664
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03342	0.6
71.01273	7.8
71.58612	0.3
72.99179	0.5
73.02850	0.8
77.34479	0.3
78.95808	0.4
81.03353	0.4
83.01275	0.7
85.02841	1.1
87.00767	1.9
89.02336	6.1
89.02836	0.5
95.01304	0.8
96.95912	1.0
97.02851	1.2
101.02346	5.6
111.08015	0.5
113.02355	3.0
113.09650	0.3
119.03412	1.4
125.02358	2.2
141.05548	0.3
143.03413	0.6
161.04503	0.9
167.10829	0.4
179.05612	1.7
179.14485	0.4
195.13895	6.9
196.14578	0.9
205.12334	0.5
205.16020	0.3
205.48444	0.3
211.13313	0.5
221.06709	0.7
223.13420	5.0
224.13734	0.6
225.14925	0.5
228.13661	1.1
235.08287	1.7
239.12852	0.4
256.13193	1.3
265.21814	0.5
269.79163	0.3
275.20233	4.8
276.20273	0.3
277.21790	0.3
287.07941	0.6
293.21295	100.0
294.21622	8.3
305.08762	0.9
323.09872	0.8
379.12402	0.9
397.13583	15.5
398.13806	1.2
415.14682	9.4
416.14999	0.7
569.42145	1.7
654.28296	0.5
673.34662	0.9
691.35742	3.1
692.36182	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99731	0.3
69.03372	0.3
71.01276	14.8
72.01613	0.5
72.99187	1.3
73.02831	1.2
75.00656	0.3
83.01271	1.6
85.02843	3.7
87.00758	1.6
89.01829	0.5
89.02345	9.1
94.06522	0.5
95.01270	1.5
96.95919	7.0
97.62833	0.4
98.20497	0.8
99.00761	1.0
101.02357	7.3
106.06535	3.1
107.03689	0.6
107.06853	0.4
108.04391	0.4
109.02869	0.7
113.02377	4.7
119.03421	2.5
120.08097	3.6
122.06049	8.9
123.00773	0.6
123.04422	0.6
123.06326	0.4
125.02360	4.7
127.12968	0.3
132.04497	0.7
133.02879	0.4
134.06052	22.3
136.07544	0.5
137.02344	0.6
138.24931	0.4
143.03435	0.4
145.02870	0.6
150.05537	1.6
151.00273	0.5
151.03925	0.6
152.07132	6.3
161.02417	0.7
161.04556	0.7
162.05528	0.4
163.00369	0.6
163.03949	0.9
164.01099	0.7
164.07092	0.5
165.01852	0.6
169.01393	1.7
171.08954	0.4
173.02336	0.6
176.07141	0.5
177.01839	0.8
187.03946	0.4
189.01889	0.8
190.05051	1.5
191.03520	0.4
191.05411	0.4
201.01874	0.4
203.03384	0.5
209.07167	0.4
210.07892	0.7
211.04062	0.5
211.08801	2.5
211.12500	0.4
217.01428	0.6
221.10818	0.7
223.08737	2.5
224.09512	1.1
225.10332	3.6
229.01491	0.7
236.05927	0.7
236.09438	0.7
237.06807	2.9
237.10323	3.4
238.11098	1.2
239.11893	3.6
241.13487	0.4
245.00897	1.0
247.02469	0.6
248.09467	0.4
249.06581	0.8
249.10347	0.9
250.07498	1.3
251.08276	7.2
251.11890	2.5
252.08861	1.2
253.09904	0.8
253.13499	1.1
254.32742	0.4
257.00772	0.5
261.10318	0.5
263.08322	2.2
263.11923	1.2
264.09091	4.3
265.09842	7.1
265.13037	0.6
266.10605	0.5
269.09140	0.4
270.98843	0.7
271.06158	0.6
271.10815	0.5
273.00589	2.2
275.02011	1.1
276.08942	0.8
277.09903	2.8
278.10590	1.7
279.11450	11.7
280.12070	1.7
281.13043	1.7
283.10938	1.4
285.12341	0.9
287.05460	0.4
289.07187	1.1
289.10062	0.4
291.11499	2.7
292.08939	0.6
292.12186	1.7
293.12640	0.6
296.11493	0.9
297.12415	0.6
299.99094	0.6
300.99991	8.5
302.00327	1.4
303.11655	0.5
305.09384	1.2
305.12616	0.5
306.09930	0.5
307.10876	1.7
308.11273	0.4
309.08978	0.4
311.14133	0.6
314.12469	2.1
315.12784	0.4
323.10315	2.1
324.11066	1.3
325.12054	0.5
328.14526	0.4
337.11957	1.8
338.12659	0.7
339.13409	0.5
342.12451	0.7
342.16275	1.4
343.13165	0.4
344.14236	0.5
354.12521	0.7
355.13229	0.6
356.14072	1.7
357.14703	0.6
358.15735	1.4
358.19601	0.5
360.17209	0.4
369.14929	0.7
370.15701	1.3
371.16385	0.8
372.17331	1.5
382.11807	0.7
384.13406	1.0
384.17377	1.3
385.18082	1.0
386.14978	1.1
386.18994	1.0
396.13562	0.8
398.14859	1.9
399.15619	0.7
399.20169	0.7
400.16449	0.8
402.18326	0.9
407.07840	0.5
412.16568	1.4
414.18497	1.0
416.16141	0.7
426.18188	1.3
427.18997	0.8
428.15710	0.7
429.16476	0.6
430.18021	2.0
431.18466	1.4
439.10754	4.4
440.11081	0.5
444.19525	0.8
445.20172	0.8
450.20416	0.4
458.17297	0.4
460.19193	0.5
462.20197	0.8
471.17801	0.7
472.18753	1.2
473.19669	0.6
486.20309	0.5
488.18124	0.5
490.19971	2.3
520.21265	0.5
564.20264	0.4
566.25378	0.4
574.21960	0.6
578.21356	2.9
592.23035	1.0
606.24573	1.3
607.25409	0.8
610.24146	1.4
611.24744	1.0
623.25684	0.5
632.22424	0.4
633.23254	0.8
634.24207	0.5
635.24884	0.4
650.23737	2.0
651.24506	2.8
652.24646	0.5
665.26263	2.5
666.26855	0.5
682.26343	1.9
683.26910	2.0
706.27026	0.9
707.26843	1.1
708.27136	0.4
713.27661	0.5
725.27936	0.6
733.31219	0.5
745.30817	0.6
755.29565	3.3
773.30688	13.8
774.30743	3.0
787.32178	24.0
788.32446	5.5
797.30859	1.1
805.33234	100.0
806.33575	20.6
819.34729	1.7
820.10583	0.6
829.33276	24.1
830.33655	4.5
841.33112	1.2
847.34192	9.3
848.34271	2.0
859.34033	1.8
871.34363	1.6
877.36407	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00896	1.0
71.01273	16.3
71.61533	0.6
72.99223	1.1
73.02837	1.2
83.01248	1.8
85.02843	4.2
85.40771	0.5
87.00752	1.9
89.02334	9.2
94.06532	0.6
95.01284	1.8
96.95905	0.9
97.02844	0.6
99.00765	1.2
101.02350	8.0
106.06515	3.7
107.03676	0.9
109.02852	1.0
113.02351	4.7
119.03407	3.8
120.08117	5.9
122.06034	13.8
123.00784	0.7
123.04371	0.6
125.02379	6.7
126.02659	0.7
132.04453	1.4
134.06047	24.1
136.07585	1.1
137.02359	1.9
140.44269	0.5
143.03439	0.5
145.02904	0.5
148.04065	0.5
148.07600	1.2
150.03171	0.9
150.05573	1.0
151.03946	1.1
152.07106	5.9
160.03983	0.6
161.02341	2.0
161.04590	0.7
163.04005	0.7
164.01062	1.3
165.01880	0.8
169.01343	3.2
174.05513	0.8
175.02426	0.6
177.01913	1.5
179.05528	0.6
189.01878	0.5
190.05022	3.4
201.01884	0.9
211.08678	0.8
211.12367	0.7
213.05350	0.5
221.08997	0.6
221.10814	3.5
223.08727	2.4
223.12302	0.8
224.09468	1.6
225.10295	1.2
235.08731	0.8
235.12314	0.7
236.09470	1.1
237.10345	3.8
238.11124	1.1
239.11874	4.5
241.13478	1.0
249.06607	1.1
249.10388	2.0
251.08238	2.7
251.11952	4.7
252.12598	1.0
253.13507	1.1
261.10425	1.1
263.08295	4.5
263.11810	1.1
264.09061	7.7
264.12128	0.8
265.09814	6.7
269.12946	2.1
271.10992	1.2
273.00330	0.6
274.48230	0.5
275.01987	0.9
275.08389	0.8
276.09021	1.7
277.09891	5.3
277.91702	0.5
278.10648	2.3
279.11435	17.8
280.11957	3.4
281.12894	1.5
285.12561	0.8
287.05634	0.9
289.07138	1.8
289.10059	0.8
291.11472	6.2
292.12253	3.3
293.09616	0.8
293.13010	1.3
294.13702	0.7
295.11038	1.1
300.99954	4.6
302.00327	0.8
305.09329	5.2
306.09982	0.8
307.10962	1.6
309.08810	0.6
309.12335	1.0
311.13977	0.6
314.12622	2.6
317.09531	0.5
321.12390	0.6
323.10400	2.8
324.11172	1.7
325.11975	0.8
326.12854	0.8
337.12048	3.1
338.12720	1.1
342.12668	0.7
342.16290	3.2
343.16644	0.6
349.98755	0.6
355.13168	0.9
358.19467	1.1
360.17279	1.0
370.15668	1.1
372.16989	1.0
384.17184	1.7
385.17865	0.8
386.14813	1.3
386.18854	1.6
400.16263	0.9
401.21402	1.1
402.18283	1.2
411.15308	0.8
412.16684	1.0
414.18649	1.0
426.18240	2.6
427.18793	0.8
428.15829	1.2
430.17804	1.6
431.18506	0.6
433.20221	0.7
440.16080	0.8
443.18356	0.6
444.19342	2.0
445.19809	0.8
446.17191	1.2
454.17661	0.9
459.17825	1.3
460.18732	1.0
462.20441	1.7
471.18176	1.6
472.19049	2.4
473.19705	2.1
474.19931	0.6
475.17075	0.7
483.18829	3.4
488.18668	1.0
490.20108	5.0
491.20395	1.2
517.18640	0.8
518.19122	0.6
532.20819	1.2
551.23212	0.6
564.23553	0.8
565.24292	0.7
575.22693	1.1
578.24146	0.7
593.23999	0.5
604.22980	1.4
606.24768	2.4
607.25897	0.9
610.23938	0.7
623.24658	1.2
632.22437	2.7
633.23315	2.7
634.24017	0.7
650.23657	2.9
651.24353	3.7
656.90662	0.5
664.25403	5.2
665.26685	0.7
682.26501	7.8
683.26764	1.8
713.28333	0.7
724.27118	1.4
745.30493	1.0
746.31622	0.8
755.29749	8.8
756.29437	1.8
769.69928	0.5
773.30554	54.8
774.30829	11.4
787.32233	9.5
788.32764	1.8
805.33191	100.0
806.33600	22.5
815.32056	0.9
847.34222	6.1
848.34503	1.6
935.35748	1.7
967.37714	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
71.60881	1.0
93.03340	0.6
95.01280	1.5
105.03322	1.0
107.01289	0.7
111.00735	2.3
117.03351	1.9
119.04922	1.5
121.02819	1.5
123.00780	1.4
125.02357	3.4
129.03339	0.8
131.01285	1.2
132.02011	0.5
133.02852	3.1
135.04424	0.9
137.02315	0.6
139.00262	2.2
145.02902	5.9
147.00787	1.2
147.04422	1.7
149.02318	1.0
157.02863	1.0
159.00774	1.3
159.04391	1.1
160.01546	0.7
161.02393	6.8
163.00285	1.4
163.03978	3.2
165.01898	0.7
166.99785	2.0
169.01419	4.5
171.00774	1.8
172.01537	0.7
173.02402	7.2
175.00285	0.9
175.03905	1.8
176.01060	1.1
176.53940	0.6
177.01909	2.9
178.02367	0.8
179.03438	0.9
182.99309	2.6
184.00049	1.2
185.00917	0.8
185.02298	2.5
187.00337	4.0
187.03889	0.7
188.00911	0.8
189.01917	8.5
190.02536	1.5
191.03532	3.8
193.01450	0.6
199.00267	1.3
200.01074	1.2
201.01950	4.9
202.02354	0.7
202.99820	1.2
203.03441	2.0
204.00618	0.7
205.01398	4.8
207.02884	0.9
210.47191	0.6
214.99857	5.4
216.00563	1.5
217.01434	9.6
218.01915	0.8
219.02937	2.3
226.99883	1.6
229.01401	5.9
230.01855	0.8
230.99324	2.9
231.02937	1.9
232.00012	1.0
233.00929	3.5
234.01331	0.8
242.99365	8.5
244.00067	1.5
245.00943	13.4
246.01595	0.9
247.02524	7.0
248.02783	0.7
249.04065	1.4
254.99310	0.9
257.01010	3.3
258.01614	1.0
258.98810	1.9
259.99561	1.1
261.00449	7.5
262.00601	0.7
263.01962	1.9
270.98911	20.2
271.99417	3.1
273.00470	19.7
274.00906	3.0
274.99200	1.1
275.02036	9.7
276.02139	1.1
283.99677	2.7
285.00272	0.7
286.98413	5.4
288.96988	0.8
289.00000	9.3
290.00409	1.1
291.01523	5.0
298.98395	32.0
299.99084	10.2
300.99951	85.7
302.00296	7.4
303.00510	1.7
313.00201	0.6
314.97922	6.2
315.01413	0.7
315.98599	4.8
316.99442	100.0
317.99918	4.4
319.01025	0.8
348.96863	0.6
417.04752	0.7
433.04138	1.0
435.05920	1.1
443.02496	0.6
445.04135	2.5
461.03812	2.9
462.03317	0.6
463.05145	2.7
479.04773	2.5
594.03723	0.6
613.04944	1.0
631.05908	0.6
719.05066	0.7
735.05463	1.1
763.04797	1.2
765.06854	0.6
781.05878	1.6
781.48340	0.7
799.06897	1.2
903.06635	0.7
913.03802	0.7
935.08447	1.2
949.05896	4.9
950.07019	1.0
967.09106	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	965.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35571	1.5
95.01290	0.8
96.22172	0.2
101.03909	0.3
105.03344	0.3
107.01286	0.2
109.02837	0.3
111.00787	0.2
117.03400	1.1
119.04923	0.4
121.02879	0.2
123.00793	1.7
123.01691	0.2
123.82064	0.2
124.01531	0.2
125.02380	2.7
127.61895	0.1
129.03409	0.4
131.01242	0.2
132.02109	0.3
133.02863	0.9
135.04468	0.2
137.02403	0.3
143.01341	0.2
143.04987	0.2
145.02884	3.4
146.03325	0.3
147.00778	0.4
147.04475	1.0
149.02380	0.5
151.00258	0.4
157.02942	0.7
157.06567	0.2
159.00789	0.4
159.04477	0.8
160.01637	0.5
161.02393	2.9
162.03104	0.5
163.00325	0.4
163.03943	1.2
164.01106	0.2
164.04416	0.2
166.99823	1.0
169.01396	3.9
171.00829	0.6
172.01605	0.4
173.02402	3.3
174.03043	0.4
175.00352	0.4
175.03984	1.1
176.01155	0.3
177.01895	1.2
178.99860	0.8
185.02428	2.3
187.00334	1.3
187.03981	0.4
188.01050	0.5
189.01904	4.0
190.02676	2.2
190.99815	0.5
191.03503	1.8
192.00586	0.2
192.03938	0.2
193.01381	0.3
199.00378	0.6
200.01147	0.6
201.01915	4.7
202.02521	0.3
202.99831	0.2
203.03477	2.2
204.03992	0.2
205.01364	0.6
207.02969	0.2
211.04005	0.3
213.01950	0.8
213.05429	0.2
214.02690	0.2
214.99908	1.4
215.03459	0.2
216.00616	1.3
217.01421	6.6
218.02060	1.0
218.99364	0.3
219.02940	0.9
221.04587	0.3
222.01651	0.2
226.99876	0.8
227.03517	0.4
228.00554	0.7
229.01440	6.4
229.04976	0.3
230.02042	0.6
230.99416	0.3
231.02998	2.3
232.00089	0.2
233.00946	0.5
233.04544	0.4
235.02589	0.2
239.03519	0.2
241.01361	0.3
242.99330	2.0
243.03082	0.5
244.00153	1.8
245.00945	9.1
246.01576	1.0
247.02530	2.2
248.03177	0.3
249.04045	2.5
254.99374	0.7
257.00952	3.9
258.01663	1.0
258.99167	0.2
259.02475	0.8
259.99710	0.6
261.00452	1.4
261.04071	0.3
263.01895	0.2
269.01151	0.2
270.98923	7.5
271.99603	1.7
273.00479	12.9
274.01184	1.8
275.02042	9.7
276.02435	0.8
277.03510	0.8
281.04623	0.3
283.02661	0.2
283.99741	1.8
285.00262	0.2
285.03897	0.2
286.04285	0.2
286.98737	0.3
287.02057	0.9
288.02982	0.2
288.99994	0.5
290.00803	0.2
291.01627	0.7
295.02490	0.2
297.00714	0.2
297.04111	0.2
298.98419	9.4
299.01813	0.3
299.99142	6.1
300.99957	100.0
302.00284	6.4
303.01575	1.1
305.03070	1.4
312.99930	0.3
314.00659	0.2
315.01453	0.6
315.52509	0.2
316.99490	1.6
319.00986	0.4
331.00998	1.5
340.99408	0.2
343.00842	0.5
349.02121	2.8
405.04843	0.2
417.04465	0.4
433.04221	0.7
443.02615	0.5
443.08652	0.2
445.04263	1.9
461.03726	2.3
463.05212	1.9
493.06287	0.9
559.07037	0.2
569.05792	0.3
587.08124	0.2
613.04620	1.1
614.57086	0.2
615.06378	0.3
631.06104	0.5
747.04669	0.2
763.04022	0.2
765.05939	0.8
795.07562	0.2
915.05353	0.5
933.06647	9.8
934.06927	1.7
965.09253	7.1
966.09686	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.478
Annotation	Unknow
Peak:m/z	Relative Intensity
70.60713	20.0
71.01283	74.3
80.66165	21.8
92.86624	27.9
96.95923	35.4
113.02351	33.4
125.02338	54.2
152.99712	22.9
197.66626	25.2
201.51234	22.5
207.10194	62.1
209.11772	51.3
211.13196	22.8
225.11333	50.7
228.12929	23.8
229.84935	43.4
247.09451	45.7
255.32599	24.1
277.21729	100.0
397.13367	42.3
883.47131	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01779	0.2
69.03354	0.1
69.49178	0.6
71.01272	0.1
75.02307	0.1
81.03362	0.1
85.02835	0.1
89.03865	0.3
91.01799	0.1
91.05434	0.1
93.03365	0.2
93.35417	0.1
95.01289	1.2
96.01647	0.1
97.02860	0.2
101.03861	0.3
105.03385	0.3
107.01289	0.2
107.04893	0.1
108.02079	0.1
109.02843	0.2
110.10796	0.1
111.00788	0.1
113.02332	0.1
115.01788	0.2
116.05869	0.1
117.03381	1.5
118.03738	0.1
119.01302	0.3
119.04926	0.5
121.02893	0.4
122.99903	0.1
123.00803	2.2
123.04395	0.1
124.01548	0.2
125.02367	2.8
129.03398	0.6
131.01323	0.3
131.04921	0.2
132.02124	0.4
133.02887	1.6
135.04440	0.4
136.01613	0.1
137.02374	0.2
139.00278	0.2
141.01817	0.1
141.03394	0.2
143.01334	0.5
144.02101	0.1
145.02885	4.7
146.03397	0.1
147.00786	0.3
147.04459	1.2
148.01620	0.2
149.02415	0.5
151.00298	0.3
151.03964	0.1
155.01443	0.1
157.02896	1.1
158.03635	0.2
159.00842	0.5
159.04491	0.6
160.01601	0.5
161.02393	3.7
161.99548	0.1
162.03082	0.4
163.00333	0.6
163.02676	0.1
163.03954	2.0
164.01097	0.2
165.01881	0.2
166.99834	1.0
167.04968	0.1
169.01398	2.6
169.02798	0.2
171.00856	0.9
171.04477	0.2
172.01601	0.5
173.02405	4.7
174.03082	0.4
175.00352	0.3
175.03947	1.4
176.01105	0.3
177.01915	1.2
178.99857	0.5
179.03444	0.5
183.00932	0.1
183.04517	0.1
184.01602	0.1
185.02417	3.1
186.02954	0.2
187.00349	1.6
187.03999	0.3
188.01030	0.6
189.01906	4.8
190.02647	1.4
190.99881	0.4
191.03479	1.8
192.00620	0.2
192.03810	0.2
193.01366	0.3
194.99341	0.1
195.04500	0.2
197.06090	0.1
198.03188	0.1
199.00354	0.8
199.04016	0.2
200.01115	0.9
201.01917	5.0
202.02380	0.4
202.99834	0.2
203.03488	2.2
204.00655	0.2
204.03935	0.1
205.01488	0.6
205.05122	0.1
206.02122	0.2
207.02902	0.2
209.00874	0.1
209.06117	0.1
211.04050	0.3
212.01021	0.2
213.01927	0.8
214.02618	0.2
214.99870	1.9
215.03473	0.3
216.00627	1.3
217.01424	6.6
218.02037	0.8
218.97426	0.1
218.99438	0.2
219.02979	1.0
220.03392	0.1
221.00908	0.1
221.04555	0.1
223.04071	0.2
225.01932	0.1
225.05635	0.1
226.02826	0.1
226.99895	1.3
227.03516	0.3
228.00606	0.9
229.01437	7.5
230.01967	0.8
230.99339	0.2
231.03032	1.8
232.00124	0.1
232.03464	0.1
233.00925	0.5
233.04547	0.2
234.01630	0.1
235.02484	0.2
239.03464	0.2
240.00626	0.2
240.04327	0.1
241.01421	0.2
241.05153	0.2
242.02235	0.2
242.99370	3.4
243.03107	0.3
244.00116	1.6
245.00940	11.9
246.01480	0.9
247.02502	2.0
248.03165	0.4
249.04068	1.9
250.04408	0.1
253.01578	0.1
253.04982	0.1
254.99396	0.6
255.03047	0.2
256.00073	0.2
256.03793	0.1
257.00958	4.6
258.01642	1.0
258.98984	0.1
259.02481	0.5
259.99622	0.2
260.03049	0.1
261.00476	1.4
262.00867	0.1
263.01880	0.2
267.02881	0.1
269.00858	0.2
269.04498	0.1
270.01700	0.1
270.98911	9.5
271.99539	1.4
273.00473	15.2
274.01056	1.8
275.02029	9.2
276.02338	0.6
277.03564	0.2
281.04721	0.2
282.01688	0.1
282.98883	0.2
283.02460	0.2
283.99695	2.6
284.02850	0.1
285.00360	0.4
285.03769	0.1
286.98361	0.3
287.01935	0.4
287.98914	0.1
289.00031	0.6
290.00705	0.3
291.01474	0.9
295.02426	0.1
298.01300	0.2
298.98416	9.6
299.99158	6.9
300.99954	100.0
302.00293	5.9
303.01413	0.2
305.03033	0.5
311.02072	0.2
312.02722	0.1
312.99924	0.2
313.03476	0.1
314.00778	0.2
315.01535	0.5
316.99478	1.7
317.99863	0.2
319.00989	0.3
323.01996	0.1
327.01596	0.1
329.02902	0.1
331.01083	0.4
340.99396	0.1
341.03125	0.1
343.01053	0.4
343.04510	0.1
349.02023	0.8
360.04315	0.1
371.03928	0.1
383.04269	0.1
389.05185	0.2
405.04681	0.3
417.04916	0.3
419.06387	0.2
433.04352	0.5
443.02646	0.8
445.04239	1.6
446.04819	0.1
461.03757	2.2
463.05292	1.8
464.05710	0.1
479.04770	0.1
490.17819	0.1
493.06293	0.3
569.05713	0.3
587.06976	0.1
597.05200	0.1
613.04895	1.1
614.05023	0.1
615.06073	0.4
631.06219	0.4
745.03656	0.1
747.04767	0.1
763.04462	0.2
765.06110	0.6
897.04309	0.2
905.06592	0.2
915.05872	0.4
933.06622	7.8
934.06958	1.5
934.25006	0.1
965.09198	5.3
966.09314	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03347	1.1
69.35489	0.3
71.01273	15.3
72.99194	0.8
73.02832	1.7
76.59914	0.3
81.03346	0.7
83.01266	1.3
85.02847	3.6
87.00777	3.5
89.02336	12.9
91.41425	0.3
95.01289	1.2
96.95887	0.5
97.02872	2.4
98.19789	1.2
99.00793	0.7
101.02347	10.7
101.26720	0.5
111.04430	0.8
113.02358	7.0
119.03410	3.0
121.02869	0.5
122.02523	0.3
125.02363	4.9
131.03442	0.7
141.01683	1.6
143.03418	2.7
149.04501	0.5
161.04488	3.5
167.14330	0.6
179.05566	3.7
183.13860	6.5
193.12273	1.4
211.13387	100.0
212.13710	6.0
217.07225	1.3
221.06679	1.2
235.08252	4.5
237.90115	0.4
253.09293	0.5
253.14467	0.5
259.08264	1.2
263.08038	0.4
270.68283	0.4
277.21777	47.4
278.22122	4.2
287.07721	2.1
291.23526	0.6
301.09338	0.6
305.08801	1.9
323.09961	1.2
361.11255	0.6
379.12543	13.4
380.13220	1.0
397.13602	37.3
398.13943	2.5
415.14694	6.1
489.35956	1.0
591.26727	12.1
592.27277	2.2
609.27826	11.5
610.28186	1.9
657.35089	2.6
658.35394	0.9
675.36078	3.5
869.49286	2.9
870.49994	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5403
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03349	1.6
70.11530	1.3
70.11937	1.1
71.01273	18.2
72.99204	1.7
73.02834	2.2
75.00766	0.8
78.95790	0.6
79.95693	0.4
81.03359	0.7
83.01273	2.1
85.02840	3.9
87.00774	3.8
89.02338	15.5
95.01299	1.3
96.95912	7.9
97.02867	2.9
99.00787	1.1
101.02348	13.8
109.02915	0.7
111.04424	0.7
113.02368	7.5
119.03437	4.4
120.42641	0.4
121.02785	0.5
125.02373	7.3
125.95282	0.4
131.03426	0.9
132.60852	0.4
133.05017	0.5
137.02330	0.4
139.03889	0.5
143.03456	2.6
161.04466	3.7
167.03384	0.7
167.10791	0.6
167.14328	0.7
179.05562	3.5
183.13882	6.3
185.04581	0.5
193.12354	2.2
199.06085	0.5
211.13393	100.0
212.13745	5.0
217.07199	1.3
221.06699	1.5
235.08232	5.4
253.09312	0.8
259.08200	1.0
260.01624	0.5
277.21793	62.7
278.22162	4.7
279.52002	0.5
287.07846	2.1
305.08850	1.8
323.09943	1.7
379.12561	13.9
380.13028	1.0
397.13611	42.1
398.13983	2.7
415.14673	8.7
591.26721	9.4
592.27100	1.8
609.27789	6.0
610.27814	1.3
657.34998	4.4
675.36084	6.4
676.36169	1.7
816.61261	0.5
869.49451	2.4
870.49536	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.134
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01783	1.8
67.57249	0.2
68.99705	0.3
69.03351	1.9
71.01274	3.0
71.59539	0.4
72.99219	0.7
73.02858	0.4
79.01786	1.1
81.03352	1.0
83.01277	1.4
85.02848	1.7
87.00780	0.6
91.05448	0.4
93.03374	1.1
95.01290	6.5
95.04947	0.4
97.02863	2.7
101.02368	1.4
105.03398	0.5
107.01297	7.6
107.04950	1.0
109.02876	1.5
109.99995	0.6
111.00797	2.9
113.02371	1.7
117.03396	0.9
119.04967	0.7
121.02866	1.3
123.00809	17.0
123.04436	0.9
124.01640	3.0
125.02372	80.5
126.02723	2.3
127.00311	0.9
131.04933	0.4
133.02896	0.7
134.03625	0.2
135.04453	1.1
136.98770	1.6
137.02385	2.8
138.03131	0.6
139.00314	5.0
139.03969	0.6
140.01100	4.9
141.01907	1.4
143.03462	0.6
145.02853	1.7
147.04443	0.8
149.02400	1.6
150.03108	0.3
151.00330	4.5
151.03917	2.0
153.01875	1.1
154.99826	0.5
159.04471	0.8
160.01543	0.3
161.02391	4.0
161.06041	0.4
162.03239	0.4
163.00336	0.3
163.03976	1.8
164.01106	0.8
165.01915	2.4
165.05586	0.6
166.02666	0.8
166.99835	5.5
167.03506	1.6
168.00604	8.4
169.01385	92.9
170.01729	2.6
172.25313	0.3
173.02435	0.7
175.00441	0.2
175.02606	0.2
175.03931	1.4
176.01138	0.3
177.01917	2.8
177.05511	0.7
179.03471	6.9
180.03899	0.4
181.01466	1.0
183.02966	0.3
187.03975	1.0
188.04770	0.3
189.01930	1.0
189.05498	0.4
190.02718	0.5
191.03506	2.7
192.00600	0.5
192.04141	0.3
193.01424	4.4
193.05029	1.1
194.99446	0.5
195.02983	0.7
203.03448	1.3
205.01396	1.6
205.05034	1.5
206.02063	0.6
207.03001	3.3
209.00906	0.3
209.11826	0.3
211.02475	5.9
211.04391	0.5
212.02826	0.3
215.03546	1.0
217.01454	0.5
219.03026	0.5
221.00975	2.0
221.04509	2.5
223.02505	1.0
233.04524	1.5
235.02513	3.0
237.03986	0.3
241.03453	2.1
243.18637	0.3
247.02698	0.3
249.04060	0.5
251.05713	1.1
253.03519	0.5
267.05139	0.6
269.98016	0.8
277.03540	1.3
279.05222	3.1
285.00684	1.2
285.03577	0.4
287.05753	0.6
289.07254	0.9
295.04666	7.7
296.05136	0.3
297.06262	0.7
297.97610	2.8
298.98325	0.6
301.00034	1.6
301.03052	0.2
302.00357	0.3
303.04840	0.3
313.00204	5.1
313.05737	18.6
314.00452	0.8
314.06061	0.9
328.02249	4.1
329.02988	1.0
343.04568	1.6
398.79730	0.3
403.06799	5.5
404.07401	0.6
421.07748	1.5
447.05780	8.9
448.06128	1.4
449.07452	3.1
465.06830	29.6
466.07291	2.9
529.10333	0.3
573.09064	7.5
574.09576	0.7
605.86285	0.3
617.07990	100.0
618.08337	12.6
791.11420	0.8
792.33282	0.3
809.12152	0.9
961.13745	2.5
961.33038	0.4
961.40405	0.5
962.13171	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01767	0.5
68.99699	0.2
69.03345	0.3
69.35213	0.2
69.35625	0.7
71.01273	1.4
72.99192	0.3
73.02840	0.4
79.01798	0.6
81.03349	0.1
83.01285	0.5
83.96297	0.1
85.02842	0.9
87.00769	0.3
89.02343	0.3
90.63427	0.1
95.01290	1.0
97.02859	0.4
98.20536	0.2
99.00787	0.2
101.02338	1.1
106.65968	0.1
107.01305	2.0
107.04891	0.1
109.02861	0.2
110.00003	0.2
111.00790	1.3
113.02348	0.4
117.03394	0.3
119.04910	0.2
120.46933	0.1
123.00803	8.6
123.04413	0.2
124.01685	0.5
125.02370	9.5
126.02699	0.3
127.00326	0.3
133.02875	0.1
135.04449	0.2
136.98750	0.8
137.02364	0.2
137.09566	0.1
139.00311	2.5
140.01105	2.0
141.01874	1.0
145.02896	0.3
149.02374	0.2
151.00311	5.9
151.03944	0.3
152.00577	0.2
153.01874	0.4
154.99792	0.3
160.68706	0.1
161.02344	0.6
163.03944	0.4
165.05667	0.1
166.99797	0.2
167.03423	0.4
167.04716	0.1
168.00598	1.9
169.01385	11.0
170.01743	0.3
172.01538	0.1
173.02394	0.4
175.02502	0.2
175.03917	0.2
177.01868	0.2
177.04027	0.1
179.03505	0.3
181.04990	0.3
185.02443	0.3
189.01935	0.4
190.02638	0.2
191.03462	0.3
199.00291	0.1
201.01982	0.5
203.03468	0.1
205.01349	0.2
209.15399	0.3
211.02504	0.9
212.02756	0.1
215.03778	0.1
216.00566	0.1
217.01422	0.6
218.02228	0.1
223.02492	0.1
226.99919	0.1
228.00452	0.1
229.01495	0.7
231.03040	0.2
242.99345	0.1
244.00078	0.1
245.00970	1.0
246.01213	0.1
249.04131	0.2
253.03450	0.2
257.00925	0.4
270.98904	0.4
271.04593	0.9
272.05008	0.2
273.00488	1.2
273.07755	0.5
275.01974	1.0
283.99503	0.4
287.05917	0.1
289.07297	0.1
298.98462	0.7
299.01468	0.1
299.99207	0.7
300.99960	10.7
302.00342	1.0
313.05783	1.1
331.00992	0.2
349.02139	0.3
380.50168	0.1
435.12848	0.2
461.04047	0.2
521.20282	0.3
522.21222	0.7
523.21954	100.0
524.22284	10.9
525.22363	0.3
526.22803	0.1
694.71759	0.1
795.07574	0.1
959.12164	0.3
960.10913	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	959.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01278	0.2
71.60086	0.2
77.78248	0.1
79.01786	0.3
89.02296	0.2
89.03874	0.2
93.03368	0.2
95.01273	0.5
95.04906	0.1
96.95876	0.2
97.02820	0.2
101.03881	0.2
103.01861	0.1
104.35118	0.1
105.03372	0.3
108.02069	0.2
109.02879	0.2
111.00797	0.3
115.00318	0.1
117.03365	1.3
119.01263	0.2
119.04941	1.1
121.02843	0.3
123.00821	1.4
123.04413	0.3
124.01585	0.1
125.02374	1.8
129.03371	0.5
131.01315	0.2
131.04955	0.2
132.02121	0.4
133.02867	1.3
135.04453	0.3
137.02393	0.4
139.00287	0.2
141.03389	0.2
143.01318	0.3
145.02892	3.9
146.03241	0.1
147.00768	0.2
147.04430	0.8
148.01590	0.2
149.02446	0.6
151.00282	0.4
151.03951	0.2
157.02911	0.8
158.03632	0.2
159.00858	0.3
159.04474	0.7
160.01599	0.5
161.02393	3.1
161.05995	0.2
162.03189	0.6
163.00328	0.5
163.03958	2.0
164.01057	0.2
165.01868	0.2
168.00580	0.2
169.01390	1.7
170.01659	0.2
171.00822	0.6
171.04422	0.2
172.01558	0.4
173.02402	3.6
174.03143	0.6
174.04449	0.1
175.00288	0.4
175.02623	0.2
175.03964	1.2
176.01190	0.1
177.01910	1.1
177.05434	0.1
178.99796	1.1
179.03436	0.4
180.26010	0.1
185.02409	3.0
186.03044	0.2
187.00378	0.9
187.03951	0.4
188.01083	0.3
189.01906	3.8
190.02675	2.4
190.99840	0.3
191.03448	1.5
199.00363	0.7
199.03992	0.2
200.01080	0.6
201.01924	4.3
202.02466	0.5
202.99722	0.2
203.03493	1.9
204.00696	0.2
204.04092	0.1
205.01430	0.6
205.05032	0.2
206.02060	0.2
207.02963	0.2
209.05984	0.1
211.02438	0.7
211.04187	0.1
212.02885	0.2
213.01843	0.6
214.99855	1.1
215.03520	0.2
216.00653	1.1
217.01414	5.8
218.02055	0.9
218.99303	0.1
219.02917	0.8
221.04494	0.2
222.01781	0.2
226.99863	0.9
227.03444	0.2
228.00658	0.9
229.01430	6.0
230.02046	0.5
230.99373	0.3
231.03021	1.4
232.00133	0.1
233.00951	0.6
233.04581	0.3
234.01646	0.2
240.49777	0.1
242.99371	1.5
243.03072	0.3
244.00148	1.4
245.00946	8.3
246.01559	0.8
247.02478	1.3
248.03122	0.4
249.04031	1.8
254.99365	0.5
255.03044	0.2
256.00125	0.2
257.00967	3.7
258.01694	0.9
258.04190	0.1
259.02542	0.3
259.99731	0.3
261.00449	1.0
261.03912	0.2
263.01910	0.2
270.98923	3.9
271.04666	1.4
271.99603	1.1
272.05051	0.2
273.00464	10.7
274.01126	1.2
275.02039	8.2
276.02432	0.6
277.03442	0.8
283.99710	2.3
285.00345	0.2
287.01981	0.8
289.00018	0.4
289.07233	0.2
290.00732	0.3
291.01456	0.5
297.00403	0.1
298.01230	0.2
298.98425	4.3
299.01883	0.2
299.99176	4.8
300.99951	100.0
302.00293	6.4
303.01547	0.9
305.03104	1.6
312.76447	0.1
314.00873	0.2
315.01617	0.4
316.99423	1.8
319.00995	0.4
321.02698	0.3
325.03796	0.1
331.01035	2.1
331.05130	0.2
331.06897	0.3
332.01218	0.2
332.07059	0.2
340.99445	0.2
347.00455	0.2
349.02081	4.0
389.05203	0.2
405.05054	0.2
417.04663	0.4
433.04053	0.6
443.02667	0.2
445.03915	0.2
449.07385	0.2
461.03610	1.0
475.05405	0.4
493.06378	1.9
494.06976	0.2
521.20490	0.6
522.20673	0.6
523.21753	1.7
625.08044	0.5
637.68494	0.1
657.11212	0.1
763.04205	0.2
795.07214	1.0
796.07239	0.2
891.05096	0.1
909.07739	0.1
919.19135	0.1
927.09290	0.8
959.11835	5.5
960.11945	1.4
984.29968	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	955.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33933	0.9
69.34354	1.8
70.27899	0.3
75.98357	0.3
80.06493	0.2
95.71205	0.3
96.35248	0.3
96.35813	0.3
109.02880	0.3
119.04942	0.6
121.02834	0.3
123.00813	0.3
125.02347	1.7
137.02335	0.3
145.02910	0.3
149.02434	0.4
150.58754	0.3
151.03893	0.4
161.02437	0.6
163.04034	0.3
169.01353	1.1
173.02328	0.3
175.04036	0.5
177.01971	0.6
185.02312	0.3
202.99911	0.3
203.03464	0.8
205.05042	0.4
213.01849	0.3
214.99745	0.3
228.90907	0.3
229.01472	0.3
230.01871	0.3
231.03241	0.3
242.02133	0.5
242.99359	0.9
244.00101	0.3
245.00957	0.6
247.02347	0.4
257.00943	0.6
258.01703	2.4
270.98904	21.9
271.99326	1.5
275.01923	1.2
276.02325	0.4
280.89243	0.3
283.99677	4.4
285.00458	7.5
286.01212	3.6
297.00436	0.7
298.01151	0.3
298.98392	36.9
299.98972	5.7
300.99933	7.1
302.00287	4.0
303.00522	2.2
304.88284	0.3
312.99954	11.3
314.00745	59.2
315.01178	5.0
429.13815	0.3
445.04251	0.5
462.04315	0.3
477.06802	100.0
478.07108	11.1
585.71863	0.3
608.19092	0.4
937.08453	0.5
955.09839	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
66.80676	0.2
71.01282	0.3
71.38615	0.4
77.09416	0.2
83.01275	0.4
93.03329	0.3
97.02906	0.3
107.01302	2.1
108.02074	0.9
109.02874	0.9
110.04168	0.2
115.62713	0.2
117.22120	0.2
119.01333	0.2
121.02843	1.0
123.00770	0.4
125.02380	3.1
135.00734	0.3
137.02437	0.5
139.00287	0.3
145.02846	0.5
148.01601	1.0
151.00305	7.3
151.03914	0.3
153.01933	0.4
159.04375	0.4
161.02380	0.6
163.00342	1.7
163.03926	0.3
164.01082	0.6
165.01823	0.2
169.01407	3.0
171.04437	0.3
175.03961	0.3
177.01822	0.4
178.99826	4.1
188.90868	0.2
192.00603	0.3
199.03981	0.4
201.01883	0.4
201.05479	0.5
203.03459	0.7
211.03972	0.6
213.01941	0.4
215.03406	0.4
216.04128	0.3
226.02690	0.7
227.03500	1.4
228.03867	0.3
229.05072	0.4
233.96347	0.2
243.03033	5.5
244.03398	0.5
245.04643	1.2
254.02177	1.3
255.03024	15.5
256.03494	1.0
257.04465	0.3
269.98108	0.4
271.02530	32.5
272.02966	3.0
273.04108	0.8
275.01953	0.5
283.02597	1.0
285.00357	0.5
287.01904	0.4
289.07358	0.5
297.97629	0.4
298.98642	0.4
299.02002	0.9
300.02817	68.2
300.99985	2.0
301.03522	34.7
302.00375	0.8
302.03909	2.1
303.00696	0.3
312.99979	1.0
313.05753	0.8
314.00687	0.5
315.01523	0.9
316.02295	2.1
317.03015	0.5
328.02310	0.9
343.04663	0.4
380.62720	0.3
463.08939	100.0
464.09262	9.9
464.15851	0.5
477.05695	0.4
477.10449	1.8
478.10437	0.2
491.08252	1.0
504.33890	0.3
577.44086	0.3
680.84930	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03334	1.3
70.04487	1.3
70.04879	1.9
71.26361	0.6
79.01800	0.7
85.00341	0.7
87.70060	0.6
87.83340	0.7
89.03863	0.8
93.03346	1.3
95.01290	7.8
95.04948	0.7
95.97250	0.7
97.02848	1.1
101.03860	0.7
105.03294	0.8
107.01301	6.4
109.02890	1.0
111.00790	1.8
117.03387	4.8
117.08899	0.6
119.04941	2.4
121.02857	1.7
123.00806	14.1
124.01583	1.3
125.02377	42.6
126.02713	1.0
128.08859	0.7
129.03369	1.5
131.04950	1.4
133.02905	4.5
135.04468	0.9
136.98779	0.9
137.02362	2.4
138.03033	0.6
139.00294	2.1
140.01111	1.5
141.01872	1.3
143.01328	1.7
145.02901	12.1
147.00809	0.8
147.04443	3.6
149.02345	3.0
150.03108	0.7
151.00310	1.9
151.03839	0.9
157.02888	3.6
158.03609	0.7
159.00813	1.5
159.04445	1.8
160.01601	1.5
161.02393	10.9
161.06006	1.1
162.03160	0.9
163.00342	3.9
163.03987	6.1
164.01088	1.4
165.01859	2.3
166.99809	4.6
168.00598	3.1
169.01389	44.8
170.01744	1.6
171.00818	4.8
171.04471	0.9
172.01648	1.7
173.02405	14.2
174.03090	1.0
175.00357	1.0
175.02704	0.6
175.03954	4.4
176.01102	1.7
177.01938	4.5
179.03467	1.4
185.02402	2.9
187.00302	2.3
187.03972	1.4
188.01054	0.8
189.01898	13.3
190.02699	3.9
190.99808	1.4
191.03481	9.1
191.05148	1.1
192.03693	0.9
193.01384	2.5
199.00395	4.1
199.03934	0.7
200.01202	3.2
201.01929	14.3
202.02446	1.4
203.03548	4.8
205.01448	2.7
205.05057	1.4
207.03030	0.9
209.00992	1.2
211.02412	1.6
213.05588	0.8
214.02733	0.9
214.99950	3.2
215.03601	0.9
216.00664	3.8
216.99432	1.1
217.01445	18.5
217.04741	0.9
218.01947	2.1
219.02991	4.2
221.00919	0.8
221.04549	2.1
225.05626	0.7
226.99895	6.8
227.03491	1.5
228.00586	2.3
229.01433	16.9
230.02031	2.6
231.03026	7.4
233.00877	0.9
235.02362	1.0
241.05096	0.8
242.99411	5.2
243.02922	1.1
244.00159	3.5
245.00955	36.3
246.01425	3.5
247.02505	24.5
248.02737	1.5
249.04085	2.0
251.03618	0.8
253.05104	0.8
254.99446	1.9
255.02956	1.5
257.00970	7.1
258.01578	1.3
259.02481	1.6
261.00421	4.4
263.01962	0.9
265.05124	1.5
266.76666	0.8
267.02921	1.8
269.04544	1.1
270.98929	13.6
271.02060	1.2
271.99460	2.8
273.00488	66.0
274.01004	6.9
275.02048	17.1
276.02271	1.5
277.03485	1.0
279.02988	1.5
281.04675	1.4
283.02570	1.5
283.99664	1.8
285.03995	0.7
287.02151	1.1
289.00040	2.5
291.01508	3.7
293.04663	1.1
295.04822	1.5
296.03262	0.8
297.03976	1.0
298.98438	23.0
299.01791	1.3
299.99142	17.1
300.02579	1.1
300.99963	100.0
302.00305	9.4
303.00644	1.4
311.02188	1.6
313.05774	2.3
315.01584	1.7
316.99451	12.0
321.04245	1.1
323.05527	1.0
327.01532	1.8
329.02844	1.3
337.03622	1.0
339.05362	0.9
343.00952	2.4
393.28073	0.7
399.04156	0.7
445.04514	1.2
447.05804	1.0
461.70248	0.8
465.06784	3.3
551.04834	1.4
553.06494	1.7
597.05573	1.5
615.06696	1.8
617.07904	15.7
618.08496	1.7
705.07855	0.7
721.07013	1.1
739.07458	0.9
747.05432	2.8
748.05682	1.1
749.06555	17.4
749.19519	1.3
750.06311	3.7
765.06012	4.0
767.07538	23.4
768.08325	3.5
873.07776	1.0
891.09442	1.5
917.07208	26.1
918.08209	5.6
935.08112	17.8
936.08209	5.2
953.09570	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	953.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
70.63857	0.5
71.01286	0.5
75.02306	0.2
81.03347	0.3
81.93305	0.2
85.02919	0.2
89.03809	0.2
91.05463	0.2
93.03371	0.3
95.01282	0.7
97.02840	0.5
101.03910	0.2
103.05441	0.2
105.03364	0.4
107.01289	0.2
109.02859	0.7
111.00796	0.6
115.05421	0.4
117.03385	0.6
119.04950	0.7
121.02864	0.7
121.06512	0.5
123.00822	1.3
123.04443	0.3
124.01593	0.6
125.02371	4.2
129.03409	0.3
130.04184	0.2
131.01302	0.2
131.04971	0.8
133.02875	0.5
133.06564	0.6
135.04419	0.3
137.02371	2.0
138.03154	0.3
143.04994	0.2
145.02899	1.5
146.03658	0.3
147.00769	0.2
147.04475	2.2
148.01680	0.2
149.02399	2.8
149.06046	1.4
151.03938	0.4
157.02867	0.6
158.03680	0.7
159.04471	2.9
160.01642	0.2
161.02386	1.2
161.06033	1.1
161.37915	0.2
162.03189	0.6
163.00330	1.1
163.03963	1.7
164.01118	0.6
165.01888	1.4
165.05579	0.3
167.03429	0.3
169.01393	5.4
173.02390	2.0
174.03113	0.4
175.00458	0.3
175.03960	5.3
176.01089	0.3
176.04405	0.3
177.01923	2.5
177.05542	2.9
178.02434	0.2
179.07143	0.3
185.02415	2.2
187.03998	1.9
188.01151	0.2
189.01883	1.4
190.02681	1.8
190.99878	1.0
191.03494	2.0
192.00577	0.3
192.03940	0.2
193.01413	4.1
193.05064	1.0
194.01849	0.3
201.01912	2.0
202.02448	0.3
203.01556	0.3
203.03497	9.1
204.04007	0.7
205.01454	2.3
205.05052	9.8
206.05426	0.5
208.00232	0.2
209.00813	0.3
211.03906	0.2
213.01932	0.7
214.02635	0.2
216.00690	0.4
217.01459	0.8
218.99384	0.7
219.02982	1.4
221.01096	0.2
221.04578	3.1
222.04915	0.2
227.03619	0.3
228.00581	0.2
229.01447	4.6
230.01965	0.5
231.03009	6.6
232.03291	0.3
233.00952	0.4
235.02347	0.2
237.00401	2.6
237.04041	0.2
243.02986	0.3
244.00067	0.4
245.00992	2.5
246.01524	0.3
247.02550	4.5
248.03075	0.6
249.04086	4.1
254.99542	0.3
257.00937	3.7
258.01663	0.9
259.02396	0.2
265.03622	0.9
267.02921	0.2
270.98883	0.4
273.00491	2.2
274.01291	0.9
275.02048	17.6
276.02478	1.1
283.99756	1.8
285.03909	0.3
291.01584	0.7
293.03116	5.2
294.03485	0.4
298.98508	0.6
299.99182	3.3
300.99969	100.0
302.00308	7.2
302.03784	0.3
303.00598	0.3
315.01761	0.3
319.01050	6.2
320.01398	0.6
337.02109	8.3
338.02689	0.5
343.00906	0.3
365.05127	0.3
381.05081	0.8
393.08640	0.3
401.05197	0.3
409.07718	0.3
419.06354	0.6
437.07581	1.0
445.04214	0.8
453.07056	0.3
455.08182	0.2
463.05258	3.8
464.05673	0.3
481.06378	4.5
482.06967	0.3
499.07315	0.6
607.09436	0.2
615.06366	1.5
616.06805	0.3
633.07501	2.9
634.07593	0.5
651.08392	1.3
683.05762	0.5
700.57751	0.2
739.08234	0.4
757.08923	0.3
765.05798	0.4
783.07056	1.7
784.08044	0.3
801.08020	1.2
853.07709	0.6
909.10950	1.1
925.10852	0.2
935.08112	2.7
936.08820	0.3
953.09229	13.4
954.09296	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	951.077
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31107	4.5
83.95745	0.4
93.03311	0.4
95.01302	0.9
98.20490	0.8
105.03325	0.4
116.73004	0.4
117.03391	1.3
119.04947	0.9
123.00795	2.3
125.02384	3.4
131.01311	0.6
133.02884	1.7
137.02371	0.4
145.02892	4.4
147.04459	1.8
149.02370	0.5
157.02904	1.4
159.04478	0.8
161.02393	4.1
163.00278	1.0
163.03964	2.0
165.01854	0.5
166.99785	1.0
169.01352	3.3
171.00900	0.6
172.01572	0.6
173.02408	5.7
174.02774	0.6
175.00249	0.4
175.03970	2.4
177.01857	1.4
185.02437	2.7
186.02791	0.6
187.00363	1.1
189.01900	4.5
190.02649	1.2
190.99796	0.6
191.03479	3.5
199.00304	0.6
200.01080	0.9
201.01915	5.7
203.03542	2.6
213.01956	1.1
214.99924	1.9
216.00623	1.4
217.01428	6.6
218.02147	0.7
218.64305	0.4
219.02908	1.9
221.04631	0.5
226.99902	1.7
227.03474	0.5
228.00592	0.6
229.01459	8.2
230.01949	1.0
231.02940	2.6
233.00874	0.6
242.99394	3.4
244.00107	1.6
245.00938	13.0
245.03450	0.7
246.01627	0.9
247.02527	5.2
249.04019	2.0
254.99472	0.7
257.00958	4.5
258.01608	1.6
261.00504	1.0
269.00964	0.5
270.98914	13.1
271.99426	1.2
273.00482	16.2
274.01132	2.1
275.02054	8.6
276.02466	0.4
283.99719	3.1
285.57629	0.4
289.00034	0.5
291.01517	1.7
298.98407	14.5
299.99213	8.3
300.99966	100.0
302.00281	5.8
315.01465	0.9
316.99524	2.1
343.01089	1.2
417.04688	0.5
433.04333	0.6
435.05722	0.6
443.02866	0.5
445.04333	2.6
446.04944	0.7
461.03897	2.6
463.05133	3.0
464.05676	0.5
569.05847	0.6
578.67407	0.4
613.04785	1.4
615.06836	0.6
670.41620	0.4
685.16595	0.4
748.07306	0.4
763.04279	0.5
765.06567	1.7
915.05829	1.2
933.06604	14.9
934.06787	2.3
951.07336	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01276	0.2
71.10390	0.2
71.10730	0.4
81.24200	0.1
89.03859	0.3
93.03364	0.3
95.01288	1.4
97.02860	0.2
105.03394	0.5
107.01309	0.2
111.00851	0.2
117.03389	1.6
119.01275	0.2
119.04982	0.9
121.02883	0.5
123.00817	2.5
124.01546	0.2
125.02383	2.8
129.03432	0.8
131.01341	0.5
131.04936	0.3
132.02101	0.3
133.02881	1.6
135.04427	0.6
137.02377	0.6
143.01338	0.4
143.04933	0.2
143.33357	0.1
145.02893	5.0
147.00812	0.4
147.04459	1.6
148.01517	0.2
149.02391	0.7
151.00311	0.2
151.03986	0.3
157.01733	0.2
157.02914	1.4
158.03584	0.2
159.00873	0.7
159.04501	0.8
159.05602	0.1
160.01569	0.4
161.02402	4.3
162.02950	0.2
163.00352	1.0
163.03966	2.5
165.01907	0.5
166.99828	1.3
169.01402	2.3
171.00835	1.2
171.04474	0.2
172.01619	0.5
173.02412	5.7
174.03012	0.5
175.00363	0.3
175.03969	2.2
176.01125	0.5
177.01868	1.5
178.99815	0.2
179.03462	0.6
183.04463	0.2
185.02415	3.7
186.02893	0.3
187.00334	2.0
187.03987	0.5
188.01125	0.5
189.01913	5.5
190.02667	1.7
190.99835	0.4
191.03474	3.6
192.00555	0.2
193.01381	0.4
199.00400	0.9
199.04056	0.2
200.01118	1.1
201.01930	5.7
202.02525	0.5
202.99840	0.5
203.03476	2.7
204.03990	0.2
205.01451	0.8
207.02994	0.2
209.01019	0.2
211.03960	0.2
213.01880	0.7
213.05615	0.1
214.02643	0.2
214.99866	2.4
215.03474	0.4
216.00636	1.4
217.01427	8.1
218.02060	0.9
219.03001	1.9
221.04474	0.3
226.99901	1.3
227.03481	0.2
228.00629	1.0
229.01454	9.4
230.01997	0.9
230.99361	0.4
231.02991	2.4
232.00151	0.2
233.00970	0.6
235.02353	0.3
241.01375	0.2
242.02029	0.2
242.99396	5.2
243.03085	0.5
244.00096	1.3
245.00951	12.7
246.01492	1.0
247.02501	5.1
248.02934	0.5
249.04083	2.2
253.01538	0.2
254.99423	0.8
255.03114	0.3
256.00003	0.2
256.04031	0.2
257.00967	6.1
258.01651	1.5
259.02426	0.4
259.99658	0.3
261.00476	1.7
262.00812	0.2
270.98917	15.0
271.99518	1.8
272.02518	0.2
273.00488	16.5
274.01135	2.1
275.02051	10.9
276.02286	0.6
277.03564	0.2
283.02597	0.2
283.99701	2.6
285.00314	0.5
287.02029	0.3
289.00070	0.7
290.00803	0.2
291.01566	1.4
297.00522	0.2
298.98416	15.3
299.99155	9.0
300.99966	100.0
302.00302	7.0
302.03143	0.2
311.02045	0.2
312.99988	0.3
313.03470	0.2
314.00748	0.4
315.01575	0.6
316.99493	1.8
319.00974	0.3
329.03101	0.2
340.99506	0.3
343.00989	0.8
388.65817	0.2
405.04861	0.2
417.04504	0.2
433.04236	0.8
435.05713	0.4
443.02567	0.8
445.04260	2.2
446.04825	0.2
461.03690	2.7
461.09485	0.3
463.05273	3.0
464.05524	0.2
515.10950	0.2
569.05750	0.3
603.06372	0.2
613.04468	1.0
614.05719	0.3
615.07117	0.3
631.05774	0.3
717.62274	0.2
729.04968	0.2
763.04865	0.5
764.05444	0.2
765.06287	1.3
766.05981	0.4
789.76245	0.2
897.04926	0.4
915.05505	0.8
916.06281	0.2
933.06641	11.6
934.07031	2.5
951.08270	1.1
952.08057	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01794	0.3
67.46203	0.1
70.95438	0.4
89.03851	0.3
90.47557	0.1
91.01800	0.2
93.03369	0.2
94.96891	0.1
95.01308	1.4
97.02856	0.1
101.03873	0.3
105.03378	0.3
107.01286	0.2
107.04932	0.2
109.02864	0.3
111.00789	0.4
115.05436	0.2
117.03365	1.5
119.01332	0.2
119.04947	0.7
121.02866	0.2
123.00816	2.1
123.81112	0.1
125.02368	2.9
125.76753	0.1
129.03384	0.5
131.01334	0.4
131.04938	0.3
132.02083	0.3
133.02887	1.6
135.04431	0.4
137.02370	0.7
143.01337	0.5
143.04990	0.2
144.02145	0.2
145.02893	4.9
147.00812	0.5
147.04472	1.7
148.01653	0.2
148.94301	0.2
149.02370	0.6
151.00270	0.2
151.03908	0.3
157.02899	1.3
158.03722	0.3
159.00795	0.6
159.04462	1.1
160.01596	0.5
161.02397	3.2
162.03137	0.3
163.00369	0.8
163.03951	2.3
164.01164	0.4
165.01935	0.3
166.99776	1.4
169.01384	2.2
171.00830	1.0
172.01625	0.4
173.02403	5.1
174.03157	0.4
175.00328	0.3
175.03954	2.1
177.01875	1.1
179.03494	0.4
184.01648	0.2
185.02435	3.1
186.02776	0.2
187.00351	1.6
187.03967	0.6
188.01088	0.6
189.01910	5.2
190.02670	1.4
190.99857	0.3
191.03490	3.3
192.00583	0.2
193.01427	0.4
197.06000	0.1
199.00352	0.9
200.01126	0.7
201.01926	5.7
202.02411	0.5
202.99791	0.5
203.03470	2.6
204.04036	0.3
205.01463	0.8
205.05061	0.2
206.02225	0.2
207.02966	0.4
208.00069	0.2
209.00865	0.2
211.03979	0.3
213.01961	0.7
214.02750	0.3
214.99889	2.4
215.03450	0.4
216.00677	1.5
217.01433	7.0
218.02074	0.6
219.02972	1.8
221.00966	0.2
221.04581	0.3
225.05650	0.2
226.99852	1.4
227.03488	0.4
228.00636	0.9
229.01436	8.0
230.02040	0.6
230.99400	0.3
231.02974	2.2
233.00911	0.7
234.01416	0.2
235.02379	0.2
239.03564	0.3
242.99390	4.5
243.03079	0.6
244.00085	1.3
245.00938	12.2
246.01385	1.1
247.02516	5.1
248.03102	0.6
249.04079	1.9
250.04404	0.2
251.03517	0.2
253.05072	0.2
254.99406	0.6
255.03012	0.3
256.00070	0.3
257.00967	4.7
258.01682	1.1
259.02316	0.3
259.99765	0.3
261.00412	1.4
263.01965	0.3
269.01248	0.2
269.04330	0.2
270.98920	13.6
271.99463	1.6
273.00479	16.9
274.01047	2.3
275.02051	10.3
276.02347	0.9
280.03665	0.2
281.04620	0.2
282.99329	0.2
283.99710	2.3
285.00308	0.4
285.03729	0.2
286.98337	0.3
289.00052	0.5
291.01572	1.3
297.04071	0.2
298.98413	16.2
299.99158	8.5
300.02603	0.4
300.99957	100.0
302.00293	6.5
311.01935	0.2
312.99997	0.4
314.00787	0.2
315.01471	0.7
316.99457	2.2
317.02902	0.3
319.01001	0.5
338.64905	0.2
340.99515	0.2
343.01123	0.8
375.06506	0.2
383.03799	0.2
405.04663	0.3
417.04282	0.2
419.06259	0.2
433.04327	0.7
435.05817	0.3
443.02429	0.8
445.04178	2.3
461.03723	3.0
463.05222	3.4
464.05417	0.2
468.37210	0.2
562.89642	0.2
569.05823	0.4
613.04816	1.2
614.05133	0.3
615.06128	0.4
631.05853	0.3
688.18787	0.2
729.03540	0.2
745.03229	0.2
747.04852	0.3
763.04456	0.5
765.05914	1.5
766.06909	0.2
897.04425	0.5
909.81097	0.2
915.05627	1.0
933.06689	12.0
934.07147	2.9
951.07458	1.1
952.09454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01779	0.2
69.52925	0.4
69.53329	0.9
71.01263	0.3
81.03363	0.3
83.01279	0.4
85.02832	0.3
87.00784	0.3
89.03857	0.2
91.01794	0.4
93.03355	0.4
95.01272	0.8
95.16450	0.2
97.02849	0.3
99.00769	0.4
105.03377	0.3
107.01309	0.8
109.02380	0.1
109.02880	1.4
111.00779	0.3
112.04158	0.2
113.60730	0.2
117.03356	0.8
119.01293	0.6
119.04956	0.5
120.02803	0.1
121.02867	1.3
123.00820	1.3
123.04446	0.2
125.02371	6.7
126.02677	0.2
129.03403	0.3
131.04965	0.2
132.02118	0.2
133.02901	1.0
135.00789	0.5
135.04449	0.5
136.01491	0.2
137.02382	3.7
137.78455	0.2
145.02895	1.9
147.00841	2.1
147.03444	0.2
147.04485	1.0
148.01576	0.3
149.02403	1.3
150.02940	0.2
151.00316	0.4
151.03955	0.4
157.02892	0.7
159.00897	0.2
159.04474	0.6
160.01509	0.3
161.02390	1.3
161.45651	0.2
162.03084	0.2
163.00323	7.2
163.03960	1.6
164.01047	0.8
164.74399	0.2
165.01894	3.8
166.99779	0.4
168.00626	0.2
169.01384	7.1
171.00772	0.2
173.02382	2.6
174.03120	0.4
175.00311	0.9
175.03966	1.7
176.01031	0.2
177.01901	3.2
178.02295	0.2
178.99907	0.2
183.04553	0.3
185.02432	2.7
187.00398	0.3
187.03914	0.3
188.01048	0.2
189.01904	1.5
190.02681	0.6
190.99875	1.8
191.03473	1.8
194.42146	0.2
199.00359	0.2
199.03914	0.2
200.01135	0.4
201.01920	3.4
202.02745	0.5
202.99843	1.6
203.03494	2.2
205.01427	0.5
205.05080	0.3
206.99318	0.7
208.00124	0.6
209.00893	4.2
209.56989	0.2
210.01204	0.2
211.02419	0.2
213.01962	0.4
214.02618	0.3
214.99820	0.4
216.00679	0.5
217.01433	2.7
218.02110	0.5
219.02965	1.2
221.00868	0.7
221.04643	0.3
226.99858	0.5
228.00552	0.4
229.01437	6.0
230.01950	0.5
230.99400	0.3
231.03018	1.6
232.00133	0.2
233.00893	0.5
235.02496	0.2
242.99352	0.5
243.03000	0.3
244.00101	0.8
244.03531	0.2
245.00949	4.6
246.01593	0.6
246.98885	2.0
247.02489	2.7
248.03217	0.5
249.01587	0.2
249.04024	1.8
250.04427	0.2
251.01917	0.4
254.99390	0.3
255.03030	0.3
257.00974	3.7
258.01758	0.8
261.00369	0.3
263.78348	0.2
267.03003	0.3
270.98956	1.6
271.53564	0.2
271.99634	0.6
273.00452	4.8
274.01169	1.0
275.02032	6.4
276.02283	0.4
283.02402	0.2
283.99738	2.7
285.00122	0.3
285.04117	0.2
287.01886	0.2
288.99872	0.2
289.07138	0.4
291.01532	1.2
295.02481	0.3
298.98425	1.7
299.99161	4.3
300.99954	100.0
302.00305	7.1
311.46606	0.2
317.02966	0.2
335.04086	0.3
353.05276	0.3
391.03030	1.0
392.35086	0.2
395.06607	0.2
407.06467	0.3
421.11722	0.2
427.03165	0.2
435.05774	4.6
436.06174	0.4
445.04208	0.3
453.06830	0.7
461.04022	0.2
463.04745	0.2
479.04999	0.5
505.06216	0.4
517.05939	0.3
605.07855	0.8
606.07855	0.2
615.05798	0.2
649.07037	0.6
693.04059	0.5
697.06940	0.7
737.06232	0.5
863.06268	1.0
864.06604	0.2
907.08777	3.6
908.09149	0.8
933.07422	0.9
951.07623	5.1
952.07849	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01810	0.2
69.03364	0.1
71.01320	0.1
89.03880	0.3
91.01823	0.2
93.03421	0.2
95.01290	1.4
97.02831	0.1
98.19824	0.3
101.03926	0.3
105.03433	0.3
107.01350	0.3
107.04968	0.2
108.02098	0.1
111.00803	0.1
117.03376	1.6
119.01283	0.2
119.04942	0.6
121.02930	0.4
123.00802	2.3
123.04481	0.2
124.01705	0.1
125.02371	2.7
125.03220	0.2
129.03456	0.5
131.01363	0.4
131.04984	0.2
132.02153	0.3
133.02901	1.5
135.04492	0.5
137.02429	0.4
143.01369	0.5
143.05045	0.2
145.02887	4.6
146.03209	0.2
147.00882	0.3
147.04448	1.4
148.01633	0.1
149.02364	0.7
151.00305	0.2
151.03972	0.1
157.02896	1.2
158.03644	0.2
159.00806	0.7
159.04448	0.9
160.01567	0.6
161.02403	3.6
161.03712	0.2
162.03113	0.2
163.00307	0.8
163.03958	2.1
164.01134	0.1
164.04523	0.2
165.01906	0.4
166.99797	1.4
169.01395	2.1
169.02792	0.2
171.00868	1.0
171.04579	0.2
172.01614	0.4
173.02399	4.6
174.03151	0.4
175.00366	0.3
175.03958	1.9
176.01161	0.3
177.01888	1.4
177.03281	0.1
178.02313	0.1
178.99857	0.2
179.03529	0.5
183.04475	0.2
184.01701	0.2
185.02409	3.1
187.00334	1.6
187.03981	0.2
188.01091	0.4
189.01906	5.4
190.02618	1.3
190.99873	0.4
191.03479	3.0
192.00729	0.2
193.01436	0.2
199.00363	1.0
199.04089	0.2
200.01111	0.8
201.01918	5.2
202.02649	0.3
202.99875	0.3
203.03476	2.5
204.03828	0.2
205.01477	0.7
207.03020	0.3
209.00874	0.2
211.04163	0.3
212.01193	0.1
213.01939	0.6
214.02722	0.3
214.99878	2.4
215.03445	0.1
216.00574	1.2
217.01414	6.4
218.02113	0.6
219.03029	1.5
221.01009	0.2
221.04573	0.3
223.04012	0.2
226.99893	1.5
227.03596	0.3
228.00572	0.8
229.01442	7.9
230.02025	0.6
230.99463	0.2
231.02977	2.2
232.03575	0.1
233.00760	0.6
235.02457	0.3
239.03470	0.3
240.00780	0.2
240.04288	0.2
241.01431	0.2
241.05119	0.2
242.99373	3.9
243.03148	0.3
244.00081	1.5
245.00946	11.9
246.01352	0.8
247.02521	4.7
248.02916	0.6
249.04063	2.1
254.99348	0.6
255.03049	0.3
256.00183	0.2
257.00961	5.2
258.01630	1.2
258.98880	0.2
259.02420	0.3
259.99615	0.4
261.00479	1.5
263.01981	0.3
267.03046	0.2
268.03738	0.1
269.00925	0.2
269.04572	0.2
270.98914	12.7
271.99454	1.5
273.00479	16.8
274.01068	1.9
275.02032	9.7
276.02292	0.7
279.03156	0.1
282.99054	0.2
283.02576	0.3
283.99692	2.6
284.02847	0.2
285.00375	0.4
285.04062	0.2
286.98395	0.2
287.02139	0.2
287.98776	0.2
289.00000	0.6
290.00580	0.2
291.01547	1.4
295.02597	0.2
297.00482	0.2
297.04089	0.1
298.98404	14.4
299.95505	0.2
299.99127	8.6
300.99954	100.0
302.00302	6.8
309.04056	0.2
311.02167	0.2
312.99948	0.3
314.00705	0.2
315.01514	0.6
316.99478	2.0
317.99988	0.1
319.00873	0.2
327.01309	0.1
335.00262	0.1
340.99362	0.2
341.03101	0.2
343.00909	0.7
357.66135	0.1
378.17670	0.1
389.05069	0.2
399.03668	0.1
401.05182	0.2
405.04834	0.4
417.04877	0.6
419.06195	0.1
433.04272	0.7
435.05688	0.3
443.02603	0.8
444.98837	0.2
445.04330	2.5
446.04581	0.2
461.03732	2.8
462.03870	0.2
463.05328	3.3
464.05548	0.3
479.04736	0.2
569.05347	0.3
595.03845	0.1
597.04260	0.1
613.04688	1.5
614.05145	0.3
615.06622	0.6
631.05768	0.4
721.06488	0.1
729.03180	0.3
745.03448	0.2
747.04694	0.2
763.03851	0.5
765.06073	1.4
766.05505	0.2
841.90393	0.1
889.06531	0.1
897.04156	0.3
905.07397	0.3
907.08044	0.3
915.05609	0.9
933.06616	12.7
934.07013	2.5
951.07471	1.5
952.07275	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01776	0.3
71.01250	0.2
75.02287	0.2
89.03853	0.3
93.03363	0.4
94.67762	0.1
95.01285	1.8
95.04918	0.2
97.02870	0.2
98.20628	0.3
99.02293	0.1
101.03848	0.2
105.03374	0.3
107.01317	0.2
107.04944	0.2
109.02851	0.2
111.00801	0.3
115.01829	0.2
117.03374	1.7
119.01266	0.3
119.04948	0.9
120.21111	0.1
121.02858	0.5
123.00803	3.1
123.04433	0.2
124.01620	0.2
125.02369	2.9
129.03380	0.6
131.01324	0.4
131.04950	0.2
132.02074	0.3
132.24304	0.1
133.01997	0.1
133.02901	1.6
135.04443	0.6
137.02388	0.5
139.00414	0.2
141.03404	0.2
143.01343	0.5
145.02901	4.5
146.03494	0.1
147.00769	0.4
147.04463	1.9
148.01596	0.3
149.02377	0.6
151.00360	0.3
157.02919	1.4
158.03650	0.2
159.00793	0.6
159.04422	0.6
160.01567	0.5
161.02403	3.9
162.02861	0.2
163.00432	0.8
163.03961	2.5
164.01108	0.3
165.01901	0.4
166.99815	1.3
169.01382	2.6
171.00844	0.9
172.01532	0.5
173.02400	4.7
174.02960	0.5
175.00339	0.4
175.03973	2.1
176.01086	0.4
176.04323	0.1
177.01941	1.4
177.05640	0.2
178.02496	0.2
178.99878	0.2
179.03412	0.4
183.04482	0.3
184.01689	0.2
185.02408	3.2
186.02814	0.2
187.00320	1.8
187.03990	0.5
188.01080	0.6
189.01906	5.1
190.02614	1.3
190.99818	0.6
191.03477	3.3
192.00584	0.2
192.03864	0.2
193.01346	0.5
195.04471	0.2
197.06067	0.2
199.00352	0.8
199.04010	0.2
200.01192	0.9
201.01927	5.8
202.02490	0.3
202.99913	0.2
203.03497	2.6
205.01405	0.8
205.05034	0.2
207.03003	0.2
209.06134	0.2
211.04008	0.4
212.01160	0.2
213.01929	0.9
214.02567	0.2
214.99904	2.4
215.03545	0.2
216.00635	1.3
217.01436	7.2
218.02016	0.8
218.99547	0.3
219.03006	2.0
221.00938	0.2
221.04538	0.3
226.99892	1.4
227.03462	0.6
228.00583	0.7
229.01433	8.5
230.02031	0.9
230.99451	0.3
231.02983	2.9
232.00073	0.3
233.00975	0.8
235.02383	0.4
239.03442	0.4
241.01442	0.2
241.05096	0.3
242.02167	0.2
242.99377	4.7
243.03149	0.4
244.00064	1.5
245.00948	12.3
246.01428	0.8
247.02502	5.1
248.03111	0.6
249.04007	2.1
250.04376	0.2
251.03664	0.2
253.01485	0.3
254.99400	0.6
255.02980	0.3
257.00974	5.1
258.01648	1.3
259.02499	0.3
259.99612	0.4
261.00449	1.4
263.01907	0.3
266.02252	0.2
267.03168	0.2
269.01160	0.3
269.04562	0.2
270.98914	13.3
271.99576	1.5
273.00470	17.0
274.01123	2.2
275.02029	10.6
276.02338	0.5
282.98953	0.1
283.02499	0.4
283.99683	2.7
285.00348	0.6
286.98410	0.5
287.01904	0.2
288.99997	0.4
290.00809	0.3
291.01511	1.7
293.03064	0.2
298.94861	0.3
298.98413	15.8
299.99136	8.8
300.99954	100.0
302.00296	6.0
309.03995	0.2
311.02188	0.3
313.00012	0.2
314.00705	0.2
315.01563	0.6
316.99463	2.1
317.99777	0.2
319.01038	0.5
327.01419	0.2
337.02386	0.2
341.03064	0.2
343.00949	0.9
399.03461	0.2
401.05023	0.2
405.04694	0.2
417.04675	0.4
419.06305	0.3
433.04181	0.7
435.05850	0.2
443.02637	0.8
445.04160	2.2
446.04581	0.2
461.03769	2.6
462.03745	0.2
463.05356	3.4
464.05725	0.3
569.05762	0.3
595.03528	0.2
613.04608	1.4
614.05432	0.3
615.06696	0.5
631.06281	0.5
729.03760	0.2
745.03320	0.1
747.04852	0.2
760.78198	0.2
763.04669	0.5
765.05511	1.4
766.05963	0.3
897.04333	0.3
905.07196	0.3
907.09100	0.2
915.05579	1.0
916.06427	0.2
933.06592	12.3
934.06940	2.5
951.07983	1.2
952.07874	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01281	19.9
71.52059	4.7
83.04919	4.8
87.00774	6.8
89.02341	16.4
93.36524	3.4
97.02884	3.9
101.02343	14.1
113.02341	6.0
125.02362	9.7
145.25175	3.7
146.30624	3.8
150.55882	3.4
163.11263	6.3
209.11829	100.0
210.12166	53.7
211.12442	17.5
212.12735	6.1
219.16576	3.5
227.12907	10.6
235.08145	4.4
277.21811	41.8
278.22110	36.5
279.22305	8.6
357.03381	4.1
379.12500	7.4
380.13382	4.3
397.13644	24.7
398.13785	15.1
399.14069	16.2
400.14420	7.4
417.14792	4.8
873.48651	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	951.077
Annotation	Unknow
Peak:m/z	Relative Intensity
70.37653	0.6
70.38039	0.6
86.22491	0.2
89.03849	0.7
95.01289	1.1
105.03374	0.3
107.01256	0.3
117.03373	1.4
119.04939	0.4
121.02846	0.3
123.00803	2.7
125.02375	2.5
131.04884	0.3
132.02124	0.4
133.02875	1.4
135.04480	0.5
137.02359	0.4
145.02892	4.0
146.03386	0.3
147.04485	1.4
148.01515	0.3
149.02429	0.5
157.02896	1.1
159.00880	0.6
159.04472	0.9
160.01642	0.6
161.02402	3.7
162.02989	0.3
163.00316	0.8
163.03979	2.1
165.01886	0.3
166.99796	1.4
167.68015	0.3
169.01402	2.5
171.00833	1.0
172.01576	0.5
173.02383	3.8
174.02972	0.3
175.03987	1.8
177.01894	1.3
179.03470	0.5
185.02420	2.9
187.00368	1.3
188.01006	0.5
189.01883	3.4
190.02670	1.4
191.03448	2.9
192.00618	0.4
199.00352	1.0
200.01132	0.6
201.01923	4.4
202.02292	0.4
203.03476	2.0
205.01454	0.8
211.04073	0.3
213.01906	0.9
214.99879	1.8
216.00542	1.0
217.01405	6.1
218.02049	0.6
219.03029	1.8
226.99808	1.0
227.03569	0.4
228.00607	0.9
229.01440	7.7
230.01987	0.8
231.02992	2.1
233.00832	0.4
235.02382	0.3
242.99382	3.8
244.00151	1.0
245.00931	11.7
246.01358	0.9
247.02519	4.6
248.03258	0.5
249.04045	2.0
254.99458	0.4
257.00974	4.5
258.01663	0.9
259.02390	0.3
259.99570	0.4
261.00461	1.5
263.01797	0.3
270.98923	13.4
271.99359	1.8
273.00470	17.3
274.01028	1.9
275.02039	10.4
276.02347	0.5
283.88947	0.3
283.99658	2.2
286.98474	0.9
289.00095	0.7
291.01419	1.7
298.98401	16.7
299.99121	8.6
300.99951	100.0
302.00336	6.6
310.18082	0.3
312.27744	0.3
314.00989	0.3
315.01596	0.7
316.99503	2.1
317.99609	0.3
319.00928	0.4
343.00967	1.1
417.04926	0.4
419.06097	0.4
433.04156	0.8
435.05859	0.5
443.02637	0.9
445.04266	2.5
461.03809	2.5
463.05301	3.4
542.84229	0.3
613.04889	1.4
615.06311	0.3
631.05914	0.5
729.03894	0.3
763.04700	0.5
765.06238	1.6
794.44025	0.3
897.04517	0.4
905.06531	0.3
907.09216	0.4
915.06158	1.2
933.06671	13.9
934.07166	2.5
951.07312	1.5
964.40363	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01768	0.5
67.42571	0.1
68.07800	0.1
68.99709	0.3
69.03336	0.3
71.01278	1.3
72.99197	0.3
73.02823	0.4
79.01773	0.6
81.03344	0.2
83.01275	0.8
85.02839	0.9
87.00761	0.3
91.01755	0.2
93.03316	0.2
95.01282	1.2
97.02843	0.4
99.00800	0.3
101.02348	1.2
107.01305	2.9
107.48177	0.1
108.02119	0.2
109.02866	0.7
109.99966	0.2
111.00784	1.4
113.02343	0.4
121.02847	0.8
123.00802	9.2
124.01591	0.5
125.02373	9.2
126.02693	0.2
127.00282	0.6
135.00818	0.2
136.98703	0.9
137.02370	0.5
139.00310	2.6
140.01103	1.5
141.01881	1.4
147.12061	0.1
148.01579	0.3
151.00311	9.8
151.03925	0.3
152.00638	0.3
153.01884	0.6
154.99770	0.2
159.04424	0.2
161.02350	0.4
161.06125	0.2
163.00334	0.9
163.03960	0.4
165.01871	0.4
165.05498	0.1
168.00584	2.0
169.01389	11.2
170.01759	0.4
177.01669	0.2
178.99831	1.7
180.00179	0.2
181.05020	0.2
185.11824	0.4
187.03926	0.2
201.05498	0.1
203.03482	0.2
211.03964	0.4
215.03513	0.2
216.04327	0.2
218.45221	0.1
226.02759	0.3
227.03491	0.6
229.04921	0.2
243.03014	1.4
244.03432	0.2
245.04550	0.4
253.03479	0.2
254.02240	0.4
255.03036	4.8
256.03415	0.3
269.04639	0.3
271.02533	8.9
272.02924	0.6
273.04028	0.4
275.01889	0.2
282.21460	0.1
283.02493	0.5
299.02127	0.3
300.02811	20.1
300.99979	1.4
301.03531	15.2
302.00534	0.3
302.03928	1.1
313.05710	1.0
347.17178	3.7
348.17776	0.3
447.09418	28.8
448.09763	2.5
463.09052	0.2
481.17508	0.3
498.17560	0.2
499.18332	100.0
500.18680	10.6
899.36273	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
66.51044	4.7
70.33508	4.8
70.33858	19.5
71.01263	26.8
73.02823	5.1
83.01308	4.3
83.04903	8.5
85.02853	4.9
87.00753	10.8
89.02319	20.2
90.71358	4.5
101.02349	15.4
113.02389	12.1
125.02385	10.5
209.11827	100.0
210.12209	40.5
211.12370	21.1
227.12886	12.4
228.13164	8.6
238.65137	4.8
277.21805	50.7
278.22119	38.2
278.65207	4.4
279.22351	13.9
367.07593	4.6
379.12714	8.5
380.12885	9.2
381.12793	6.7
397.13577	28.4
398.13806	20.2
399.14020	21.4
400.14136	9.2
415.14572	7.2
581.24506	4.9
770.95465	4.7
970.65424	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	945.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
71.61436	0.5
73.11193	0.3
83.01261	0.5
93.03389	0.5
93.79938	0.3
95.01294	0.6
107.01284	0.4
107.04891	0.4
109.02862	1.0
111.00848	0.4
117.03403	1.8
117.04083	0.3
119.04922	1.7
121.02837	0.5
121.51279	0.3
123.00791	1.0
123.04444	1.1
124.14124	0.3
125.02371	8.0
126.02708	0.6
131.04947	0.5
132.02036	0.4
133.02890	2.1
133.34431	0.3
135.04449	0.6
137.02361	1.9
137.06038	0.4
145.01794	0.5
145.02885	4.8
146.03467	0.3
147.00795	0.4
147.04448	1.4
149.02350	0.9
150.03093	0.4
151.00357	0.4
151.03952	0.9
157.02888	0.8
159.04436	1.0
161.02385	4.8
162.02968	0.4
163.00288	0.8
163.03975	3.1
164.01126	2.1
165.01828	1.2
169.01418	1.5
171.00815	0.4
173.02399	3.9
174.03076	0.5
175.03972	2.7
176.01096	0.4
176.04115	0.5
177.01944	1.6
177.03130	0.3
178.99792	0.6
185.02368	2.5
187.00328	1.2
187.04037	0.4
189.01921	4.3
190.02695	1.9
191.03468	5.7
193.01399	0.5
200.01183	0.7
201.01884	4.3
202.02519	0.4
202.42157	0.3
202.99960	0.4
203.03452	3.2
203.06914	0.4
205.01492	0.9
207.03113	0.4
213.01904	0.7
214.99818	1.0
216.00604	1.0
217.01396	5.5
217.04944	0.4
218.01985	1.1
219.02983	3.4
219.35307	0.3
221.04596	0.4
226.99956	0.7
228.00742	0.8
229.01413	5.8
229.04948	0.4
231.02972	1.6
233.00989	0.4
235.02461	0.7
242.99338	2.1
243.02980	0.7
244.00085	0.9
245.00943	8.7
245.03664	0.5
245.04594	0.7
245.08241	0.4
246.01509	1.0
247.02504	9.8
248.03090	1.0
249.04033	1.8
254.99385	0.3
255.02940	0.5
256.00089	0.4
257.00974	4.0
258.01511	0.9
261.00500	1.3
263.02100	0.4
270.98917	7.2
271.06158	0.7
271.99484	1.1
273.00461	14.1
274.01010	1.4
275.02032	8.7
276.02170	0.4
283.99628	2.4
287.02600	0.4
287.05600	1.2
289.00195	0.6
289.07199	1.7
290.00650	0.4
291.01559	4.4
298.98392	11.0
299.99152	5.2
300.99951	100.0
302.00253	6.5
316.99384	1.2
407.07748	0.5
433.04211	0.5
435.05670	1.9
443.02612	0.5
461.03534	1.6
510.82248	0.3
615.01288	0.4
737.06842	0.9
901.11591	0.5
927.09253	1.3
928.08966	0.4
945.10278	3.1
946.10504	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03349	2.4
69.36847	12.5
71.01275	19.9
71.04904	2.2
73.02834	2.5
75.00782	1.5
78.95802	1.5
81.03355	1.7
83.01276	1.9
83.04930	2.5
85.02840	5.1
87.00779	7.1
89.02334	9.1
95.01337	1.5
97.02856	12.2
97.06487	2.3
98.19740	2.8
99.00785	20.4
101.02350	8.5
104.70391	1.3
109.06486	3.1
110.03609	2.0
113.02388	6.0
119.03436	1.7
122.61547	1.5
123.08014	2.5
125.02361	8.9
125.09628	5.5
141.01883	1.8
142.02620	2.5
143.03470	1.9
161.04446	2.1
163.11226	12.6
179.05560	2.0
181.12320	20.8
187.06813	1.2
199.13272	3.3
207.10265	60.8
208.10583	4.0
221.06734	1.8
225.11336	87.4
226.11639	5.0
235.08278	2.5
243.12404	32.2
244.12752	1.7
263.07788	1.9
277.21802	51.2
278.22079	5.8
317.15833	2.8
343.27048	1.2
397.13599	7.9
415.14413	1.7
438.16855	1.5
461.20499	2.0
605.24701	30.3
606.25146	5.6
623.25702	27.4
624.25970	2.6
639.64386	1.4
687.98230	1.7
783.75818	1.3
788.05164	1.6
809.11786	1.6
883.47198	100.0
884.47491	23.6
905.55322	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	945.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
71.59592	0.6
76.13136	0.4
76.33234	0.4
83.01300	0.4
93.03329	1.2
95.01286	0.7
96.95905	0.4
105.03338	0.6
107.01293	0.4
109.02852	0.9
111.00700	0.5
111.63093	0.4
117.03398	2.1
117.04100	0.3
119.04926	1.9
121.02869	0.5
123.00800	1.3
123.04432	1.3
125.02372	11.7
126.02704	0.7
131.01302	0.4
133.02867	1.9
135.04436	0.9
137.02374	1.6
145.02881	4.2
147.00838	0.5
147.04486	2.5
149.02385	1.0
151.03920	1.0
157.02879	1.1
159.04474	1.2
161.02408	4.6
162.03122	0.8
163.00320	1.5
163.03958	3.3
164.01109	2.6
165.01849	1.5
169.01343	1.5
171.00795	0.7
173.02385	4.1
174.03043	0.7
175.04007	3.2
176.01151	0.5
177.01859	2.1
185.02409	2.9
185.06047	0.4
187.00316	0.7
189.01897	4.7
190.02664	2.2
190.99834	0.4
191.03481	4.9
192.03836	0.5
199.00296	0.6
199.03986	0.5
201.01923	4.2
202.02463	0.7
203.03499	2.5
203.07126	0.5
205.01408	1.0
205.05107	0.5
207.02983	0.4
214.99837	1.4
216.00633	1.1
217.01424	5.0
218.02133	0.7
219.02943	2.9
221.04518	0.5
226.99826	0.6
229.01413	6.8
229.04984	0.6
231.02985	1.0
233.00954	0.5
242.99371	2.0
243.03038	1.3
244.00009	1.1
245.00937	10.3
246.01486	0.8
247.02510	10.5
248.02855	1.1
249.04086	1.7
257.00949	5.0
258.01514	1.2
261.00372	1.3
263.01959	0.8
270.98904	7.2
271.06107	0.7
271.99545	0.9
273.00461	16.3
274.01038	1.5
275.02036	9.1
276.02267	0.6
283.99780	2.3
287.05710	1.1
289.00101	0.6
289.07260	1.8
290.00851	0.5
290.07529	0.5
291.01483	3.5
295.02570	0.6
298.98395	9.8
299.99155	5.3
300.99960	100.0
302.00299	7.2
312.99985	0.5
316.99408	1.7
319.00916	0.5
340.99268	0.5
347.51074	0.4
376.48721	0.5
407.07590	0.9
433.04468	0.5
435.05719	1.9
443.02728	0.6
461.03922	1.5
609.09613	0.5
655.26709	0.4
655.39246	0.5
711.07605	0.6
829.12213	0.5
833.31732	0.6
927.09637	2.3
945.09662	2.7
946.10590	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03348	1.5
71.01271	20.5
71.53495	1.0
72.99194	2.4
73.02834	4.1
75.00764	0.7
80.02542	0.9
81.03339	3.3
83.01269	2.2
83.04920	2.8
85.02853	6.8
87.00775	5.8
89.02343	15.8
89.32655	0.4
91.03886	0.5
93.03357	1.1
95.01278	1.9
97.02853	9.8
97.03477	0.6
97.06484	0.5
99.00783	3.2
101.02344	14.8
107.04952	1.6
109.02820	0.7
109.06499	36.8
110.03646	1.4
110.06841	1.0
111.00795	0.8
111.04404	0.8
112.41130	0.5
113.01620	0.8
113.02361	9.1
119.03428	4.1
121.02861	0.8
121.06488	2.4
123.04444	1.2
125.02374	6.4
125.09589	0.7
127.03975	0.5
131.03397	0.9
132.49475	0.5
132.50534	0.6
133.04948	0.6
135.08113	5.3
136.05211	1.6
141.01869	1.2
142.02681	2.8
143.03427	2.5
147.08192	0.6
161.04518	4.4
161.09732	2.2
163.11226	20.7
164.11595	1.0
167.03311	0.6
177.74348	0.4
179.05559	5.6
179.10664	0.7
181.12334	5.6
185.04460	0.5
189.09190	1.8
195.19260	0.5
199.05983	0.5
207.10252	100.0
208.10573	5.5
209.11845	3.4
217.07156	0.7
221.06668	3.2
225.11327	45.8
226.11700	2.6
235.08237	5.4
243.12370	2.0
253.09380	1.3
257.73715	0.5
259.08371	0.8
263.07773	1.1
277.21786	54.3
278.22137	5.6
281.14023	1.0
287.07718	1.4
299.15112	1.7
305.08936	2.3
323.09909	1.2
341.10922	0.6
379.12540	7.9
380.12961	0.9
397.13596	42.4
398.13806	3.2
415.14655	12.1
416.15131	0.9
441.34009	1.0
443.19089	0.6
587.23633	3.3
605.24677	10.4
606.25208	0.9
623.25806	8.6
624.26331	0.9
657.35254	0.9
675.35944	2.0
865.46851	2.6
866.47095	0.8
883.47174	59.9
884.47394	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	943.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03357	1.1
71.01275	31.2
71.57021	1.9
72.99204	3.0
73.02857	4.1
80.02629	1.4
81.03362	3.6
83.01283	3.6
83.04926	3.9
85.02867	7.5
87.00756	5.4
89.02344	20.5
93.03360	1.3
95.01329	3.0
95.04962	1.6
97.02854	11.6
99.00787	3.8
101.02354	19.8
107.04932	1.1
109.06503	32.9
110.03624	1.5
111.04454	2.1
113.02352	10.3
115.03876	1.0
119.03421	5.6
121.02888	1.4
121.06494	2.3
125.02407	9.2
131.03450	1.4
135.08096	4.3
136.05217	2.2
141.01917	2.2
142.02696	3.7
143.03450	3.9
145.10071	0.9
161.04497	3.6
161.09645	2.3
163.11244	18.2
164.11601	1.1
179.05597	5.0
179.10793	1.6
181.12321	3.7
189.09206	1.8
201.11377	1.9
207.10266	100.0
208.10617	6.1
209.11855	3.6
221.06734	2.0
225.11333	40.2
226.11771	2.1
235.08316	6.5
243.12517	2.1
253.09297	1.5
277.21802	78.2
278.22156	6.8
287.07779	1.1
305.08945	1.2
323.09973	1.5
361.64819	1.1
379.12479	8.9
397.13626	59.2
398.13983	3.7
415.14673	15.5
416.14615	1.5
498.67310	1.2
587.23846	1.9
605.24744	6.3
623.25458	4.3
657.35565	1.5
675.36176	4.5
865.46057	3.4
883.47296	66.5
884.47406	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	943.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99682	0.2
69.95164	1.2
72.99200	0.3
90.22478	0.2
92.99669	0.2
95.01305	0.9
96.99219	0.5
98.19897	0.2
107.01301	1.7
109.02876	0.9
109.99285	0.4
110.00015	7.1
111.00792	3.5
111.14278	0.2
123.00799	1.9
124.01588	1.7
124.98740	0.5
125.02378	1.3
125.99504	0.6
135.00804	0.4
136.01547	0.2
136.98738	1.5
137.02380	2.9
137.99532	3.6
139.00313	12.5
140.01004	0.4
141.01904	0.3
141.99055	0.4
143.04982	0.3
146.06516	0.2
149.02312	0.3
150.99120	0.4
151.00313	6.8
152.01135	1.4
153.01889	0.3
159.04468	0.3
161.02370	0.4
162.03114	0.3
163.00285	1.6
164.01131	1.9
164.98271	0.5
165.01849	0.7
165.99039	11.7
166.99808	5.0
169.01384	1.0
171.04430	0.3
174.03123	0.4
175.00305	0.2
175.04021	0.4
177.01915	0.9
178.99821	9.8
180.00464	0.7
185.00859	0.2
185.02408	0.3
186.03238	0.3
187.03947	0.7
188.04726	0.3
189.01889	0.7
190.02650	0.5
190.99838	0.4
191.03394	0.5
192.00607	1.4
193.01318	0.6
193.98529	0.8
194.99327	2.6
195.37514	0.2
199.03978	0.7
201.01959	0.2
202.02609	0.4
203.03491	1.9
204.04185	0.9
205.01384	0.7
206.99365	0.7
208.00076	0.4
213.01994	0.5
214.02716	4.1
215.03450	1.8
217.01390	0.7
218.02237	0.7
219.02968	0.9
220.03722	0.8
227.03508	0.8
229.01373	0.4
230.02142	0.7
231.02968	1.8
232.03821	0.9
241.01576	0.4
242.02226	4.3
243.02972	3.6
244.03697	0.3
245.00858	0.5
246.01595	0.3
247.02422	0.4
248.03046	0.2
257.00867	0.3
258.01761	2.4
259.02524	5.4
260.03162	0.6
261.04059	0.3
270.01761	4.3
271.02539	25.5
272.02908	1.6
275.01981	0.7
286.01263	3.3
287.02039	24.9
288.02567	3.0
289.02954	0.2
299.01999	0.4
303.01514	4.2
303.48697	0.2
304.02005	1.0
314.00745	0.5
315.01556	8.0
316.02301	68.2
317.02960	16.4
318.03268	1.1
331.01083	1.6
332.01810	68.5
333.02502	18.6
334.02975	1.3
386.79883	0.2
463.08929	78.2
464.09265	7.5
465.09415	0.4
477.06882	0.4
478.07425	2.3
479.08405	100.0
480.08765	7.9
798.92621	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
70.95103	0.6
70.95428	0.8
71.01280	2.2
83.01297	1.0
90.86325	0.4
95.01300	0.9
97.02821	0.6
101.02367	1.1
107.01284	5.8
109.02848	1.9
111.00781	0.8
113.02380	0.5
117.03397	2.8
119.04922	1.5
121.02854	1.4
123.00773	3.0
123.04402	0.8
124.01557	0.8
125.02373	32.4
126.02703	0.8
135.00751	0.5
136.98721	0.5
137.02364	0.9
139.00314	1.0
139.03937	0.8
140.01077	1.5
145.02896	8.5
148.01625	0.6
149.02377	0.5
151.00325	7.8
151.03947	0.6
153.01822	0.5
158.45967	0.4
161.02350	0.9
163.00330	1.5
163.03893	0.8
165.01834	0.5
167.03404	0.6
168.00607	3.7
169.01384	45.5
170.01721	1.6
173.06589	0.4
178.99821	3.0
179.03522	0.6
184.37051	0.4
193.01404	0.5
211.02455	12.3
212.02704	0.8
214.02762	0.6
215.03491	0.5
226.02765	0.5
227.03500	1.3
229.04988	0.5
241.03503	2.8
242.02199	0.5
243.03050	4.6
244.03323	0.5
250.11346	0.5
254.02086	0.9
255.03033	11.9
256.03430	0.9
269.00833	0.7
270.98898	2.8
271.02469	22.3
271.04730	18.9
272.02750	2.5
283.02444	0.7
287.02112	1.7
287.05389	0.7
289.07245	1.9
296.89697	0.5
297.00327	0.5
298.98422	4.2
299.01929	1.0
299.99173	18.1
300.02826	47.5
300.99789	3.2
301.03519	24.0
302.03888	1.6
313.05756	18.0
313.09448	0.9
314.00696	4.9
314.06100	1.1
315.01535	19.5
316.02240	5.1
317.02945	1.5
331.06845	3.3
346.09097	0.7
441.08179	2.4
463.02103	1.1
463.08929	74.3
464.09271	7.7
477.11032	100.0
478.11435	10.4
499.18808	2.5
662.80774	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03347	5.3
71.00893	4.0
71.01273	71.4
72.99180	4.8
73.02837	10.8
73.15215	1.7
76.06801	2.0
78.95779	7.4
79.95612	3.8
80.02570	3.1
81.03367	4.9
83.01272	8.6
83.04909	7.2
83.27380	1.7
84.02048	2.3
85.02847	15.1
87.00787	10.2
89.02337	30.9
95.01258	4.6
95.04948	2.9
96.95915	100.0
96.96864	4.9
97.02846	13.5
97.06483	4.8
99.00764	4.3
101.02351	34.1
109.02848	2.4
109.06514	10.7
110.03616	2.1
111.00778	2.8
111.04474	2.3
111.08050	5.1
113.02356	19.0
119.03410	6.6
121.02873	2.9
123.04424	2.4
125.02371	21.5
125.09620	8.1
127.11191	5.0
135.08113	2.7
137.02448	1.9
137.09627	3.2
139.03889	1.9
141.01888	2.7
143.03421	6.2
149.09625	2.0
151.03920	2.3
155.10739	4.1
161.04465	7.7
161.09528	2.0
162.95338	1.8
163.11311	15.6
165.12779	7.9
167.03375	2.2
169.01392	4.7
169.12291	2.9
171.10229	65.5
179.05594	10.4
181.12306	6.9
183.13959	2.4
185.11765	6.3
190.70251	2.3
193.12338	2.4
197.11812	20.9
199.13335	2.7
201.11320	40.7
207.10289	27.1
209.11826	76.6
210.12181	3.9
211.13431	15.3
215.12842	4.4
221.06705	5.9
225.11336	69.7
226.11632	3.4
227.12947	13.3
235.08229	12.0
243.12427	4.6
245.19125	4.0
247.20697	3.3
253.09277	2.6
263.07629	2.7
263.20029	2.2
266.42276	1.9
285.21350	2.2
289.07303	3.3
289.18164	10.1
291.19714	39.3
292.20053	2.2
300.99878	7.7
305.08893	3.9
307.19189	10.4
309.20795	92.8
310.21024	5.5
325.20377	3.1
333.02267	1.9
341.23392	13.5
367.60403	2.3
379.12411	4.4
397.13644	63.6
398.13852	4.0
415.14667	24.3
439.14545	3.8
569.24152	2.4
605.24658	5.3
607.25250	2.3
623.25970	12.2
623.34338	2.2
624.25500	2.8
749.37256	2.5
915.45605	13.1
933.47418	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	939.1134
Annotation	1,2,3,4,6-Penta-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
65.00220	1.0
67.01777	2.7
69.03345	2.6
70.18982	0.4
71.01279	1.7
71.58177	0.8
72.99185	0.5
74.51176	0.4
74.73191	0.4
79.01766	2.2
81.03352	1.2
83.01275	1.0
85.02879	0.8
93.03387	0.9
95.01285	14.2
97.02850	3.6
101.02335	0.6
107.01305	7.8
107.04932	0.6
109.02885	1.4
110.00018	0.5
111.00803	3.5
113.02333	0.9
115.05498	0.6
119.04977	0.9
121.02908	0.6
123.00806	36.0
123.04435	0.8
124.01668	2.6
125.02370	93.8
126.02705	3.4
127.00286	1.1
130.04237	0.5
131.04950	1.0
133.02876	0.7
135.04414	0.7
136.98749	1.9
137.02376	1.8
139.00291	5.8
140.01094	5.5
141.01877	1.9
141.43608	0.4
143.03394	0.8
143.04961	1.2
145.02892	1.1
147.04463	1.3
149.02396	1.9
151.00339	2.5
151.03925	1.6
153.01819	0.8
159.04443	2.3
161.02408	3.5
161.06058	1.1
163.00250	0.7
163.03943	1.7
164.01118	1.1
165.01888	1.5
166.99812	13.0
167.03445	0.6
168.00610	10.2
169.01381	100.0
170.01698	3.9
171.04446	1.1
173.02402	1.8
174.03175	0.7
175.03922	2.1
177.01930	3.3
177.05519	1.2
179.03432	1.4
181.01451	1.2
187.03918	2.2
188.04747	0.6
189.01909	1.2
189.05586	1.9
190.02702	1.5
191.03494	2.3
193.01404	4.0
193.04971	0.6
199.04010	0.8
201.01895	0.6
203.03490	2.0
205.01451	3.2
205.05022	1.9
206.02213	0.7
207.02968	1.7
211.02461	4.7
215.03465	1.9
216.03963	0.5
217.01404	1.0
217.05023	3.5
218.02188	0.7
219.02887	1.3
221.00868	1.1
221.04489	0.7
223.02396	0.8
231.03032	2.3
233.04538	3.6
235.02510	1.8
235.06097	0.7
243.02896	1.0
247.02412	0.8
249.04031	1.0
250.04596	0.5
251.05664	1.0
259.02429	2.4
260.03214	0.6
261.04041	2.0
263.05927	0.6
275.02045	1.0
277.03616	3.9
279.05228	2.6
284.03384	2.5
285.04092	5.9
286.04404	0.6
287.05597	0.8
289.07318	1.0
295.04678	4.6
297.06046	0.5
300.99887	3.5
302.00177	0.6
313.05737	5.0
387.07397	0.6
399.13434	0.5
403.07068	0.8
429.04907	1.5
430.05441	0.5
431.06326	3.6
447.10352	6.6
449.07230	0.7
465.06760	4.8
468.72882	0.4
511.08752	0.5
539.21429	2.5
555.09027	0.6
599.07129	4.2
600.06702	1.0
601.08411	2.9
602.08051	0.5
617.07971	11.3
618.08099	1.5
635.08838	1.2
725.09546	0.7
769.09100	61.3
770.09540	11.3
786.07861	0.6
787.10010	8.8
788.10394	2.0
939.11285	24.8
940.11664	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	933.176
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00222	0.2
66.09989	0.1
67.01785	0.4
69.03335	1.4
69.33600	0.9
71.01286	0.2
71.44200	0.1
78.24119	0.1
79.01791	0.2
80.02584	0.1
80.22456	0.1
81.03352	1.3
83.01272	1.4
90.06850	0.1
93.03358	0.5
95.01279	0.8
95.04920	0.9
97.02852	3.2
98.03176	0.1
98.19735	0.2
99.04400	0.2
101.02328	0.1
107.01301	1.5
107.04957	0.2
108.02090	0.3
109.02863	7.5
110.03203	0.2
111.00801	0.9
111.04408	0.1
117.03403	0.2
121.02866	1.3
122.03642	0.3
123.00800	1.5
123.04440	4.6
124.01603	0.7
124.04800	0.1
125.02370	67.5
126.02708	2.3
127.00314	0.2
133.02872	0.3
135.04459	0.7
136.98756	0.5
137.02376	7.2
138.02986	0.2
139.00293	0.9
139.03923	0.9
140.01091	1.0
141.01842	0.2
145.02892	2.5
145.04030	0.1
146.03697	0.5
147.04427	0.2
149.02379	2.0
150.03175	0.7
151.00317	0.3
151.03955	4.4
153.01894	0.2
157.06541	0.2
158.03624	0.2
159.04462	1.7
160.05215	0.4
161.02397	0.8
161.04623	0.1
161.06018	2.3
162.03120	0.4
163.03975	0.4
164.01079	1.3
165.01863	1.8
166.02519	0.2
166.30005	0.1
166.99823	1.5
167.03465	0.6
168.00627	1.4
169.01382	100.0
170.01718	3.3
173.04634	0.1
173.06029	0.2
174.03174	0.2
175.04005	1.0
175.07564	0.8
177.01953	0.1
177.05539	0.3
178.99915	0.1
179.03447	1.9
180.03894	0.1
181.06612	0.1
183.04506	0.3
185.02464	0.1
185.06027	0.9
187.04001	2.1
188.04732	1.2
190.02666	0.1
193.01402	3.8
194.01707	0.3
197.06145	0.1
199.07666	0.3
201.05559	0.6
202.06310	0.7
203.07115	4.9
204.07413	0.3
205.01460	0.5
205.05035	2.9
206.02153	0.1
209.06036	0.2
211.04144	0.2
212.04723	0.2
217.08549	0.2
221.08142	1.0
225.05623	0.2
226.15909	0.1
227.03577	0.1
227.07117	1.1
228.07539	0.1
229.05031	0.3
230.02238	0.1
230.05827	0.3
231.02933	0.5
245.04321	0.3
245.08218	7.1
246.08549	0.4
247.06117	0.4
253.05162	1.0
256.03662	0.1
259.06189	0.8
269.98041	0.3
270.98871	0.2
271.06195	5.9
272.06641	0.6
273.04227	0.1
275.02017	0.1
275.05591	0.3
285.00491	0.3
285.04135	0.3
287.05707	0.6
289.07245	41.0
290.07599	3.1
297.03687	0.1
297.97604	1.2
298.98111	0.2
300.03119	0.1
301.00046	0.6
301.03009	0.2
303.05167	2.5
313.00098	1.4
315.05222	0.2
328.02237	1.0
330.13205	0.2
331.04660	2.5
332.04926	0.2
397.09229	0.7
398.10214	0.1
423.07358	0.2
441.08350	56.6
442.08698	6.4
455.06421	0.1
463.08743	0.2
477.10568	0.1
491.08450	1.5
492.08463	0.2
711.05151	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	933.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00228	0.7
66.66810	0.3
67.01779	2.0
68.99699	0.6
69.03335	2.5
71.01256	1.8
71.60336	0.6
72.99223	0.7
78.98763	0.3
79.01774	2.3
81.03336	1.2
83.01290	1.2
85.02843	0.7
86.38274	0.3
86.55449	0.3
87.00777	0.6
93.03377	0.9
95.01283	14.6
95.04915	0.3
96.95899	0.8
96.99226	0.4
97.02870	3.7
99.00778	0.5
101.02348	0.6
105.03378	0.6
107.01294	7.8
107.04918	0.5
108.02145	0.4
109.02884	1.7
110.00008	0.7
111.00795	3.9
113.02342	1.1
117.03374	2.5
119.04969	1.3
121.02895	1.2
123.00799	36.1
123.04435	1.5
124.01649	3.1
125.02364	90.3
126.02715	2.6
127.00285	1.5
131.04965	1.3
133.02887	1.1
133.06512	0.7
135.04463	1.0
136.98732	1.8
137.02379	2.6
139.00293	6.6
140.01102	5.8
141.01823	2.8
143.03429	0.6
143.04929	1.3
145.02892	4.0
147.04427	1.2
149.02373	2.0
151.00311	2.5
151.03908	1.5
153.01915	1.8
154.99779	0.5
159.04434	2.5
161.02393	4.9
161.06030	1.5
162.03183	0.6
163.00340	0.9
163.03970	2.0
164.01118	1.0
164.04726	0.4
165.01897	2.4
166.99805	14.9
167.03487	0.8
168.00589	11.4
169.01376	100.0
170.01707	3.2
171.04448	0.9
173.02425	1.4
174.03160	0.6
175.03914	2.3
177.01927	3.1
177.05574	0.6
179.03462	1.9
181.01404	0.6
187.03964	3.2
188.04742	0.5
189.01894	1.1
189.05510	2.6
190.02708	1.9
190.99745	0.4
191.03487	2.8
192.00581	0.8
193.01360	3.2
193.05116	0.5
193.72818	0.4
199.03987	1.5
203.03464	2.4
203.07146	0.8
205.01431	3.3
205.05086	3.5
206.02098	0.7
207.02933	1.9
211.02464	4.4
215.03537	2.7
216.04208	0.5
217.01366	1.0
217.05080	2.9
218.02151	0.7
219.03027	1.3
221.00917	1.6
221.04582	0.6
223.02472	0.9
223.06113	0.4
229.01411	0.6
231.03008	1.4
232.03751	0.5
233.04607	3.6
235.02599	1.7
235.06157	0.6
241.01421	0.5
243.03049	0.8
245.00899	0.5
245.08279	0.8
246.01730	0.4
247.02635	0.7
249.04013	0.9
251.05653	0.8
253.04967	0.4
257.00864	0.5
259.02505	2.1
261.04105	2.5
263.05609	0.6
270.98941	0.8
271.06302	0.7
273.00360	1.0
275.01959	0.9
277.03586	4.2
278.03940	0.5
278.80014	0.5
279.05124	2.4
287.05661	0.4
289.07257	5.6
290.07568	0.9
295.04587	4.2
296.67078	0.4
297.06277	0.6
298.98502	0.7
299.05853	0.6
299.99158	0.6
300.99945	6.4
302.00323	0.7
313.05688	4.9
341.07056	0.4
385.05450	0.4
387.06967	0.4
403.06830	1.0
429.04694	1.4
431.06265	3.7
432.06802	0.5
447.05783	4.8
449.07211	0.6
465.06693	4.3
465.12634	0.4
528.46790	0.4
598.98022	0.5
599.07037	4.4
600.07574	0.9
601.08728	3.3
602.08319	0.5
617.07910	12.5
618.08893	1.7
639.72070	0.5
725.10205	1.0
763.11591	1.6
769.09070	83.5
770.09473	13.6
781.12573	2.4
782.12866	0.6
787.10126	0.4
933.14026	7.9
933.31787	0.4
934.14819	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	933.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
64.95393	0.2
65.00210	0.8
65.93776	0.2
67.01776	3.0
68.99696	0.3
69.03338	2.6
70.89354	0.6
71.01262	1.5
72.99189	0.6
79.01784	2.6
81.03360	1.0
83.01274	1.0
85.02843	0.9
87.00777	0.3
93.03359	0.6
95.01284	15.0
95.04926	0.3
96.01633	0.6
96.95980	0.3
97.02849	3.4
99.00703	0.2
101.02367	0.5
105.03371	0.5
107.01297	8.0
107.04902	0.3
109.02863	1.0
109.99988	0.5
111.00803	3.4
113.02350	0.9
115.05475	0.5
117.03380	1.6
119.04961	1.2
121.02857	0.8
122.49486	0.2
123.00802	37.1
123.04445	0.4
124.01658	3.4
125.02367	89.2
126.02694	2.4
127.00327	1.2
127.03967	0.4
130.04129	0.2
131.04945	0.8
133.02882	0.8
133.06538	0.6
135.04489	1.0
136.98720	1.7
137.02339	1.2
138.03098	0.3
139.00299	7.1
139.03906	0.4
140.01094	5.1
141.01871	2.3
143.03430	0.6
143.04921	1.0
145.02872	2.7
145.06522	0.5
146.03683	0.5
147.00826	0.2
147.04454	0.8
149.02356	1.2
149.06067	0.3
151.00316	2.6
151.03932	0.9
152.00999	0.3
153.01849	1.1
154.99757	0.4
158.03659	0.2
159.04471	1.9
160.92732	0.2
161.02393	3.3
161.06036	0.8
162.03107	0.4
163.00339	0.4
163.03970	1.7
164.01132	0.4
165.01872	0.8
165.05524	0.2
166.02679	0.4
166.99812	13.8
167.03520	0.7
168.00601	10.4
169.01376	100.0
170.01709	3.0
171.04442	1.3
173.02417	1.0
173.05968	0.3
174.03143	0.9
175.03943	2.0
176.01028	0.3
177.01907	2.8
177.05481	0.8
178.02444	0.3
178.99910	0.2
179.03453	1.7
179.19321	0.2
181.01317	1.0
185.02373	0.3
187.03999	2.1
188.04723	0.8
189.01924	1.1
189.05531	2.8
190.02715	1.4
191.03499	3.0
191.05180	0.4
192.00577	0.7
192.04140	0.2
193.01392	3.6
193.05072	0.6
194.99315	0.4
197.00813	0.2
199.04002	1.2
201.01921	0.3
202.02711	0.4
203.03445	2.1
205.01396	3.5
205.05025	2.3
206.02042	0.5
207.02988	1.6
211.02477	4.1
212.02971	0.2
213.01976	0.4
214.02786	0.3
215.03505	2.1
216.04008	0.3
217.01451	0.6
217.05060	3.0
218.02199	0.6
219.03011	0.8
221.00909	1.7
221.04414	1.1
223.02519	0.9
229.01482	0.3
231.03024	1.7
232.03673	0.2
233.00961	0.2
233.04570	3.1
235.02544	1.7
235.06078	0.8
237.04079	0.4
241.03455	0.4
241.25615	0.2
243.03011	0.7
245.00899	0.3
246.01660	0.2
247.02534	0.4
249.04147	1.2
251.05623	0.8
257.29846	0.2
259.02545	2.0
261.04117	2.0
262.04419	0.3
263.05719	0.5
265.03510	0.2
273.00470	0.5
277.03598	4.1
278.04306	0.3
279.05161	3.4
280.05560	0.3
281.04773	0.3
289.07285	0.4
295.04626	5.3
296.04871	0.3
297.06119	1.0
299.05734	0.4
300.99866	1.6
302.00269	0.2
313.05688	5.1
325.03708	0.2
343.04956	0.3
385.05835	0.4
387.07275	0.4
403.06967	0.9
429.04691	1.7
430.05426	0.4
431.06311	4.3
432.06610	0.3
447.05817	4.9
448.06216	0.5
449.07391	0.9
465.06778	4.4
465.11813	0.1
466.07349	0.4
573.08746	0.2
599.06921	5.2
600.07495	1.1
601.08392	3.2
602.09143	0.4
617.07971	15.5
618.08160	1.7
629.11420	0.2
725.09729	1.1
763.11945	1.5
769.09082	69.9
770.09399	11.1
781.12903	4.1
782.13135	0.8
933.13898	11.0
934.14142	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	931.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00214	0.7
67.01777	0.4
70.93893	0.4
71.01279	1.3
72.99194	0.3
73.02830	0.3
78.34063	0.2
79.01796	0.5
81.03329	0.2
83.01289	1.1
83.75793	0.1
85.02837	0.7
89.02328	0.4
93.03365	0.3
95.01292	1.2
97.02861	0.3
99.00800	0.2
101.02341	0.8
107.01295	3.3
108.02094	0.3
109.02873	1.0
111.00795	1.2
113.02364	0.4
119.01324	0.2
121.02905	1.2
123.00806	7.7
123.04446	0.3
124.01595	0.6
125.02373	10.4
126.02664	0.2
127.00322	0.4
129.01848	0.2
135.00861	0.4
136.98735	0.9
137.02367	0.5
139.00310	2.4
139.03929	0.2
140.01093	1.9
141.01889	1.1
148.01659	0.4
149.02403	0.3
151.00314	11.9
151.03912	0.4
152.00748	0.4
153.01883	0.6
154.99811	0.2
159.04411	0.2
161.02432	0.3
163.00311	1.6
163.03984	0.5
164.01062	0.3
167.03448	0.2
167.04926	0.2
167.96390	0.2
168.00598	2.3
169.01384	14.7
170.01740	0.5
175.04001	0.2
177.01881	0.2
177.02571	0.2
177.04019	1.9
178.99825	3.6
181.05063	0.2
183.04462	0.2
187.03952	0.4
190.99861	0.2
199.03918	0.2
201.05545	0.4
203.03506	0.3
211.02448	1.2
211.04077	0.5
215.03456	0.4
216.04266	0.2
226.02731	0.4
227.03532	1.2
229.05061	0.5
239.03659	0.3
243.03032	3.1
244.03560	0.3
245.04597	0.9
246.04941	0.2
253.03581	0.3
254.02159	0.8
255.03035	9.7
256.03592	1.1
257.04614	0.3
259.02557	0.3
269.04456	0.3
271.02496	17.9
272.02972	1.5
273.04099	0.8
283.02536	1.1
289.07214	0.7
299.02097	0.5
300.02823	44.0
301.03552	33.3
302.03940	2.5
313.05652	1.0
324.07376	0.2
329.05212	0.8
447.09430	68.3
448.09766	7.3
463.94421	0.2
469.03522	0.2
482.17950	0.2
483.18826	100.0
484.19159	11.5
636.05292	0.2
837.86328	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00210	0.2
68.49029	0.1
71.01275	0.3
71.60171	0.2
78.48647	0.1
83.01263	0.2
85.02834	0.2
93.03366	0.2
93.17417	0.1
95.01292	0.6
96.95911	0.2
97.02871	0.2
101.03914	0.2
101.12755	0.1
107.01321	0.7
109.02848	0.5
111.00773	0.3
113.90108	0.1
117.03364	0.9
119.04941	1.6
121.02843	0.2
123.00811	1.4
123.04456	0.4
124.01576	0.5
125.02370	5.8
129.03391	0.3
133.02866	0.3
135.04396	0.2
137.02370	0.8
139.00363	0.2
139.03941	0.2
140.01112	0.3
145.02885	2.4
146.92157	0.2
147.04440	0.6
149.02373	0.5
151.00276	0.2
151.03929	0.4
157.02863	0.5
159.04466	0.3
160.01543	0.2
161.02405	1.1
163.00362	0.2
163.03929	1.2
164.01123	0.4
165.01886	0.3
168.00568	0.3
169.01382	4.9
170.01797	0.2
172.01593	0.3
173.02350	1.2
174.02849	0.3
175.03966	0.6
177.01826	0.4
179.03439	0.3
181.01303	0.2
185.02417	2.3
186.02809	0.2
187.03972	0.4
189.01900	1.0
190.02611	0.2
191.03442	0.5
192.00734	0.1
193.01297	0.2
195.04463	0.1
199.03969	0.2
200.01138	0.2
201.01906	2.2
202.02357	0.2
203.03499	1.0
203.07199	0.2
205.01328	0.2
205.05101	0.3
213.01910	0.4
216.00615	0.3
217.01357	0.7
219.02902	0.3
226.99973	0.4
228.00502	0.2
229.01450	4.2
229.04967	0.2
230.01938	0.5
231.02956	1.1
239.03693	0.2
242.99330	0.2
243.02998	0.2
244.00111	0.3
245.00926	2.2
246.01424	0.2
247.02531	0.5
248.03328	0.5
249.04076	1.6
251.03526	0.3
254.99399	0.2
257.00928	2.8
258.01624	0.4
267.02908	0.2
269.04654	0.3
270.98914	0.2
273.00473	1.4
274.01126	0.5
275.02029	4.8
279.03012	0.2
281.04770	0.2
283.99701	2.2
285.00455	0.2
285.03998	0.2
287.05664	0.2
289.07257	0.9
291.01456	0.3
295.02417	0.2
297.03857	0.2
298.98404	0.2
299.02286	0.2
299.99176	3.1
300.99957	100.0
302.00299	7.7
313.05762	0.4
323.02011	0.3
343.01102	0.2
419.06149	0.3
459.09558	1.0
465.06906	0.2
479.22873	0.4
506.74506	0.2
553.06122	0.2
641.25952	0.4
723.86725	0.2
761.10175	1.6
761.28503	0.4
762.10742	0.2
779.11230	0.6
779.29315	0.4
845.02240	0.2
931.12335	8.8
931.30255	0.4
932.12750	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	929.514
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03339	1.1
71.01271	18.7
72.99203	1.6
73.02833	2.5
73.04155	0.2
75.00759	0.4
81.03349	0.8
83.01274	1.8
83.04914	0.4
83.40382	0.2
85.02839	3.8
87.00780	4.1
89.02338	13.5
95.01289	1.7
97.02856	2.8
99.00790	0.9
101.02345	12.6
109.02870	0.2
111.00832	0.3
111.04398	0.4
113.02357	7.9
114.02664	0.3
115.03923	0.4
116.92809	0.3
119.03423	3.9
121.02934	0.3
124.01611	0.3
125.02374	5.2
127.03972	0.2
131.03415	0.5
133.05002	0.5
135.83830	0.3
137.02307	0.3
139.03929	0.6
141.01826	0.3
142.94238	0.3
143.03432	2.3
145.04967	0.3
158.39201	0.3
161.04498	3.5
167.03477	0.5
179.05583	3.8
183.13870	6.0
193.12292	1.9
199.06128	0.5
203.05484	0.3
211.13390	100.0
212.13737	5.1
217.07143	0.6
221.06635	1.3
235.08255	5.9
253.09349	0.9
253.14534	0.3
259.08270	0.7
263.07806	0.4
277.21783	59.8
278.22083	4.9
287.07782	2.0
291.23444	0.4
300.18048	0.3
301.09311	0.3
305.08841	2.4
319.22702	0.5
323.09827	1.4
361.11398	0.3
379.12527	12.3
380.12784	0.8
385.39606	0.3
397.13596	40.8
398.13785	2.5
415.14673	8.4
415.19022	0.2
416.14948	0.4
565.30762	0.3
591.26660	6.6
592.26929	0.8
609.27777	4.8
610.28271	0.7
657.35156	1.7
658.35645	0.4
675.36292	4.0
676.36749	0.7
869.49445	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03343	1.9
71.01266	15.3
71.09786	0.9
71.10120	0.6
72.99189	1.3
73.02835	2.3
76.71069	0.4
81.03348	0.6
83.01276	2.9
85.02840	3.8
87.00761	3.9
89.02332	12.9
95.01283	1.4
97.02853	2.3
99.00754	0.9
101.02347	11.3
111.00750	0.5
111.04434	0.6
113.02360	7.2
119.03401	3.2
125.02372	5.7
137.02440	0.5
139.03970	1.0
139.40050	0.5
143.03403	2.5
161.04518	2.9
167.14397	1.2
179.05589	2.9
183.13857	4.8
193.12317	1.5
211.13383	100.0
212.13712	4.3
217.07182	0.9
221.06665	1.4
231.32497	0.5
235.08261	5.3
259.08356	0.8
277.21780	57.0
278.22150	4.9
287.07761	1.6
305.08899	1.7
323.09921	0.8
379.12543	13.4
380.13028	0.6
397.13568	42.8
398.13913	2.3
402.68817	0.5
415.14697	8.4
562.42932	0.6
565.31226	0.6
573.88049	0.6
591.26556	6.0
592.27307	1.1
609.27875	4.0
657.35010	1.7
675.35876	3.5
676.37036	0.8
912.70050	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01280	22.3
71.56664	9.3
86.17104	9.9
89.02335	15.7
101.02340	11.7
128.10405	10.2
167.04750	8.4
209.11832	100.0
210.12160	55.9
211.12328	14.2
221.15799	8.2
224.55710	9.7
227.12944	22.3
246.71393	9.4
255.23439	53.4
256.23724	41.4
257.23965	11.9
281.69836	8.7
336.42532	9.6
338.14633	9.7
397.13461	30.0
398.14078	13.9
399.14063	28.1
400.13971	14.4
470.14697	8.1
548.34229	11.3
636.79675	11.2
686.66223	10.2
762.99323	12.3
820.63593	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	927.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00209	5.6
67.01760	0.8
68.99700	0.9
71.01277	0.4
72.99183	0.5
83.01266	3.4
85.02826	0.6
93.03265	0.5
95.01269	1.4
96.99219	0.9
97.02775	0.5
98.19766	1.1
106.00526	2.2
107.01300	9.5
108.02112	0.8
109.02853	6.3
109.87040	0.5
109.99995	2.7
111.00775	3.9
119.01291	0.6
121.02839	2.0
123.00797	5.6
124.01649	1.1
124.98729	1.0
125.02380	4.0
133.02878	1.1
135.00824	0.9
136.98718	1.1
137.02397	0.7
137.99512	1.4
139.00308	7.0
140.01031	1.0
141.01839	1.0
143.04909	0.9
145.02890	0.7
148.01593	1.1
149.02339	2.9
149.99510	2.5
151.00311	48.3
152.00862	1.8
153.01877	5.0
153.99025	1.1
154.99788	4.2
159.04469	2.3
161.02383	1.7
161.05936	0.6
163.00296	2.0
163.04010	1.1
164.01152	0.8
164.98251	1.2
165.01891	0.7
165.09146	0.5
165.99043	4.0
166.99835	3.3
168.00620	2.5
169.01390	5.0
171.04480	1.9
173.02422	1.0
174.03146	0.7
175.00375	0.9
175.03954	3.2
177.01868	1.8
177.99098	3.0
178.99820	68.4
180.00189	2.9
180.97716	0.7
181.01370	1.7
181.98537	1.1
183.40065	0.6
185.02446	0.7
187.03944	4.3
189.01910	1.9
189.05548	0.7
190.02705	1.5
190.99980	0.6
191.03503	0.9
192.00688	1.2
193.01373	1.9
193.98433	0.5
194.99321	4.1
197.00937	3.8
197.02553	0.7
198.03264	0.6
199.04019	2.0
201.01915	1.8
203.03510	4.5
204.04143	0.7
204.97839	0.9
205.98611	0.7
208.00156	0.7
209.00882	0.6
211.02440	0.7
213.01920	1.3
214.02640	0.5
215.03452	3.7
216.04265	0.6
217.01395	1.7
217.05147	1.0
218.02222	0.6
219.02959	1.0
222.98727	2.3
226.02655	0.8
227.03581	2.3
229.01454	0.9
230.02182	0.7
231.03038	4.6
232.03743	4.7
233.04561	4.0
241.01451	0.8
242.02234	1.5
243.03015	7.5
244.03470	0.5
245.00908	0.9
245.04561	3.2
247.02467	2.0
255.03072	4.6
257.01041	1.4
258.01776	1.1
259.02475	3.4
260.03220	0.8
261.04129	1.3
269.01068	0.7
270.01764	1.4
271.02524	17.7
271.05420	0.9
272.02994	1.3
273.00418	0.5
275.02106	0.6
286.01187	1.8
287.02026	32.5
288.02649	3.5
289.03635	4.8
297.00592	1.2
298.98654	0.8
299.01935	5.3
300.02811	17.6
300.99982	1.7
301.03506	12.5
302.03973	1.2
303.01471	3.3
304.02206	1.2
305.03122	1.7
314.00601	1.2
315.01538	65.2
316.02200	22.1
317.03073	13.4
318.03320	1.0
327.07224	1.5
331.01038	1.0
332.01810	16.4
333.02563	11.1
333.06677	0.5
334.02808	0.6
339.07361	1.0
343.06750	4.4
379.10443	1.9
435.09381	3.4
447.09436	21.7
448.09723	2.4
451.08942	0.8
461.07245	3.5
462.08081	1.1
463.08923	37.0
464.09244	3.5
478.07666	2.2
479.08496	100.0
479.15567	14.3
480.08847	9.0
480.15982	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.494
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99664	1.1
69.03366	1.9
71.01270	100.0
72.01601	1.3
72.99184	2.8
73.02835	4.1
81.03338	1.2
83.01282	2.4
83.04921	1.3
85.02834	5.3
87.00777	7.3
89.02338	17.8
95.01286	2.0
97.02847	5.1
99.00780	2.6
101.02344	16.6
103.59446	0.8
109.02848	1.2
109.06516	6.0
113.02347	8.4
119.03408	4.7
125.02365	8.9
125.09647	2.1
127.11206	2.9
131.03358	1.1
133.05028	0.8
139.03883	1.1
143.03438	3.6
155.10728	1.4
161.04475	3.1
163.11229	3.6
166.49364	0.8
169.01302	1.0
171.10233	52.5
172.10510	2.0
179.05544	3.3
181.08672	1.5
181.12317	2.1
199.09715	11.0
199.13467	1.5
201.11320	10.8
207.10251	17.3
209.11897	1.1
215.12724	1.0
221.06633	1.7
225.11325	11.2
226.11627	1.3
235.08299	6.1
237.13164	1.0
243.12433	2.5
253.09256	1.6
277.21793	62.6
278.22165	5.8
285.08621	0.8
287.07898	1.8
323.09964	1.0
376.13461	0.9
379.12357	6.4
397.13611	43.1
398.14008	3.0
415.14584	9.1
486.44119	0.9
579.22333	1.1
623.25641	1.1
625.20825	0.9
779.94080	0.9
857.45514	2.3
883.47223	8.4
884.47729	2.4
894.61511	1.0
901.47931	2.5
919.49066	10.8
920.49664	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	919.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00224	0.3
67.01773	0.5
69.03350	1.0
69.50060	1.4
71.01276	2.3
72.99177	0.2
73.02821	0.4
79.01781	0.3
81.03336	1.0
83.01291	1.1
85.02844	0.7
89.02332	0.4
93.03349	0.3
95.01292	0.9
95.04933	0.5
97.02842	2.1
99.00769	0.3
100.14525	0.2
101.02361	0.6
107.01300	4.5
108.02090	0.2
109.02866	4.2
111.00798	1.7
113.02358	0.6
117.03377	3.4
119.04936	0.7
121.02907	0.6
122.03671	0.2
123.00810	4.0
123.04435	2.3
124.01618	0.9
125.02370	63.2
126.02729	1.6
127.00309	0.5
133.02940	0.2
135.04456	0.5
136.98759	0.7
137.02377	3.8
138.03110	0.3
139.00307	2.0
139.03912	1.2
140.01076	1.6
141.01872	1.4
145.02890	11.7
146.03500	0.4
147.04411	0.2
147.92224	0.2
149.02367	1.1
150.70967	0.2
151.00311	3.7
151.03958	2.6
152.00995	0.2
153.01862	0.9
156.32977	0.2
158.03674	0.2
159.04471	1.0
161.02464	1.0
161.06020	1.5
162.03101	0.4
163.03987	1.4
164.01134	0.5
165.01874	1.5
166.02603	0.3
166.99828	0.8
167.03467	0.9
168.00610	4.6
169.01382	97.2
170.01717	2.9
173.06087	0.3
174.03252	0.2
175.03938	0.6
175.07603	0.5
177.05484	0.2
178.99889	0.3
179.03435	1.4
181.01456	0.2
182.99342	0.2
183.02979	0.3
183.04454	0.3
185.06102	0.6
187.03999	1.5
188.04752	0.7
193.01418	2.1
199.03964	0.2
201.05576	0.4
202.06407	0.4
203.07118	2.4
205.01529	0.5
205.05058	1.5
211.02470	14.3
212.02863	0.6
214.02693	0.2
215.03557	0.3
219.02936	0.2
221.08171	0.6
223.02489	0.4
227.07063	0.7
229.04997	0.2
241.03470	3.2
243.03008	0.5
245.08228	4.2
253.05211	0.5
255.03062	0.5
258.01852	0.2
259.02777	0.2
259.06235	0.6
271.04605	25.3
272.04984	1.1
273.03909	0.2
285.04150	0.8
286.01392	0.4
286.04877	0.3
287.02136	0.4
287.05530	0.4
289.07254	20.5
290.07541	1.4
298.98386	0.8
299.01868	0.5
299.99200	3.5
300.02838	1.2
300.99911	0.5
301.03503	0.9
303.05179	3.7
304.05820	0.3
313.05731	20.5
314.00754	1.2
314.06027	1.1
315.01501	3.8
316.02283	0.5
331.07056	2.4
397.09393	0.3
401.10327	0.2
423.06754	0.2
441.08362	23.8
442.08624	1.8
449.07516	0.5
455.06406	0.7
463.08917	2.3
464.09302	0.7
465.08997	0.3
476.09769	0.2
477.10645	100.0
478.11063	8.6
554.96698	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
64.85247	0.8
68.99778	0.6
69.03351	1.4
69.53116	3.5
69.53523	2.2
71.01275	16.1
72.99198	1.9
73.02848	2.7
78.95779	0.8
80.02583	1.4
81.03348	2.9
83.01279	1.7
83.04918	7.8
85.02841	5.4
87.00769	3.8
88.98724	1.3
89.02344	14.5
95.01259	1.5
95.04926	1.1
96.95900	4.8
97.02851	2.9
99.00790	1.3
99.25516	0.7
101.02354	12.5
102.45999	0.7
109.06499	1.2
109.62169	0.7
111.08065	8.2
113.02352	6.6
119.03388	4.2
121.02842	1.0
125.02366	6.8
135.08122	0.8
143.03419	2.3
153.12766	0.8
161.04494	2.7
163.11272	5.5
165.12779	2.6
169.01376	0.7
169.12369	4.0
171.10281	1.3
179.05565	2.5
179.10779	1.1
181.12314	2.3
183.13797	1.8
191.10750	1.2
194.50946	0.8
197.11815	38.2
198.12215	1.2
199.13461	2.2
209.11829	100.0
210.12192	6.0
211.13385	9.4
221.06607	2.1
225.11270	1.0
227.12909	14.7
228.13324	1.9
235.08244	4.5
253.09157	1.0
263.07666	1.0
263.20172	2.8
265.18213	1.5
287.07584	1.3
291.19711	12.8
292.19983	1.1
293.21298	1.2
300.99576	1.0
305.08862	1.8
309.20813	85.9
310.21179	8.4
325.20300	2.6
327.26392	0.8
379.12607	2.3
397.13586	38.1
398.13828	3.5
415.09119	0.8
415.14691	17.2
416.14969	1.6
519.33856	0.8
607.26233	2.0
689.33954	1.2
707.34857	1.0
917.44806	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.477
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03321	1.6
71.00898	1.0
71.01273	17.4
72.99191	1.5
73.02829	2.5
73.90811	0.5
78.95779	1.0
80.02551	1.5
81.03336	2.4
82.14674	0.5
83.01266	2.4
83.04908	7.2
85.02848	4.0
85.99970	0.5
87.00771	4.5
89.01831	0.7
89.02342	13.0
93.03342	0.8
95.01259	1.8
95.04932	1.7
96.95913	8.4
96.96863	0.8
97.02863	3.0
99.00766	1.0
101.02354	11.4
106.04134	0.6
109.06509	1.2
111.08060	7.2
112.75671	0.5
113.02360	7.5
115.03888	0.5
119.03400	3.3
121.02853	0.7
123.08047	0.5
125.02349	6.3
125.05984	1.2
131.03413	0.7
135.08041	1.1
141.09206	0.6
143.03432	2.2
151.03967	0.8
153.12772	1.0
155.11839	0.6
161.02316	0.9
161.04486	3.3
163.11249	5.7
165.12842	2.7
169.01328	1.1
169.12299	3.3
171.10207	2.3
179.05548	4.0
181.12285	2.0
183.13828	1.0
191.10794	1.3
197.11813	39.2
198.12135	1.8
199.13332	2.9
209.11816	100.0
210.12154	4.7
211.13391	8.5
217.07153	0.6
221.06689	1.3
225.11388	1.4
227.12878	15.0
228.13156	1.0
235.08220	4.8
239.12846	1.0
247.20673	0.6
251.12979	0.7
253.09363	1.0
263.20239	1.4
265.18234	1.0
273.18637	0.7
287.07736	0.9
291.19699	13.2
292.20038	1.6
293.21146	1.4
300.91733	0.7
301.00034	0.7
305.08920	1.5
309.20782	71.4
310.21185	5.3
323.09854	1.6
325.20352	1.3
373.53906	0.7
379.12347	3.6
397.13602	45.4
398.13950	2.3
415.14645	15.5
416.14954	0.9
463.46036	0.6
480.18124	0.7
595.26984	0.7
607.26202	3.3
625.27173	0.9
689.34058	1.3
707.35150	1.5
869.67493	0.6
917.47986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00880	0.7
69.03348	1.8
71.01272	44.1
71.60894	1.0
71.61295	1.1
72.01622	0.8
72.99200	2.2
73.02834	6.6
80.02568	1.1
81.03363	2.5
83.01293	2.6
83.04902	2.5
84.02055	0.8
85.02837	7.5
87.00783	6.2
89.02341	17.0
93.03324	1.1
95.01283	2.4
95.04941	1.9
96.95907	4.5
97.02878	4.8
97.06493	1.2
99.00770	1.4
99.04424	0.9
101.02350	14.9
106.05199	0.7
107.04929	1.0
109.02880	1.6
109.06500	5.3
111.00813	1.1
111.08083	1.7
113.02357	9.4
119.03403	4.9
121.02856	1.3
123.00822	1.5
125.02374	11.1
125.09663	2.3
127.11192	2.4
137.02356	1.5
139.03880	0.9
139.07570	1.1
141.01842	1.5
143.03438	3.3
149.09663	1.6
151.03862	0.7
155.10704	1.8
161.04486	4.0
162.52313	0.9
163.11212	6.6
165.09171	0.9
165.12793	1.4
167.10728	1.8
169.01393	3.3
171.10217	29.6
179.05583	6.3
179.10732	2.0
179.14348	0.9
181.12285	2.8
185.11815	2.3
189.09309	1.0
195.13869	8.8
195.68211	0.7
197.11852	3.1
199.09850	1.1
199.13417	1.6
201.11324	23.3
201.13229	1.4
202.11681	1.7
203.05472	1.0
207.10258	15.9
209.11824	24.1
210.12149	1.5
211.13416	3.1
215.12973	2.4
221.06693	2.4
223.13446	5.6
225.11328	31.9
226.11722	2.4
227.12859	4.2
235.08240	5.4
243.12334	3.6
249.93111	0.7
253.09277	2.8
263.07672	0.9
275.20358	5.5
287.07727	1.7
289.07245	0.8
289.18195	1.1
291.19739	19.2
292.20062	2.3
293.21313	100.0
294.21634	8.9
300.99924	2.6
305.08716	1.5
307.19012	1.2
309.20810	2.8
310.21210	1.0
323.09967	1.9
372.39590	0.8
379.12549	4.2
381.15170	0.9
397.13608	34.0
398.13910	3.0
410.09763	0.9
415.14658	14.3
416.15170	1.1
439.14810	2.2
452.02917	1.3
457.15707	0.9
551.23950	1.0
569.24512	1.3
605.24652	3.0
623.25616	5.2
691.35645	1.9
899.46631	8.8
900.47284	1.3
917.47961	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	917.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
64.96095	0.1
65.00211	0.1
70.65151	0.1
71.12540	0.2
89.03860	0.1
93.03365	0.1
95.01278	0.5
97.02853	0.1
101.03873	0.2
102.74059	0.1
107.01323	0.2
109.02816	0.1
111.00797	0.1
117.03376	0.9
119.04938	0.3
121.02901	0.1
123.00800	0.7
124.01610	0.1
125.02370	2.4
126.02724	0.1
129.03407	0.8
131.04913	0.2
132.02101	0.2
133.02884	1.1
135.04404	0.1
137.02353	0.2
141.03378	0.2
143.01306	0.2
145.02893	3.0
147.04451	1.1
148.01556	0.1
149.02374	0.3
151.03983	0.1
156.02122	0.1
157.02887	1.8
159.00829	0.1
159.04454	0.4
160.01596	0.2
161.02412	1.1
163.00359	0.1
163.03946	1.7
164.01044	0.2
165.01897	0.1
166.99883	0.1
169.01396	1.6
169.02789	0.2
171.00841	0.5
171.04507	0.1
172.01630	1.3
173.02400	4.0
174.02835	0.2
175.03981	1.1
176.01105	0.2
177.01878	0.7
184.01611	0.2
185.02420	2.8
186.02953	0.2
187.00322	0.2
187.03996	0.3
188.01180	0.2
189.01936	1.2
190.02654	0.2
191.03458	0.8
199.00360	0.3
199.03922	0.1
200.01123	1.5
201.01913	6.4
202.02451	0.5
203.03476	1.8
204.03893	0.1
205.01416	0.4
209.06082	0.2
211.04050	0.2
212.01118	0.2
213.01920	0.7
213.05476	0.1
214.02693	0.4
214.99960	0.1
215.03690	0.1
216.00661	0.4
217.01416	1.3
217.04990	0.1
218.02072	0.2
219.02942	0.3
221.04568	0.1
226.99913	0.7
227.03456	0.3
228.00639	1.0
229.01434	10.6
230.02127	2.1
230.99449	0.2
231.02988	3.7
232.03439	0.1
233.00754	0.1
239.03418	0.2
240.00650	0.2
240.04189	0.1
242.02145	0.2
242.99324	0.1
243.02982	0.3
244.00185	0.5
244.03340	0.1
245.00935	3.2
246.01372	0.2
247.02515	1.8
248.03230	0.4
249.04080	1.5
251.03551	0.1
254.02226	0.2
254.99278	0.3
255.03047	0.3
256.00275	0.2
257.00967	5.4
258.01688	1.0
259.02246	0.1
261.00357	0.1
267.02994	0.4
269.00967	0.2
269.04584	0.4
270.98993	0.2
271.02618	0.2
271.99738	0.4
273.00494	2.1
274.01242	0.8
275.02036	9.6
276.02289	0.5
279.03012	0.1
281.04523	0.2
282.01706	0.3
283.02512	0.4
283.99692	2.6
284.02850	0.2
285.00284	0.2
285.04184	0.2
289.07275	0.1
291.01337	0.1
295.02536	0.2
296.03195	0.1
297.04022	0.2
298.01273	0.2
298.98456	0.5
299.01913	0.2
299.99191	5.1
300.99954	100.0
302.00305	6.5
302.05490	0.1
309.04126	0.2
315.01520	0.2
315.85013	0.1
319.01050	0.2
321.04028	0.1
327.05118	0.1
337.03455	0.1
341.03110	0.1
401.05295	0.2
427.02856	0.2
433.08170	0.1
445.04211	3.6
446.04510	0.3
483.18820	0.1
615.06061	0.5
675.04395	0.1
721.07306	0.6
747.04663	0.9
748.04834	0.2
765.06067	0.1
787.21747	0.1
917.07104	9.7
918.07501	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	915.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
66.44797	1.7
70.10011	3.1
70.10423	6.2
81.03341	2.5
82.04741	1.5
83.01282	5.5
93.03358	3.2
97.02864	5.6
109.02862	23.1
119.04935	22.1
121.02857	4.7
123.04473	11.7
124.82996	1.7
125.02371	100.0
133.02887	3.9
137.02390	21.6
137.98463	1.7
139.03954	2.6
149.02405	6.6
149.06119	2.0
151.03957	14.9
159.04414	2.7
161.02382	30.6
162.03061	3.2
163.00250	3.1
163.02698	2.4
163.03970	32.6
164.01044	4.3
165.01816	3.4
173.04503	2.0
173.06012	2.0
175.03943	11.2
177.01845	5.1
179.03497	3.4
187.03944	8.2
188.04703	4.3
191.05574	11.0
201.05597	3.1
203.03557	3.3
203.07120	10.5
205.01486	2.8
205.05057	8.4
212.04732	2.3
227.03418	2.9
229.05093	2.3
231.02966	2.5
243.02950	3.7
245.04559	6.3
245.08275	17.7
253.05115	1.8
255.03026	11.4
256.03787	5.5
257.04681	2.3
269.04401	2.9
273.04086	4.9
281.04623	3.5
285.04184	2.7
287.05688	15.5
289.07269	71.2
290.07532	4.0
299.05627	7.8
321.07852	1.9
337.09366	10.9
339.08334	3.8
407.07803	69.0
408.08151	7.6
425.08884	79.6
426.09253	8.0
451.10443	26.8
452.10681	3.3
559.12115	4.7
577.13654	82.6
578.14069	12.7
610.23810	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	915.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01775	2.6
71.01285	1.6
71.16525	0.6
81.03366	1.8
83.01264	2.7
83.04896	0.4
85.02855	0.8
87.00798	0.5
93.03358	13.2
95.01280	0.6
95.04925	1.8
97.02855	2.9
99.04367	0.5
107.04953	1.2
108.02105	1.0
109.02859	16.0
111.00767	0.6
111.04439	2.6
115.37064	0.5
117.03314	0.6
119.04943	9.2
121.02853	2.9
122.03624	0.5
123.04446	11.1
125.02367	100.0
126.02715	2.7
131.04967	0.6
133.02876	3.6
135.04469	1.4
137.02370	24.8
138.03102	0.6
139.03949	3.0
143.04922	0.5
145.02904	1.2
146.03654	0.8
147.04430	1.0
149.02376	5.6
150.03125	1.1
151.03940	12.8
155.03448	2.0
159.04445	1.9
160.05020	0.7
161.02390	28.1
161.06038	3.8
162.03151	2.3
163.00333	1.6
163.03928	9.1
164.01131	3.9
164.04370	0.5
165.01849	4.7
167.03448	1.5
173.04510	45.6
174.03128	0.6
174.04863	1.1
175.03975	10.2
175.05469	0.6
175.07570	0.8
177.01892	5.3
177.05518	1.4
178.02524	1.0
179.03453	5.6
185.06012	1.0
187.03975	7.0
188.04715	2.9
189.05553	0.9
191.03778	0.7
191.05544	6.1
193.05090	1.1
199.03835	0.8
201.05533	1.7
202.06342	1.1
203.03510	2.3
203.07120	9.0
204.04320	0.8
204.07425	0.9
205.01468	2.5
205.05040	9.4
206.05362	0.6
211.03966	1.0
212.04880	0.5
213.05544	1.4
215.03496	2.1
217.05060	1.9
217.08549	0.5
219.02982	0.9
219.06703	0.7
221.08237	1.9
227.03496	1.7
227.07152	1.6
228.04327	1.3
229.05104	3.6
230.05704	0.6
231.02937	1.5
231.06578	1.0
241.05049	0.5
243.03072	2.8
243.06653	1.4
244.03619	0.5
245.02156	0.8
245.04565	8.0
245.08215	20.0
246.08519	1.1
247.06206	1.5
253.05052	1.2
254.05492	0.6
255.03033	10.0
255.06718	0.8
256.03714	4.3
257.04480	2.4
269.04596	2.7
271.06152	1.9
273.04135	4.2
275.91275	0.6
281.04639	5.5
283.02551	2.4
284.03207	0.8
285.04147	5.5
286.04459	0.6
287.02383	0.8
287.05655	15.3
288.02777	0.8
288.06049	1.5
289.07245	65.1
290.07605	4.7
297.04019	1.6
297.07883	1.2
299.05624	6.4
315.08945	0.6
321.07718	0.7
328.06049	0.6
337.09357	10.2
338.09625	1.0
339.08755	7.5
340.09338	0.6
341.06848	0.7
357.10223	0.6
363.08820	0.8
381.09821	2.0
389.06628	0.9
407.07788	72.2
408.08154	7.3
425.08865	85.4
426.09253	9.2
451.10425	20.8
452.10855	2.2
533.14697	0.7
559.12653	2.7
566.92450	0.5
577.13623	66.4
578.14001	10.7
780.08856	0.6
879.75739	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.238
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01776	2.6
69.03329	1.9
71.01271	1.8
81.03357	1.6
83.01275	2.7
83.04941	1.1
85.02837	1.5
93.03361	18.0
95.04926	1.2
97.02879	5.5
98.19700	1.7
108.58662	1.2
109.02872	19.2
111.04433	2.6
117.03376	1.1
119.04952	12.2
121.02887	2.6
123.00760	1.1
123.04443	11.2
125.02378	100.0
126.02749	2.8
133.02878	3.1
135.04440	3.4
137.02377	25.7
139.03944	4.4
145.02924	1.6
149.02431	5.3
151.03958	12.8
155.03423	2.3
159.04459	2.7
161.02399	27.9
161.06000	3.0
162.03351	1.1
163.00327	1.6
163.03941	11.7
164.01137	4.3
165.01883	6.6
167.03447	3.1
173.04529	43.8
173.05908	1.5
174.03201	1.2
174.04868	1.4
175.04004	10.9
177.01898	7.2
178.02725	1.6
179.03496	6.0
183.04573	1.2
184.76860	1.3
185.06047	1.9
187.03967	7.7
188.04837	2.5
189.05313	1.2
191.03828	1.7
191.05560	10.0
200.83888	1.3
202.06276	1.9
203.00203	1.2
203.03467	2.6
203.07106	9.1
205.01389	3.1
205.05006	6.9
211.52530	1.3
215.03549	2.1
227.07147	1.8
229.05080	2.9
243.03047	2.4
245.04636	7.0
245.08257	16.5
255.02989	9.4
256.03751	3.7
257.04614	2.2
269.04532	2.3
271.06235	2.3
273.03983	5.7
276.62564	1.3
281.04590	3.6
283.02588	2.2
284.94543	1.2
285.04117	3.2
287.05698	15.8
289.07272	54.4
290.07645	5.0
297.04153	2.7
299.05676	5.8
305.06729	6.3
337.09344	11.8
338.09576	2.3
339.08743	5.2
381.09711	2.3
407.07806	58.0
408.08170	4.8
425.08914	76.2
426.09360	6.8
451.10474	22.1
451.16348	2.1
452.10638	1.9
477.39777	1.3
559.12689	3.7
577.13721	65.3
578.13879	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	911.191
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00207	1.1
68.99737	0.3
69.46584	1.2
69.47012	0.9
83.01278	1.0
93.03330	0.2
95.01293	0.8
107.01295	2.7
108.02110	0.7
109.02875	3.0
109.19854	0.2
110.00015	6.4
111.00811	2.9
121.02865	1.7
123.00816	1.9
124.01575	0.7
125.02364	1.3
125.99506	0.4
133.02872	0.4
135.00821	0.7
136.01680	0.3
136.98727	1.4
137.02374	1.2
137.99533	3.1
139.00311	11.1
139.03943	0.6
141.98958	0.4
143.04961	0.3
145.02899	0.3
147.04404	0.3
148.01598	1.0
149.02394	1.4
149.99516	0.3
151.00314	10.7
151.03920	0.5
152.01106	1.5
153.01849	0.6
155.04921	0.5
157.06563	0.3
157.75015	0.3
159.04520	0.5
161.02422	0.4
163.00317	3.1
164.01131	1.6
164.98260	0.6
165.01775	0.6
165.99033	10.6
166.99829	4.9
168.00586	0.3
169.01390	0.9
171.04448	0.8
174.03136	0.6
175.03999	1.2
176.01123	0.4
178.99832	9.0
180.00446	0.5
183.04457	1.0
185.00818	0.3
187.03975	1.1
189.05580	0.4
190.99857	0.6
193.01402	0.7
193.98528	0.5
194.99339	1.1
197.02472	0.4
198.03191	1.1
199.03983	2.6
201.01912	1.1
201.05620	0.4
203.03503	1.1
206.99330	1.4
208.00163	0.6
211.04005	0.8
211.29253	0.4
213.01933	0.3
214.02670	1.3
215.03503	1.6
216.04219	0.8
217.01416	0.3
217.05098	0.6
219.02928	0.4
226.02734	1.1
227.03563	3.4
227.82562	0.3
229.01410	0.4
229.04951	0.6
231.02946	1.1
232.03705	0.5
242.02263	2.1
243.03027	7.4
244.03764	0.8
245.01019	0.4
245.04594	1.7
254.02263	0.7
255.03038	12.6
256.03555	1.0
257.04449	0.4
259.02475	2.2
260.03186	0.5
269.01065	0.3
270.01697	3.4
271.02539	39.1
272.02972	3.6
273.04071	1.1
283.02527	1.0
287.02042	13.1
288.02563	2.0
289.03314	0.4
297.00607	0.3
298.01004	0.4
298.53323	0.3
299.02048	10.6
300.02817	27.5
301.03568	19.7
302.04022	1.5
315.01550	2.4
316.02307	40.6
317.03070	37.8
318.03500	2.2
447.09433	45.4
448.09750	4.7
461.07422	0.6
462.07950	2.0
463.08923	100.0
464.09247	9.3
636.50616	0.3
881.30023	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.155
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00205	0.2
67.24138	0.1
69.54193	0.4
69.54616	0.2
70.32375	0.1
101.03915	0.1
106.84652	0.1
107.01314	0.2
108.02183	0.1
109.02872	0.1
117.03391	0.2
119.04972	0.1
121.02856	0.1
129.03378	0.5
133.02869	0.2
142.42641	0.1
145.02876	1.1
146.03304	0.1
147.04437	0.2
148.01694	0.1
151.00308	0.9
155.62746	0.1
157.02913	0.7
161.02435	0.2
163.00333	0.2
163.03908	0.4
169.01389	0.1
173.02390	1.4
178.99872	0.5
184.01590	0.1
185.02412	2.6
186.02708	0.1
189.01883	0.4
190.99866	0.4
191.03490	0.2
199.00375	0.2
200.01089	0.2
201.01921	2.1
202.02284	0.1
206.02197	0.3
211.03969	0.1
213.01991	0.2
217.01375	0.4
221.04529	0.5
226.99889	0.5
227.03574	0.2
228.00647	0.3
229.01425	4.1
229.05078	0.1
230.01810	0.2
240.00598	0.1
243.03070	0.8
244.00130	0.1
245.00943	1.6
245.04652	0.1
246.01346	0.1
254.02144	0.2
254.99269	0.3
255.03038	2.0
256.03445	0.2
257.00961	1.9
258.01147	0.1
271.02557	4.3
271.80576	0.1
272.00302	0.1
272.02853	0.4
273.00507	0.3
273.04053	0.1
282.98874	0.1
283.02274	0.1
283.99695	3.2
285.00235	0.1
299.01917	0.1
299.99240	2.9
300.02856	8.2
300.99969	100.0
302.00311	6.4
302.03586	0.2
302.45343	0.1
493.31866	0.1
609.14746	17.1
610.15088	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	907.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00210	0.3
65.03860	0.1
65.53843	0.1
65.58270	0.1
69.29297	1.4
71.01275	0.5
85.02849	0.2
87.00765	0.2
89.03877	0.1
92.84146	0.1
93.03368	0.7
95.01285	1.0
97.02875	0.2
97.72913	0.1
99.00787	0.2
105.03360	0.4
107.04927	0.2
108.02084	0.1
109.02865	0.3
111.00758	0.2
113.02344	0.2
117.03395	1.1
119.01318	0.4
119.04939	0.6
121.02888	0.8
123.00799	1.8
123.04415	0.3
125.02378	3.3
126.02739	0.2
129.03423	0.4
131.04993	0.2
132.02103	0.4
133.01849	0.2
133.02887	5.0
134.03177	0.2
135.04454	1.1
137.02362	0.4
139.00305	0.3
139.03938	0.3
145.02893	3.9
146.03392	0.2
147.00829	0.2
147.04491	1.5
148.01569	0.3
149.02380	2.1
151.00276	0.3
151.03978	0.2
157.02913	1.0
158.03720	0.2
159.00856	0.2
159.04517	0.9
160.01636	0.8
161.02412	4.4
163.00301	0.3
163.03961	2.9
164.01093	0.3
165.01941	0.3
166.99835	0.3
168.00584	0.3
169.01385	2.3
169.02800	0.3
173.02391	4.4
174.03104	0.2
175.03964	1.9
176.01045	0.2
177.01944	1.0
177.05424	0.2
179.03479	0.4
185.02411	2.7
187.00352	0.2
187.03978	0.5
188.01146	0.6
189.01906	9.6
190.02611	1.2
191.03471	1.5
193.01299	0.3
200.01094	0.6
201.01932	3.9
202.02505	0.4
203.03502	2.6
205.01431	0.3
207.02878	0.2
213.01949	0.6
213.05507	0.2
214.02647	0.3
214.99969	0.2
215.03506	0.2
216.00638	4.7
217.01421	13.0
218.01994	0.7
219.02995	1.7
221.00958	0.2
221.04521	0.4
226.99963	0.3
227.03578	0.3
228.00667	1.4
229.01440	5.8
229.04967	0.3
230.02086	0.8
231.03006	2.2
235.02687	0.1
239.03539	0.2
242.02237	0.1
242.99359	0.3
243.02946	0.3
244.00166	8.2
245.00940	22.6
246.01524	2.5
247.02507	15.0
248.02869	1.0
249.04037	2.0
254.99406	0.2
255.03259	0.2
256.00211	0.2
257.00952	4.6
257.04437	0.3
258.01672	1.3
259.02475	0.5
270.98947	1.7
271.02026	0.2
271.99643	3.0
273.00461	58.1
274.01001	4.8
275.02045	14.3
276.02350	0.9
283.02670	0.2
283.99713	2.2
285.00525	0.3
285.04044	0.6
286.01236	0.2
287.02127	0.8
288.02548	0.2
288.99741	0.2
289.07254	0.3
290.00748	0.4
291.01544	10.3
292.01889	0.3
299.99207	3.1
300.02576	0.3
300.99957	91.4
302.00293	5.7
302.03729	0.3
303.01102	0.2
303.05106	0.3
314.00812	0.4
315.01480	0.3
329.03082	0.9
335.04282	0.2
401.05136	0.2
419.06421	0.4
435.05984	0.2
437.07486	0.2
453.06924	0.3
463.05240	2.3
465.06461	0.1
481.06152	0.6
589.08643	0.2
615.06531	0.8
632.06342	0.3
633.07465	100.0
634.07843	10.7
634.16528	0.2
698.36877	0.2
721.32849	0.2
737.06409	0.6
755.07843	0.6
804.42944	0.2
907.08667	1.4
908.10034	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02282	0.5
65.00207	0.6
67.01770	0.2
69.03339	0.9
70.61805	0.5
72.24715	0.2
81.03369	0.9
83.01268	1.8
93.03362	0.5
95.01289	0.5
95.04929	0.8
97.02854	1.8
107.01289	3.2
107.04906	0.2
108.02111	1.1
109.02860	6.4
110.03233	0.2
111.00793	0.7
117.03376	0.2
119.01283	0.2
121.02866	2.2
123.00779	1.4
123.04437	2.7
124.01595	1.2
125.02366	46.1
126.02702	1.0
127.00298	0.2
135.00806	0.7
135.04459	0.5
136.98790	0.2
137.02377	5.4
138.02846	0.2
139.00328	0.7
139.03912	0.8
140.01076	0.6
145.02893	1.5
146.03706	0.4
146.80655	0.2
147.04410	0.3
148.01559	1.0
149.02397	2.2
150.03192	0.4
151.00310	9.1
151.03934	3.5
152.00911	0.2
153.01891	0.3
157.06578	0.2
159.04474	1.3
160.05139	0.2
161.02394	0.6
161.06030	1.4
162.03117	0.2
163.00325	2.4
163.03961	0.4
164.01105	1.7
165.01892	1.8
166.99777	1.0
167.03456	0.7
168.00632	1.0
169.01381	61.6
170.01721	1.8
173.06018	0.3
174.03127	0.2
175.04015	0.9
175.07578	0.3
178.99829	4.9
179.03447	1.6
183.04468	0.6
185.06070	0.7
187.03990	1.8
188.04721	0.9
189.01961	0.2
190.99832	0.3
192.00600	0.5
193.01396	2.8
199.03891	0.2
201.05557	0.7
202.06343	0.4
203.03540	0.5
203.07120	3.2
204.07463	0.2
205.01549	0.2
205.05054	2.2
211.02335	1.6
211.04198	0.8
212.04720	0.2
213.05464	0.2
214.02708	1.0
215.03496	0.6
216.04312	0.4
217.04961	0.3
221.08141	0.8
225.05623	0.2
226.02654	1.2
227.03517	2.2
227.07170	0.7
228.04039	0.4
229.05083	0.8
231.03081	0.4
239.03476	0.3
242.02130	0.8
243.03023	7.0
244.03644	0.5
245.04544	1.2
245.08221	5.0
246.08528	0.2
247.02451	0.3
247.06114	0.4
253.05035	0.6
254.02284	1.7
255.03024	18.1
256.03455	1.5
256.93155	0.2
257.04617	0.3
259.02527	0.7
259.06238	0.4
270.01749	0.8
271.02505	42.8
271.05389	1.9
272.02948	3.9
272.06229	0.3
273.00861	0.2
273.04086	0.8
283.02560	1.1
287.02036	2.8
288.02728	0.5
289.07248	24.3
290.07562	2.0
299.02112	1.1
300.02811	69.1
301.03528	31.8
302.03995	1.9
303.05264	1.2
316.02295	15.1
317.02924	3.9
318.03470	0.3
331.04123	0.8
343.04382	0.3
364.40228	0.2
397.09265	0.2
441.08337	32.4
442.08734	3.8
463.08865	100.0
464.09204	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	901.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03338	6.3
71.00891	4.9
71.01276	97.8
71.04902	3.8
71.58989	3.5
72.99197	7.4
73.02834	9.4
75.00768	2.4
81.03344	5.3
83.01274	6.9
83.04920	3.8
84.13577	2.4
85.02856	13.3
87.00786	15.2
89.02341	45.7
93.03383	3.1
95.01301	5.0
97.02856	14.4
97.06483	3.8
99.00777	15.2
101.02354	45.7
109.02937	3.1
109.06467	5.4
111.04338	2.6
111.08050	7.7
111.72272	2.2
111.78770	2.4
113.02382	23.3
119.03455	13.6
121.02861	2.8
125.02354	22.8
125.09637	7.9
127.11189	3.0
141.01904	3.8
143.03447	9.2
161.04507	9.6
163.11209	11.7
167.03546	3.4
167.10707	2.6
169.12326	7.8
171.10223	73.6
172.10497	5.7
179.05556	10.4
179.10759	3.8
181.12323	11.8
183.13867	10.0
185.11740	6.7
195.13966	12.6
197.11795	3.2
199.04227	2.5
199.13396	33.0
201.11354	8.4
207.10239	28.6
208.10608	3.2
209.11864	10.2
211.13402	86.3
221.06682	6.8
223.13397	7.1
225.09239	4.3
225.11337	53.5
226.11591	3.4
227.12909	46.6
229.14415	3.3
235.08173	13.4
235.19138	2.7
243.12430	11.1
245.06673	4.0
253.09206	3.2
263.07748	2.8
274.40363	2.6
275.20328	6.3
277.21793	81.2
278.22003	6.7
287.07822	5.0
291.19763	71.5
292.20029	6.1
293.21295	88.0
294.21646	7.4
305.08771	5.4
323.09824	3.5
379.12448	17.0
380.12964	2.9
397.13611	100.0
398.13834	6.8
415.14682	31.7
427.16599	2.5
485.32706	3.2
551.23682	6.7
569.24323	3.4
607.26404	5.3
623.25708	4.0
625.27307	10.3
675.35779	4.5
883.47150	8.2
884.47748	4.0
901.48254	96.0
902.48578	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	901.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
68.52411	0.2
68.99698	0.5
69.03344	0.9
70.16447	0.9
70.36426	0.2
71.01272	100.0
71.04875	0.3
72.01614	1.2
72.99201	1.0
73.02837	3.0
75.00755	0.5
75.85389	0.2
81.03366	1.3
83.01272	1.4
83.04919	0.9
84.02042	0.3
84.37360	0.3
85.02834	3.0
87.00780	3.1
87.10545	0.2
89.02341	8.8
93.03374	0.4
95.01292	1.1
95.04927	0.8
97.02856	3.8
97.06519	0.4
99.00790	1.7
101.02346	8.2
109.02865	0.4
109.06508	5.3
110.03625	0.3
110.34966	0.3
111.00797	0.5
111.04454	0.5
113.02368	4.9
115.03957	0.3
119.03420	2.0
121.06487	0.4
123.04524	0.3
125.02364	3.5
125.09643	1.3
127.11204	1.1
135.08087	0.9
139.03957	0.5
139.07567	0.8
141.01852	0.5
142.02696	0.6
143.03432	1.6
149.04639	0.3
149.09657	0.5
153.09114	0.4
155.10719	1.1
158.06075	0.3
161.04495	1.5
161.09601	0.5
163.11232	4.1
171.10231	12.1
172.10555	0.6
179.05571	2.2
179.10701	0.3
181.12308	1.6
183.10332	0.4
185.04533	0.3
185.11829	1.2
186.24605	0.2
189.09218	0.8
197.11784	0.9
199.09734	1.0
199.13383	0.5
201.11311	8.6
202.11684	0.4
203.05553	0.3
207.10263	18.4
208.10576	1.0
209.11769	0.7
215.12914	1.0
217.07317	0.4
221.06657	1.2
225.11334	15.8
226.11679	0.9
235.08299	3.4
243.12428	1.8
253.09238	0.9
259.08490	0.2
263.07614	0.3
277.21790	32.1
278.22131	2.1
287.07813	0.7
291.23364	0.3
305.08890	0.9
323.09903	0.7
379.12570	2.6
397.13608	19.6
398.14056	1.1
415.14633	4.4
439.14508	1.7
457.15680	0.6
551.23486	0.4
569.25415	0.3
605.24982	1.6
623.25726	2.4
675.36566	0.7
857.46088	0.5
883.47058	6.7
884.47412	2.8
901.48462	3.4
902.48712	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99712	0.7
69.03349	1.4
71.01272	100.0
72.01611	1.4
72.99199	1.3
73.02834	3.7
81.03376	0.9
83.01280	1.6
83.04911	0.9
85.02837	3.2
86.00025	0.3
87.00779	2.7
89.02342	8.9
93.03369	0.3
95.01295	1.2
95.04927	1.1
97.02860	3.1
97.06504	0.6
98.20602	0.5
99.00772	1.6
99.04387	0.4
101.02345	8.2
107.04947	0.3
109.02872	0.6
109.06503	5.7
110.03660	0.5
111.00758	0.5
111.04467	0.6
113.02362	4.9
113.03149	0.3
119.03423	2.3
121.06489	0.4
123.00764	0.3
123.04407	0.4
125.02374	3.4
125.05975	0.3
125.09657	1.6
127.11214	1.2
131.03423	0.6
133.05025	0.3
135.08061	0.8
136.05202	0.4
137.02420	0.2
137.09657	0.4
139.07561	0.6
141.01881	0.8
142.02654	0.5
143.03484	1.6
149.04485	0.3
149.09633	0.6
153.09116	0.6
155.10724	1.3
161.04526	2.8
161.09705	0.7
163.11241	4.8
165.09068	0.3
167.03513	0.4
171.10226	18.6
172.10603	0.7
179.05559	2.2
179.10753	0.6
181.12300	2.2
183.10341	0.4
185.11781	1.5
189.09174	0.9
197.11877	0.9
199.09779	1.1
199.13420	0.8
201.11319	13.9
202.11671	0.6
207.10258	19.2
208.10623	1.0
209.11813	0.6
215.12912	1.0
221.06702	1.5
225.11330	21.6
226.11688	0.9
229.81268	0.4
235.08278	2.6
243.12369	2.3
253.09409	0.7
263.07724	0.8
267.12378	0.3
275.20438	0.3
277.21786	27.1
278.22076	2.1
287.07861	0.9
299.15030	0.3
305.08862	1.1
323.09848	0.4
327.30026	0.3
355.61746	0.3
379.12540	3.4
397.13593	14.5
398.13910	0.8
415.14688	4.3
416.15219	0.3
439.14703	1.0
457.16144	0.4
485.33057	0.3
551.23566	0.7
569.24609	0.3
579.23193	0.3
587.23761	0.4
593.76117	0.3
605.24371	1.9
623.25891	4.7
624.25989	1.0
641.26599	0.6
680.00903	0.3
721.29663	0.3
782.98560	0.3
803.67212	0.4
857.46149	0.5
883.47144	6.7
884.47668	2.3
901.48431	3.0
902.48535	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99718	0.3
69.03352	1.3
69.55350	2.2
71.01270	14.4
72.99193	1.2
73.02837	2.0
75.00768	0.3
78.95771	0.3
79.95603	0.3
80.02566	1.2
81.03349	1.8
83.01266	1.3
83.04917	5.0
84.02051	0.9
85.02844	3.4
87.00771	2.8
89.02335	11.6
89.25492	0.2
92.16682	0.3
93.03363	0.4
95.01311	1.3
95.04921	1.0
95.55286	0.2
96.95914	4.1
96.96880	0.6
97.02847	2.1
97.06501	0.5
99.00791	0.8
101.02347	9.9
109.06483	0.4
111.08068	0.9
113.02351	5.5
119.03413	3.0
121.10164	0.4
123.00855	0.3
123.04401	0.4
124.01589	0.4
125.02351	5.4
125.09611	0.6
128.38545	0.2
131.03447	0.4
135.08044	0.6
137.02307	0.4
137.46661	0.2
139.03947	0.4
141.01753	0.3
141.09180	0.3
143.03426	1.8
161.04524	2.5
163.11238	4.0
164.11639	0.3
165.12791	2.2
169.01350	0.4
169.12262	0.3
171.10222	1.0
179.05582	3.9
179.14449	0.6
181.12303	0.8
183.13927	0.5
191.10725	1.1
195.13866	7.5
196.14565	0.3
197.11774	1.0
199.13252	0.4
205.12479	0.4
205.15970	0.5
209.11813	85.2
210.12148	5.2
211.13383	4.2
212.13747	0.4
215.53352	0.3
221.06741	1.4
223.13409	5.3
225.66783	0.3
227.12898	11.6
228.13556	1.2
231.21146	0.6
235.08244	4.1
251.13097	0.4
253.09341	1.0
256.13168	0.8
263.07761	0.3
265.21817	0.5
275.20193	5.6
276.20529	0.5
287.07697	1.3
291.19794	1.1
293.21292	100.0
294.21622	9.1
305.08878	1.2
309.20682	1.8
323.09772	0.7
341.23355	0.3
379.12546	3.7
397.13580	32.3
398.13956	2.2
415.14670	13.9
416.15167	0.8
427.01645	0.3
485.33020	0.4
503.33926	0.3
589.25366	0.6
607.26190	1.8
608.26575	0.4
636.26508	0.3
673.34460	0.9
691.35809	1.8
692.36029	0.5
869.53528	0.3
901.47552	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
63.32623	0.3
69.03330	1.2
71.01269	15.9
71.39946	0.7
72.99199	0.8
73.02834	2.5
75.00761	0.6
78.95826	0.4
79.91625	0.3
80.02565	1.5
81.03353	1.5
83.01277	2.0
83.04916	6.1
84.02048	1.1
85.02850	3.6
87.00761	2.8
89.02341	12.2
93.03366	0.3
93.30206	0.3
95.01280	1.2
95.04915	0.7
96.95908	7.4
96.96873	0.7
97.02857	2.8
97.06483	0.5
99.00776	0.6
101.02345	11.6
109.02824	0.3
109.06508	0.5
111.08041	0.8
113.01614	0.5
113.02360	6.2
116.94381	0.3
119.03432	3.5
121.02922	0.3
122.67949	0.3
125.02374	4.0
125.06002	0.7
127.03895	0.5
131.03389	0.5
135.08086	0.7
137.02391	0.3
139.03920	0.4
143.03450	1.5
149.04497	0.5
151.03915	0.6
161.04501	3.4
163.11230	4.5
165.12805	2.6
167.03397	0.4
171.10129	0.3
173.83708	0.3
179.05595	3.7
179.10548	0.3
179.14374	0.7
181.12302	1.2
183.13857	1.0
191.10719	1.0
195.13887	6.6
196.14511	0.6
197.11777	0.9
199.13356	0.5
205.12097	0.3
205.15913	0.5
209.11816	100.0
210.12180	6.1
211.13408	3.3
217.07162	0.5
221.06709	1.5
223.13406	4.4
224.13831	0.4
227.12889	11.0
228.13455	1.1
235.08234	3.7
251.13013	0.5
253.09279	1.0
256.13165	0.7
263.07678	0.4
269.13989	0.3
275.20184	4.5
287.08005	1.5
289.07153	0.5
291.19727	0.6
293.21298	94.1
294.21640	8.3
300.99976	0.4
305.08875	1.2
308.51227	0.3
309.20901	1.8
323.09937	1.3
379.12582	3.1
397.13593	37.6
398.13940	2.8
415.14658	12.7
416.14975	1.0
434.85260	0.3
478.64340	0.4
568.26672	0.3
589.25409	0.7
607.26227	3.6
608.26935	0.7
636.25665	0.4
691.35779	1.2
814.39862	0.4
816.07050	0.4
883.46307	0.4
901.48151	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	1.0
69.56048	5.0
71.01276	13.2
72.99190	1.1
73.02834	1.9
74.00637	0.7
80.02547	1.2
81.03335	1.1
83.01283	1.8
83.04919	6.0
84.02063	1.0
85.02832	3.1
87.00790	3.9
87.50091	0.7
89.02341	11.1
90.42049	0.6
95.01289	0.8
95.04904	0.9
96.95905	2.2
97.02863	2.2
97.06517	0.7
99.00778	0.7
101.02348	12.3
109.06515	1.0
111.00808	0.7
111.08055	4.8
113.02363	6.2
119.03413	2.9
123.04475	0.9
125.02374	6.2
126.90279	1.1
139.03931	0.8
143.03458	1.5
149.09706	0.7
151.03813	0.7
161.04509	3.0
163.11218	4.5
165.12793	1.9
169.01445	1.2
173.32256	0.6
176.29317	0.8
177.12788	0.9
179.05540	3.9
181.12305	1.0
191.10631	0.9
192.23387	0.6
195.13821	3.1
204.18303	0.6
207.10239	1.6
209.11818	100.0
210.12149	5.7
221.06764	1.8
225.11435	0.9
227.12898	13.8
235.08266	3.8
247.20665	1.6
263.07681	0.8
287.07846	1.6
289.07141	1.1
291.19727	74.5
292.20071	5.1
293.21399	1.1
301.00055	0.7
305.08749	1.1
323.09787	1.7
379.12573	4.7
397.13596	37.1
398.14026	1.9
415.14624	9.0
416.14792	1.0
441.88379	0.8
589.24829	1.8
607.26099	3.1
671.33289	2.6
689.34167	2.4
881.45172	1.3
899.47589	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	1.1
71.01270	17.2
72.99194	1.4
73.02833	2.2
77.62868	0.4
80.02563	1.1
81.03333	2.7
83.01289	1.8
83.04920	6.2
84.02077	0.6
85.02855	3.9
87.00766	3.4
89.02338	14.9
89.55740	0.4
93.03419	0.7
94.92411	0.7
95.01292	1.2
95.04938	1.6
96.95913	0.9
97.02858	3.4
97.06500	0.6
98.20585	0.6
98.42558	0.4
99.00782	1.1
99.04406	0.4
101.02348	14.2
103.39059	0.4
107.04951	0.4
109.02885	0.6
109.06493	1.6
111.04408	0.7
111.08076	7.6
113.02356	7.4
113.03069	0.7
113.09657	0.4
119.03430	3.1
123.04446	0.5
125.02373	6.4
125.05997	0.7
131.03410	0.6
133.05046	0.4
135.08096	1.2
137.02397	0.5
137.09703	0.4
139.03955	0.7
141.01822	0.8
143.03445	2.1
149.04478	0.5
149.09613	0.4
161.04530	3.3
163.11240	5.7
165.12816	2.4
167.03448	0.4
167.10670	1.8
171.10124	0.5
177.12845	1.5
179.05585	3.7
179.10744	1.3
181.12355	1.3
191.10760	1.2
195.13885	5.2
199.06142	0.6
203.14423	0.6
207.10255	5.2
209.11818	98.2
210.12209	4.4
211.13359	1.2
215.47900	0.4
217.07158	0.5
221.06676	1.7
225.11308	3.3
227.12897	15.3
228.13260	0.5
235.08263	4.4
247.20647	2.4
251.13147	0.5
253.09351	0.7
259.08215	0.5
261.61356	0.5
263.07733	0.5
273.18704	1.1
287.07697	1.6
289.18304	0.6
291.19720	100.0
292.20032	7.7
293.21271	5.8
294.21622	0.5
305.08865	1.2
323.09894	1.5
329.21271	0.5
361.11520	0.5
379.12433	4.7
397.13580	37.6
398.13770	2.0
415.14667	10.2
495.26224	0.5
501.32562	0.6
503.66641	0.4
589.25458	0.6
607.26129	1.9
671.33020	4.3
689.34058	8.0
690.34009	1.1
881.45477	2.1
899.46448	3.9
900.48212	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.135
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00221	0.2
69.03327	0.2
70.95399	0.5
71.01263	0.4
73.02826	0.8
79.85801	0.2
82.02859	0.6
83.01295	0.4
85.02859	0.2
89.03873	0.2
91.05419	0.3
93.03346	0.9
95.01277	0.6
96.95921	0.5
97.02845	0.4
99.00776	1.5
103.05408	0.5
105.03365	0.7
109.02853	1.0
111.00770	0.8
115.05445	0.6
117.01860	0.3
117.03342	1.2
119.01327	0.5
119.04913	1.7
121.02872	1.1
121.06506	0.7
123.00809	2.0
123.04427	0.6
124.01586	0.7
125.02366	5.5
126.02695	0.3
129.03416	0.7
130.04150	0.2
131.04970	1.9
132.02129	0.5
133.02864	1.3
133.06516	1.6
135.04460	1.4
137.02379	2.6
137.05984	0.2
138.03159	0.3
139.00287	0.4
139.03905	0.3
143.04951	0.4
145.02887	3.3
146.03621	0.8
147.00821	0.7
147.04468	4.6
148.01579	0.9
149.02383	3.1
149.05992	1.2
150.03146	0.5
151.00273	0.4
151.03986	1.3
157.02863	1.3
158.03662	0.9
159.00822	0.3
159.04468	5.7
160.01656	0.3
161.02377	2.6
161.06018	2.3
162.03128	0.7
163.00296	0.9
163.03964	5.1
164.01117	2.4
165.01849	1.2
165.05595	0.3
166.99809	0.3
167.03479	0.3
169.01427	1.9
169.02806	0.3
172.01573	0.4
173.02412	3.5
174.03073	0.8
175.00420	0.4
175.03967	9.0
175.05481	0.5
176.01202	0.5
176.04308	0.6
177.01892	4.8
177.05539	3.1
178.99892	0.2
179.03467	0.9
179.07013	0.2
185.02411	3.5
186.03090	0.3
187.03989	3.7
189.01909	3.8
190.02692	3.4
190.99858	0.3
191.03476	10.4
192.00638	0.8
192.03819	0.4
193.01413	3.0
193.05025	1.0
200.01236	0.3
201.01936	4.4
202.02603	0.8
203.03490	19.3
204.00641	0.3
204.03954	1.0
205.01662	1.4
205.05054	15.1
206.02303	0.3
206.05367	0.5
207.03006	2.1
211.02412	0.3
213.01881	2.5
214.02737	0.7
215.03699	0.2
216.00633	0.8
217.01462	2.2
218.02153	0.6
218.99341	0.7
219.03009	4.5
220.03561	0.3
221.00916	0.4
221.04590	2.2
226.99886	0.6
227.03461	0.2
228.00664	0.4
229.01436	10.7
230.02086	1.3
231.03008	17.2
232.03325	1.0
233.00945	0.3
235.02431	0.7
235.06236	0.4
237.00426	0.6
237.04082	0.4
237.07689	0.3
243.03012	0.3
244.00140	0.4
245.00952	3.6
246.01479	0.3
247.02496	4.8
248.02931	0.5
249.04071	7.3
250.04498	0.3
251.02019	2.6
253.03595	0.2
257.00970	8.5
258.01697	2.9
261.04102	0.3
263.05649	1.3
265.03784	0.5
269.04425	0.3
270.99072	0.3
271.99585	0.3
273.00500	2.8
274.01187	2.0
275.02042	41.3
276.02383	2.2
281.06833	0.4
283.99692	2.6
289.03665	0.4
289.07300	0.5
290.00909	0.3
291.01492	0.6
293.03073	3.7
298.19299	0.2
299.99222	3.7
300.99963	100.0
302.00290	6.8
302.03690	0.3
304.46814	0.2
307.04648	3.1
319.00989	5.2
320.01117	0.4
325.05768	2.6
333.02728	0.4
337.02066	2.4
338.02438	0.3
350.99338	0.3
351.03625	4.3
369.04764	0.6
420.09448	0.4
476.12161	1.4
477.12854	0.2
483.18774	0.3
484.08963	0.5
492.11798	0.5
502.10052	0.9
520.11249	2.6
528.07959	1.0
536.10541	0.4
546.08984	5.3
547.09296	0.4
564.10089	4.7
565.10529	0.7
578.11597	0.7
596.12799	0.9
597.13739	0.3
600.15735	0.3
722.10400	0.3
766.09906	0.5
778.12781	0.6
794.12140	0.3
822.11548	3.3
823.12207	0.6
838.11090	0.4
866.10760	8.1
867.11566	1.5
880.12604	0.4
898.13159	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	897.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01271	100.0
71.27200	1.8
72.01615	1.7
72.99206	2.7
73.02835	4.4
74.69398	0.8
75.00770	1.8
81.03379	1.5
83.01283	2.6
83.04947	1.2
85.02846	5.7
87.00788	4.8
89.02338	14.4
95.01293	2.8
97.02852	5.3
99.00784	2.6
101.02348	14.0
104.52239	0.8
109.06501	4.6
111.00816	1.1
113.02366	6.8
119.03416	4.4
121.17860	0.8
121.74862	0.8
125.02361	5.6
125.09615	2.1
126.08421	0.8
127.11263	1.6
137.02364	1.1
143.03435	3.0
155.10715	1.4
161.04517	3.2
163.11218	2.8
169.92953	0.9
171.10223	51.1
172.10577	1.3
179.05589	3.7
181.08728	1.0
181.12234	1.1
185.11838	0.8
199.09769	8.0
201.11295	10.2
207.10246	15.1
209.11784	1.2
221.06712	1.3
221.11864	3.4
225.11330	10.0
235.08235	5.2
239.12833	1.3
243.12407	2.0
253.09329	1.3
255.23341	63.0
256.23657	5.4
277.21793	2.8
287.07846	1.4
293.21393	0.9
305.08975	1.9
323.09970	1.0
379.12585	8.2
379.47409	1.0
397.13623	40.5
398.13913	3.6
415.14590	8.8
605.24536	1.3
623.25262	1.1
729.35138	1.2
835.46857	3.0
836.47626	1.3
861.48956	9.9
862.48511	2.4
897.50714	9.7
898.51538	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	895.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
64.08225	0.3
69.03334	1.0
69.74751	2.0
71.01270	13.7
71.01666	0.7
72.99190	0.9
73.02840	1.4
75.00762	0.4
78.95837	0.3
81.03336	0.5
82.49593	0.3
83.01262	0.8
83.04905	0.4
84.41050	0.3
85.02856	2.3
87.00763	2.2
88.98692	1.1
89.01818	0.6
89.02341	8.6
91.39587	0.3
93.03279	0.4
95.01281	0.7
95.22707	0.3
96.95921	0.8
97.02839	1.9
99.00773	0.5
101.02345	7.3
109.02880	0.5
109.06499	0.7
113.02351	3.9
119.03406	2.3
125.02364	3.9
131.03439	0.7
143.03433	1.2
161.02328	0.4
161.04488	1.7
163.11237	0.6
167.03519	0.4
167.14386	1.0
169.01343	0.8
171.10170	0.7
177.09207	0.5
179.05563	1.8
183.13866	7.6
184.14177	0.6
192.11496	0.8
193.12360	2.3
199.09703	0.5
201.11266	0.5
205.12349	0.4
207.10229	2.4
209.11841	1.0
211.13387	100.0
212.13721	6.7
217.07095	0.4
218.09537	0.6
220.14687	4.4
221.06647	0.6
221.15459	11.1
222.09589	0.3
222.15768	0.7
225.11284	1.3
227.12793	0.6
231.54974	0.3
231.58003	0.3
235.08293	2.3
236.08284	0.7
236.10544	10.0
237.10913	0.8
250.89702	0.3
253.09409	0.6
253.14517	0.4
259.08276	0.4
263.07919	0.4
289.07062	0.5
293.17639	8.0
300.99878	0.5
305.08850	0.9
319.02344	0.4
323.09705	0.7
339.54831	0.3
346.84772	0.3
379.12573	5.3
397.13589	18.2
398.14032	1.6
401.23605	0.4
412.83911	0.4
415.14584	3.0
429.21381	0.4
591.26660	12.7
592.26959	1.5
609.27765	11.4
610.28070	1.9
623.25555	0.5
785.39972	3.4
786.39966	0.9
799.36969	0.6
803.40930	3.7
804.41217	1.1
817.38977	1.0
818.39465	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03358	3.0
71.01271	100.0
71.58176	1.7
71.58651	2.7
73.02850	6.6
80.02566	2.0
81.03327	3.3
83.01260	3.2
83.04905	3.9
85.02842	6.3
87.00774	4.1
88.98721	4.4
89.02351	16.3
90.93028	1.7
91.50043	1.7
93.12700	1.8
93.14677	1.7
95.00602	1.5
95.01304	4.0
96.95908	4.2
97.02846	7.2
99.00770	3.3
101.02350	17.3
109.06488	14.0
113.02363	9.5
119.03394	5.4
125.02363	11.7
125.09669	2.9
134.93422	1.8
135.04477	5.0
143.03392	2.3
161.02385	1.9
161.04588	2.7
163.11246	10.2
169.01299	3.5
170.54721	2.0
171.10193	7.3
179.05513	5.3
181.12257	4.0
183.13872	6.5
191.07108	2.0
191.49611	1.8
193.12221	1.9
199.09801	2.0
201.11290	6.7
207.10252	38.0
209.08116	1.9
209.11806	12.3
211.13391	81.6
211.15413	4.3
212.13675	3.5
217.29916	2.0
221.06656	2.4
225.11349	22.3
227.12868	9.5
235.03885	2.0
235.08176	3.8
243.12141	2.9
289.07343	2.1
311.05246	2.0
379.12204	2.1
383.22693	2.1
391.24594	2.5
397.13583	26.8
401.23361	5.7
415.14682	7.7
419.24622	3.4
605.24915	2.5
609.27332	3.8
623.25671	6.0
685.19751	2.6
799.37286	16.0
807.33093	2.1
817.39014	23.6
818.39734	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	893.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01765	0.4
69.03336	1.2
69.36523	2.6
71.01283	0.7
78.95800	0.5
79.01804	0.4
81.03353	1.0
83.01276	1.7
93.03373	0.6
95.01300	1.3
95.04909	0.6
95.76952	0.2
96.99249	0.3
97.02849	2.7
107.01307	1.3
108.02105	0.3
109.02863	7.0
111.00790	0.6
117.03426	0.3
121.02887	0.9
123.00816	2.5
123.04439	3.6
124.01588	1.1
125.02370	63.8
126.02709	2.2
133.02829	0.3
135.04469	0.7
136.98730	0.3
137.02374	7.0
138.01912	2.6
138.02930	0.5
139.00290	0.7
139.03928	1.0
140.01083	1.1
141.01836	0.3
145.02905	2.5
146.03653	0.3
149.02386	2.0
150.03163	0.9
151.00308	0.4
151.03951	4.2
159.04424	1.6
160.05136	0.5
161.02422	0.8
161.06006	2.0
162.03146	0.7
163.03958	0.4
164.01045	1.2
165.01840	2.3
166.99803	1.9
167.03438	0.5
168.00583	2.6
168.40573	0.3
169.01382	100.0
170.01736	3.6
173.06038	0.3
175.03987	0.6
175.07637	0.7
176.04523	0.3
176.29875	0.3
179.03464	2.4
185.06075	1.0
187.03986	1.5
188.04742	1.2
189.01984	0.3
193.01422	4.4
199.07681	0.2
202.06367	0.7
203.07143	4.9
204.07526	0.3
205.01360	0.4
205.05045	2.5
217.01218	0.4
221.08171	0.8
227.07178	0.9
229.05144	0.4
231.02986	0.5
245.08231	7.1
246.08737	0.5
247.06274	0.5
253.05061	0.9
259.06219	1.0
269.04614	0.3
271.06198	5.7
272.06915	0.3
273.00583	0.3
275.46378	0.3
287.05585	0.5
288.06339	0.3
289.07254	38.3
290.07635	2.6
295.54092	0.3
298.98450	0.3
300.99918	0.8
303.05176	2.0
313.05762	1.5
331.04770	1.6
394.75031	0.3
397.08905	0.6
440.07574	0.9
441.08356	70.1
442.08728	7.3
451.10092	0.2
452.08313	3.2
457.16632	0.3
460.62427	0.3
772.58960	0.3
860.24670	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98726	0.4
68.51781	0.4
68.99738	0.4
69.03342	1.3
71.01272	16.2
71.31822	0.9
72.99195	1.0
73.02844	2.9
75.00790	0.4
78.95808	0.6
81.03352	1.0
83.01299	1.2
83.04911	0.6
85.02847	3.5
87.00776	4.5
89.02341	12.9
91.03905	0.4
95.01292	1.3
97.02856	3.1
99.00777	1.1
101.02347	11.9
111.04492	0.6
113.02371	8.2
116.92825	2.1
118.18664	0.4
119.03382	3.4
121.02944	0.4
125.02367	6.8
125.09664	0.9
127.11185	1.8
131.03476	0.5
133.04959	0.7
141.01840	0.6
143.03467	2.4
149.04456	0.6
153.09203	0.4
154.06325	0.4
161.04585	3.5
167.03462	0.7
171.10226	100.0
172.10568	3.5
179.05580	3.4
185.11679	0.6
199.06052	0.8
209.11789	2.2
210.12143	0.8
213.11440	0.8
217.07237	1.2
221.06683	1.4
235.08255	4.8
253.09348	0.7
257.81931	0.4
259.08203	0.6
263.07797	0.5
277.21793	53.9
278.22168	3.9
279.23398	0.6
287.07834	2.6
290.36728	0.4
301.09521	0.5
305.08856	2.1
323.09976	1.3
361.11838	0.6
365.93756	0.4
379.12546	15.0
380.12936	1.1
397.13617	40.8
398.13998	2.5
402.04297	0.4
415.14642	7.8
416.14478	0.6
459.18652	0.4
466.02444	0.4
500.27963	0.5
551.23621	5.3
569.24744	5.3
649.47925	0.4
657.35065	1.7
675.36578	2.4
889.48260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98714	0.9
69.03345	1.8
70.32003	0.6
70.75356	1.5
71.01270	18.3
72.99207	1.5
73.02841	2.3
81.03356	0.8
83.01270	2.7
83.04930	0.7
85.02847	4.8
87.00761	5.3
87.04407	0.6
89.02335	11.7
91.03880	0.5
95.01275	1.3
96.22451	0.5
97.02849	2.7
99.00816	0.8
101.02344	13.5
111.04412	0.7
113.02358	8.4
119.03421	3.7
121.02876	0.8
125.02368	6.8
125.09645	1.1
127.11231	1.4
141.01910	0.6
143.03459	2.5
161.04503	4.3
167.03371	0.7
171.10220	100.0
172.10562	3.4
179.05577	3.4
199.06070	0.8
209.64996	0.5
217.07153	1.2
221.06453	1.0
235.08240	6.3
253.09447	1.1
259.08279	1.0
263.07730	0.6
266.48428	0.5
277.21774	68.8
278.22110	5.2
284.44061	0.6
287.07904	2.4
301.09222	0.7
305.08896	2.5
319.23007	0.8
323.09857	1.5
335.56763	0.5
361.11502	0.8
379.12524	19.2
380.12659	1.0
397.13577	47.1
398.13773	3.8
415.14691	8.8
430.43439	0.5
551.23511	3.7
569.24585	3.6
657.34650	2.4
675.35516	3.6
889.46942	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03346	1.0
70.90544	0.3
71.01273	15.6
72.01618	0.3
72.99207	1.1
73.02840	2.9
75.00762	0.3
80.02567	1.1
81.03355	1.9
83.01286	1.9
83.04922	5.3
84.02055	0.7
84.05234	0.2
85.02841	3.7
87.00774	4.1
87.04427	0.2
89.02340	12.2
90.02712	0.2
91.03918	0.3
91.36127	0.1
93.03358	0.4
95.00739	0.2
95.01266	1.1
95.04927	0.6
97.02863	2.5
97.06474	0.2
99.00774	0.9
99.04424	0.4
101.02351	12.1
107.52406	0.1
109.02857	0.4
109.06512	0.3
111.00768	0.3
111.04439	0.5
113.02362	6.6
113.05982	0.2
115.03943	0.3
119.03419	3.2
121.02859	0.3
123.04446	0.2
124.01627	0.2
125.02374	5.6
125.05996	0.6
127.03885	0.2
127.07626	0.2
129.01791	0.1
131.03423	0.7
133.05022	0.3
134.98891	0.2
135.08092	0.6
137.02242	0.1
139.03883	0.4
141.01862	0.4
143.03455	2.5
145.04955	0.2
147.11702	0.3
149.04517	0.3
161.04529	3.3
163.04030	0.2
163.11235	4.0
164.11601	0.3
165.12807	2.7
167.03395	0.2
179.05562	3.5
181.04916	0.3
181.12297	0.6
181.13770	0.1
191.10774	1.3
199.06107	0.3
199.13419	0.2
203.05641	0.2
209.11826	100.0
210.12167	5.1
217.07112	0.8
221.06703	1.4
227.12900	11.5
228.13237	0.7
229.14517	0.2
235.08246	4.9
236.08575	0.3
245.06706	0.2
251.12914	0.4
253.09250	0.9
259.08258	0.5
259.20752	0.2
263.07764	0.5
275.20169	0.2
277.21786	50.6
278.22137	4.3
287.07788	1.7
288.08112	0.2
305.08835	1.6
319.23013	0.2
323.09995	1.2
361.11578	0.3
379.12552	6.8
380.12762	0.5
397.13602	36.9
398.13892	2.5
415.14685	8.8
416.15048	0.6
589.25293	0.6
607.26111	1.0
609.89093	0.2
657.35364	0.2
675.35968	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
61.92626	0.1
68.99701	0.2
69.03337	0.6
71.01270	12.7
71.04934	0.1
71.37285	0.2
71.37627	0.2
72.01595	0.3
72.99197	0.9
73.02837	1.8
75.00771	0.2
75.62442	0.1
80.02557	1.0
81.03344	1.6
83.01279	1.3
83.04917	5.0
84.02069	0.7
85.02844	2.8
85.99964	0.1
87.00228	0.2
87.00766	3.1
88.01054	0.1
89.02337	10.1
93.03349	0.2
95.01300	1.0
95.04917	0.7
97.02853	2.2
97.06504	0.2
99.00759	0.6
99.04408	0.3
101.02347	10.0
102.02667	0.1
109.02879	0.4
109.06480	0.3
111.00784	0.4
111.04417	0.4
112.56017	0.1
113.02360	5.7
114.02696	0.1
119.03408	2.8
123.00829	0.2
125.02367	4.8
125.05995	0.4
126.02679	0.2
127.03915	0.2
127.07586	0.2
129.01790	0.1
131.03407	0.5
133.04999	0.3
135.08122	0.6
139.03918	0.5
139.07626	0.2
141.01840	0.2
143.03433	2.2
145.04944	0.1
147.11766	0.2
149.04533	0.3
152.45978	0.1
159.02908	0.1
161.04517	3.0
163.09839	0.2
163.11229	4.1
164.01303	0.1
164.11516	0.2
165.12805	2.2
166.13139	0.2
167.03421	0.4
169.04968	0.2
173.90981	0.1
179.05563	3.5
181.12347	0.6
185.04645	0.1
191.10774	0.8
199.06148	0.4
203.05659	0.2
209.11816	100.0
210.12151	5.3
217.07126	0.7
221.06676	1.4
223.13390	0.2
227.12886	10.3
228.13194	0.7
229.14503	0.1
233.11885	0.2
235.08234	4.4
236.08531	0.1
245.06720	0.4
251.12941	0.5
253.09352	0.8
259.08105	0.6
259.20731	0.1
263.07748	0.3
269.06677	0.2
269.13968	0.1
277.21774	41.8
278.22122	3.5
287.07779	1.7
291.23364	0.2
305.08871	1.6
323.09888	1.0
341.10950	0.1
379.12534	6.4
380.12784	0.4
397.13580	31.1
398.13907	2.1
413.18195	0.2
415.14658	7.7
416.14975	0.6
589.25116	0.8
607.26099	1.6
608.27039	0.2
657.35400	0.2
675.36176	0.5
797.84412	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	883.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98719	13.2
66.17702	0.6
68.46079	0.6
69.03349	1.4
69.36532	6.1
70.11292	0.6
71.01271	26.2
72.99184	2.2
73.02840	4.0
75.00761	0.8
76.08385	0.6
79.45286	0.6
80.02581	0.8
80.98455	0.6
81.03343	4.1
83.01280	2.3
83.04922	3.5
85.02841	6.1
87.00779	6.5
89.02339	18.2
90.02705	0.7
93.03355	0.9
95.01312	2.0
95.04935	1.5
96.95877	0.8
97.02850	13.3
98.50059	0.8
99.00784	3.5
101.02344	18.2
107.04925	0.8
109.06503	32.8
110.03628	2.0
111.00803	1.1
113.02354	10.0
119.03414	5.1
119.63987	0.7
121.06499	2.3
123.04408	0.9
125.02366	7.4
135.08069	5.9
136.05237	1.5
137.02376	0.7
139.03842	0.7
141.01764	2.3
142.02641	3.5
143.03452	2.7
161.04491	5.2
161.09642	2.6
163.11232	20.0
164.11571	1.1
179.05600	5.0
181.12358	4.1
189.09198	3.2
201.11383	3.9
202.09776	0.6
202.11594	1.4
207.10260	100.0
208.10593	5.1
209.11823	6.5
210.12160	2.0
221.06709	2.0
225.11342	44.9
226.11597	2.0
227.12941	0.6
235.08205	7.1
236.08298	0.9
243.12407	1.9
253.09370	0.9
255.23267	3.5
256.23666	2.5
257.23892	1.1
277.21790	52.2
278.22192	5.3
281.14258	1.0
287.07904	1.8
288.25800	0.7
299.15134	1.9
305.08838	1.9
323.09814	0.9
379.12555	7.1
380.12921	1.2
397.13589	44.3
398.13919	3.5
415.14709	13.8
443.19415	0.9
490.93140	0.8
587.23633	1.8
605.24597	7.9
623.25659	9.4
655.38770	0.8
865.45142	1.3
883.47156	54.6
884.47205	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	883.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98729	1.1
65.37334	0.5
66.38469	0.4
67.01781	0.5
68.99718	0.4
69.03350	2.5
71.01273	25.4
71.59810	0.6
72.99212	2.4
73.02835	4.9
75.00772	0.7
80.02567	1.1
81.03342	3.4
83.01280	3.2
83.04905	2.8
84.02067	0.7
84.24148	0.4
85.02839	6.3
87.00770	6.8
89.02343	19.4
89.02905	0.9
93.03354	1.0
95.01268	2.2
95.04938	1.2
97.02856	15.0
97.03482	1.0
99.00777	3.8
101.02351	20.2
107.04935	1.1
109.02838	0.8
109.06503	31.6
110.03661	1.9
110.06837	0.8
111.00823	1.1
111.04440	1.1
113.02359	11.5
119.03419	5.1
121.02906	0.5
121.06524	2.0
123.04415	1.3
124.01592	0.5
125.02369	8.5
125.09657	1.2
127.03886	0.5
131.03423	1.0
135.08096	4.4
136.05244	2.0
137.02353	0.5
139.03934	0.6
141.01830	1.7
142.02678	3.4
143.03436	3.4
145.05014	1.0
145.10207	0.4
146.14163	0.5
149.04466	0.8
151.03957	0.5
151.07573	0.6
161.04497	4.5
161.09671	1.4
163.11238	20.6
164.11554	0.8
165.09230	0.6
179.05518	4.5
179.10722	1.0
181.12355	3.7
182.12685	0.5
189.09210	2.1
201.11327	1.4
207.10260	100.0
208.10599	5.4
209.11784	3.5
210.12064	0.6
211.13351	0.5
217.07152	0.9
221.06662	2.8
225.11336	41.6
226.11577	2.2
235.08240	6.7
243.12390	1.4
253.09306	1.3
255.23207	0.9
256.23645	0.9
263.07687	1.1
275.20288	0.7
277.21790	66.7
278.22141	6.4
281.14096	0.9
284.58099	0.5
287.07794	2.7
291.23373	0.6
299.15024	1.3
305.08881	1.7
322.37378	0.5
323.09818	1.0
379.12521	5.7
397.13605	48.4
398.13910	4.2
415.14694	12.9
416.14886	1.3
441.34460	0.6
559.36536	0.8
587.23425	1.3
600.84546	0.4
605.24615	6.2
606.25201	1.1
623.25977	3.8
628.91748	0.5
675.36304	1.6
778.75354	0.6
865.46399	1.7
883.47174	50.8
884.47443	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	879.498
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98719	0.7
68.99686	0.7
69.03350	1.1
71.01270	100.0
72.01614	1.6
72.99200	1.6
73.02829	3.3
81.03371	1.2
83.01268	2.0
85.02828	4.2
87.00771	3.8
89.02341	11.0
93.03392	1.0
94.70548	0.6
95.01303	1.6
97.02851	4.4
99.00803	1.1
101.02338	8.7
109.06494	6.1
113.02357	6.9
119.03416	2.5
125.02325	4.4
125.09587	0.9
127.11221	0.9
131.73549	0.6
143.03426	2.2
147.40533	0.7
155.10596	0.7
161.04460	1.8
163.11255	3.8
171.10226	14.0
179.05565	2.4
181.12288	1.1
185.11835	1.3
189.09227	1.0
197.11703	0.7
199.09706	1.0
201.11290	11.3
207.10243	18.6
208.10625	0.8
215.12822	0.9
221.06612	1.4
225.11322	17.7
226.11769	1.0
235.08231	3.9
243.12460	1.8
255.23329	39.5
256.23694	2.3
277.21912	1.0
287.07907	1.1
288.16174	0.8
305.08844	1.2
323.16592	0.8
350.30579	0.7
379.12534	3.6
397.13599	19.5
398.13855	1.1
415.14670	4.2
438.60751	0.8
439.14584	1.6
605.24738	1.0
623.25885	1.6
653.37164	0.7
756.11804	0.8
861.48340	7.9
862.49335	3.1
879.49255	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	879.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98719	7.3
69.03344	1.8
70.74056	1.7
70.74387	0.7
71.01273	16.7
72.99183	1.7
73.02830	1.9
75.00753	1.1
78.95794	0.9
80.02579	1.0
81.03352	1.9
83.01304	1.2
83.04935	5.1
84.02074	1.5
85.02843	2.3
87.00776	3.7
88.98698	2.9
89.02335	14.8
93.03360	1.0
94.69398	0.7
95.01284	1.8
95.04927	1.2
96.95885	1.0
97.02879	2.0
99.00784	1.6
101.02348	13.0
113.02359	6.5
119.03423	3.0
123.00841	1.2
123.04414	0.7
125.02376	8.7
131.03412	0.7
137.02386	2.1
139.03905	0.7
140.02472	0.6
141.01868	0.7
142.48608	0.7
143.03423	3.2
145.02892	1.1
161.04517	2.8
163.11282	3.7
165.01965	1.2
165.12770	3.1
167.03477	0.7
169.01347	1.2
179.05605	3.6
183.13878	6.5
191.10657	1.0
193.12347	2.0
203.07166	0.8
209.11829	100.0
210.12181	4.1
211.13390	88.9
212.13828	4.4
221.06689	1.5
227.12900	14.6
228.13322	1.3
235.08218	4.2
253.09293	1.2
260.27652	0.7
287.07822	1.3
289.07172	1.9
300.99887	1.8
305.08948	1.9
323.10001	0.8
379.12634	9.2
397.13602	39.2
398.14026	2.4
415.14719	8.1
463.18475	0.8
548.08344	0.9
589.25226	2.5
591.26624	6.2
592.27338	1.2
607.26227	4.1
609.27722	9.9
656.14178	0.8
783.38232	2.0
801.39575	2.2
879.37390	1.3
879.60107	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00212	0.3
69.48313	1.9
69.92731	0.2
71.01248	0.2
71.89375	0.2
82.02876	0.2
89.03882	0.2
95.01289	0.3
105.03388	0.2
111.00840	0.3
117.03390	1.2
119.01295	0.3
119.04967	0.2
123.00801	0.8
125.02355	0.6
129.03391	0.5
131.01360	0.3
133.02863	0.7
143.01360	0.3
145.02882	3.7
147.04459	0.9
149.02356	0.2
151.00310	0.3
157.02898	0.9
159.04463	0.5
161.02388	3.0
162.03119	0.6
163.03918	1.2
164.01059	0.3
169.01364	0.4
171.00824	0.7
172.01659	0.5
173.02422	3.7
174.03003	0.3
175.00339	0.4
175.03944	1.4
177.01859	0.8
178.99812	0.7
179.03444	0.5
185.02397	2.3
187.00345	0.5
187.04024	0.3
188.01167	0.3
189.01903	3.6
190.02686	1.9
190.99783	0.5
191.03477	1.2
192.00621	0.3
199.00333	0.6
200.01176	0.5
201.01901	4.2
202.02393	0.3
203.03543	1.7
205.01384	0.5
205.05104	0.2
207.03017	0.2
213.01958	0.4
214.99908	0.4
215.03429	0.2
216.00539	0.6
217.01398	5.5
218.02138	0.9
219.02974	0.9
226.99902	1.0
227.03418	0.3
228.00490	1.0
229.01407	5.7
230.02019	0.3
231.02988	1.3
233.00949	0.6
233.04413	0.3
242.99426	0.9
243.02821	0.3
244.00136	1.2
245.00943	10.7
246.01559	1.0
247.02478	1.4
249.04005	1.7
254.04681	0.2
254.99399	0.8
257.00986	3.5
258.01682	0.6
259.02411	0.3
259.99625	0.3
261.00439	1.7
261.04312	0.3
270.98901	2.3
271.99713	1.0
273.00476	18.6
274.01114	1.8
275.02032	10.6
275.05081	0.3
276.02380	0.6
277.03555	0.5
283.99670	1.8
287.02054	0.6
291.01498	0.5
292.98972	0.2
298.98434	4.5
299.99136	4.3
300.99954	100.0
302.00305	5.6
303.01486	0.9
305.03098	2.3
316.99390	3.1
319.01028	0.5
331.00964	1.4
338.03552	0.2
349.02087	3.7
417.04709	0.2
472.09085	0.3
500.08432	1.7
514.10016	0.3
516.07892	3.2
526.06250	0.4
528.07764	0.6
532.11029	0.3
544.07471	5.9
545.07556	0.4
558.09039	1.7
576.10156	2.4
746.10382	0.3
802.09344	0.2
810.05920	0.3
828.07538	0.5
834.11096	0.2
846.08673	1.1
860.10461	0.3
878.10907	2.7
879.11719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98717	0.6
65.00204	1.0
67.01786	2.5
68.99708	0.9
69.03348	2.9
71.01275	2.0
72.89433	0.3
72.99197	0.9
73.02829	0.4
78.95784	0.3
79.01783	2.8
81.03346	1.3
83.01275	1.5
85.02814	0.5
87.00758	0.7
88.98707	5.0
89.93603	0.3
93.03355	0.4
95.01290	14.3
96.95939	0.4
96.99177	0.5
97.02845	3.7
99.00780	0.5
101.02351	0.4
105.03384	0.4
107.01303	12.7
107.04949	0.5
108.65749	0.3
109.02876	1.3
109.99990	0.8
111.00797	5.3
113.02363	0.6
119.04962	1.0
121.02882	0.9
123.00804	42.6
123.04441	1.0
124.01657	4.4
125.02370	100.0
126.02712	2.7
127.00302	1.8
129.86754	0.3
131.05016	0.3
132.02084	0.4
133.02879	0.7
133.06485	0.4
135.04451	0.6
136.98732	3.2
137.02390	1.7
138.03149	0.5
139.00317	8.4
140.01093	8.2
141.01888	3.2
142.18982	0.3
143.05005	0.4
145.02873	1.2
145.06503	0.3
147.04465	1.5
149.02457	0.4
150.03168	0.4
151.00314	4.2
151.03946	1.5
153.01888	0.9
154.99777	0.9
159.04465	1.0
161.02350	2.2
161.06044	0.6
162.03102	0.4
163.00247	0.5
163.03970	1.3
164.01076	0.7
165.01854	1.1
165.05560	0.7
166.02557	0.4
166.99818	9.7
167.03525	0.4
168.00604	12.8
169.01381	94.6
170.01704	3.6
173.02385	0.3
174.03156	0.4
175.03951	2.1
176.04382	0.4
177.01884	1.1
177.05551	0.6
178.02687	0.7
179.03433	1.0
181.01402	1.0
187.04001	0.9
189.01845	0.9
189.05600	0.3
190.02744	0.5
191.03473	1.2
193.01411	1.2
193.04985	0.6
203.03525	1.8
205.01401	1.0
205.05023	1.0
206.02042	0.5
207.03011	0.9
211.02455	3.4
215.03476	0.5
217.01582	0.4
217.05048	0.4
219.02965	0.9
221.04536	0.6
222.01778	0.7
229.37778	0.4
231.02980	1.0
231.57211	0.3
232.03545	0.4
233.00836	0.4
233.04655	0.5
234.01765	0.4
235.02463	0.5
237.04054	1.0
241.03551	0.4
249.03937	1.5
251.05571	0.5
261.04160	0.4
263.05600	0.4
275.01981	0.4
277.03421	0.6
289.07111	0.8
295.04675	1.0
297.06409	0.6
301.00000	2.0
302.00165	0.4
313.05832	1.4
332.26019	0.3
385.09579	1.5
387.10828	1.6
403.10461	6.9
404.10495	0.7
421.11536	8.3
422.11725	1.0
444.39951	0.3
493.72830	0.3
539.12158	0.9
555.11572	2.7
573.12585	7.4
574.12665	0.6
707.12622	8.5
708.12653	1.1
725.13788	32.7
726.14215	4.5
877.14948	81.0
878.15179	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	875.185
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00236	1.0
67.01782	1.2
69.03332	2.1
70.62392	2.1
70.62802	2.0
79.95677	1.0
81.03349	4.7
83.01281	13.3
89.03864	2.0
93.03368	11.0
95.01284	3.1
95.04926	4.0
96.95918	23.2
97.02865	8.5
105.03374	2.1
107.01287	2.7
107.04977	2.4
108.02075	1.7
109.02859	40.9
110.03208	1.0
110.09467	1.1
111.00796	1.0
115.05499	1.2
117.03391	4.9
119.04967	3.2
121.02838	7.0
122.03642	2.9
123.00815	3.2
123.04449	22.1
124.01584	1.8
125.02369	100.0
126.02731	3.2
131.04942	1.5
133.02892	19.3
135.04445	7.2
137.02374	53.4
138.03079	1.1
139.03949	6.1
143.05005	2.3
145.02895	16.9
146.03555	1.8
147.04413	1.8
149.02400	13.0
150.03195	2.9
151.03952	19.2
157.06512	1.6
158.03658	1.6
159.04453	15.6
160.05139	2.2
161.02397	69.9
161.06018	15.7
162.02983	5.0
162.06506	1.1
163.00296	5.1
163.04004	3.3
164.01158	7.8
165.01910	9.3
167.03467	2.6
169.01405	24.0
171.04510	1.2
172.05119	1.2
173.05968	1.7
174.03116	1.8
175.03964	8.6
175.07605	3.6
176.01137	6.3
177.01894	85.2
177.19514	1.3
178.02271	3.6
179.03418	7.8
181.06615	1.3
183.04437	4.2
183.08090	1.8
184.05183	1.5
185.02602	1.2
185.06044	9.4
187.03972	11.8
188.04747	5.0
189.01877	10.2
191.03543	1.2
193.01373	4.1
197.05894	1.5
199.04002	1.7
199.07629	3.9
201.01930	2.7
201.05582	7.4
202.06255	3.5
203.03531	5.9
203.07130	20.0
205.01355	4.0
205.05035	11.2
209.06076	3.3
211.03981	3.6
212.04814	1.4
212.18420	1.1
213.05508	3.3
214.02872	1.3
215.03471	4.7
215.07233	1.3
216.00652	3.4
217.01405	3.6
217.04939	1.8
218.05450	1.2
221.08252	2.5
225.05612	3.8
227.03540	9.6
227.07124	10.2
229.01555	8.7
229.05075	24.7
230.02095	2.4
230.05646	2.3
231.02998	2.4
237.05600	2.7
238.06163	1.1
239.03523	1.9
241.05017	6.7
243.02898	2.1
243.06691	6.4
245.04572	3.2
245.08206	28.0
246.08549	2.2
247.06194	2.3
251.03471	1.3
253.05113	7.9
255.02992	2.1
255.06595	3.4
256.03815	4.2
257.04572	3.3
265.05005	1.4
267.03299	1.3
267.06732	2.4
269.04614	11.4
270.05231	2.1
271.06183	96.5
272.06509	6.9
273.04279	1.8
273.07584	2.2
279.06653	5.3
280.03821	2.4
281.04581	15.7
282.05319	2.6
283.06076	7.5
284.06607	1.2
285.04318	1.4
287.05569	1.4
289.07248	87.2
290.07620	4.6
293.04642	2.2
295.02585	2.0
295.06100	3.6
297.04141	3.2
297.07840	1.7
299.05637	2.7
301.00027	3.0
303.05334	3.0
307.02570	3.0
308.03458	2.5
309.04327	2.3
309.07657	1.6
310.04822	5.0
311.02536	1.3
311.05759	6.5
321.04102	7.2
321.07764	7.2
323.05688	19.8
324.06003	1.6
325.03571	2.3
333.08127	1.3
335.05548	1.6
337.03366	2.3
339.05225	8.1
341.06790	1.9
347.05612	2.4
351.08835	1.6
361.07407	1.2
363.08990	1.7
365.06662	4.1
389.06589	3.2
391.08325	2.9
401.06653	4.7
402.07019	1.5
403.08099	1.7
407.07959	4.1
409.09708	2.3
415.08350	7.0
419.07950	13.7
420.08054	1.3
431.07642	3.9
433.03864	2.0
433.09412	38.4
434.09521	3.7
439.10812	9.3
441.08350	18.2
442.08783	1.9
447.07422	1.5
451.10486	20.4
452.10388	2.5
459.07318	11.6
467.13626	2.4
475.10773	1.7
490.47580	1.1
527.14240	1.2
535.10364	2.6
553.11517	43.4
554.11908	5.4
559.12549	2.1
571.12567	44.3
572.12939	6.8
577.95880	1.1
582.11481	5.5
583.12433	2.4
603.11646	2.5
661.17487	1.6
687.15704	2.4
688.14612	1.3
705.16144	25.4
706.16406	4.2
723.17291	88.1
724.17499	16.4
875.18707	13.0
876.19031	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
61.12688	1.4
65.00210	2.2
69.03361	2.3
71.61182	1.1
71.61606	1.9
77.52313	1.1
81.03326	3.1
82.91074	1.3
83.01263	11.9
84.44375	1.3
89.03880	2.4
93.03359	10.1
95.01279	1.9
95.04935	4.0
95.12814	1.2
96.95902	2.6
97.02863	7.2
105.03394	2.1
107.01308	2.2
107.04945	1.4
108.02081	2.4
109.02863	35.1
110.03185	1.4
117.03363	5.3
119.04948	3.0
121.02883	7.1
121.58431	1.1
122.03663	1.6
123.00798	3.6
123.04448	21.6
124.01562	2.1
125.02368	100.0
126.02736	2.3
133.02893	16.7
135.04439	7.8
137.02376	54.2
139.03915	5.3
143.04958	1.9
145.02896	18.6
146.03621	2.7
147.04436	2.4
149.02373	9.8
150.03127	2.5
151.00305	3.9
151.03960	15.4
157.06514	3.4
159.04474	14.6
160.05180	1.5
161.02400	72.1
161.06000	14.2
162.03023	5.1
163.00301	5.4
163.03952	4.2
164.01074	5.4
165.01900	8.7
167.03441	3.3
169.01361	27.0
169.06633	1.6
173.05972	1.6
173.33470	1.2
175.02605	1.5
175.03986	8.8
175.07628	2.7
176.01096	3.5
177.01895	80.4
178.02202	2.6
179.03418	8.5
183.04445	3.0
185.02441	2.0
185.06001	8.9
187.03981	12.3
188.04707	5.0
189.01935	12.8
193.01379	4.2
197.06010	2.4
199.04024	3.4
199.07626	1.8
201.01955	3.3
201.05537	6.9
202.06223	3.5
203.03491	6.1
203.07101	16.6
205.01431	4.1
205.05080	12.4
209.06096	4.4
211.03902	2.9
212.04642	2.5
213.05510	2.8
215.03505	5.2
216.00645	4.1
217.01471	6.4
217.05070	2.4
219.02953	2.9
221.08113	3.0
225.05615	4.5
227.03511	10.2
227.07053	10.4
229.01463	9.8
229.05048	23.9
230.05502	1.5
231.03052	3.2
237.05632	3.1
239.03391	1.5
239.07088	1.8
241.05098	6.5
243.03064	2.9
243.06625	4.9
245.04469	3.2
245.08237	24.6
247.06108	1.8
252.04289	1.4
253.05156	6.9
255.02980	3.8
255.06650	4.9
256.03680	3.1
257.04364	3.5
265.04987	1.5
267.02753	1.6
267.06653	2.5
269.04562	13.0
271.06183	90.9
272.06543	5.0
273.03973	1.7
273.07648	2.4
279.02866	1.3
279.06699	4.9
281.04608	14.9
282.05164	4.1
283.06183	8.1
285.04306	1.9
287.05496	2.3
289.07248	85.3
290.07520	3.8
293.04614	4.1
295.02618	1.7
295.06122	3.1
297.04163	4.7
297.07538	2.5
299.05652	2.6
301.00128	3.1
301.03372	2.9
303.05246	4.0
307.02408	2.9
308.03336	4.1
309.04141	2.6
310.04886	4.2
311.05569	7.4
321.04062	10.1
321.07751	12.4
323.05710	21.0
324.06067	1.6
325.03574	2.3
333.07690	2.0
337.03363	1.4
337.07037	1.7
339.05179	9.2
340.05588	1.6
341.06680	3.4
347.05753	2.4
359.05585	1.7
365.06702	3.9
389.06647	4.5
391.08340	5.3
401.06903	6.3
402.07367	1.4
407.07950	7.1
415.08340	6.4
419.07962	16.0
420.07953	1.8
431.07782	5.5
433.03986	1.9
433.09467	34.9
434.09775	1.6
435.10934	3.3
441.08371	16.9
447.09113	1.9
448.09702	1.7
449.09756	2.4
451.10501	20.1
452.10938	1.5
457.09103	1.9
459.07376	11.2
460.07800	1.7
467.13177	1.7
475.10849	1.4
535.10095	4.0
553.11542	50.2
554.11774	7.5
571.12585	51.9
572.12885	7.1
582.11743	5.6
583.12500	4.2
603.11871	2.1
687.15692	2.2
705.16162	23.3
706.16205	4.1
723.17377	85.6
724.17682	14.9
875.18640	15.3
876.19604	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	874.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98720	5.4
66.01095	0.5
70.74937	1.0
70.75282	0.9
71.01282	0.6
75.42676	0.5
85.02862	0.4
93.03347	0.7
95.01293	1.2
95.04934	0.5
96.95926	1.0
97.02856	0.6
107.01282	1.2
107.87883	0.5
109.02875	1.1
117.03365	0.7
119.04923	0.7
123.00792	2.9
123.04443	0.8
125.02359	12.0
132.02162	0.6
133.02907	0.8
134.03661	1.6
135.04413	0.6
137.02396	2.5
139.00288	0.9
145.02878	2.6
147.04439	1.0
149.02374	0.7
150.03267	0.7
151.00404	0.5
151.03970	1.3
159.04434	1.1
159.45024	0.5
160.01590	1.5
161.02400	2.7
163.03955	1.4
164.01088	0.8
165.01845	3.3
166.02263	1.0
166.99817	0.7
167.65906	0.5
168.00621	0.6
169.01389	7.4
170.01704	0.6
173.02386	2.2
175.02570	0.6
175.03969	2.7
177.01859	1.3
179.03458	1.2
180.04204	1.6
185.02432	3.2
189.01880	1.2
190.02641	0.9
191.03447	1.3
194.05905	0.5
195.06602	2.2
196.06908	0.6
200.01169	0.5
201.01901	4.3
202.02646	0.8
203.03543	3.9
204.19713	0.5
217.01447	1.4
217.51543	0.5
219.02950	0.9
225.07637	1.8
226.07965	0.9
226.99828	0.6
228.00502	0.7
228.31242	0.5
229.01450	8.1
231.02992	2.7
240.00377	0.6
245.00937	2.9
246.01534	0.7
247.02397	1.3
249.04047	3.5
257.00958	5.6
258.01663	2.3
271.06253	0.8
273.00439	2.1
274.01233	2.1
275.02051	23.9
276.02353	0.6
283.99741	2.3
289.04233	0.6
289.07086	2.2
298.98492	0.7
299.99127	3.9
300.99969	100.0
302.00311	7.0
349.47534	0.5
407.08060	0.8
433.09503	0.5
439.17648	0.5
440.23026	0.5
448.45334	0.5
547.88043	0.5
572.14185	1.6
573.12848	0.8
723.16986	0.9
874.14819	9.6
875.13574	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	871.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	1.3
65.56638	0.8
66.88099	0.7
71.01271	14.6
72.99194	2.2
73.02827	3.0
74.35713	0.7
75.00787	0.8
81.03373	0.7
83.01278	2.8
83.04894	0.9
85.02839	4.2
87.00768	2.9
89.02338	11.1
92.41763	0.7
95.01260	1.2
95.04874	1.0
96.94482	1.0
96.95906	2.9
97.02823	1.0
97.06474	3.0
101.02352	11.8
102.47171	0.7
109.02835	0.9
111.00820	0.7
113.02356	6.0
116.92754	1.3
119.03419	3.4
123.93947	0.6
125.02367	4.4
126.16153	0.8
134.40034	0.7
137.02406	1.0
143.03436	1.0
151.11218	11.6
152.11485	1.2
161.04523	1.0
163.03992	0.8
165.01898	1.2
169.12296	72.0
170.12656	2.5
195.10344	0.8
211.13408	1.4
213.11328	9.0
221.06628	4.1
235.08224	1.6
253.09418	0.9
260.27103	0.7
277.21765	18.4
296.05548	0.8
397.13477	2.5
587.78229	0.8
611.25745	2.5
753.56714	0.9
868.62964	0.9
871.47180	100.0
872.47577	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4924
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98696	0.3
68.99701	0.4
69.03342	1.4
70.55663	0.2
71.01269	17.4
72.99200	1.7
73.02832	2.7
75.00748	0.6
80.96426	0.3
81.03362	1.0
82.27736	0.2
83.01272	2.0
83.04918	0.3
85.02849	4.1
87.00772	4.9
89.02335	15.7
91.03918	0.2
95.01284	1.7
97.02846	2.8
99.00758	1.1
99.04431	0.3
101.02346	13.4
102.50810	0.2
103.00282	0.2
109.02852	0.4
111.00771	0.4
111.04414	0.6
113.02357	7.5
114.02686	0.3
115.03924	0.2
116.26369	0.3
119.03416	4.2
123.04414	0.2
125.02364	6.5
131.03453	0.5
133.05014	0.6
135.04440	0.2
139.03915	0.6
139.31584	0.2
141.01823	0.4
143.03430	2.7
145.05031	0.3
149.04509	0.5
161.04474	3.6
165.12849	0.3
167.03426	0.5
167.14337	0.8
179.05579	4.5
181.05058	0.3
183.13863	6.8
184.14261	0.3
185.04510	0.3
193.12302	1.4
199.06047	0.4
203.05618	0.2
208.16721	0.2
209.66675	0.2
211.13380	100.0
212.13747	4.9
212.15582	0.1
217.07178	0.9
221.06639	1.8
235.08244	5.4
236.08557	0.2
245.06619	0.4
253.09196	1.0
259.08142	0.6
259.20749	0.3
263.07843	0.4
275.20401	0.2
277.21771	61.0
278.22116	4.7
287.07730	1.8
291.23404	0.4
301.09363	0.3
302.28757	0.2
305.08820	2.4
319.22806	0.3
323.09836	1.3
361.11334	0.3
379.12518	10.2
380.12869	0.8
397.13577	43.2
398.13943	2.6
415.14621	9.1
416.15274	0.4
508.64246	0.2
591.26624	3.4
592.26752	0.5
609.27643	3.0
610.28113	0.3
657.35205	0.9
675.36047	2.1
869.48999	0.5
903.80371	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4924
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98713	0.6
66.68373	0.2
68.94668	0.2
68.99731	0.2
69.03345	1.3
70.61657	0.2
71.01269	14.7
72.99193	1.3
73.02840	2.5
75.00754	0.4
75.65885	0.2
78.95785	0.4
81.03345	0.8
83.01275	1.5
83.04897	0.4
85.02847	4.1
87.00279	0.4
87.00769	3.7
87.25977	0.3
89.02335	14.3
90.02666	0.2
95.01251	1.3
96.95913	3.6
96.96842	0.4
97.02850	2.6
98.19740	0.4
99.00790	1.2
101.02344	11.3
109.02882	0.5
111.00827	0.3
111.04386	0.5
113.02354	6.9
115.03841	0.4
119.03413	3.8
121.02879	0.4
125.02367	5.7
127.03955	0.4
131.03400	0.8
139.03911	0.4
141.01883	0.4
143.03429	2.2
143.12233	0.2
149.04485	0.4
155.10754	0.4
161.04495	3.3
167.03442	0.4
167.10748	0.4
167.14381	0.9
179.05571	4.0
183.13863	7.3
184.14299	0.3
193.12282	1.9
199.06087	0.5
211.13383	100.0
212.13727	5.1
217.07137	0.7
221.06592	1.5
229.66093	0.3
235.08226	4.4
253.09303	0.9
253.14487	0.4
259.08206	0.6
263.07684	0.5
274.58621	0.3
277.21783	44.2
278.22119	3.9
287.07690	1.3
291.23282	0.3
301.09415	0.4
305.08917	1.5
323.09848	1.0
361.11319	0.2
363.37460	0.2
379.12561	7.9
380.12674	0.5
397.13586	33.4
398.13992	2.2
415.14667	6.9
415.19479	0.2
423.45068	0.3
436.36212	0.3
565.12268	0.2
591.26526	4.2
591.56665	0.2
592.27338	0.6
609.27777	4.1
610.28088	0.7
618.92828	0.2
657.35126	0.8
675.36005	0.8
676.37134	0.3
825.12109	0.3
869.48267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	1.7
69.03329	1.9
70.63477	1.2
71.01272	18.1
71.58146	1.9
72.99193	1.8
73.02834	2.2
75.56577	1.2
78.95772	1.2
83.01266	2.6
85.02846	2.9
87.00774	4.1
89.02338	16.4
97.02829	2.4
97.24181	1.2
101.02351	15.7
113.02360	8.3
113.66676	1.5
118.15229	1.1
119.03408	4.9
125.02368	8.0
127.11176	2.7
143.03438	1.9
156.86937	1.5
161.04480	4.1
171.10226	100.0
172.10591	4.0
179.05453	2.9
221.06546	1.9
235.08253	5.8
255.23328	67.2
256.23676	5.2
277.21786	1.5
287.07709	1.9
305.08853	2.0
379.12549	23.1
397.13562	36.2
415.14709	6.0
551.23438	5.0
569.24933	2.9
635.36371	4.6
653.37708	5.8
794.49835	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	867.425
Annotation	Unknow
Peak:m/z	Relative Intensity
61.64686	0.2
61.98704	0.3
69.03339	0.9
70.16931	1.1
71.01266	8.1
72.38349	0.2
72.99193	0.8
73.02827	1.1
73.03216	0.3
80.02563	1.2
81.03340	1.5
83.01281	1.2
83.04916	4.9
84.02053	0.8
85.02840	1.9
87.00767	2.3
89.02333	7.2
93.03359	0.4
95.01277	0.8
95.04912	0.9
96.95924	0.5
97.02843	1.3
97.06477	0.3
98.20470	0.3
99.00778	0.7
99.45986	0.2
101.02348	6.0
104.36350	0.2
109.02869	0.6
109.06503	0.4
111.00795	0.3
111.04441	0.3
113.02340	3.4
119.03403	2.2
119.04919	0.3
120.64426	0.2
123.00777	0.6
123.04469	0.5
124.01669	0.3
125.02366	5.5
125.06003	0.6
125.09623	0.2
129.01842	0.4
131.03378	0.4
135.04468	0.3
135.08070	0.8
136.29141	0.3
137.02371	0.7
139.03966	0.4
141.01834	0.3
143.03450	1.2
145.02885	0.5
145.05034	0.3
147.11696	0.3
149.02441	0.4
150.03214	0.3
151.03940	0.6
161.02419	0.5
161.04504	1.6
163.03914	0.4
163.11218	4.3
165.01880	0.4
165.12761	2.1
167.03401	0.3
169.01405	1.5
171.10258	0.3
172.56920	0.2
177.01883	0.4
179.05606	1.9
181.04974	0.2
181.12291	0.7
190.99886	0.4
191.03560	0.3
191.10785	1.1
195.06740	0.3
199.06050	0.2
199.13304	0.4
206.02225	0.6
209.11818	100.0
210.12141	5.2
221.06699	0.6
227.12895	16.0
228.13312	0.6
235.08264	2.3
251.12863	0.4
253.09361	0.6
259.08249	0.4
287.07773	1.2
289.07330	0.7
300.99948	1.0
305.08832	1.1
323.09851	0.8
342.50989	0.3
379.12500	3.5
380.12723	0.3
397.13608	21.4
398.13950	1.0
415.14664	4.8
416.14932	0.3
575.89563	0.3
589.24725	1.5
607.26080	2.8
625.27136	0.3
637.25562	0.3
799.38129	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02293	0.2
65.00191	0.3
69.46895	1.2
70.12189	0.1
81.03352	2.3
83.01264	0.9
91.01775	0.2
93.03351	2.2
98.19821	0.3
104.33518	0.1
107.01301	0.8
109.02828	0.3
119.04936	2.1
123.04444	7.1
124.04736	0.3
125.02373	4.1
129.57161	0.1
131.04912	0.2
132.02100	0.2
133.05182	0.1
135.00763	0.2
135.04468	0.2
137.02371	0.2
143.04945	0.3
149.02397	0.5
151.00308	1.4
153.01855	0.3
157.06537	0.2
159.04501	0.3
163.00307	1.0
163.03836	0.1
164.01151	0.2
165.01891	0.2
167.03452	22.6
168.03769	0.7
169.01361	0.3
169.06506	0.3
171.04413	0.4
175.03929	0.2
178.99860	0.2
179.03444	2.2
183.04492	0.3
185.06052	0.8
187.03940	0.8
188.04193	0.2
188.62061	0.1
189.05544	1.0
190.02664	0.2
191.03461	0.5
195.04448	0.3
197.06078	0.2
199.04033	0.3
201.05569	0.2
203.92928	0.1
211.03969	0.9
211.07355	0.1
212.04678	0.3
213.05534	0.6
221.48149	0.1
227.03500	24.1
228.03915	1.6
229.05052	4.0
229.08574	0.2
239.03529	0.6
240.03992	0.3
241.05055	0.6
255.03021	35.5
256.03604	5.4
257.04575	2.2
267.03104	0.3
273.07745	37.8
274.08093	2.6
283.02499	0.1
284.03323	44.5
285.04083	44.2
286.04428	2.6
297.07660	0.2
301.00049	0.3
327.05371	0.3
431.09912	100.0
432.10257	9.6
433.10834	0.4
434.10651	0.3
435.13089	6.4
436.13419	0.7
456.18817	0.2
797.35236	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
60.29426	0.2
69.30547	2.5
71.01273	0.5
72.15842	0.2
72.93968	0.2
79.05429	0.4
81.03333	0.4
82.02874	0.5
89.03866	0.3
91.05404	0.3
93.03362	0.8
95.01291	0.7
99.00797	1.0
101.03874	0.3
103.05444	0.5
105.03396	1.3
107.04942	0.5
109.02845	0.9
111.00802	1.4
115.05431	0.7
117.03347	0.6
119.01300	0.3
119.04958	1.7
121.02869	1.2
121.06522	1.1
123.00786	1.4
123.04439	0.8
124.01576	1.1
125.02383	4.0
129.03391	0.7
130.04208	0.5
131.01299	0.3
131.04945	2.3
132.02080	0.4
133.02884	1.4
133.06488	1.1
135.04449	0.9
137.02385	2.3
139.03969	0.5
143.04965	0.5
145.02911	2.6
146.03633	0.5
147.00812	0.7
147.04468	3.9
148.01578	0.3
149.02388	4.4
149.06050	1.8
151.03917	1.0
155.43211	0.2
157.02887	1.0
158.03668	0.8
159.04475	5.7
160.01575	0.4
160.04927	0.3
161.02409	2.2
161.06007	2.4
162.03114	0.9
163.00375	0.6
163.03947	3.4
164.01091	0.8
164.04575	0.2
165.01883	1.0
167.03448	0.5
169.01392	1.4
173.02380	2.6
174.03036	0.6
175.00458	0.3
175.03967	10.3
176.00996	0.3
176.04649	0.4
177.01891	6.2
177.05522	4.2
179.03473	0.4
185.02415	2.9
187.03996	3.6
188.01050	0.3
189.01907	2.2
190.02666	3.0
190.99820	0.4
191.03447	3.5
193.01399	5.7
193.05051	1.0
201.01926	4.2
202.02499	0.5
203.03488	18.4
204.03954	1.5
205.01468	2.5
205.05046	13.9
205.07066	0.3
206.05444	0.8
207.02957	0.3
213.01892	1.9
214.02660	0.4
216.00690	0.7
217.01396	1.8
218.02051	0.4
219.02975	2.6
220.03444	0.3
221.00916	0.8
221.04550	4.3
222.01515	0.3
226.99767	0.3
228.00687	0.5
229.01434	9.3
230.02058	1.3
231.02992	15.7
232.00458	0.3
232.03311	0.8
233.00926	0.5
237.00429	1.8
245.00932	4.5
246.01544	0.8
247.02505	7.5
248.02994	0.7
249.04079	8.3
250.04443	0.5
257.00961	8.1
258.01596	2.8
259.02228	0.3
259.91098	0.3
265.03571	1.4
270.99118	0.4
273.00482	3.4
274.01291	2.0
275.02036	43.7
276.02383	3.0
283.99713	2.5
285.00220	0.3
287.05615	0.3
291.01669	0.6
293.03116	7.9
298.98325	0.7
299.99182	4.7
300.99957	100.0
302.00275	7.6
303.00497	0.6
318.97272	0.6
319.00980	8.2
320.01346	0.7
337.02100	6.5
338.02524	0.5
340.04495	0.4
358.05518	0.3
420.09586	0.8
476.12021	1.9
484.08939	0.4
492.11517	0.4
502.09790	1.0
520.10999	3.9
521.11511	0.6
528.08008	1.4
536.10492	0.4
546.09052	6.2
546.28912	0.2
547.09283	0.9
564.10181	4.1
565.10645	0.4
643.36224	0.3
677.95850	0.3
718.45996	0.3
766.08954	0.9
778.12689	0.9
783.72656	0.3
794.12195	0.4
822.11755	5.3
823.12347	0.9
838.11401	0.7
848.09198	0.3
866.10718	7.3
867.10846	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	865.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
68.95881	0.7
81.03326	1.2
83.01272	3.7
88.32628	0.6
89.03838	0.7
93.03333	1.2
95.01279	1.5
95.04920	1.2
97.02861	1.3
107.04926	2.0
108.02132	0.7
109.02861	9.7
117.03349	1.2
119.04961	0.9
120.89575	0.7
121.02906	2.2
123.00780	1.1
123.04450	7.8
124.01635	1.0
125.02370	100.0
126.02701	3.3
129.03426	0.8
131.04980	1.8
133.02892	5.5
135.04454	2.0
137.02380	14.3
139.03967	1.9
145.02896	2.2
147.04459	2.1
149.02396	3.9
149.05898	0.8
150.03140	0.6
151.03958	12.9
152.04279	0.8
159.04472	3.6
160.05136	0.7
161.02396	33.0
161.06059	2.1
162.02870	3.1
163.00340	3.9
163.03928	4.1
164.01091	6.1
165.01903	6.6
167.03442	1.8
169.01335	1.0
173.02400	1.7
173.06003	1.4
174.03127	1.8
175.02499	1.1
175.03966	17.8
176.01093	0.7
176.04306	1.0
177.01898	13.1
177.05481	0.9
179.03459	2.6
185.02502	0.9
187.03989	4.0
188.04623	1.1
189.01936	3.4
189.05603	1.1
190.02664	1.8
191.03502	2.2
193.05084	1.5
197.06129	1.0
199.03993	4.2
201.01903	3.1
201.05591	2.4
202.99899	0.7
203.03514	5.4
203.07175	3.5
205.01399	1.0
205.05084	5.2
211.04106	1.3
213.05504	0.9
214.02580	1.0
214.99928	1.0
215.03560	1.2
215.06989	0.7
217.01440	2.3
217.05060	9.3
218.01955	1.3
218.05437	1.1
219.02972	5.0
221.04497	0.7
225.05519	1.5
227.03508	1.5
227.07245	1.0
229.01402	2.3
229.05106	2.9
229.98834	0.8
230.01917	0.8
231.03070	3.9
241.05177	0.8
243.03020	25.4
243.06726	1.0
244.03453	1.5
245.01085	3.9
245.04597	9.9
245.08197	7.3
246.01355	2.0
246.05331	0.7
247.02612	1.9
247.06226	1.0
248.02924	0.9
249.04059	1.5
253.05153	1.2
255.03021	6.7
256.03796	2.6
257.00931	1.5
257.04703	2.1
258.01495	0.9
261.04083	8.0
269.04492	4.0
270.98837	2.0
271.06216	1.0
271.99280	0.8
273.00510	7.4
273.04144	1.9
274.00916	2.4
275.02057	7.4
276.02280	1.1
281.04630	2.4
282.01761	0.8
283.02634	2.4
285.04089	1.9
286.04956	0.9
287.05679	29.3
288.06122	1.9
289.07263	19.0
290.07538	1.3
291.01389	0.8
295.05762	0.9
298.98444	2.9
299.05701	3.2
299.99057	2.5
300.99966	34.5
302.00235	8.2
303.00797	1.4
315.08838	1.2
316.99353	2.5
323.05832	0.8
327.05551	1.0
329.06607	1.1
337.07428	0.8
339.08926	1.3
341.06778	0.8
363.05219	2.1
383.07950	0.7
387.05197	0.8
391.04733	1.5
395.07715	0.9
405.06125	8.0
407.07761	15.9
408.08072	1.4
413.08777	6.2
423.07269	6.1
424.08041	1.2
425.08798	7.2
449.08923	6.9
451.10550	6.6
467.10095	1.1
471.08499	0.7
525.08624	2.4
543.09381	6.4
545.08148	1.4
559.12335	1.1
561.10352	1.4
569.11188	1.4
575.12085	10.1
576.12909	1.4
577.13635	9.2
578.14087	1.6
587.12292	3.7
695.14191	10.0
696.14911	1.8
713.15515	4.7
714.16119	1.1
739.16608	2.5
847.08197	1.2
865.20313	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	865.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01768	0.6
69.03358	0.7
70.74591	1.1
81.03343	1.5
83.01270	4.6
89.03863	0.6
93.03352	1.3
95.01280	1.0
95.04926	1.4
96.95943	0.7
97.02870	2.2
105.03372	0.6
107.04927	2.2
109.02872	11.2
111.00799	0.7
117.03347	0.7
119.04958	0.7
121.02859	2.3
122.03640	0.5
123.04456	7.7
124.01642	0.8
125.02371	100.0
126.02699	2.9
131.04944	1.1
133.02885	5.8
135.04439	2.1
137.02379	13.7
139.03937	1.6
143.04988	0.7
145.02905	2.5
146.03415	0.8
147.04478	1.1
149.02380	4.7
150.03218	0.8
151.03949	11.0
159.04443	2.9
161.02397	30.6
161.06010	1.6
162.03008	2.4
163.00253	2.5
163.03957	4.3
164.01094	6.6
165.01881	5.7
167.03470	1.3
171.04413	0.6
173.02402	1.9
173.06036	1.3
174.03040	1.2
175.03975	14.9
176.01102	1.2
176.04321	0.7
177.01895	12.7
177.05493	1.1
178.02492	0.8
179.03433	2.4
183.04507	0.9
185.02353	1.0
185.05984	1.0
187.03986	3.8
188.04782	1.4
189.01836	3.5
189.05565	0.7
190.02548	0.9
191.01863	0.5
191.03381	2.5
192.03745	0.5
193.05051	0.7
196.62195	0.5
199.03963	4.1
201.01927	2.3
201.05527	2.6
202.02499	0.6
202.06273	0.9
203.03445	3.2
203.07135	3.9
205.01427	1.9
205.05013	3.4
211.03970	1.0
213.05530	1.2
214.02779	0.7
215.03404	1.2
217.01451	2.0
217.05043	6.1
218.01822	0.8
219.02968	4.3
219.06761	1.0
220.03418	0.6
221.08250	0.6
225.05478	1.3
227.03554	1.7
227.07227	1.2
228.04280	0.9
229.01437	1.5
229.05054	1.5
230.01956	0.6
231.02991	1.5
243.03027	19.8
243.06651	1.2
244.03458	1.2
245.01019	2.1
245.04584	9.2
245.08241	5.5
246.01402	1.3
247.02533	3.3
247.06032	0.7
248.02834	1.4
251.89384	0.6
253.04950	1.1
255.03040	5.5
256.03589	2.7
257.04544	1.2
261.04065	5.8
267.03134	0.7
269.04651	2.6
270.99005	0.8
271.06177	0.6
273.00479	4.9
273.04037	2.2
274.00812	2.6
275.02173	2.5
276.02490	0.7
281.04593	2.2
282.01828	0.7
283.02463	1.7
285.04025	3.0
287.05679	27.4
288.06122	1.4
289.07263	19.9
290.07724	1.5
291.01526	0.8
293.04712	0.9
295.02460	0.7
297.04105	1.1
298.98431	1.1
299.05573	3.4
299.99072	1.5
300.99979	18.7
301.03473	1.0
302.00311	10.5
303.00540	1.5
311.05893	0.7
315.08710	1.0
316.99594	0.8
322.61096	0.5
327.05463	0.8
329.06815	0.9
337.07275	1.0
339.08749	1.8
341.06821	1.4
363.05057	1.4
365.26328	0.7
381.10022	0.9
383.07404	0.7
391.04663	1.4
405.06158	4.7
407.07785	17.8
408.08298	2.1
413.08850	8.7
414.08566	0.7
423.07211	4.2
424.07645	1.0
425.08838	11.1
449.08920	6.1
450.09076	0.7
451.10422	6.7
467.09766	0.8
525.08337	1.6
533.11310	0.8
543.09412	4.2
544.08960	0.6
545.07758	0.8
559.12677	1.7
561.10657	1.7
569.11005	1.0
575.12054	7.8
576.12329	1.2
577.13605	9.4
578.14526	0.7
587.11951	3.4
616.12262	0.8
695.14142	9.5
696.14276	1.2
713.15210	4.5
714.15649	0.9
739.16565	1.8
865.20587	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	865.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
67.88543	0.5
71.01279	3.4
73.02857	0.8
81.03379	0.9
85.02856	1.2
89.02363	1.8
95.01283	1.3
96.95933	1.7
97.02888	1.6
98.20652	1.0
101.02369	2.0
107.01224	0.6
109.02910	0.6
109.06516	1.6
113.02382	1.2
117.03426	0.7
119.04947	1.4
121.02911	1.8
123.00813	4.5
125.02366	9.4
129.01930	0.8
133.02893	0.8
135.08046	0.6
135.94742	0.5
137.02354	0.8
145.02855	3.4
147.04468	1.6
149.02414	1.6
151.03973	1.3
157.02896	0.8
159.04399	1.1
161.02429	2.0
163.03966	2.0
163.11263	1.4
164.01024	0.9
164.04730	0.7
166.99773	0.6
169.01373	4.6
173.02397	2.8
175.03868	2.8
177.01904	1.6
179.03563	0.5
185.02357	3.2
187.03984	1.2
189.01961	1.7
190.02702	1.1
191.03493	2.7
191.05565	1.2
197.11852	1.2
201.01894	3.4
203.03467	3.6
207.10254	4.5
209.11818	8.8
211.13425	0.8
213.01929	1.1
217.01457	1.8
219.02939	1.5
225.11189	2.8
227.12874	0.8
229.01437	7.8
230.01929	1.2
231.03012	3.5
245.00966	5.3
247.02495	2.1
248.03314	2.9
249.04063	4.8
257.00916	4.9
258.01593	0.9
273.00375	3.4
274.01163	1.9
275.02039	12.1
276.02264	0.7
282.01257	0.6
283.99713	2.1
289.07339	1.1
291.01590	2.7
299.99191	4.0
300.99969	100.0
302.00363	7.3
338.21240	0.6
397.13541	2.5
401.09106	0.9
605.23877	0.7
695.16083	0.9
797.35895	1.3
815.36957	1.6
821.19611	1.3
833.38965	2.8
865.18341	35.5
866.18890	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	864.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98696	0.2
63.81652	0.2
69.18950	0.3
69.25993	0.4
69.26395	2.6
71.01289	0.4
82.02877	0.6
87.00770	0.7
89.03880	0.4
91.05434	0.9
93.03355	0.6
95.01299	0.9
95.04935	0.4
97.02878	0.3
98.33138	0.2
103.05450	0.5
105.03387	1.6
109.02849	0.5
110.43801	0.2
111.00824	0.4
115.05478	0.6
117.03364	1.4
119.04948	4.1
121.02856	0.9
123.00823	1.4
123.04475	0.6
125.02374	3.2
126.02706	0.5
129.03384	0.9
129.98912	0.2
130.04195	0.4
131.04970	1.6
132.02098	0.8
133.02890	1.5
135.04440	1.0
137.02403	0.8
145.02901	3.1
146.03720	0.4
147.04460	8.0
148.01607	0.7
148.04781	0.6
149.02431	1.4
149.06055	0.6
151.00264	0.3
151.03952	1.5
153.01938	0.3
157.02882	1.0
158.03719	0.7
159.04468	3.5
160.01611	0.7
160.52931	0.3
161.02403	6.5
162.03096	0.4
163.00337	0.6
163.03966	1.9
164.01120	0.8
165.01913	0.4
169.01398	1.7
173.02415	4.8
174.03108	1.1
175.03967	21.1
176.01065	0.8
176.04301	1.2
177.01892	4.8
177.05542	0.8
185.02414	3.0
186.02791	0.3
187.04054	0.5
189.01898	1.6
190.02606	0.7
191.03477	4.6
193.01363	0.4
193.05014	0.4
200.01131	0.8
201.01917	9.0
202.02562	0.9
203.03491	28.8
204.00664	0.9
204.03760	1.5
205.01407	1.5
213.01967	0.7
214.02650	0.2
217.01378	2.0
218.02101	0.4
219.02992	14.0
220.03485	0.7
221.00993	0.3
221.04546	0.7
226.99896	0.5
227.44235	0.3
228.00690	0.5
229.01451	10.8
230.01895	0.9
231.03006	2.3
232.00180	0.6
243.03120	0.3
245.00958	6.2
246.01720	1.2
247.02522	36.2
248.02870	2.3
249.04027	2.9
257.00946	4.6
258.01770	1.4
259.02139	0.4
270.99014	0.4
271.06357	0.3
271.99789	0.4
273.00488	6.0
274.01166	1.0
275.02039	20.0
276.02368	1.0
283.99692	2.8
289.07288	0.8
291.01538	9.6
292.01920	0.6
298.98419	0.5
299.99191	3.7
300.99966	100.0
302.00308	7.3
316.99509	0.5
330.56317	0.3
335.00504	8.6
336.00885	0.7
431.91953	0.2
474.10599	1.1
479.04611	0.4
484.08838	0.3
500.08344	0.6
502.10428	0.5
518.09576	4.4
528.07733	1.3
544.07788	0.4
546.08984	1.5
562.08521	13.1
563.08765	1.6
695.02020	0.3
776.11157	0.6
809.12366	1.3
820.10144	5.3
821.10693	1.1
864.08838	2.0
864.51471	0.3
865.09607	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00220	0.7
65.47296	0.1
71.01298	0.2
71.33817	0.2
71.34135	0.2
81.03345	0.2
82.02890	0.3
83.01271	0.3
89.03856	0.6
91.05421	0.2
93.03349	0.5
95.01289	0.8
95.04919	0.2
97.02869	0.2
100.00610	0.2
100.93432	0.1
101.03884	0.3
103.01863	0.1
104.46181	0.2
105.03363	0.5
105.19319	0.1
107.04919	0.3
109.02866	0.6
111.00789	0.3
112.70177	0.2
113.03927	0.2
117.03373	2.4
118.03732	0.2
119.01278	0.4
119.04942	1.2
121.02857	0.5
123.00774	1.1
123.04459	0.5
124.01510	0.2
125.01451	0.2
125.02367	4.3
129.03384	0.8
131.01326	0.3
131.04933	0.3
132.02090	0.5
133.02896	2.5
135.00807	0.2
135.04456	0.8
135.11865	0.1
137.02359	0.9
139.00316	0.2
141.03412	0.2
143.01289	0.5
145.02888	7.3
146.03398	0.4
147.00795	0.6
147.04468	2.1
148.01662	0.3
149.01384	0.2
149.02371	1.1
151.00401	0.3
151.03973	0.6
157.02948	1.1
158.03580	0.3
159.00853	0.7
159.04457	0.9
160.01529	0.5
161.02400	6.9
162.02986	0.6
163.00357	1.0
163.03969	3.9
164.01085	0.6
164.04431	0.3
164.98233	0.2
165.01903	0.6
169.01479	0.3
171.00818	0.9
172.01605	0.7
173.02405	7.4
174.03058	0.6
175.00313	0.4
175.03958	3.7
176.01094	0.5
177.01904	1.6
178.02505	0.2
179.03490	0.9
185.02406	2.9
185.03920	0.3
186.02969	0.2
187.00339	1.8
187.03917	0.4
188.01117	0.9
189.01903	8.7
190.02655	2.0
190.99925	0.3
191.03470	4.9
192.03792	0.2
193.01416	0.2
199.00362	1.0
199.03999	0.3
200.01164	0.9
201.01923	6.2
202.02402	0.8
202.99820	0.6
203.03481	3.0
204.03857	0.3
205.01404	0.8
206.02043	0.2
209.00760	0.3
213.01886	0.7
214.02634	0.3
214.99855	2.5
215.03394	0.2
216.00595	1.4
217.01418	11.1
218.02036	1.2
219.03003	2.6
220.03485	0.2
221.00871	0.2
226.99922	1.3
227.03458	0.2
228.00670	1.1
229.01442	8.5
230.01860	0.7
230.99422	0.2
231.02960	1.5
232.00053	0.3
232.03520	0.2
233.00946	0.9
235.02429	0.4
241.05092	0.2
242.02052	0.2
242.99394	3.7
243.03024	0.6
244.00087	2.0
245.00945	21.0
246.01358	1.9
247.02505	8.6
248.02818	0.8
249.04042	1.4
250.04424	0.2
254.99367	0.6
255.02982	0.5
256.06360	0.2
257.00964	4.8
258.01663	1.4
259.02350	0.4
259.99634	0.7
261.00449	2.9
262.00897	0.3
263.01978	0.3
267.03113	0.2
269.04532	0.2
270.98904	10.8
271.99564	1.9
273.00473	32.4
274.00946	3.3
275.02045	12.0
276.02374	0.9
283.02408	0.3
283.99692	2.2
285.04022	0.4
286.98483	0.4
287.02414	0.2
287.05658	0.6
288.99905	1.0
289.07208	0.5
290.00552	0.3
291.01501	2.2
298.98404	15.5
299.99109	6.1
300.99951	100.0
302.00305	7.1
302.03348	0.2
312.05444	0.2
316.99460	4.7
317.99777	0.2
319.01053	0.2
338.03375	0.4
407.07834	0.3
417.04739	0.4
433.03876	0.3
434.04938	0.2
444.09628	0.2
462.10571	0.2
472.08868	0.4
482.07141	0.2
488.08441	0.5
490.09930	0.2
500.08469	2.3
501.09543	0.3
516.07935	4.2
517.08246	0.4
518.09637	1.2
526.06531	0.7
528.07794	0.6
544.07465	7.1
545.07782	1.0
546.08795	0.2
575.11859	0.2
802.09357	0.3
810.06323	0.3
818.08472	0.7
820.10779	0.6
828.07104	0.5
846.08112	4.2
847.08929	1.0
864.09302	1.8
865.09467	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
60.59345	0.2
69.74985	0.4
69.75393	1.3
78.31495	0.2
82.02890	0.3
83.01276	0.3
89.03854	0.4
91.01729	0.2
91.05445	0.3
91.31973	0.2
93.03385	0.3
95.01276	0.8
101.03912	0.4
105.03368	0.4
107.04952	0.3
109.02847	0.8
111.00802	0.4
113.57788	0.2
117.03372	2.2
119.04944	1.5
121.02831	0.7
123.00799	1.0
123.04440	0.6
125.02370	6.5
129.03380	0.8
131.04889	0.4
132.02095	0.3
133.02890	2.2
135.04482	1.1
137.02382	1.7
145.02884	5.2
146.03412	0.2
147.00786	0.3
147.04463	3.3
149.02379	1.3
151.00360	0.3
151.03951	0.5
151.58104	0.3
153.41527	0.2
157.02884	1.2
158.03769	0.2
159.04457	0.9
160.01602	0.3
161.02391	6.0
162.03033	0.6
163.00317	0.7
163.03952	4.2
164.01102	0.5
164.04503	0.4
165.01883	0.6
169.01437	0.4
171.00777	0.4
172.01561	0.5
173.02408	6.1
174.03149	0.7
175.00359	0.3
175.03967	4.4
176.01062	0.5
177.01903	2.4
177.55954	0.2
178.99852	0.4
179.03423	0.5
185.02415	2.4
187.00302	0.8
187.03957	0.5
188.01180	0.4
189.01915	5.1
190.02681	2.9
190.99861	0.3
191.03481	8.5
192.03810	0.4
193.01468	0.5
199.00349	0.4
199.03935	0.3
200.01064	0.6
201.01920	5.3
202.02531	0.4
203.03491	3.9
205.01389	1.3
205.05009	0.4
213.01878	0.6
214.02780	0.4
214.99854	0.9
216.00528	0.9
217.01427	6.9
217.04811	0.3
218.02011	1.2
219.02992	5.1
220.03487	0.4
221.00977	0.3
221.04590	0.4
222.01776	0.4
226.99840	0.8
227.03477	0.3
228.00594	0.8
229.01427	8.5
230.01917	0.8
231.03004	1.8
233.00980	0.8
235.02541	1.2
242.99390	1.4
243.03021	0.9
244.00058	1.0
245.00938	15.5
246.01425	1.3
247.02502	14.4
248.02905	1.2
249.04022	1.2
254.99385	0.4
255.03056	0.4
257.00943	4.6
258.01566	1.1
259.99551	0.5
261.00421	1.5
261.04053	0.3
263.01968	0.7
270.98892	4.0
271.99539	1.1
273.00467	23.2
274.00961	2.3
275.02039	11.6
275.05127	0.4
276.02411	0.9
283.99655	2.5
285.00122	0.3
287.05652	1.0
289.00375	0.3
289.07227	0.8
290.00793	0.4
291.01501	3.0
292.02023	0.3
298.98416	5.6
299.99109	5.4
300.99948	100.0
302.00290	7.8
316.99414	2.1
338.02856	0.2
407.07584	0.7
425.09152	0.5
488.08423	0.4
490.09903	0.4
500.08542	1.0
516.07916	2.4
517.08649	0.3
518.09601	2.3
528.08112	0.7
544.07349	4.4
545.07556	0.5
575.11768	0.3
577.14038	0.3
603.49200	0.2
694.44470	0.3
707.66235	0.3
792.10400	0.3
802.08704	0.3
820.10223	1.1
821.11157	0.4
846.08093	1.2
864.09314	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01583	0.1
60.46834	0.1
67.01765	0.2
68.99677	0.2
69.03342	1.2
71.01271	17.5
71.04911	0.2
71.85043	0.1
72.01604	0.2
72.99200	2.0
73.02832	2.8
75.00758	0.5
77.72858	0.1
80.02561	1.3
81.03350	2.0
83.01277	2.0
83.04919	4.9
84.02069	0.8
84.05231	0.1
85.02846	3.7
86.00008	0.2
87.00230	0.1
87.00774	3.6
89.02339	13.8
90.02653	0.1
91.03909	0.3
93.03358	0.4
95.01287	1.3
95.04928	0.8
97.02844	2.3
97.06475	0.2
98.03223	0.1
99.00779	0.9
99.04411	0.2
101.02351	12.6
102.02663	0.3
102.03287	0.1
103.00304	0.2
103.03939	0.1
107.04922	0.2
109.02882	0.3
109.06508	0.4
111.00782	0.3
111.04445	0.7
113.02358	7.2
114.02713	0.3
115.03926	0.4
119.03424	3.3
121.02866	0.4
123.00794	0.2
123.04469	0.2
124.01569	0.3
125.02372	5.8
125.06013	0.4
125.09619	0.1
127.03949	0.2
129.01849	0.2
131.03424	0.6
133.05029	0.5
135.04448	0.1
135.08090	0.7
137.02357	0.2
139.03905	0.6
141.01720	0.7
143.02356	0.1
143.03445	2.4
145.04974	0.2
147.11739	0.3
149.04500	0.4
151.04007	0.1
157.04987	0.1
161.03189	0.2
161.04510	3.2
162.04807	0.1
163.11240	3.9
165.12804	2.4
166.13080	0.1
167.03445	0.5
169.05048	0.2
179.05573	3.4
181.05023	0.2
181.12280	0.6
185.04561	0.2
191.10782	1.0
199.06122	0.5
199.13361	0.1
203.05692	0.2
207.10214	0.1
209.11824	100.0
210.12169	5.7
210.15154	0.1
217.07175	1.0
219.05000	0.1
221.06703	1.0
225.11456	0.2
227.12901	13.1
228.13226	0.7
235.08258	5.7
236.08618	0.2
245.06705	0.3
251.12955	0.5
253.09340	1.0
255.23337	56.7
256.23682	4.1
259.08334	0.6
263.07773	0.3
269.06824	0.1
269.24918	0.4
277.09250	0.1
279.23428	0.1
287.07748	2.0
288.08176	0.1
297.24472	0.3
301.09363	0.2
305.08856	2.1
313.24185	0.1
323.09879	1.2
341.10608	0.1
361.11407	0.4
379.12540	9.2
380.12912	0.8
397.13599	40.0
398.13950	3.1
415.14682	8.0
416.14948	0.6
459.29901	0.2
472.94403	0.1
589.25269	1.0
607.26331	0.9
608.26849	0.2
635.36133	0.5
653.37720	2.0
654.38007	0.3
748.83435	0.1
863.49097	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5031
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01598	0.3
68.99699	0.6
69.03323	0.8
71.01270	17.1
71.42448	0.6
72.99191	1.3
73.02847	2.8
75.00764	0.3
80.02558	0.7
81.03351	1.3
83.01282	2.1
83.04917	4.9
85.02834	3.3
87.00766	3.4
89.02339	13.8
95.01287	1.2
95.04914	0.6
97.02874	3.0
99.00751	1.3
99.78711	0.3
101.02344	12.0
102.02754	0.3
109.02840	0.5
109.06482	0.4
109.88081	0.3
111.00753	0.4
111.04446	0.6
113.02360	6.9
116.37508	0.3
119.03409	3.3
121.02836	0.5
125.02363	6.2
125.06047	0.5
131.03424	0.9
133.05074	0.4
135.08058	0.8
137.02354	0.4
139.03989	0.4
141.01646	4.5
143.03452	2.6
161.04521	3.9
163.11244	3.7
165.12811	2.0
179.05583	3.0
181.12347	0.4
191.10713	1.0
199.06155	0.4
207.10175	0.4
209.11819	100.0
210.12169	6.4
217.07146	0.9
221.06699	1.4
227.12888	13.1
227.15163	0.7
228.13258	0.8
235.08287	5.1
245.06888	0.3
253.09361	0.9
255.23335	57.4
256.23682	4.2
259.08243	0.7
263.07822	0.3
269.24930	0.7
276.38126	0.4
287.07831	2.0
305.08826	1.7
323.09912	1.2
379.12558	7.9
380.12686	0.5
397.13596	39.1
398.13947	3.0
415.14682	7.6
416.14859	0.4
557.08618	0.5
589.25354	0.6
603.25372	0.4
607.26611	1.3
622.92700	0.4
635.36584	0.6
653.37671	2.0
830.39545	0.4
863.49438	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98719	3.3
65.57725	0.2
68.12660	0.3
69.03341	0.9
70.76965	0.6
70.77357	0.4
71.01272	9.8
72.99186	1.1
73.02839	1.5
75.00745	0.7
78.95795	0.3
81.03344	0.6
83.01305	1.2
83.04913	0.6
85.02848	2.2
87.00772	2.5
88.98710	1.4
89.02339	8.0
91.03936	0.3
92.07452	0.3
95.01297	0.5
96.53672	0.2
96.95914	0.5
97.02843	1.7
99.00768	0.5
101.02351	6.6
103.03925	0.3
109.02834	0.4
111.00751	0.3
111.04414	0.4
113.02363	3.8
114.50626	0.2
119.03419	2.1
121.02803	0.3
125.02374	3.6
131.03400	0.3
143.03433	1.0
145.02962	0.2
155.10686	0.3
161.04541	1.8
163.07579	0.2
165.12755	0.4
167.10719	0.4
167.14362	0.5
169.01315	0.3
171.10233	0.2
179.05591	1.9
179.31328	0.2
183.13870	7.0
184.14236	0.6
193.12314	1.8
211.13388	100.0
212.13722	5.2
217.07109	0.5
221.06615	0.7
235.08218	2.0
253.09177	0.6
253.14433	0.4
259.08371	0.4
263.07709	0.3
287.07794	1.0
305.08804	1.0
309.20670	0.4
323.09927	0.7
379.12521	4.8
397.13589	19.5
398.13998	1.6
415.14697	3.5
416.14853	0.3
429.21292	0.4
591.26740	9.4
592.27130	1.3
609.27759	9.1
610.28021	1.6
785.40240	1.8
786.40900	0.9
803.40942	1.4
804.41736	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
68.11143	1.0
68.45644	1.1
69.03331	2.5
71.01273	26.4
71.26436	2.5
72.99200	2.5
73.02848	3.1
75.00755	1.1
80.02592	1.4
81.03348	2.8
83.01276	2.9
83.04911	2.2
85.02860	6.8
87.00795	6.8
89.02340	20.0
95.01305	2.2
97.02847	10.3
97.06503	1.1
99.00783	5.3
101.02353	19.6
107.04895	1.5
109.06510	28.8
110.03629	1.8
111.04429	1.8
111.81692	1.0
113.02370	10.7
119.03442	5.3
121.06495	1.7
123.04371	1.2
125.02399	8.6
131.03416	2.1
135.08105	6.1
136.05238	2.2
141.01877	2.2
142.02672	3.5
143.03415	2.6
161.04480	4.2
161.09662	2.2
163.11244	17.5
172.63353	1.0
179.05579	4.3
179.10730	2.0
181.12318	5.0
189.09100	2.5
207.10269	100.0
208.10706	5.7
209.11786	3.3
217.07042	1.4
221.06694	2.4
225.11342	39.5
226.11761	2.6
235.08261	7.0
243.12529	1.3
255.23351	83.8
256.23593	6.4
270.84711	1.2
286.24496	1.1
287.07779	1.8
291.19791	3.3
299.15048	1.3
305.08975	1.7
379.12500	11.3
397.13614	61.2
398.13980	3.9
415.14679	13.2
428.10580	1.2
587.23450	2.4
605.24481	5.3
623.25647	4.0
623.84283	1.1
635.36133	2.0
653.37939	3.7
672.28882	1.1
843.48242	2.8
861.48828	61.8
862.48785	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	861.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
60.43338	0.7
61.98725	1.4
68.99689	0.7
69.03350	1.6
71.01269	31.0
72.99197	3.9
73.02840	4.5
80.02570	1.3
81.03368	4.4
83.01284	3.2
83.04919	2.6
85.02851	8.4
87.00773	7.0
88.98676	1.3
89.02337	21.6
90.02681	1.0
93.03367	1.3
95.01307	1.9
95.04932	1.1
96.94339	0.7
97.02851	14.0
98.19742	1.8
99.00789	3.1
101.02348	14.8
102.02676	1.0
107.20475	0.7
109.06506	32.8
110.03646	1.4
111.00788	1.1
111.04458	1.3
113.02361	10.3
114.02760	0.8
116.89153	0.8
116.92741	1.1
119.03442	6.0
121.06466	1.9
123.04395	1.0
125.02363	8.9
131.03502	1.1
135.08078	3.5
136.05257	2.0
137.02435	0.9
141.01901	1.5
142.02641	3.2
143.03406	3.7
149.04498	0.8
161.04524	4.1
161.09665	2.0
163.11252	17.8
164.11539	1.2
179.05577	5.4
179.10774	1.1
181.12302	4.4
189.09204	2.6
207.10260	100.0
208.10567	4.1
209.11874	1.6
221.06746	3.1
225.11328	37.8
225.25624	0.8
226.11710	2.1
235.08221	5.4
243.12305	1.8
255.23338	77.9
256.23737	6.0
287.07755	1.6
299.15002	1.0
305.08853	2.5
323.09998	1.4
379.12573	7.5
397.13605	48.1
398.13947	3.8
415.14661	11.8
416.14798	1.0
587.23682	1.5
605.24664	5.1
606.25574	0.8
623.25549	2.8
635.36896	1.4
638.06067	0.8
653.37775	2.1
843.48065	1.0
861.48743	57.7
862.49084	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	857.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
62.33845	0.5
63.02292	0.5
64.21642	0.5
64.88453	0.5
69.18340	0.5
71.01286	0.8
71.53234	0.6
71.53573	0.5
81.03343	0.8
83.01282	3.3
87.00765	0.5
93.03354	3.8
95.01279	0.6
95.04931	3.5
96.95911	1.2
97.02845	1.8
105.03351	1.7
107.01327	1.0
108.02086	10.5
109.02863	32.4
110.03236	1.1
117.03364	3.5
119.04937	4.2
121.02058	1.0
121.02867	9.4
122.03668	1.8
123.00785	1.5
123.04440	25.4
124.01552	0.5
124.04765	0.8
125.02363	9.2
131.04924	0.9
132.02097	0.6
133.02882	10.5
134.03647	0.5
135.04439	5.2
137.02347	4.3
138.03101	0.5
139.03932	4.9
140.00999	0.6
145.02876	3.5
146.03662	1.0
147.04454	2.6
148.01596	2.1
148.05223	2.3
149.02383	27.5
149.06006	1.4
150.03200	3.8
151.03957	15.1
159.04465	2.1
160.01628	1.0
160.05283	1.1
161.02388	100.0
161.06033	2.3
162.03026	6.2
163.00319	1.3
163.03955	66.9
164.01138	1.5
164.04243	3.0
165.01892	3.2
165.05554	1.1
166.99789	0.6
169.01369	3.9
171.04472	0.7
172.05292	1.4
173.02428	1.7
174.03174	2.8
175.02539	0.5
175.03960	12.0
176.04306	0.7
177.01907	1.1
177.05501	2.6
179.03444	3.2
180.04160	0.8
181.04944	1.0
184.05128	0.6
185.06087	1.3
187.03947	2.4
187.07642	1.1
188.01111	3.8
188.04759	1.1
189.01897	11.0
189.05544	1.0
190.02599	1.2
191.03496	2.7
194.05841	0.6
195.04732	0.4
195.06602	1.7
201.01921	3.1
201.05531	1.7
202.02707	10.2
202.06288	0.6
203.03491	11.7
203.05351	1.0
203.07108	1.9
204.04022	1.3
205.05034	3.8
207.02921	1.2
211.03987	0.7
211.07646	0.5
212.04909	0.6
213.05627	0.7
213.97354	0.5
216.04247	1.6
217.05058	0.8
219.02994	3.0
220.03583	0.6
221.04517	0.6
225.05379	0.7
226.06316	1.0
227.03488	1.0
227.07010	0.8
228.07806	0.6
229.05106	1.1
229.08766	0.9
231.03053	0.9
231.06671	1.4
236.09978	0.5
239.03381	0.5
241.05026	1.4
243.06711	0.6
245.08232	1.5
247.06128	1.8
252.22864	0.6
253.04965	0.7
255.03035	0.7
255.06580	0.9
256.03790	0.7
258.05307	0.8
265.05020	0.7
267.02902	0.8
268.03778	0.6
269.04562	1.5
270.05502	3.1
271.06161	2.4
273.07816	1.2
279.06662	0.6
281.04480	0.8
282.05380	1.3
283.06061	0.9
285.07709	3.7
285.11136	1.1
287.05530	0.7
287.09271	1.9
289.07327	5.4
289.12228	0.6
295.06403	0.6
298.08401	0.9
299.09070	0.8
300.99902	2.9
303.08826	2.3
307.06201	1.7
310.04910	0.9
311.05835	0.6
313.07242	20.5
314.07642	2.9
315.08774	3.6
316.09216	0.6
324.06769	0.7
325.07227	43.3
326.07654	4.3
327.08716	4.1
328.91092	0.6
329.10315	2.4
331.08389	1.1
339.08795	5.4
341.10352	2.1
343.08270	7.8
344.08841	1.0
344.12686	2.3
357.09894	8.1
357.14111	0.6
359.15097	2.0
371.15125	1.8
423.07510	0.7
437.12521	8.8
438.12772	1.1
449.12546	12.1
450.13159	1.2
467.13565	98.2
468.13889	13.2
854.71704	0.6
857.23767	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.381
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98722	16.3
65.88761	2.5
69.03316	1.9
70.25534	2.0
71.01265	14.4
73.02844	2.4
78.95802	4.6
81.03345	2.0
83.01312	2.7
83.04913	4.9
85.02823	3.4
87.00783	4.4
89.02338	15.9
92.27746	1.8
96.95911	7.7
97.02880	2.6
98.92122	1.7
99.00792	2.6
101.02366	11.0
111.00807	2.2
113.02361	7.5
116.92789	7.0
117.92780	2.6
119.03425	6.2
123.00801	2.1
123.04457	3.8
125.02377	15.4
125.89265	1.8
137.02373	3.2
141.30670	1.7
143.03482	2.3
157.38966	2.2
161.04532	4.7
162.94421	2.2
163.11267	2.4
169.01341	7.9
171.10179	4.5
177.05562	1.8
179.05548	7.9
183.13890	5.6
187.77795	2.0
209.11821	99.7
210.12158	7.3
211.13390	100.0
212.13731	5.3
215.33879	1.9
221.06586	2.5
227.12897	30.8
229.53699	2.8
235.08281	7.4
253.09290	2.1
287.07965	2.6
289.07281	4.3
301.00092	2.1
305.08945	2.5
323.09686	2.2
377.99792	2.2
379.12604	14.7
397.13620	60.6
398.13815	4.0
405.36572	2.1
415.14716	10.9
589.25037	9.8
591.26819	12.3
592.27515	2.5
607.26324	6.4
609.27771	20.6
751.08740	2.1
783.38208	2.8
797.58667	2.7
801.39984	9.1
819.40741	2.6
855.22577	3.0
855.38104	40.7
856.38885	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	855.381
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98722	11.2
63.98478	1.5
71.01271	11.8
71.23907	1.5
72.99210	2.5
73.02839	1.8
77.24977	1.6
78.95811	1.8
83.04932	4.0
85.02846	2.8
87.00797	3.8
89.02356	11.7
95.01302	2.5
96.95932	3.7
97.02848	4.0
101.02357	9.8
113.02358	7.4
119.03400	4.0
121.55775	1.3
123.00816	3.1
125.02382	19.5
130.67363	1.4
137.02417	2.2
143.03450	3.6
160.01660	1.8
161.04503	3.2
163.04005	1.8
163.11281	1.9
165.01900	1.6
165.12851	2.5
169.01387	8.1
171.10252	3.5
175.02478	1.4
175.03961	1.9
179.05618	7.1
183.13890	2.9
209.11823	100.0
210.12199	5.3
211.13397	84.1
212.13817	4.5
227.12906	23.4
235.08281	6.1
242.03026	1.7
287.07883	2.0
289.07364	2.6
300.99976	4.2
305.08795	3.5
323.09940	3.1
330.04877	1.7
360.73056	1.4
379.12430	14.4
396.23355	1.6
397.13589	52.4
398.14047	4.7
415.14722	11.1
589.25110	7.7
590.24927	1.5
591.26874	9.9
607.26208	12.1
609.28009	8.1
783.38342	2.8
801.38666	9.1
819.41357	2.3
855.22644	2.4
855.38348	48.1
856.38751	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	854.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00205	0.9
67.01770	2.8
68.99719	0.5
69.03345	3.8
71.01274	1.9
72.99200	1.2
76.61975	0.5
79.01785	2.7
81.03336	1.2
83.01272	1.0
85.02841	0.7
87.00789	1.0
92.47021	0.4
93.03349	0.6
95.01302	15.0
96.95926	0.8
97.02853	3.5
98.19755	0.9
99.00791	0.7
101.30069	0.4
107.01299	10.5
107.04951	0.5
109.02868	1.0
111.00784	3.7
119.04943	1.2
121.02855	0.6
121.34394	0.5
123.00801	37.3
123.04390	0.5
124.01659	3.8
125.02367	93.3
126.02734	2.5
127.00327	1.1
131.04968	0.8
133.02930	0.9
133.61578	0.5
135.04443	0.7
136.98729	1.8
137.02359	1.4
137.94258	0.4
139.00296	7.4
139.34154	0.4
140.01111	6.2
141.01842	3.0
145.02911	1.4
147.04419	1.6
149.02382	1.3
151.00296	3.1
151.03883	0.8
153.01900	0.9
154.99742	0.5
159.04485	0.9
161.02348	2.1
161.06076	0.7
162.03134	0.6
163.03995	1.2
164.01067	0.6
165.01825	0.8
166.99818	13.6
167.03523	0.7
168.00601	10.5
169.01375	100.0
170.01726	3.6
173.02408	0.7
174.03163	0.5
175.03925	2.8
177.01903	1.8
177.05527	0.8
179.03461	1.3
181.01390	1.0
187.03960	1.6
189.01886	0.9
189.05591	0.6
190.02672	1.1
191.03471	1.6
193.01433	2.2
200.48256	0.5
201.22227	0.4
203.03450	1.4
205.01416	1.4
205.05066	0.7
207.03004	1.3
211.02379	2.7
215.03581	1.2
219.02972	1.2
221.04572	0.7
229.24812	0.5
231.02988	1.4
233.04565	1.5
235.02356	0.6
237.04077	1.1
242.17523	0.5
247.02406	0.6
249.04082	2.0
251.05582	0.5
259.02634	1.2
261.04099	0.7
263.05652	0.5
273.00363	0.5
275.02039	1.0
277.03613	1.3
279.05374	0.8
287.05978	0.5
289.07135	0.8
295.04633	2.4
296.30396	0.5
300.99988	2.7
313.05707	4.1
362.08878	1.2
364.10513	1.4
380.09903	4.9
398.11014	3.2
465.06964	4.1
516.11432	1.0
532.11188	2.3
550.12177	3.3
551.12659	0.5
684.12146	4.2
702.13208	18.3
703.13483	2.1
854.14374	76.7
855.14642	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	852.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00210	0.8
67.01778	1.9
69.03335	2.6
71.01287	1.2
71.36963	0.6
72.73922	0.3
72.99230	0.8
77.22403	0.3
79.01792	1.9
81.03342	0.6
82.02883	1.1
83.01279	0.8
85.02847	0.5
85.42673	0.4
87.00781	0.6
95.01286	11.4
95.01903	0.6
97.02861	2.5
99.00777	0.4
107.01292	9.2
109.02859	0.8
110.00004	0.6
111.00788	4.0
113.02357	0.7
118.02922	0.5
119.04918	0.5
119.91218	0.3
121.02872	0.4
123.00800	34.7
124.01648	4.2
125.02367	76.1
126.02717	2.3
127.00295	1.4
131.04955	0.5
133.02934	0.3
135.04443	0.7
136.98756	1.8
137.02379	1.1
138.03102	0.6
139.00305	6.3
140.01099	6.5
141.01883	3.0
143.03511	0.3
143.04874	0.5
145.02869	0.8
147.04463	1.0
149.02357	0.5
151.00328	2.9
151.03922	0.9
153.01820	0.4
154.99826	0.6
159.03040	0.6
159.04456	1.1
160.03969	0.5
161.02402	1.4
162.03214	0.5
163.03995	1.5
165.01843	0.7
166.99812	11.2
167.03412	0.5
168.00603	12.6
169.01376	100.0
170.01672	3.7
175.03957	1.8
177.01921	1.7
177.05585	0.9
178.02744	0.5
179.03453	1.3
181.01398	1.5
186.44124	0.3
187.03955	1.2
188.03470	0.6
189.01883	0.7
189.05612	0.5
190.02736	1.0
190.05016	1.7
191.03445	1.2
193.01425	1.3
193.04965	0.4
203.03485	1.6
204.04129	0.3
205.01428	1.2
205.05042	1.3
206.02138	0.7
207.02997	1.1
210.01604	0.6
211.02437	3.7
215.03456	0.7
217.01476	0.4
219.02945	1.2
221.00911	0.5
221.04582	0.8
223.02524	0.5
231.03000	1.0
233.04512	0.9
234.04022	2.1
235.02538	0.8
237.04120	1.0
247.02664	0.5
248.03268	0.4
249.04022	1.8
267.05255	0.5
270.03851	0.4
275.02106	0.9
276.05173	0.5
277.03552	0.9
290.23495	0.3
294.03891	0.6
295.04724	2.2
299.28595	0.3
300.99982	1.5
311.04187	0.5
312.04953	0.5
313.05676	2.1
319.59833	0.4
325.53619	0.4
329.05176	0.4
336.07248	0.4
360.07300	0.9
362.08994	1.3
378.08423	4.8
379.08835	0.4
396.09497	3.4
397.09634	0.5
414.19250	0.4
447.05911	0.5
464.06116	1.0
465.06802	0.9
500.31107	0.3
514.09967	1.0
530.09625	2.7
548.10553	4.1
549.11194	0.5
682.10577	5.9
683.11127	1.2
700.11676	26.7
701.11884	4.0
785.08215	0.5
852.12817	62.9
853.13177	13.3
868.29749	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	20.5
61.98721	0.8
68.99699	0.5
69.03350	1.7
69.33932	2.6
69.34356	1.2
71.01270	72.0
71.04894	0.6
72.01617	1.0
72.99198	1.9
73.02831	6.0
75.00748	0.6
77.71111	0.3
80.02550	2.0
80.84511	0.3
81.03350	3.3
82.13001	0.3
83.01266	2.1
83.04919	7.2
83.40913	0.4
84.02060	0.7
85.02844	6.1
87.00773	5.4
88.95460	0.3
89.02337	16.6
93.03370	1.2
95.01278	1.8
95.04928	2.6
97.02863	4.7
97.06508	1.1
99.00774	2.1
99.04426	1.1
101.02344	14.0
109.02843	1.1
109.06509	6.2
110.03644	0.5
111.00787	0.7
111.04414	0.8
111.08076	0.6
113.02354	8.6
119.03423	4.2
121.02925	0.5
121.06555	0.8
123.00774	0.4
123.04434	0.6
123.08122	0.7
125.02365	7.5
125.06008	0.9
125.09662	3.0
127.11211	2.0
131.03407	0.8
133.04950	0.5
135.04361	0.5
135.08081	1.7
137.09636	0.9
139.03938	0.4
139.07562	1.1
139.11192	0.6
141.01854	1.2
143.03409	2.5
145.10196	0.5
149.02428	0.5
149.09756	0.5
151.03931	0.6
151.11220	0.8
153.09065	0.5
155.10728	1.5
161.04515	4.2
161.09654	1.0
163.11234	9.9
164.11552	0.6
165.09132	0.7
165.12762	2.6
167.03455	0.5
167.10721	0.8
169.01451	0.7
171.10223	31.5
172.10576	1.2
179.05579	4.7
179.10664	0.9
181.12302	3.4
183.10159	0.7
185.04523	0.4
185.11800	2.4
187.09709	0.4
189.09157	0.9
191.10741	1.5
197.11830	1.3
199.09779	0.6
199.13417	1.0
201.11305	23.5
202.11610	0.8
203.05609	0.5
207.10257	18.3
208.10609	1.0
209.11818	100.0
210.12161	6.5
211.13283	0.6
213.11520	0.4
215.12898	2.4
217.07170	0.7
221.06677	2.4
223.13597	0.4
225.11328	32.8
226.09645	0.4
226.11649	2.1
227.12889	13.8
228.13200	0.7
235.08218	5.6
243.12372	3.6
251.13011	1.3
253.09340	1.1
259.08398	0.6
263.07770	0.8
263.12811	0.7
287.07864	1.1
300.99902	0.6
305.08908	1.5
323.09949	0.9
367.41907	0.4
379.12601	3.4
397.13577	30.9
398.13901	2.9
398.50308	0.4
399.22018	0.8
415.14685	8.7
416.15036	0.7
417.22937	1.6
435.23792	0.6
439.14795	1.8
457.15778	0.9
551.23370	0.5
566.99652	0.5
567.23663	0.4
569.24609	0.5
589.25055	0.7
605.24615	2.8
606.25757	0.5
607.25983	1.8
623.25720	4.4
624.26135	0.8
641.25787	0.5
649.26965	0.5
797.36267	1.5
798.36902	0.5
815.37262	4.2
816.37506	1.0
833.38397	5.3
834.39099	2.2
851.39368	4.6
852.40057	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01790	0.6
69.03306	0.3
69.89796	0.2
70.97045	0.6
71.01237	0.3
73.48148	0.2
79.01806	0.3
82.02893	0.3
92.12640	0.2
93.03323	0.2
95.01286	1.9
97.02841	0.7
107.01285	2.3
109.02850	0.3
111.00784	0.8
111.08933	0.2
117.03382	0.7
119.04932	0.5
121.02951	0.4
123.00800	4.7
124.01573	1.0
125.02369	14.9
126.02703	0.5
129.03372	0.6
131.04933	0.6
133.02876	0.9
135.04398	0.3
136.98701	0.4
139.00282	1.0
140.01106	1.0
141.01830	0.4
145.02907	2.4
147.04460	1.7
149.02411	0.4
151.00273	1.2
157.02818	1.1
159.04460	1.7
161.02406	1.4
163.03964	1.2
164.01103	0.6
165.01823	0.7
166.99821	0.9
168.00633	1.3
169.01385	13.8
170.01709	0.3
173.02396	2.7
174.03142	0.3
175.03958	3.2
177.01956	1.2
179.03477	0.3
185.02422	3.8
187.03976	0.5
189.01878	2.0
190.02721	0.8
191.03473	1.6
193.01378	0.3
193.04799	0.2
201.01912	4.7
202.02432	0.6
203.03482	5.7
205.01439	0.7
205.04942	0.3
211.02538	0.3
213.01997	1.7
214.02687	0.6
216.00641	0.3
217.01462	1.5
218.02130	0.4
219.02922	1.6
221.04556	0.6
226.99861	0.5
228.00612	0.4
229.01440	11.1
230.01944	0.9
231.03001	6.2
232.03267	0.7
244.00160	0.5
245.00961	3.8
246.01566	0.4
247.02472	1.4
249.04089	12.1
250.04465	0.4
254.99474	0.7
257.00970	9.4
258.01706	3.5
273.00464	2.2
274.01233	1.9
275.02036	43.0
276.02435	2.5
283.99661	3.0
289.07147	0.5
293.03030	0.3
299.99176	4.0
300.02621	0.3
300.99954	100.0
302.00320	6.1
313.05765	0.4
378.08472	1.0
396.09576	0.6
465.06787	0.5
484.08923	0.6
530.09424	1.9
548.10529	11.2
549.10645	1.0
654.11249	0.9
680.08771	0.4
698.09894	1.0
850.11243	36.7
850.95270	0.4
851.11438	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	850.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	0.1
65.00200	0.1
67.01779	0.2
69.03349	0.2
69.34769	0.1
69.35181	0.6
70.78017	0.1
71.01282	0.3
72.99187	0.1
74.64188	0.1
79.01797	0.2
81.03346	0.1
82.02881	0.8
83.01268	0.2
85.02847	0.2
87.00787	0.1
93.03367	0.1
95.01302	0.4
97.02849	0.2
99.00818	0.1
101.02383	0.1
101.03903	0.1
107.01293	1.1
109.02859	0.3
110.00005	0.1
111.00793	0.5
111.38736	0.1
113.02323	0.1
117.03396	0.3
119.04936	0.1
121.02865	0.1
123.00812	2.0
123.04423	0.3
124.01610	0.6
125.02370	8.8
126.02688	0.4
127.00314	0.2
129.03375	0.3
133.02870	0.3
135.04478	0.1
136.98756	0.2
138.03120	0.1
139.00310	0.9
139.03938	0.1
140.01100	0.9
141.01848	0.2
145.02893	1.0
147.04449	0.3
149.02332	0.1
150.03114	0.1
151.00333	1.0
151.03995	0.2
153.01836	0.1
154.02307	0.1
157.02924	0.7
159.03085	0.1
161.02417	0.7
161.06198	0.1
162.03041	0.1
163.00256	0.1
163.03981	0.6
164.01099	0.6
164.44707	0.1
165.01816	0.3
166.02693	0.1
166.99843	0.4
167.03499	0.2
168.00598	1.6
169.01381	10.0
170.01717	0.3
173.02373	1.2
175.03996	0.3
176.01022	0.1
177.01900	0.3
177.03926	0.2
179.03471	0.2
181.01335	0.1
185.02412	2.6
186.02655	0.1
187.00264	0.1
187.04135	0.1
189.01851	0.5
190.05067	0.3
190.99820	0.4
191.03450	0.3
193.01430	0.3
196.67667	0.1
199.00345	0.2
200.01141	0.2
201.01923	2.0
202.02229	0.1
203.07135	0.2
205.01472	0.1
206.02229	0.3
208.46852	0.1
210.01665	0.2
211.00482	0.1
211.02466	1.4
212.01038	0.1
213.01971	0.2
216.00668	0.1
217.01442	0.5
221.04646	0.4
223.02495	0.1
226.99890	0.5
228.00600	0.3
229.01430	3.6
230.01772	0.2
234.04123	0.4
240.00603	0.2
241.03493	0.2
242.99324	0.1
244.00220	0.2
245.00948	1.5
246.01134	0.1
254.99434	0.4
256.00061	0.1
257.00952	1.6
270.03925	0.4
271.04596	0.4
271.06775	0.1
273.00507	0.4
276.05145	0.4
282.98886	0.2
283.99692	3.2
285.00052	0.2
287.05634	0.4
289.07248	0.8
290.07504	0.3
295.04617	0.3
297.06265	0.1
299.99200	2.8
300.02679	0.1
300.99951	100.0
302.00287	5.9
302.05362	0.1
311.04175	0.1
312.04977	0.2
313.05759	1.6
314.06134	0.1
329.05261	0.2
336.07455	0.3
363.08551	0.1
378.08463	0.7
396.09390	1.0
397.09631	0.1
407.07632	0.4
408.08084	0.2
433.09387	0.1
453.93854	0.1
465.06876	0.5
481.06448	0.2
482.07037	0.2
548.10577	35.5
549.10883	4.2
559.12231	0.2
742.59192	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	849.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03900	0.4
69.03365	1.0
72.37944	0.4
81.03362	2.1
83.01285	4.5
93.03366	3.3
95.01295	1.7
95.04957	0.9
97.02851	2.8
101.55445	0.4
103.88631	0.4
105.03384	0.8
106.83132	0.5
107.04929	0.9
108.02093	1.2
109.02868	13.3
111.00836	0.5
113.00223	0.4
115.89349	0.5
117.03378	1.1
119.04944	1.3
120.02106	1.1
121.02889	3.0
122.03662	1.0
123.00826	1.1
123.04442	10.9
124.01609	0.5
125.02373	100.0
126.02750	3.1
130.04294	0.5
131.04991	1.1
133.02882	6.2
135.04485	2.3
137.02380	19.3
138.03056	0.6
139.03937	2.3
143.05013	1.3
145.02937	2.5
146.03612	0.5
147.04456	1.8
149.02383	5.5
149.05984	0.7
150.03123	1.0
151.03949	8.9
157.02788	0.6
157.06514	0.5
158.03484	0.6
159.04463	2.8
160.05135	0.8
161.02400	22.2
161.06013	3.7
162.03000	2.1
163.00319	5.0
163.03954	4.0
164.01102	27.3
165.01889	9.1
166.02388	0.5
167.03441	1.2
169.01413	1.3
171.04419	0.6
173.02440	2.6
173.06065	1.0
174.03044	1.3
175.03981	8.8
175.07639	1.2
176.01086	2.0
176.04367	1.0
176.25471	0.4
177.01892	9.8
177.05566	0.9
178.02438	1.1
179.03505	2.6
183.04373	0.7
185.02451	1.1
185.06042	2.4
187.03987	5.5
188.04749	1.9
189.01927	2.3
189.05612	0.9
190.02603	1.5
191.03427	2.0
199.04010	1.8
199.07579	0.5
201.01944	2.9
201.05562	2.0
202.02324	0.9
202.06270	0.8
202.99931	0.9
203.03505	4.2
203.07147	7.1
204.00594	0.5
204.03813	0.7
205.01387	2.3
205.05052	4.8
211.04005	1.4
213.01924	1.2
213.05583	1.4
214.02687	3.7
214.99799	0.4
215.03432	1.7
216.00610	0.5
217.01428	1.8
217.05067	2.9
218.02016	0.6
219.03032	2.2
221.08261	0.9
225.05644	0.8
227.03513	1.5
227.07057	1.1
228.04282	1.0
229.01514	3.8
229.05060	5.2
230.01917	1.6
231.02982	2.0
232.03690	0.7
241.05011	0.8
243.03079	5.0
243.06682	1.7
244.03568	0.6
245.00905	1.5
245.04565	6.6
245.08211	6.2
246.01396	0.9
246.04935	0.7
247.02588	0.7
253.05150	0.8
255.03032	4.9
255.06772	0.6
256.03818	4.5
257.01059	2.8
257.04544	1.9
258.01556	2.7
261.04160	1.5
269.04581	2.4
271.06223	13.6
272.06610	1.7
273.00537	1.3
273.04156	1.8
273.07785	1.4
274.00995	1.7
275.02054	14.4
276.02338	7.0
277.02670	1.1
281.04684	1.8
282.01797	3.0
282.04861	0.5
283.02484	1.5
283.06113	0.6
283.99738	0.8
285.04114	1.8
286.98569	0.6
287.05676	17.6
288.06018	1.6
289.07251	35.4
290.07574	3.1
297.07800	0.6
298.98361	0.8
299.05698	1.6
299.99225	1.6
300.02844	2.4
300.99973	23.5
302.00311	12.5
303.00568	1.7
304.00610	0.5
309.04126	0.6
311.05682	0.5
315.08865	0.7
321.07733	1.0
329.06464	0.8
331.08450	0.8
339.08966	1.0
341.06769	1.1
345.07776	0.6
349.92551	0.5
363.08911	1.7
365.06564	0.7
381.10049	0.9
389.06641	5.9
389.11224	0.5
397.09476	3.8
407.07806	28.2
408.08145	3.8
409.09274	0.5
413.08899	1.1
423.07101	0.6
425.08984	6.7
426.09369	0.7
433.09396	10.1
434.09982	1.1
435.11185	2.4
436.07797	1.1
449.09418	0.6
451.10474	3.4
463.05106	0.7
503.10132	0.6
517.10858	0.7
543.12390	0.6
546.08917	1.5
547.09424	2.3
559.12561	21.4
560.12952	3.0
561.14508	4.6
577.13586	4.2
578.13452	0.7
679.14905	4.9
680.15222	1.3
695.13257	0.6
697.15851	2.0
723.17657	1.7
849.07916	3.2
849.24023	0.8
876.58337	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03857	0.5
67.01754	1.0
68.99710	0.5
69.03332	1.0
71.59706	1.0
81.03336	2.2
83.01271	5.9
85.02869	0.4
93.03367	4.2
95.01287	1.2
95.04916	2.9
96.95944	0.5
97.02853	4.8
97.56277	0.4
105.03399	0.6
107.01316	0.7
107.04929	1.8
108.02065	1.7
109.02861	16.3
110.03187	0.8
111.00790	0.8
117.03408	0.8
119.04935	0.9
120.02091	1.9
121.02870	3.7
122.03666	0.9
123.00809	1.1
123.04439	13.7
124.01577	1.4
124.04774	0.9
125.02367	100.0
126.02721	4.1
130.04132	0.5
131.04948	1.1
133.02887	6.5
133.06540	0.6
135.00793	0.5
135.04410	2.6
136.01604	0.6
137.02377	23.7
138.02722	1.3
139.03941	3.4
143.04918	1.1
145.02890	2.0
146.03676	1.2
147.04459	1.6
149.02382	6.9
149.05968	0.6
150.03110	1.5
151.03941	12.7
152.04305	0.4
156.19276	0.4
157.06583	1.4
158.03694	0.9
159.04460	3.1
160.05124	1.2
161.02397	23.3
161.06013	4.8
162.03122	2.7
162.06282	0.5
163.00330	8.5
163.03963	4.2
164.01099	42.9
165.01881	11.1
165.05347	0.4
166.02411	0.9
167.03455	2.0
167.04788	0.5
169.01384	5.9
171.04417	1.1
173.02390	3.4
173.06087	1.1
174.03192	1.9
175.03964	12.1
175.07603	1.4
176.01038	2.8
176.04373	0.5
177.01886	12.1
177.05496	0.7
178.02577	1.0
179.03455	4.4
183.04495	1.0
185.06067	2.5
185.25446	0.4
187.03984	7.0
187.07578	0.7
188.04662	2.5
189.01891	1.7
189.05499	1.8
190.02655	2.7
191.03409	1.6
191.05476	0.5
193.01251	0.4
193.05064	0.4
199.03949	2.4
199.07584	0.9
200.04675	0.6
201.01915	1.7
201.05556	2.2
202.06320	1.5
202.99773	0.8
203.03462	2.4
203.07127	8.7
204.04190	0.4
204.07411	0.8
205.01454	3.6
205.05048	6.4
211.04010	1.9
212.04774	0.9
213.01950	0.7
213.05521	1.8
214.02731	5.4
215.03404	2.9
216.04172	0.4
217.01472	2.7
217.05049	4.4
217.08675	0.6
219.02979	2.3
221.08179	1.8
225.05592	0.8
226.05928	0.4
227.03545	2.3
227.07126	2.4
228.04247	1.7
229.01404	1.2
229.05072	6.2
229.08708	0.6
230.02171	0.8
230.05687	1.0
231.03043	1.3
231.06502	0.6
232.03618	0.8
241.05075	1.0
242.02437	0.8
243.02985	8.5
243.05562	0.6
243.06549	0.9
244.03587	1.0
245.01047	0.8
245.04605	4.3
245.08237	9.4
246.04927	0.6
246.08594	1.0
247.06186	0.6
253.05046	1.4
255.03020	4.3
255.06676	0.8
256.03802	6.5
257.04599	4.1
261.04028	3.7
263.03510	1.2
265.05145	0.4
267.02985	0.5
269.04694	3.0
270.05054	0.7
271.06177	21.0
272.06512	1.5
273.04086	2.3
273.07706	4.2
275.02023	1.0
281.04553	1.9
282.01788	2.8
282.04590	0.5
283.02469	1.5
283.05896	1.0
285.04135	3.7
285.07004	0.7
287.02441	0.9
287.05673	14.8
288.02939	0.8
288.06033	1.8
289.07239	64.1
290.07587	6.5
293.04669	0.8
297.03937	0.5
297.07788	0.6
299.05759	1.1
300.02856	4.5
300.99942	3.6
301.03253	0.7
302.00241	0.8
311.05579	1.3
312.06320	0.7
313.07129	0.6
315.08752	0.6
321.07730	1.4
329.06696	1.4
331.08145	0.6
337.07434	0.5
339.08762	0.7
341.06564	0.7
347.05746	0.5
363.08853	3.4
364.09177	0.7
365.06738	0.6
381.10172	0.6
389.06656	5.1
390.07159	0.7
391.08234	1.6
397.09280	1.1
407.07736	34.8
408.08221	4.5
409.09451	2.0
413.08875	4.0
425.08844	2.9
426.09207	0.6
433.09378	9.0
433.15240	0.6
434.09558	1.0
435.11093	4.1
436.07498	2.5
437.08771	1.2
441.08276	2.6
451.10437	1.7
452.07407	3.3
463.09293	0.6
490.18533	0.5
515.14111	0.4
525.08539	0.6
541.11584	1.2
543.13959	2.0
559.12598	26.7
560.12982	5.4
561.14197	7.7
562.14209	1.9
577.13580	1.9
578.15558	0.5
602.11694	0.5
679.14764	5.9
680.14612	1.0
695.13843	0.6
697.15485	1.2
698.15747	0.8
723.17401	2.0
849.20917	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	849.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
64.99541	0.3
65.00216	0.4
65.03834	0.6
67.01775	0.4
69.03342	0.9
70.37819	1.3
81.03351	2.3
83.01274	5.1
89.03858	0.4
91.01775	0.4
91.05404	0.3
93.03354	3.4
93.24645	0.3
95.01292	1.4
95.04927	2.5
97.02850	4.9
97.23262	0.3
101.58517	0.3
105.03368	0.9
107.04944	1.5
108.02082	1.4
109.02863	18.3
110.03173	0.5
117.03401	1.1
119.04934	0.7
120.02090	1.9
121.02873	4.1
122.03639	1.0
123.00819	0.7
123.03533	0.7
123.04436	13.5
124.01588	1.0
124.04738	0.4
125.02366	100.0
126.02705	2.9
129.00169	0.3
131.05000	0.4
132.02042	0.3
133.01968	0.6
133.02888	6.1
135.00774	0.4
135.04451	2.1
136.01566	0.3
137.02373	27.9
138.02814	0.8
139.03955	3.6
143.04974	0.9
145.02939	1.5
146.03642	1.3
147.04427	1.2
148.01685	0.4
149.02383	6.1
150.03181	0.6
151.03947	11.2
152.04208	0.6
157.06528	0.6
158.03665	1.1
159.04454	3.5
160.01558	0.4
160.05241	1.2
161.02388	23.3
161.06007	4.4
162.03069	2.7
163.00314	6.4
163.03941	4.2
164.01100	51.9
165.01888	14.2
166.02473	0.7
167.03415	2.0
169.01422	0.9
171.04469	0.8
172.05318	0.4
173.02425	2.2
173.06046	1.0
174.03160	1.2
175.03973	9.2
175.07658	1.3
176.01100	2.6
176.04309	0.7
177.01894	11.0
177.05522	1.1
178.02454	1.0
179.03456	5.1
183.04483	0.5
185.02336	0.3
185.06064	2.2
186.06676	0.5
187.03969	6.7
187.07573	0.8
188.04730	3.4
189.01920	1.8
189.05544	1.9
190.02650	1.1
191.03482	1.3
193.05069	0.5
199.03952	2.4
199.07634	1.2
200.04662	0.4
201.01888	1.5
201.05507	2.3
202.02650	0.4
202.06325	1.5
202.99730	0.7
203.03554	1.8
203.07109	12.3
204.00583	0.6
204.04285	0.6
204.07439	0.5
205.01419	3.9
205.05037	7.2
206.02156	0.4
209.06036	0.4
211.03979	1.0
212.04747	1.2
213.05550	1.4
214.02719	3.2
215.03485	2.0
215.07277	0.4
216.00613	0.7
217.01468	1.3
217.05054	3.7
217.08653	0.4
219.02951	1.9
219.06613	0.4
221.08197	1.5
225.05527	0.8
227.03506	1.7
227.07103	3.1
228.04211	1.7
229.05086	6.9
229.08682	1.1
230.05792	0.8
231.02986	1.3
231.06602	0.5
237.05518	0.5
239.03566	0.7
241.05014	0.9
242.02217	0.9
243.03011	6.7
243.06647	1.7
244.03592	0.8
245.04529	3.7
245.08220	11.6
246.08530	1.0
247.06213	1.0
253.05077	1.6
254.05737	0.6
255.03024	5.8
255.06744	0.5
256.03748	4.2
257.04568	2.7
259.06131	0.5
261.03979	2.4
263.03549	0.5
267.06705	0.6
269.04633	3.3
270.05374	0.7
271.06177	20.3
272.06482	2.1
273.04141	2.2
273.07727	4.7
274.08051	0.4
275.02106	0.7
281.04700	1.9
282.01727	2.3
283.02487	1.4
283.06122	1.1
285.04132	3.3
287.05692	11.5
288.02933	0.5
288.05997	0.9
289.07245	52.2
290.07556	4.8
295.06030	0.5
297.04135	0.6
297.07806	0.6
299.05771	0.8
300.02902	2.5
300.99951	1.3
301.03262	0.5
302.00543	0.4
311.05530	0.6
312.06161	0.6
313.07019	0.6
319.09616	0.4
321.07855	1.4
323.05701	0.6
326.04919	0.4
327.04929	0.5
328.05789	0.5
329.06717	1.8
331.08218	0.6
339.08713	0.8
341.06686	0.9
345.07715	0.5
363.08795	2.1
365.06674	0.6
381.09851	0.9
389.06671	3.8
390.07199	0.6
391.08316	0.9
397.09390	0.6
407.07788	26.0
408.08090	3.2
409.09399	1.1
413.08820	2.7
419.07794	0.4
425.08893	2.7
433.09375	8.8
434.09665	0.9
435.06476	0.4
435.11075	4.6
436.08081	1.4
437.08963	0.5
449.08908	0.6
451.10614	0.7
452.07654	0.6
477.11920	0.5
517.11755	0.6
527.10236	0.4
541.11475	0.5
543.13647	1.9
559.12543	19.3
560.12897	3.3
561.14203	8.7
562.15070	2.1
571.12653	0.6
577.13855	0.6
587.12164	0.6
679.14832	3.9
680.14691	0.7
697.15796	1.5
698.16162	0.5
723.17450	1.4
724.18005	0.4
849.21234	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	849.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00169	0.3
65.03852	0.5
67.01772	0.3
69.03367	0.3
71.39532	0.4
81.03344	1.6
83.01275	3.8
84.06340	0.2
87.67335	0.2
89.03873	0.6
93.03365	2.4
95.01299	0.9
95.04945	1.4
96.53270	0.2
97.02858	2.7
105.03387	0.5
107.04924	1.0
108.02099	0.9
109.02859	12.3
110.03213	0.4
117.03372	0.9
118.64370	0.2
119.04951	0.5
120.02079	0.8
121.02882	2.4
122.03666	0.8
123.00815	0.5
123.03532	0.4
123.04437	8.3
124.01588	0.5
124.93948	0.2
125.02366	100.0
126.02699	3.2
131.04973	0.7
132.02083	0.3
133.02875	4.3
135.00800	0.3
135.04445	2.1
137.02371	15.9
138.03090	0.5
139.03941	1.9
143.04993	0.6
145.02885	0.8
146.03662	0.8
147.04437	1.2
149.02382	3.8
149.05972	0.4
150.03163	0.9
151.00244	0.3
151.03946	7.8
152.04311	0.4
155.04865	0.2
157.02948	0.3
157.06540	0.6
159.04457	3.2
160.05226	0.5
161.02388	23.3
161.06012	2.9
162.03171	2.4
163.00330	2.4
163.03972	4.0
164.01100	13.4
165.01895	5.7
166.02194	0.2
167.03458	0.9
171.04434	0.5
173.02428	0.6
173.06044	0.9
174.03166	0.8
175.03964	8.0
175.07603	0.8
176.01129	0.7
176.04355	0.6
177.01895	6.8
177.05528	1.2
178.02530	0.5
179.03441	2.2
183.04512	0.7
185.06020	1.3
186.03206	0.3
187.03960	5.0
188.04720	1.9
189.01936	2.1
189.05531	1.0
190.02663	0.7
191.03413	0.8
193.05026	0.4
196.05318	0.3
197.06061	0.4
199.04044	1.7
199.07701	0.7
200.04588	0.3
201.01901	0.8
201.05557	1.6
202.06305	0.5
203.03499	2.4
203.07100	5.2
204.00645	0.3
205.01462	1.2
205.05038	3.3
211.03993	1.0
212.04782	0.7
213.02112	0.3
213.05591	1.0
214.02747	0.8
215.03453	1.2
215.07214	0.3
216.04303	0.3
217.01424	0.5
217.05055	3.0
219.03093	1.3
219.06613	0.8
221.08228	0.9
225.05588	1.0
227.03494	1.4
227.07185	0.9
228.04282	0.9
229.05025	2.5
231.02919	1.1
231.06613	0.3
232.03600	0.3
239.07166	0.3
241.05133	0.6
242.02196	0.4
243.02992	3.6
243.06619	1.3
244.03618	0.6
245.04596	6.5
245.08240	5.9
246.05052	0.5
246.08444	0.3
247.06209	0.7
253.05112	0.9
255.03033	4.8
256.03757	2.7
257.04535	1.3
261.04028	0.7
265.05072	0.4
267.03201	0.3
268.03967	0.3
269.04617	1.8
269.08337	0.3
271.02682	0.7
271.06146	5.0
272.06598	0.5
273.04147	1.7
273.07401	0.5
281.04614	1.6
282.01953	0.3
282.05148	0.4
283.02615	0.8
283.06012	0.4
285.04135	1.8
285.07019	0.3
287.05676	21.6
288.03085	0.4
288.05997	2.1
289.07233	23.1
290.07559	1.5
295.02570	0.3
295.06265	0.3
297.04306	0.5
297.07825	0.7
299.02136	1.5
299.05750	2.8
299.08752	0.3
300.02780	0.4
300.05975	0.4
300.99911	0.6
311.05582	0.3
315.08743	0.9
327.09238	0.4
329.06686	0.7
331.08231	0.3
334.00974	0.3
339.08783	1.8
341.06680	1.4
379.08246	0.7
381.10037	1.1
383.07855	0.4
389.06622	0.5
391.08524	0.4
397.09344	6.6
398.09747	0.7
405.06366	0.8
407.07791	18.8
408.08185	2.6
409.09546	0.5
413.09262	0.5
423.07025	0.4
425.08905	12.3
426.09277	1.5
433.09372	2.5
434.09674	0.4
435.10995	0.4
449.08380	0.5
451.10449	6.8
452.10843	0.7
463.08792	0.5
467.10019	0.3
493.11292	0.4
517.11444	0.9
527.10278	0.5
545.11255	0.7
553.11554	0.5
559.12567	8.9
559.21350	0.4
560.12787	1.8
561.14709	0.6
571.12750	1.0
577.13599	11.3
578.14111	2.4
679.14856	1.2
695.13910	0.4
697.15643	1.8
698.16602	0.6
723.17773	0.8
849.21082	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
60.02038	0.5
60.76860	0.4
69.03333	0.6
69.31862	1.8
69.32291	3.0
81.03353	1.3
83.01283	3.2
93.03358	1.3
95.01288	0.5
95.04926	1.7
97.02861	2.6
103.74737	0.5
107.04914	1.1
108.02092	0.8
109.02863	10.9
117.03371	0.8
121.02860	2.1
123.04439	8.9
124.01633	0.8
125.02367	100.0
126.02720	3.3
131.05043	0.6
133.02884	4.7
135.00850	0.5
135.04434	1.9
137.02377	16.1
138.03058	0.5
139.03964	2.0
140.04320	0.5
143.04964	0.8
145.02898	0.9
146.03680	0.8
147.04449	0.6
149.02385	3.7
150.03091	0.6
151.03946	7.3
157.06544	0.6
159.04474	2.0
161.02399	23.3
161.05992	2.6
162.02985	1.9
163.00308	3.3
163.03976	3.9
164.01100	16.8
165.01886	7.2
167.03464	1.1
169.01350	1.5
173.02524	0.8
173.05972	0.9
174.03183	1.0
175.03949	7.3
175.07634	0.8
176.01186	0.8
177.01889	7.6
177.05492	0.9
179.03470	2.6
183.04503	0.6
184.05502	0.5
185.06044	1.7
187.03992	5.3
188.04626	1.6
189.01924	1.7
189.05545	1.0
190.02695	0.7
191.03412	0.9
193.05005	0.6
199.03998	1.5
199.07755	0.6
201.01935	0.5
201.05548	1.4
202.06308	0.8
203.03479	1.8
203.07124	5.8
205.01341	1.8
205.05042	3.5
211.04039	1.0
212.04796	0.5
213.05629	1.1
214.02733	1.6
215.03551	1.7
215.07089	0.7
217.05057	3.1
219.03004	1.4
219.06621	0.7
221.08208	1.0
225.05635	0.6
227.03461	1.3
227.07137	1.7
228.04352	1.0
229.01482	0.5
229.05080	4.2
231.03082	0.7
231.06615	0.6
243.03026	5.0
243.06728	1.2
244.03558	0.7
245.04572	7.5
245.08232	6.3
247.02312	0.5
247.06386	0.5
253.05122	1.6
255.03032	5.1
256.03748	2.8
257.04626	1.8
261.03992	1.0
269.04724	1.8
271.06204	8.0
272.06512	0.9
273.04071	1.7
273.07635	0.9
281.04648	1.7
282.01859	1.1
283.02429	0.8
285.04156	1.6
287.02377	0.9
287.05673	23.9
288.06052	1.5
289.07260	30.1
290.07553	2.7
297.07733	0.9
299.05734	1.6
300.02740	0.9
300.99982	0.9
321.07693	0.6
329.06848	0.6
339.08865	1.6
341.06744	2.2
363.08920	0.7
381.09979	1.3
389.06735	1.9
391.08371	0.8
397.09305	6.7
398.09720	0.7
405.06348	0.7
407.07800	21.9
408.08017	2.1
409.09711	0.6
413.08777	1.0
425.08838	10.9
426.09201	0.7
433.09421	4.1
435.10751	0.9
436.08170	0.6
449.08871	0.6
451.10461	5.8
452.11127	0.5
465.97690	0.5
517.11420	0.8
541.11676	0.6
543.09729	0.6
559.12579	15.3
559.21454	0.7
560.12848	2.5
561.14166	1.9
571.12756	0.9
577.13580	11.1
578.14185	2.4
622.91754	0.5
635.08197	0.5
679.14825	2.0
695.14423	0.6
697.15717	2.2
713.15936	0.5
723.16931	1.0
724.18622	0.6
731.28363	0.5
849.20935	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33468	0.9
87.81502	0.1
96.95780	0.1
115.85152	0.1
123.04424	0.1
125.02338	0.4
130.00554	0.2
146.00105	0.2
158.00035	0.2
169.01399	0.2
173.99460	0.1
176.19118	0.1
183.00874	0.1
185.99586	0.3
197.99582	0.3
201.01889	0.1
213.01880	0.1
213.99051	0.1
229.01408	0.2
241.98624	0.3
243.02744	0.1
254.99373	0.8
255.99945	0.1
257.01022	1.1
269.00909	0.4
269.98123	10.5
270.98392	0.7
273.00391	0.2
282.98907	0.2
283.99579	0.3
285.00485	8.9
286.00873	0.7
289.07553	0.1
297.00375	0.3
297.97617	31.0
298.97952	2.3
299.01654	0.2
300.99985	0.3
311.99063	0.2
312.99973	51.2
314.00320	4.0
327.01651	0.6
328.02316	50.8
328.98691	0.1
329.02679	3.7
343.04663	100.0
344.04984	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	846.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00212	0.8
66.15603	0.3
71.01277	0.3
71.59804	0.5
89.03886	0.6
91.01717	0.4
95.01289	1.0
95.93572	0.3
98.63658	0.4
101.03878	0.4
105.03423	0.6
107.01300	0.5
109.02889	0.4
111.00751	0.4
117.02808	0.3
117.03404	3.1
119.04953	1.3
121.02888	0.7
123.00781	1.6
123.04453	0.5
123.15634	0.3
125.02383	3.3
129.03392	1.1
131.01323	0.7
131.04973	0.4
132.02097	0.9
133.02884	3.8
134.88496	0.3
135.04460	0.9
137.02374	0.4
139.00322	0.3
142.21515	0.4
143.01282	0.5
145.02893	8.7
147.00819	0.7
147.04454	2.5
148.01695	0.4
149.02347	0.9
151.00345	0.7
151.03918	0.5
154.69977	0.4
157.02875	1.1
158.03633	0.4
159.00784	0.8
159.04454	1.2
160.01581	1.2
161.02406	8.7
162.02977	0.7
163.00320	1.0
163.03938	3.0
164.01103	0.7
164.98273	0.4
169.01413	1.5
171.00806	1.2
172.01585	1.1
173.02419	9.0
174.03014	1.0
175.00330	0.6
175.03986	2.5
176.01157	0.6
177.01895	1.8
179.03471	1.0
185.02406	3.1
187.00365	3.1
187.03987	0.5
188.01015	0.9
189.01920	10.0
190.02652	2.1
190.99847	0.6
191.03453	3.1
199.00385	1.2
200.01070	1.3
201.01949	8.3
202.02426	0.6
202.99789	0.4
203.03491	3.3
205.01410	0.9
211.04070	0.5
212.60274	0.3
213.01921	0.6
214.02577	0.5
214.99881	3.4
216.00610	2.2
217.01424	14.5
218.02049	1.2
219.02965	1.4
226.99850	1.6
227.03491	0.4
228.00641	1.4
229.01445	10.1
230.01938	1.1
230.99377	0.5
231.03065	1.9
232.00092	0.4
233.00917	0.8
241.05115	0.4
242.99362	5.7
243.03084	0.5
244.00111	1.7
245.00954	24.1
246.01463	2.2
247.02516	2.9
249.04077	1.9
254.99373	0.8
255.03023	0.4
257.00967	4.9
258.01678	1.4
259.99698	1.4
261.00427	4.4
270.98898	15.3
271.99435	2.3
273.00482	40.8
274.01059	4.1
275.02042	15.0
275.05084	0.5
276.02377	1.0
283.99710	2.6
286.98685	0.5
287.99359	0.3
288.99860	2.0
289.07245	0.4
290.00726	0.7
291.01413	1.0
294.04147	0.5
298.98404	25.2
299.99121	9.4
300.99963	100.0
302.00363	6.1
308.39404	0.3
316.99481	5.7
318.00021	0.6
338.03073	0.7
417.04840	0.6
472.08981	0.9
482.07538	0.5
488.08505	1.4
500.08420	3.5
516.07941	8.0
517.08429	0.9
526.06464	1.2
528.08136	0.8
544.07452	9.3
545.07837	0.9
802.07892	0.5
810.06250	0.7
818.08771	1.4
828.06989	0.7
846.08221	4.7
847.07751	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01272	1.0
61.98713	1.5
65.00208	0.7
67.01772	2.5
68.99731	0.8
69.03352	3.0
71.01273	3.5
71.60358	0.7
72.99182	1.1
79.01788	2.2
79.25723	0.4
81.03354	1.6
83.01294	1.6
85.02866	1.3
87.00803	1.3
88.98694	2.5
89.02348	0.5
91.05442	0.5
93.03382	1.6
95.00703	1.0
95.01288	10.1
96.95940	1.0
97.02866	3.2
99.00775	0.8
101.02372	1.4
105.03379	0.8
107.01306	9.7
107.04946	1.0
108.02072	0.6
109.02867	2.9
111.00790	3.9
113.02378	2.0
117.03349	0.6
119.04942	0.7
121.02869	15.1
123.00800	29.8
123.04434	2.1
124.01667	3.5
125.02368	94.5
126.02675	2.6
127.00280	1.1
132.02153	0.5
133.02901	1.1
135.04443	1.4
136.98779	2.5
137.02367	3.8
139.00308	6.8
139.03885	0.5
140.01099	5.2
141.01897	2.8
143.03410	0.6
145.02896	1.6
147.04480	1.1
149.02405	1.8
150.03073	0.5
151.00294	4.3
151.03944	1.4
153.01924	0.8
153.46422	0.5
159.04462	0.6
160.01556	0.6
161.02359	2.4
161.06001	0.7
163.03976	2.0
164.01060	0.9
165.01839	2.7
166.99799	8.4
167.03482	1.4
168.00597	9.8
169.01381	100.0
170.01704	3.0
175.03976	1.5
176.48668	0.5
177.01918	2.1
177.05624	0.7
179.03464	3.2
181.01405	1.2
187.03984	1.3
189.01961	0.6
190.02657	0.6
191.03456	1.5
193.01384	3.0
193.05151	0.8
203.03406	0.8
203.07050	0.6
205.01425	1.0
205.05055	1.4
207.03023	1.2
211.02470	4.7
213.05612	0.9
215.03333	0.5
219.03078	0.6
221.00937	1.0
221.04581	1.2
223.02527	1.3
229.05115	1.0
233.04520	0.8
235.02505	1.0
241.03516	0.6
245.08168	0.7
257.04520	0.7
277.03650	1.6
279.05130	2.0
289.07388	2.3
290.07629	1.1
295.04678	5.6
297.06213	1.4
300.99982	1.6
313.05710	16.9
314.06149	1.0
344.12024	0.6
377.31418	0.5
401.08719	1.1
417.32214	0.5
447.05859	1.9
449.07425	0.7
449.59006	0.5
459.08325	0.4
463.17700	1.5
464.18033	1.8
465.06818	13.6
466.07095	1.6
481.18347	0.6
505.11554	0.6
523.12646	1.2
553.09869	0.8
571.10956	0.7
573.08698	0.8
594.92267	0.5
599.70093	0.5
617.07904	6.5
618.07996	0.8
675.13708	15.2
676.13501	2.1
693.14716	21.0
694.15289	3.1
723.11829	2.3
823.38977	0.6
844.35681	0.8
845.15845	56.0
846.16046	10.6
864.80432	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01281	0.4
61.98737	0.8
65.00231	0.2
69.03358	0.3
71.01289	0.9
71.61824	0.3
72.99220	0.2
83.01297	0.2
84.69622	0.2
85.02864	0.2
87.00792	0.3
95.01305	0.8
96.95922	0.4
101.02339	0.4
104.24422	0.2
105.03437	0.2
107.01283	1.1
109.02877	0.5
111.00784	0.4
113.02335	0.5
117.02699	0.3
117.03374	1.3
119.04955	1.5
121.02959	0.4
123.00819	2.3
123.04446	0.5
124.01643	0.4
125.02376	9.0
125.13406	0.2
126.02718	0.6
129.03458	0.5
133.02882	0.3
137.02405	0.9
139.00310	0.7
140.01111	0.6
144.60817	0.2
145.02892	3.6
147.04445	0.7
149.02428	0.6
150.03195	1.1
151.00314	0.8
151.03998	1.1
152.41216	0.2
157.02922	0.5
159.04402	0.5
161.02423	1.1
161.06067	0.3
163.00334	0.4
163.03972	2.0
164.01105	0.6
165.01845	1.3
165.05533	0.9
166.02188	0.2
166.05887	0.2
166.99846	0.4
168.00581	0.8
169.01379	5.6
170.01724	0.6
173.02426	2.0
175.02576	0.4
175.03958	1.1
177.01976	0.6
179.03491	0.6
180.04230	0.6
181.04922	0.5
185.02423	2.6
187.03987	0.3
189.01918	0.7
190.02654	0.5
191.03561	1.1
195.06656	1.2
196.06992	0.4
201.01917	2.5
202.02515	0.3
203.03581	1.4
205.01326	0.2
205.04997	0.6
213.01901	0.7
217.01395	1.1
219.02876	0.5
225.07730	0.4
226.07961	0.3
226.99899	0.3
227.03427	0.3
228.00571	0.4
229.01421	5.1
230.02071	0.4
231.03032	1.4
244.21248	0.2
245.00980	2.2
247.02560	0.3
249.04115	2.0
257.00967	3.9
258.01672	1.0
271.06406	0.3
273.00491	1.0
274.01263	0.6
275.02045	16.3
276.02356	1.1
283.99594	2.0
289.07254	0.8
299.99194	2.7
300.99960	100.0
302.00293	6.7
341.10754	0.3
378.08313	0.3
519.31549	0.4
542.13239	1.6
656.89954	0.3
692.14502	0.4
844.13959	13.2
845.14063	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	841.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.9
65.00201	0.7
67.01779	2.1
68.99694	1.0
69.03340	2.2
69.58671	3.1
71.01263	3.6
72.99189	1.2
73.02856	0.4
79.01781	2.2
81.03365	1.1
83.01277	1.4
85.02851	1.0
87.00768	1.4
93.03334	0.8
95.01283	8.8
95.04894	0.6
96.95919	0.7
97.02280	0.6
97.02830	3.2
98.19842	0.6
99.00760	0.7
101.02316	0.8
107.01293	13.9
109.02862	1.2
109.06513	0.4
111.00786	4.2
113.02333	0.9
119.04926	1.2
121.02840	0.8
123.00798	28.1
123.04411	0.8
124.01627	4.5
125.02363	100.0
126.02689	2.6
127.00259	2.2
135.04446	0.5
136.98715	2.6
137.02393	2.7
139.00296	8.3
139.03911	0.7
140.01102	6.4
141.01865	2.5
145.02835	1.2
147.04451	1.2
149.02359	1.4
149.06064	0.5
150.03156	0.9
151.00305	6.5
151.03963	1.1
153.01863	1.4
159.04398	0.8
161.02396	1.3
161.09657	0.7
161.52113	0.4
162.03085	0.4
163.03947	1.3
164.01088	0.9
165.01891	1.8
165.05484	0.5
166.99803	7.6
167.03568	0.6
168.00598	11.1
169.01370	93.8
170.01707	2.4
173.02406	0.6
175.03973	1.6
177.01846	1.5
177.05438	0.5
178.02675	0.8
179.03419	1.3
180.04153	0.4
181.01364	0.9
187.03955	0.7
189.01883	0.9
189.77882	0.4
190.02615	0.7
191.03450	1.6
193.01341	1.7
193.05081	1.0
201.01967	0.4
203.03377	0.6
205.01361	1.1
205.05037	1.0
205.12320	0.9
205.28650	0.5
207.03046	1.1
209.04561	0.5
210.01649	0.8
211.02441	7.9
219.02962	0.5
221.04587	0.6
222.01622	0.7
223.13457	0.5
233.04527	0.5
235.02466	0.6
237.04106	0.9
241.03461	0.6
249.04166	0.8
271.04718	1.8
287.05630	0.6
289.07281	1.0
295.04492	1.9
297.06012	0.7
299.98773	0.5
300.99969	5.8
302.00162	1.1
303.00470	0.6
313.05673	2.6
389.55209	0.4
396.22009	0.5
431.08600	0.4
447.56766	0.5
461.56799	0.4
501.17633	1.1
503.19162	2.2
519.18835	8.3
520.18927	1.4
537.19861	6.6
538.20551	0.7
582.26685	0.5
671.19843	12.1
672.20422	1.8
689.21002	27.0
690.21484	4.1
841.22186	84.4
842.22394	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	839.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	16.7
61.98721	46.7
70.60432	3.8
71.01276	11.9
71.57948	6.5
71.82802	4.7
72.99193	5.2
78.95807	5.3
82.95287	15.2
89.02328	6.2
96.95900	17.5
101.02336	11.0
112.65778	4.3
113.02353	4.7
121.02881	6.0
125.02345	17.5
147.90218	3.9
169.01338	12.9
175.27307	4.3
208.61958	4.5
211.13377	100.0
211.15384	5.1
227.12799	5.0
243.70512	4.4
253.09105	5.4
259.57498	3.9
265.82550	3.9
280.74924	4.2
311.58728	4.3
397.13785	24.2
415.14575	5.6
591.26031	20.3
609.27753	19.9
803.40997	9.6
839.38776	48.2
840.38605	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	839.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.61152	0.1
71.38251	0.2
80.21716	0.1
109.02898	0.1
113.70339	0.1
117.03383	0.3
118.07337	0.1
123.00795	0.2
123.04399	0.2
124.51978	0.1
125.02370	0.8
129.03365	0.2
129.54526	0.1
131.79561	0.1
133.02882	0.2
137.02396	0.1
145.02873	0.9
147.04442	0.3
151.00369	0.1
157.02888	0.3
159.04402	0.1
161.02403	0.4
163.03952	0.3
164.01108	0.3
165.01866	0.1
169.01355	0.4
173.02414	1.1
175.03897	0.1
184.01643	0.1
185.02403	2.0
189.01900	0.2
191.03467	0.1
199.00398	0.1
200.01158	0.1
201.01932	1.8
202.02364	0.1
213.01981	0.2
216.00569	0.1
217.01445	0.3
226.99864	0.5
228.00546	0.2
229.01431	3.0
230.01854	0.1
240.00703	0.1
244.00143	0.2
245.00941	1.3
254.99474	0.2
257.00940	1.6
271.06430	0.2
273.00455	0.4
275.01883	0.1
283.99680	2.1
285.00180	0.1
285.19165	0.1
289.07260	0.3
299.99203	1.9
300.99960	100.0
302.00281	6.0
302.03802	0.2
355.74966	0.1
537.19812	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
70.95381	0.3
89.82822	0.1
91.30923	0.1
96.05637	0.1
102.38612	0.1
103.72567	0.1
109.02786	0.2
122.93140	0.1
123.04451	0.2
125.02393	1.7
129.03435	0.3
133.02937	0.2
137.02383	0.3
145.02881	1.0
147.04457	0.3
151.04030	0.2
157.02913	0.4
161.02394	0.4
163.03922	0.3
164.01126	0.5
165.01962	0.2
169.01431	0.8
173.02374	1.2
175.03975	0.2
177.01912	0.2
185.02408	2.3
189.01834	0.4
190.99835	0.4
199.00406	0.2
201.01932	1.7
202.02229	0.2
206.02226	0.3
211.00568	0.2
211.02486	0.3
213.01846	0.3
216.00552	0.2
217.01375	0.4
219.03041	0.2
221.04565	0.5
222.87601	0.2
226.99904	0.4
228.00708	0.2
229.01448	3.0
230.01732	0.3
245.00943	1.3
254.99434	0.3
257.00934	1.5
258.01514	0.2
271.04773	0.6
273.00534	0.4
275.01993	0.2
276.27005	0.2
282.98972	0.2
283.99686	2.6
287.05624	0.2
289.07227	0.4
299.99219	2.4
300.99963	100.0
302.00317	7.4
331.06931	0.2
453.86087	0.2
756.16760	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.6
61.98732	0.4
65.05170	0.4
69.03349	0.6
70.74702	0.4
71.01268	2.0
71.31494	0.4
81.03370	0.5
83.04928	1.0
85.02829	0.6
87.00748	0.7
89.02339	1.3
93.97139	0.4
95.01295	1.1
96.95327	0.5
96.95914	1.2
97.02839	0.7
98.20737	0.7
101.02334	1.0
108.00278	0.4
109.02865	0.9
112.94650	0.4
113.02348	0.7
116.92809	0.6
119.04942	1.1
121.02860	0.6
123.00819	3.6
123.04455	0.9
124.01545	0.5
125.02368	9.0
126.02714	0.6
128.09723	0.4
133.02911	0.6
137.02379	1.4
139.00272	0.4
139.04022	0.4
145.02843	2.0
147.04424	1.3
149.02367	1.0
150.03145	1.1
151.00343	0.9
151.03932	1.1
157.02946	0.8
158.36363	0.4
159.04445	1.1
161.02432	1.9
163.00369	0.6
163.03967	1.8
164.01085	0.6
164.04547	0.6
164.11630	0.4
165.01820	1.5
165.05505	1.1
166.02657	1.4
169.01395	5.7
171.10298	0.6
173.02425	2.1
174.02971	0.5
175.02599	0.6
175.03917	2.8
177.01834	1.2
179.03508	0.6
179.05521	0.4
180.04242	0.5
181.05011	1.5
181.26041	0.4
185.02399	3.4
187.03926	0.9
189.01895	1.5
191.03448	2.8
195.06584	1.3
195.78870	0.4
201.01956	3.6
202.02631	0.4
203.03476	3.4
205.05025	0.7
207.02907	0.4
209.11819	6.3
210.12144	4.1
211.12381	1.7
212.12625	0.8
213.01891	1.0
217.01369	2.0
219.03073	1.1
226.99893	0.6
227.12914	0.8
228.13228	0.8
228.68170	0.5
229.01376	6.1
230.02061	0.6
231.03017	3.6
245.00909	4.0
245.08174	0.5
247.02530	3.1
248.03227	3.3
249.04047	5.6
257.00989	5.0
258.01678	1.2
259.02341	0.7
273.00549	3.0
274.01193	1.7
275.02020	11.7
276.02390	0.7
281.04697	0.6
283.99689	2.0
284.99982	0.5
289.07269	1.2
291.01599	1.4
299.99146	3.2
300.99957	100.0
302.00278	7.4
397.13647	1.1
417.15564	0.9
633.05756	0.7
669.14819	0.8
814.50562	0.5
839.16913	38.1
840.17169	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	839.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	0.3
61.98693	0.3
62.44450	0.2
65.00192	0.2
69.03346	0.3
69.61578	1.4
71.01270	0.3
82.92748	0.2
85.02842	0.2
93.03347	0.3
95.01287	1.4
97.02887	0.3
101.03853	0.3
105.03340	0.2
107.01314	0.4
109.02875	0.6
111.00789	0.3
117.03401	0.4
119.04947	0.6
121.02876	0.8
123.00806	3.5
123.04381	0.2
124.01588	0.6
125.02367	5.3
129.03375	0.5
133.02878	0.6
135.04431	0.5
137.02382	0.7
139.00334	0.3
141.01857	0.3
141.03532	0.2
145.02888	2.1
147.04454	1.7
149.02376	4.6
151.00281	0.5
151.03951	0.5
157.02843	0.9
158.03746	0.4
159.04482	1.1
161.02417	1.2
163.00275	0.2
163.04002	1.7
164.01089	0.4
164.04761	3.0
165.01872	0.6
165.05490	0.2
166.99817	0.5
168.00591	0.3
169.01389	2.9
173.02431	2.7
174.03072	0.7
175.00400	0.3
175.03979	2.3
177.01930	1.3
179.07162	0.3
181.06566	0.2
185.02432	3.8
186.02853	0.2
187.03983	0.8
189.01935	1.4
190.02675	1.7
190.99861	0.2
191.03476	2.9
192.04169	0.3
193.01414	0.3
200.01050	0.4
201.01926	3.9
202.02536	0.6
203.03496	3.8
204.03999	0.4
205.01491	0.5
205.05090	0.7
208.03871	0.2
211.02383	0.2
213.01936	0.8
214.02637	0.3
215.00002	0.3
215.03430	0.3
216.00618	0.3
217.01421	1.7
218.02286	0.3
219.02942	1.2
220.03452	0.3
221.04535	0.5
221.08250	0.2
223.06076	0.9
226.99866	0.5
228.00729	0.4
229.01451	7.5
230.02136	1.1
231.03012	4.6
232.03262	0.3
239.03580	0.3
241.01364	0.2
241.04950	0.3
243.03120	0.3
245.00954	4.2
246.01437	0.4
247.02483	2.3
248.03276	4.3
249.04079	4.9
254.99290	0.3
256.00238	0.2
257.00952	5.3
257.04810	0.2
258.01630	1.3
259.02448	0.2
267.03088	0.3
273.00439	3.7
274.01193	1.8
275.02036	11.8
276.02402	0.7
283.99716	3.0
285.00488	0.4
285.04083	0.2
289.07193	0.4
289.51489	0.2
291.01483	1.9
299.99158	4.3
300.99951	100.0
302.00293	6.8
315.01544	0.3
425.94730	0.2
445.03592	0.3
463.05386	0.3
532.23901	0.2
569.24078	0.3
615.06287	0.4
669.11359	1.1
839.13275	30.1
840.13593	5.9
868.19635	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01272	13.6
59.98277	1.9
60.28572	1.5
61.98710	7.1
63.13794	1.5
71.01282	12.6
71.60086	1.6
76.04288	1.8
78.95798	6.0
79.95647	2.8
83.01270	4.4
83.04913	2.0
85.02863	2.1
87.00768	2.5
89.02342	6.6
89.06986	1.7
95.01283	1.8
95.04927	1.7
96.95924	96.8
96.96866	3.8
97.02854	1.9
97.06506	4.9
101.02337	9.5
111.08064	7.4
113.02345	5.3
114.49316	1.5
119.03381	1.9
123.04459	2.4
123.08078	3.3
125.02419	2.0
125.09648	6.3
136.07259	1.6
137.09651	2.0
155.10777	1.8
161.04501	3.4
163.11247	4.8
165.12708	1.9
167.10764	2.0
169.01262	1.7
169.12306	2.1
171.10237	4.0
177.12802	2.6
185.11864	7.4
191.14401	6.7
195.13884	12.0
197.11858	15.1
201.11235	3.1
209.11827	17.0
211.13437	4.1
223.13489	9.6
225.11182	1.7
227.12894	5.0
235.08269	4.1
237.11418	2.2
245.19107	8.6
253.09325	20.4
256.13165	2.1
263.20206	3.6
275.20261	9.9
277.21799	6.2
289.18182	44.6
290.18561	3.9
291.19739	34.3
292.20001	2.5
293.21323	100.0
294.21695	10.5
307.19238	39.8
308.19595	3.3
309.20703	9.7
310.21146	2.0
431.03662	2.0
522.81055	1.6
837.42816	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	835.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00473	0.5
59.01267	7.9
67.01799	0.2
68.99701	0.1
69.03339	0.7
71.01271	8.4
71.04910	0.3
71.61478	0.2
72.01604	0.2
72.82947	0.1
72.99205	0.9
73.02835	1.2
73.63604	0.1
75.00764	0.3
80.02568	1.3
81.03358	1.7
83.01274	1.2
83.04920	5.6
84.02055	1.1
84.05246	0.1
85.02837	2.0
87.00774	1.8
88.70104	0.1
89.02341	7.5
93.03378	0.4
95.01266	0.8
95.04922	1.0
96.95908	0.3
97.02849	1.3
97.06494	0.3
99.00784	0.5
99.04417	0.3
101.02350	6.2
107.01282	0.2
108.02116	0.2
109.02877	0.3
109.06511	0.4
111.00799	0.2
111.04463	0.3
111.08056	0.2
113.00578	0.1
113.02357	3.7
115.03893	0.2
119.03425	2.2
121.02890	0.3
122.03691	0.1
123.00792	0.3
123.04403	0.4
125.02373	3.7
125.05980	0.4
125.09622	0.3
126.02673	0.3
131.03418	0.4
133.05017	0.2
135.04494	0.2
135.08109	0.8
137.02376	0.3
139.03983	0.3
139.07571	0.2
141.01897	0.3
143.03453	1.4
145.02884	0.4
147.11728	0.2
149.02376	0.2
149.04488	0.2
149.09685	0.1
151.04001	0.2
160.01678	0.2
161.02335	0.3
161.04533	1.7
163.03955	0.1
163.11243	4.2
164.11548	0.2
165.01953	0.2
165.12802	2.4
165.60905	0.1
167.03429	0.2
169.01376	1.0
171.10170	0.7
179.05582	2.2
181.12373	0.7
182.12837	0.1
191.10770	1.2
192.68491	0.1
199.13399	0.3
203.03694	0.1
207.10320	0.2
209.11823	100.0
210.12160	5.7
210.14195	0.2
211.13428	0.1
217.07133	0.3
221.06696	0.8
221.11818	0.2
223.13725	0.2
225.11215	0.2
227.12898	14.6
228.13223	0.9
235.08220	2.2
245.06644	0.2
247.13432	0.7
248.34113	0.1
251.12971	0.4
253.09235	0.3
263.07709	0.4
265.14520	0.2
287.07837	0.9
288.07635	0.1
289.07236	0.3
300.99884	0.7
302.00467	0.3
305.08981	0.8
323.09924	0.4
345.79163	0.1
361.11853	0.1
379.12558	2.6
380.13058	0.3
397.13605	19.3
398.13898	1.5
415.14673	5.5
416.14972	0.5
419.24503	0.2
589.25208	0.2
599.92841	0.1
607.26447	1.4
608.26813	0.1
645.26520	0.1
773.37372	0.1
799.37946	0.6
817.38916	0.3
835.39398	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00480	0.4
59.01263	10.0
68.99694	0.1
69.03338	0.6
69.37189	0.9
71.01267	8.4
71.04909	0.2
72.01603	0.1
72.99194	0.6
73.02833	1.2
75.00757	0.1
80.02564	1.4
81.03341	1.9
83.01273	1.2
83.04914	5.8
84.02065	1.1
84.05225	0.1
85.02834	2.0
87.00765	1.7
89.02333	7.2
91.03933	0.1
93.03343	0.3
95.01286	0.6
95.04929	0.8
96.95911	0.1
97.02845	1.1
97.06473	0.1
99.00780	0.4
99.04434	0.1
101.02343	6.4
109.02820	0.2
109.06484	0.3
111.00800	0.2
111.04473	0.2
113.02354	3.5
115.03885	0.1
119.03419	1.8
121.02928	0.1
123.04489	0.1
123.08099	0.2
124.01584	0.1
125.02364	3.0
125.06012	0.5
125.09641	0.2
126.02685	0.1
126.42546	0.1
127.03878	0.2
127.30441	0.1
127.38967	0.1
131.03407	0.3
133.05011	0.3
135.08084	0.8
137.02383	0.2
139.03943	0.2
139.07613	0.2
141.01872	0.2
143.03430	1.1
145.04976	0.2
145.10138	0.1
147.11736	0.2
149.04495	0.2
149.09674	0.1
151.04039	0.1
160.37294	0.1
161.04500	1.4
163.07571	0.1
163.11227	4.1
164.11539	0.2
165.12794	2.7
167.03471	0.3
169.01363	0.2
169.04976	0.1
171.10214	0.7
179.03821	0.1
179.05553	1.9
181.12308	0.6
185.04501	0.2
185.11760	0.1
191.10739	1.1
192.92627	0.1
199.06044	0.2
199.13304	0.2
203.05646	0.1
207.10178	0.2
209.11809	100.0
210.12144	5.8
211.13329	0.1
217.07176	0.4
219.05008	0.2
221.06688	0.7
223.13316	0.2
227.12885	15.2
228.13194	0.9
235.08197	2.3
247.13368	0.5
251.12892	0.6
253.09320	0.4
259.08154	0.2
263.07822	0.3
265.14471	0.3
287.07755	0.8
290.07794	0.1
300.99933	0.2
301.09131	0.1
305.08801	1.0
323.09946	0.7
325.04391	0.1
361.11649	0.1
379.12506	2.4
380.12970	0.3
389.18756	0.1
397.13580	18.5
398.13910	1.2
401.23566	0.1
415.14655	5.2
416.15240	0.3
419.24655	0.2
456.50659	0.1
589.25000	0.5
607.26245	1.2
608.26581	0.2
645.28467	0.1
755.34210	0.1
799.37518	0.5
817.39441	0.2
835.39185	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00483	1.9
59.01271	22.1
61.98720	12.2
69.03335	1.7
70.76218	0.7
71.01276	100.0
71.04919	0.7
72.01612	1.7
72.99210	2.0
73.02843	6.3
75.00777	1.0
78.95805	1.6
79.59934	0.7
80.09626	0.7
81.03378	1.4
83.01283	2.0
83.04918	4.0
85.02855	6.9
87.00781	5.3
89.02339	16.3
91.23844	0.8
95.01283	1.9
95.04945	1.6
96.95927	2.1
97.02875	4.6
98.20550	1.6
99.00785	2.5
101.02364	14.0
109.02884	1.2
109.06507	6.4
113.02364	7.8
119.03441	5.4
123.04465	0.9
125.02370	8.2
125.09662	2.1
127.11230	1.3
135.08119	1.1
137.02332	0.9
139.04022	0.8
141.01810	1.8
143.03464	2.6
145.02901	1.5
149.04517	0.9
155.10732	1.3
160.01610	1.0
161.02434	1.1
161.04500	1.9
162.73038	0.8
163.03990	1.3
163.11226	6.7
165.12822	2.2
169.01393	2.3
169.12297	0.9
171.10245	13.6
179.05582	5.6
181.12317	3.3
183.13901	5.7
185.11797	3.1
193.12300	0.9
197.11771	1.0
199.09770	1.1
199.13409	13.2
201.11320	11.8
207.10260	15.6
208.10736	1.4
209.11853	40.5
210.12172	2.8
211.13409	42.9
212.13802	2.0
215.12863	1.3
221.06569	3.6
225.11353	17.6
226.11697	1.1
227.12920	26.1
228.13361	0.8
229.14490	1.4
235.08232	4.0
235.13342	0.9
243.12474	2.6
245.14064	1.2
247.13460	2.0
253.09389	1.1
289.07275	1.2
296.47171	0.8
305.08972	1.6
330.83896	0.9
373.23877	0.7
379.12534	3.2
391.32971	0.9
397.13623	24.1
398.14072	1.2
401.23282	3.5
415.14578	8.0
416.15298	1.1
419.24625	3.2
439.14651	1.0
475.60559	0.8
518.99170	0.9
569.25879	0.9
605.25317	2.0
607.26068	1.8
609.28473	1.6
623.25970	3.0
625.27661	2.9
799.37927	6.1
800.37592	1.1
817.38959	11.4
818.39441	4.1
835.40021	6.8
836.40588	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	834.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.2
61.98718	100.0
62.47902	0.1
62.98412	0.2
65.33454	0.1
71.01262	0.2
78.95795	0.3
80.96418	0.2
83.04951	0.1
83.54641	0.1
84.55921	0.1
92.73196	0.1
96.95901	0.2
98.19740	0.2
125.02380	0.4
128.00232	0.1
152.37291	0.1
164.39714	0.1
204.80801	0.1
207.10489	0.1
209.11835	0.4
211.13371	0.1
269.52988	0.1
272.90646	0.1
289.07333	0.1
309.20734	0.1
488.75095	0.1
522.48254	0.1
567.72565	0.1
636.70697	0.1
834.38306	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.9
61.98713	0.4
69.03345	1.0
71.01273	2.5
71.04922	0.2
71.58439	0.3
71.58813	0.3
71.79488	0.2
72.99191	0.2
73.02839	0.5
78.95786	0.5
81.03345	0.3
83.01302	0.4
83.04932	0.6
84.02055	0.3
85.02845	4.4
85.40520	0.2
87.00759	0.3
89.02338	0.9
93.03372	0.4
94.18783	0.2
95.04932	0.7
96.95908	0.4
97.02856	1.1
97.06493	2.4
97.18230	0.2
99.00813	0.2
101.02365	1.4
109.02853	0.4
109.06506	0.8
113.02339	0.6
115.00262	0.3
119.03392	0.4
119.04928	0.3
119.08614	0.3
123.00816	0.3
123.04440	0.8
123.08086	0.4
125.02369	2.7
125.09643	0.7
126.80826	0.2
127.07520	0.2
127.11219	1.0
135.08090	0.3
137.02386	0.7
137.09651	1.0
143.03529	0.3
145.02888	0.4
151.03960	0.5
155.10762	0.7
155.14323	0.3
161.02400	0.4
163.04015	0.3
163.11232	1.2
164.01151	0.5
165.01939	0.3
165.12839	0.6
167.14322	0.6
169.01384	0.9
171.10236	11.6
172.10555	0.4
175.02429	0.9
175.03937	0.4
175.11221	0.3
177.01886	0.4
177.12828	0.6
181.12279	0.6
183.13864	2.3
185.11830	0.8
193.12352	0.9
197.11781	0.5
204.11122	0.2
207.10268	2.7
209.11827	5.4
210.12123	0.5
211.13394	15.2
212.13727	0.9
221.11832	2.9
225.11313	2.4
227.12885	1.0
229.14470	11.7
229.16788	0.6
230.14767	0.6
239.12935	1.8
243.12309	0.3
247.20711	0.5
271.06122	0.3
289.07230	1.0
291.19717	2.5
300.99857	0.7
309.20761	0.7
327.21841	100.0
328.22189	8.2
328.26068	0.5
397.13522	1.3
398.14026	0.3
415.15045	0.3
505.33936	2.2
605.24335	0.4
618.03522	0.2
630.29480	0.3
797.36481	0.5
815.37805	0.9
833.38440	1.7
834.39178	0.4
853.98761	0.2
867.83148	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01277	1.3
62.96329	0.2
70.01752	0.7
70.02161	0.7
71.01278	0.3
78.95795	45.3
78.98490	0.3
80.96406	1.3
82.96026	0.3
94.97990	0.3
95.19250	0.3
96.96865	10.0
98.19791	0.3
134.98442	0.6
141.92451	0.2
152.99532	15.3
171.00583	0.3
217.00372	0.5
223.00134	6.0
241.01212	26.8
242.01569	0.6
255.23338	41.4
256.23676	3.8
259.02313	2.3
259.20761	0.3
277.21790	27.3
278.22159	3.0
297.03949	1.6
303.51852	0.3
315.04901	0.8
391.22650	7.2
391.27676	0.4
392.23019	0.6
409.23630	0.6
413.21094	1.4
553.27966	5.8
554.28253	0.6
571.29034	0.9
575.26038	0.9
748.36407	0.3
830.52081	0.5
831.50470	100.0
832.50812	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.2
65.00218	0.2
68.99750	0.1
69.31999	1.0
69.32404	0.3
71.01276	0.2
82.02867	0.2
83.01286	0.2
86.83926	0.1
89.03883	0.2
95.01303	0.3
96.95911	0.5
97.02860	0.2
98.20569	0.2
105.03365	0.2
107.01282	0.2
108.86378	0.1
109.02871	0.4
111.00774	0.2
115.01805	0.1
117.03378	1.0
118.27341	0.1
119.04944	0.3
121.02890	0.1
123.00800	0.8
123.04461	0.3
124.01597	0.3
125.02383	2.5
126.02718	0.2
129.03418	0.5
131.04924	0.2
132.02122	0.4
133.02908	1.6
135.04399	0.2
137.02373	0.5
139.00305	0.1
139.03894	0.1
141.03389	0.2
145.02890	3.1
146.03322	0.2
147.04472	1.3
148.01547	0.2
149.02390	0.3
151.00253	0.2
151.03943	0.3
157.02917	1.7
158.03525	0.3
159.04466	0.7
160.01537	0.3
161.02402	1.2
162.03015	0.1
163.00343	0.2
163.03961	3.2
164.01091	0.2
164.04443	0.1
165.01817	0.2
166.99896	0.2
169.01398	1.7
169.02765	0.2
170.01672	0.1
171.00868	0.5
172.01624	1.4
173.02406	6.2
174.02992	0.4
175.02527	0.3
175.03964	1.6
176.01106	0.3
177.01868	0.8
179.03487	0.2
184.01674	0.1
185.02420	2.8
187.00290	0.2
187.03926	0.2
188.01144	0.3
189.01881	1.5
190.02542	0.6
191.03503	1.1
192.53976	0.1
199.00351	0.4
200.01151	2.0
201.01924	7.8
202.02510	0.7
203.03502	2.6
204.03871	0.2
205.01451	0.5
212.01164	0.4
213.01941	1.1
214.02658	0.4
214.99922	0.2
216.00694	0.6
217.01410	1.3
218.02116	0.3
218.99321	0.2
219.02982	0.6
226.99931	0.8
228.00621	1.5
228.04144	0.2
229.01445	15.4
230.02048	2.2
231.03011	3.0
232.03209	0.3
240.00595	0.2
243.03070	0.3
244.00229	0.5
245.00957	3.0
246.01573	0.3
247.02513	1.5
248.02856	0.2
249.04086	0.7
254.99467	0.4
255.02963	0.2
257.00967	8.1
258.01627	2.6
270.98779	0.2
271.99777	0.9
273.00488	3.6
274.01181	1.6
275.02042	29.1
276.02368	2.2
283.02460	0.3
283.99707	1.4
285.00003	0.1
289.07312	0.7
291.01453	0.1
298.98489	0.5
299.01834	0.1
299.99167	3.7
300.99960	100.0
302.00290	8.3
319.01071	0.4
399.03448	0.2
443.02261	0.1
445.03989	0.3
468.37592	0.2
484.09232	0.1
510.06976	1.4
511.07416	0.1
527.05658	0.1
528.07965	3.1
529.08319	0.5
748.70703	0.1
786.08746	0.6
793.22644	0.1
829.25043	0.2
830.08667	4.1
830.22900	0.1
831.09167	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.7
61.98717	1.6
65.00212	0.9
67.01761	2.6
68.99728	1.1
69.03333	2.7
71.01266	3.4
71.61586	0.7
72.99197	1.2
76.69849	0.5
79.01781	2.0
81.03341	1.1
83.01286	2.0
83.81785	0.5
85.02860	1.8
87.00774	1.1
93.03351	1.1
95.01291	10.0
96.95901	1.6
97.02850	3.9
99.00776	0.6
101.02346	1.8
104.59952	0.5
107.01297	11.4
107.01964	1.0
109.02874	2.2
111.00795	4.5
113.02361	1.0
115.00280	0.6
117.03342	0.9
119.04934	1.3
121.02866	0.7
123.00803	32.2
123.04440	1.7
124.01656	3.4
125.02367	100.0
125.09675	1.4
126.02707	3.8
127.00286	1.6
133.02927	1.0
135.04442	1.0
136.98697	2.9
137.02371	3.6
139.00294	8.4
140.01096	7.7
141.01871	2.1
145.02888	1.8
147.04486	1.3
149.02383	1.8
150.03139	1.2
151.00323	5.5
151.03958	2.8
153.01883	1.7
153.26709	0.6
153.97804	0.5
154.99799	0.6
159.04500	0.9
161.02386	3.3
162.02972	0.6
163.00337	0.5
163.03964	1.9
164.01065	1.0
165.01907	1.8
165.05515	0.6
166.99835	7.6
167.03433	1.2
168.00592	10.5
169.01381	98.3
170.01698	3.9
175.02536	0.8
175.03987	2.1
176.01178	0.6
177.01884	1.7
177.05502	0.8
178.02649	1.4
179.03473	1.3
187.03987	0.8
191.03481	0.9
193.01395	1.5
193.05013	1.0
193.35899	0.5
203.03444	0.7
205.01401	0.7
205.04915	0.7
206.02242	0.6
209.11800	1.9
211.02477	7.4
219.02924	0.6
221.04544	0.6
235.02359	0.8
237.04131	1.4
264.07587	0.5
273.00192	0.9
289.07297	1.7
295.04611	1.2
300.99942	3.0
313.05643	1.9
487.20074	0.8
489.21588	2.6
505.20956	10.7
506.21158	2.4
521.90717	0.6
523.21924	7.1
524.22479	0.9
657.22064	11.2
658.21851	2.7
675.23108	18.4
675.32153	0.7
676.23828	3.1
795.36688	1.2
827.24164	70.3
828.24548	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	827.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57674	0.4
59.01263	1.4
65.00217	0.7
67.01783	2.6
68.99690	0.8
69.03334	2.2
69.29535	1.1
69.29955	2.7
71.01267	4.1
72.99206	1.1
73.02820	0.7
79.01805	1.7
81.03355	1.5
83.01266	2.5
85.02847	1.8
87.00776	1.1
89.02332	0.6
93.03372	1.0
95.01286	5.4
97.02874	2.9
99.00801	0.8
101.02341	1.7
107.01300	13.7
107.04985	0.4
108.02097	0.9
109.02873	3.8
110.00002	1.1
111.00794	6.1
113.02367	1.4
115.60274	0.4
119.04948	0.7
121.02864	2.2
122.03635	1.9
123.00806	22.4
123.04433	2.3
124.01613	6.1
125.02372	83.9
126.02711	2.4
127.00284	2.8
133.02875	0.8
135.04474	1.4
136.98730	3.6
137.02379	3.4
138.03178	0.8
139.00317	9.1
139.03951	2.2
140.01103	8.5
141.01862	2.4
142.10956	0.4
145.02867	1.1
147.04451	1.5
149.02394	1.6
149.06058	0.4
150.03093	0.7
151.00310	8.6
151.03902	2.0
153.01892	1.5
154.02664	0.6
154.99843	0.7
159.04404	0.8
160.05321	0.4
161.02417	2.9
161.06023	1.2
163.00310	0.4
163.03926	1.8
164.01096	0.5
165.01888	1.2
165.05527	3.6
166.02631	0.5
166.99840	3.9
167.03465	1.2
167.99144	0.8
168.00603	16.5
169.01385	73.7
170.01749	3.0
175.03973	1.7
177.01897	1.2
177.05588	0.5
179.03424	1.4
179.07101	1.7
181.01324	1.1
182.02164	0.6
183.02966	4.8
184.03214	0.4
185.06125	0.4
187.03949	0.5
189.01935	0.4
190.02635	0.4
191.03473	0.9
191.07156	0.5
193.01424	1.2
193.04970	0.8
194.99236	0.4
195.02884	0.6
195.06564	0.5
203.03279	0.6
203.07240	0.5
205.01448	0.6
205.05121	1.0
211.02473	6.3
219.06731	0.5
220.68968	0.4
223.09778	1.1
227.03525	0.4
237.04083	1.4
241.03595	0.5
245.08278	0.7
255.02937	0.4
271.04541	3.9
273.00452	0.4
275.01880	0.5
289.07278	4.1
295.04672	0.7
297.06186	0.6
301.00000	2.1
313.05801	3.5
313.14478	0.6
315.12366	0.6
319.41846	0.4
329.13965	0.9
339.44702	0.4
343.11929	0.5
347.15106	4.3
361.16544	2.7
383.09814	0.8
385.13007	1.0
401.11243	0.4
407.07660	0.6
441.08206	1.4
451.10590	0.9
461.12177	0.5
467.13525	0.9
491.19110	1.8
492.19495	0.5
505.15344	2.7
509.20334	2.8
510.20514	0.7
523.15656	0.5
657.21906	2.6
675.23016	3.8
676.22272	0.6
827.24268	100.0
828.24609	26.2
828.37354	0.3
837.33551	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	0.2
61.98719	100.0
62.98425	0.1
71.01274	0.3
71.57146	0.2
75.00779	0.1
78.91785	0.2
78.95792	0.2
79.95626	0.2
80.96416	0.3
92.18642	0.1
94.97975	0.1
96.95929	0.4
96.96840	0.1
124.36179	0.1
132.51476	0.1
133.84964	0.1
147.29105	0.1
167.13924	0.1
171.10182	0.2
211.13423	0.2
234.87883	0.1
239.83377	0.1
265.10712	0.3
277.21863	0.2
285.43936	0.1
293.21353	0.2
458.08554	0.1
538.71661	0.1
731.38092	0.2
796.24261	0.1
820.42542	0.2
821.41638	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
61.29964	0.3
69.30142	0.9
69.30563	1.7
74.83629	0.2
82.02873	0.8
85.02824	0.3
89.03870	0.3
93.03355	0.3
95.01289	0.7
96.95914	0.5
105.03388	0.3
111.00829	0.3
117.03359	1.3
119.01336	0.2
119.04935	0.9
121.02883	0.8
123.00822	1.7
123.04436	0.5
125.02379	1.9
129.03430	0.4
132.02173	0.6
133.02892	7.3
135.04449	0.9
137.02446	0.3
139.03928	0.5
145.02898	4.6
147.00879	0.3
147.04463	1.3
149.02393	2.8
151.03937	0.3
157.02896	1.0
159.04462	0.6
160.01590	0.6
161.02402	4.8
163.03954	2.9
165.01852	0.5
166.99840	0.5
167.03442	0.9
169.01411	1.2
173.02396	4.2
174.02901	0.4
175.03987	1.4
177.01863	0.7
179.03456	0.5
185.02441	2.3
187.00208	0.3
188.01140	0.7
189.01910	12.9
190.02469	1.2
191.03441	1.1
191.05659	0.3
200.01117	0.6
201.01913	3.5
203.03476	2.3
205.01384	0.5
213.01913	1.0
216.00645	7.0
217.01411	17.1
218.01868	1.1
219.02951	1.1
226.99902	0.6
228.00697	1.6
229.01460	5.0
230.02011	0.7
231.02965	1.6
242.99365	0.4
244.00157	12.0
245.00934	27.7
246.01424	2.5
247.02507	12.0
247.05096	0.5
248.02945	0.9
249.04056	1.0
254.99390	0.4
257.00937	3.6
258.01755	1.2
270.98947	1.1
271.99658	2.9
273.00467	100.0
274.00842	8.3
275.02029	14.8
276.02350	1.0
283.99695	1.9
284.02750	0.5
289.07205	0.3
291.01508	8.9
292.01834	0.5
299.99313	2.5
300.99954	67.3
302.00302	5.8
356.22406	0.3
415.28027	0.3
431.10062	0.5
502.10181	0.9
546.09021	70.3
547.09363	10.5
820.09650	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.6
58.00478	0.9
59.01269	14.9
61.98704	1.1
63.30625	0.2
67.01754	0.2
68.19378	0.2
68.99701	0.4
69.03348	1.5
69.83851	0.8
69.84267	0.4
71.01271	14.8
71.04910	0.4
72.99205	1.2
73.02831	2.1
75.00762	0.4
78.95787	0.2
80.02564	1.3
81.03357	2.0
83.01277	2.1
83.04919	5.4
84.02052	1.0
84.05247	0.3
85.02841	3.7
87.00780	3.7
87.49784	0.2
89.02341	13.1
89.90038	0.2
91.03936	0.3
93.03355	0.4
95.01302	1.2
95.04917	0.9
96.95908	1.1
97.02855	2.0
97.06520	0.3
98.19886	0.4
99.00783	0.9
101.02349	11.9
107.01281	0.2
109.02846	0.6
109.06511	0.3
111.00817	0.3
111.04427	0.5
113.02360	6.9
114.35507	0.2
115.03905	0.3
119.03427	3.4
121.02876	0.2
123.00884	0.3
125.02364	5.9
125.03245	0.4
125.06014	0.7
127.03920	0.4
131.03416	0.5
133.05008	0.3
135.08086	0.6
137.02373	0.5
139.03931	0.6
139.07582	0.3
141.01819	0.5
143.03444	1.9
145.02864	0.6
149.04523	0.3
151.03911	0.3
155.10750	0.3
161.02431	0.4
161.04506	3.3
163.03853	0.2
163.11241	4.3
164.11443	0.3
165.12822	3.0
167.03423	0.3
167.10751	0.3
167.14398	0.5
169.01405	0.7
171.10287	0.5
179.05585	4.3
181.12289	0.8
183.13867	5.3
184.14236	0.4
189.12727	0.2
191.10773	1.1
193.12341	1.3
199.06062	0.3
199.13443	0.2
207.10213	0.2
209.11832	100.0
210.12161	6.0
211.13393	75.0
212.13757	4.5
217.07191	0.7
221.06656	1.4
225.11313	0.4
227.12907	12.7
228.13179	0.5
235.08249	4.1
249.14929	0.5
251.12892	0.6
253.09399	0.7
253.14542	0.3
259.08237	0.5
263.07870	0.4
287.07751	1.3
289.07266	0.2
300.99954	0.3
301.09250	0.2
305.08966	1.8
323.09900	1.1
379.12552	6.7
380.12918	0.5
397.13605	34.9
398.13956	2.7
403.24966	0.4
415.14661	8.9
416.15131	0.4
589.25232	1.1
590.25482	0.3
591.26788	1.8
607.26172	2.2
609.27869	2.1
610.27612	0.5
783.38190	1.0
801.39276	0.7
819.39838	0.7
824.56732	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.1
61.98718	100.0
62.98416	0.2
70.38338	0.1
75.00764	0.1
78.91791	0.2
78.95835	0.1
79.91685	0.1
80.96436	0.1
85.02838	0.1
89.02336	0.1
91.05042	0.1
96.95926	0.1
101.02414	0.1
145.99179	0.1
162.26123	0.1
176.11723	0.1
209.11839	0.8
210.12161	0.7
210.13698	0.1
211.12515	0.2
227.13031	0.1
228.13359	0.1
253.09322	0.1
255.09972	0.1
277.21719	0.5
278.22110	0.5
279.22397	0.3
280.22952	0.1
291.19897	0.1
332.98141	0.1
360.74768	0.1
455.66098	0.1
819.42474	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	819.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.4
58.00480	0.9
59.01268	15.6
61.98716	1.0
65.24239	0.2
68.99704	0.3
69.03342	1.4
71.01272	15.5
71.04758	0.4
72.01591	0.2
72.99200	1.6
73.02843	2.2
75.00747	0.3
80.02567	1.0
81.03345	2.3
83.01283	1.9
83.04922	5.4
83.34306	0.2
84.02069	0.9
85.02839	3.8
87.00777	3.9
89.02341	13.0
90.02647	0.3
93.03397	0.2
95.01302	1.2
95.04934	0.6
96.95928	1.0
96.96843	0.3
97.02852	2.1
97.06490	0.2
99.00785	0.9
99.04429	0.3
101.02351	11.0
109.02864	0.4
109.06519	0.5
111.04415	0.5
113.02368	6.4
115.03920	0.4
119.03429	3.7
121.02858	0.3
123.00769	0.2
123.04441	0.3
124.01610	0.2
125.02373	6.0
125.05989	0.7
125.09614	0.2
131.03447	0.5
133.05061	0.3
135.08099	0.7
137.02321	0.5
137.09679	0.2
139.03952	0.5
141.01895	0.2
143.03471	2.3
143.34119	0.2
144.35277	0.2
145.02895	0.2
145.05013	0.3
147.11726	0.3
149.04532	0.5
151.11214	0.2
161.02480	0.3
161.04515	2.9
163.03970	0.3
163.11232	4.2
165.01845	0.2
165.12817	2.9
167.03419	0.3
167.14362	0.7
169.01410	0.8
171.10252	0.5
175.02516	0.3
179.05603	3.7
179.07140	0.4
181.12332	0.8
183.13869	5.5
184.14256	0.5
184.42712	0.2
191.10765	1.3
193.12334	1.6
199.06087	0.5
199.13330	0.2
207.10246	0.3
209.11833	100.0
210.12180	5.7
210.14183	0.3
211.13394	82.3
212.13737	4.9
217.07152	0.7
221.06673	1.4
227.12910	15.9
228.13252	0.7
235.08264	4.3
245.06516	0.2
249.14926	0.5
253.09386	0.7
259.08200	0.4
263.07828	0.3
287.07947	1.5
289.07172	0.2
301.00000	0.3
305.08884	1.9
323.10010	1.1
379.12521	6.2
380.12888	0.6
397.13605	38.6
398.13937	3.3
403.24878	0.3
415.14691	8.8
416.14935	0.6
447.22903	0.2
589.24908	1.0
591.26459	1.7
592.27625	0.4
607.26239	2.6
608.26532	0.3
609.27759	3.3
610.27863	0.4
625.27057	0.3
665.72003	0.3
783.38202	0.7
801.38501	1.3
819.39911	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57744	0.2
59.01268	0.3
60.91702	0.1
61.98718	100.0
62.98412	0.2
78.91719	0.2
79.74792	0.1
80.96393	0.3
96.95930	0.2
98.19760	0.6
125.02371	0.8
151.03957	0.2
164.01080	0.2
167.03453	0.2
169.01376	0.4
207.10402	0.2
209.11858	0.3
230.36783	0.2
235.80977	0.2
239.55013	0.2
241.94815	0.2
293.21216	0.3
301.00024	1.9
366.12979	0.2
412.24539	0.2
422.76636	0.2
442.13925	0.2
583.26190	0.2
819.41107	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.2
61.40284	0.1
61.98716	100.0
62.98435	0.2
70.75927	0.2
71.01269	0.2
71.12363	0.1
78.72269	0.1
78.95805	0.2
79.95609	0.1
80.96414	0.2
89.02348	0.1
90.02604	0.1
96.95898	0.9
96.96866	0.1
101.02383	0.1
109.06512	0.1
125.02412	0.2
152.25500	0.1
163.11171	0.1
169.01416	0.1
171.10306	0.1
189.05467	0.1
197.11839	0.2
198.12161	0.1
207.10350	0.1
209.11882	0.4
210.12192	0.2
211.13483	0.4
212.13760	0.2
227.12964	0.1
249.75505	0.1
289.07376	0.1
309.20828	0.1
341.23340	0.1
397.13342	0.1
540.06873	0.1
800.38879	0.1
818.38007	0.1
819.38953	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	818.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	0.1
61.98719	100.0
62.98420	0.2
66.13556	0.1
67.12233	0.1
71.01289	0.1
71.21329	0.1
73.26104	0.1
78.95813	0.1
80.96426	0.1
85.02890	0.1
87.00808	0.1
136.32878	0.1
137.25552	0.1
161.04697	0.1
162.83908	0.1
179.65805	0.1
197.11870	0.2
209.11923	0.4
210.12227	0.1
211.13431	0.1
227.13008	0.1
309.20853	0.1
310.21378	0.1
397.13904	0.1
638.47491	0.1
818.50311	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	817.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
60.01598	0.9
61.98720	77.6
63.99160	0.5
69.03346	0.4
71.01282	2.4
71.59801	0.5
73.02849	0.4
78.95813	0.5
79.95653	0.7
80.83195	0.4
80.96414	1.6
83.01285	0.6
83.04887	0.3
85.02876	0.6
87.00780	0.5
89.02338	1.5
96.95914	0.6
96.99223	1.5
97.02846	1.6
101.02337	2.4
106.50407	0.4
113.02357	0.9
119.03455	0.5
123.23726	0.3
125.02390	1.4
126.63509	0.3
141.01640	58.5
142.02019	0.8
142.04993	0.5
142.73842	0.3
143.03456	0.4
151.65164	0.4
169.01373	0.7
197.11855	1.0
199.59149	0.3
207.10229	0.7
209.11879	0.6
211.13374	0.5
235.08289	0.8
243.04845	0.9
253.09267	0.7
273.16992	1.7
277.21796	5.5
305.08948	0.5
309.20767	0.6
359.22165	4.6
395.80957	0.4
397.13632	10.7
398.13751	0.8
415.14648	2.3
419.11905	1.7
437.12885	3.9
552.28558	0.4
631.26538	0.4
667.21106	0.4
675.36084	1.2
697.34247	2.9
698.33789	0.7
817.37579	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.9
60.39742	0.5
62.98602	0.4
63.02275	0.5
65.00204	1.0
71.01273	0.8
71.51135	0.5
71.61700	0.7
83.01266	1.2
93.03360	0.7
107.01275	2.6
109.02854	1.8
121.02881	2.2
125.02350	1.2
135.00800	0.8
151.00316	10.5
159.04385	0.5
161.02409	0.9
161.04579	0.4
163.00291	2.7
163.04012	0.5
164.01114	0.5
169.01373	0.9
177.01801	0.5
178.99825	6.3
189.01903	0.5
201.01979	0.5
201.05513	0.6
205.64626	0.4
211.03993	1.3
215.03462	0.5
227.03471	1.3
229.05078	0.7
243.03011	4.6
244.03526	0.8
245.01038	0.9
245.04559	1.8
247.02545	2.4
248.17392	0.6
254.02222	1.6
255.03024	15.4
256.03494	1.6
271.02524	27.8
272.03040	2.1
273.00558	1.0
273.04047	0.8
283.02621	1.8
298.98370	0.7
299.01889	0.9
300.02817	59.0
301.03543	49.5
302.03931	2.7
306.56439	0.5
331.39227	0.4
392.16412	0.6
411.64490	0.5
447.09409	100.0
448.09796	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	816.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97810	0.1
59.01266	0.6
61.98719	100.0
62.98408	0.1
62.99134	0.1
71.01285	0.1
71.59881	0.2
77.40334	0.1
78.95841	0.1
79.95627	0.2
80.96395	0.7
92.05977	0.1
101.02355	0.1
113.55448	0.1
113.81553	0.1
122.03838	0.1
125.02371	0.2
130.64835	0.1
141.01651	0.3
167.65263	0.1
169.01389	0.2
170.92192	0.1
197.11795	0.2
209.11882	0.5
210.12173	0.3
211.13545	0.3
273.17166	0.2
289.07294	0.2
289.18140	0.2
290.18607	0.2
291.18939	0.1
816.49963	0.3
817.37762	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87255	0.3
59.01263	3.8
70.48902	0.9
71.01279	2.8
72.99179	0.3
73.02842	1.0
75.00773	1.0
78.95803	2.3
79.95755	0.3
80.02560	1.1
81.03345	1.2
83.01282	0.6
83.04915	4.1
84.02058	0.6
85.02847	0.7
87.00771	0.8
88.98693	0.5
89.02339	2.2
95.04922	0.9
96.96895	0.6
101.02347	2.4
102.84663	0.3
109.06476	0.4
109.07852	0.3
113.02351	1.3
119.03413	0.7
125.05988	0.3
127.11173	0.3
135.08031	0.5
145.05013	0.3
152.99545	0.5
161.04468	1.0
163.11259	3.7
165.12796	2.2
171.10236	2.2
181.12288	0.8
191.10748	1.0
207.10370	0.3
209.11819	100.0
210.12160	6.1
223.00186	0.5
227.12906	10.4
228.13210	0.6
235.08261	3.4
241.01234	1.8
253.09328	7.4
255.23248	2.0
277.21783	77.3
278.22119	7.8
348.96414	0.4
434.71783	0.3
445.20840	3.5
513.30615	1.2
555.77350	0.3
725.39081	1.5
726.40356	0.5
797.41498	1.1
815.41876	0.5
826.98431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.3
59.01258	8.0
59.53007	0.9
61.98712	7.3
70.39089	0.9
71.01270	4.6
72.74928	0.9
72.99186	1.0
73.02851	1.5
79.95633	1.8
80.02588	1.3
80.96414	9.0
81.03349	1.1
83.04914	5.1
84.02034	0.9
85.02839	2.2
87.00750	1.7
89.02356	3.8
94.98001	1.7
96.95900	1.8
97.02875	1.2
101.02357	5.1
111.08068	4.0
113.02390	2.3
119.03432	1.2
125.02353	2.9
134.97453	1.2
141.01649	1.2
161.04460	1.3
163.11250	3.1
164.98619	1.5
165.12851	2.1
169.01302	1.2
169.12299	1.4
169.58421	0.9
179.98050	0.8
183.13788	0.9
197.11824	16.0
198.12154	1.0
199.13393	1.2
209.11832	100.0
210.12163	4.7
211.13416	8.5
223.13385	4.6
225.00787	1.9
227.12921	9.4
229.25990	1.0
235.08194	5.9
253.09349	10.8
263.20236	1.0
289.07422	1.1
291.19772	6.9
309.20795	26.7
310.21185	2.5
325.79266	1.1
397.13547	1.1
445.20956	2.4
452.54199	1.0
463.48679	1.1
545.29242	1.1
547.07031	1.2
765.82532	1.0
815.50031	7.5
816.49622	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	813.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	5.7
61.98723	8.3
71.01282	3.1
71.60430	1.4
73.02838	1.6
80.02567	1.9
81.03354	2.3
82.92516	0.9
83.01255	1.5
83.04915	5.2
85.02866	1.2
88.98724	1.0
89.02326	2.6
95.04915	1.5
96.95904	3.3
97.02847	1.5
97.06474	3.1
101.02340	3.9
108.65629	0.9
109.06514	4.5
111.08092	1.3
112.13969	0.9
113.02357	2.2
123.04403	1.1
125.02370	2.9
125.09628	3.1
135.08109	2.2
149.02431	0.9
151.04001	0.9
161.04529	1.6
163.07478	1.0
163.11235	5.9
165.12773	2.5
169.01346	3.3
171.10274	1.0
181.12347	1.7
185.11861	4.6
190.02745	1.0
191.10739	1.0
191.14348	2.9
197.11836	2.4
207.10258	13.5
209.11824	100.0
210.12183	5.5
211.13373	1.6
213.81792	1.1
214.03531	0.9
225.11336	3.9
227.10992	1.2
227.12909	11.3
235.08247	3.4
237.11127	1.1
244.81888	1.2
245.19113	4.0
253.09320	12.7
263.20111	1.8
273.00458	0.9
281.28894	1.1
289.18170	28.2
290.18484	2.3
291.19739	1.6
299.92444	1.0
307.19220	26.0
308.19534	3.1
309.20801	7.6
445.20917	1.3
461.20212	1.8
753.40692	4.5
754.41565	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.4
60.99192	16.3
65.79269	0.2
69.24265	0.2
70.69727	0.7
74.14307	0.2
83.27758	0.2
87.00771	2.3
88.00292	2.7
88.01106	0.2
88.98698	100.0
89.02335	13.2
89.99032	0.8
90.02676	0.2
98.19895	0.3
121.22419	0.3
129.71346	0.2
137.51700	0.2
142.39114	0.2
163.91457	0.2
209.11821	2.3
227.12947	0.4
232.41107	0.2
239.64903	0.2
253.09386	0.4
255.23195	0.4
261.59924	0.2
277.21747	1.4
278.22006	0.2
795.39850	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.8
57.84822	0.6
59.01264	3.1
61.98723	4.2
64.90601	0.5
65.00215	0.8
67.01752	0.9
69.03341	1.6
71.01275	3.0
71.58959	0.8
72.99189	1.4
75.00745	0.7
79.01768	1.7
81.03375	0.8
83.01299	0.9
85.02821	1.1
85.93307	0.6
87.00774	1.1
88.98735	0.9
89.02351	1.2
95.01288	2.9
96.95904	3.6
97.02844	1.7
99.00781	0.9
101.02321	1.5
103.00233	0.7
107.01299	8.9
109.02829	0.8
110.00023	0.9
111.00809	3.2
113.02340	0.8
116.92783	1.5
119.05017	0.6
119.37828	0.6
123.00819	14.3
123.04439	0.9
124.01615	3.0
125.02377	48.0
126.02699	0.8
127.00301	1.1
135.04407	0.6
136.98711	2.1
137.02368	1.7
139.00333	4.9
140.01115	4.8
141.01865	1.6
145.02855	2.1
147.04433	0.8
149.02357	1.0
151.00328	6.5
151.03903	1.8
153.01846	1.2
160.01498	0.8
161.02371	1.2
163.03938	1.1
164.01007	0.6
166.99785	1.3
167.03397	0.8
168.00626	6.2
169.01387	52.6
170.01720	1.5
175.03925	1.6
179.03395	0.6
193.05026	1.2
197.11813	0.8
209.11816	3.9
211.02419	1.5
227.12825	0.8
235.08272	0.9
237.03958	1.1
253.09293	1.2
289.07333	1.2
295.04501	0.7
300.56555	0.6
301.00085	3.0
313.05911	1.4
327.21793	3.6
356.82449	0.6
525.10437	0.7
605.73529	0.7
609.32965	1.3
627.34204	1.3
639.33673	5.1
640.34235	1.4
657.34869	8.5
658.35565	1.8
809.36255	100.0
810.36536	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	809.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03347	0.7
58.25103	0.4
59.01261	1.3
61.98718	0.8
64.43123	0.3
65.00220	0.5
67.01770	1.3
68.99706	0.5
69.03354	3.1
70.34957	0.3
70.48757	0.8
70.49150	0.7
71.01273	3.2
72.99198	2.1
73.23363	0.3
79.01791	1.3
81.03348	1.3
83.01273	1.8
85.02851	1.1
87.00760	1.9
89.02322	0.6
89.55263	0.3
93.03345	0.8
95.01286	3.7
97.02862	3.6
99.00773	0.8
101.02350	1.9
105.03370	0.6
107.01299	11.5
107.04935	0.8
108.01572	0.4
109.02848	1.5
111.00821	2.4
113.02351	2.0
116.92737	0.7
117.03407	0.5
118.74991	0.3
119.04911	1.0
121.02860	0.8
122.99908	0.7
123.00800	12.2
123.04425	1.1
124.01598	3.2
125.02370	100.0
126.02698	2.9
127.00264	0.8
127.32832	0.3
135.04460	0.9
136.98756	1.5
137.02347	3.1
138.03148	0.5
139.00313	4.1
139.03935	2.0
140.01106	4.2
140.87563	0.4
141.01859	1.6
143.03491	0.6
145.02858	1.2
147.04472	1.3
149.02388	1.5
150.03197	0.8
151.00310	6.5
151.03964	2.0
153.01855	1.4
159.04411	0.7
161.02402	2.2
163.03961	1.2
164.01091	0.8
165.01955	1.8
166.99825	1.8
167.03452	1.2
168.00604	7.6
169.01382	97.3
170.01740	3.6
175.04005	1.0
177.01923	2.1
179.03484	1.5
181.01411	0.6
183.02977	1.9
190.02759	0.5
191.03519	2.7
192.04253	0.7
193.01416	2.5
193.05031	0.6
195.02998	0.6
195.06705	0.8
205.01398	1.0
205.05042	0.6
207.03061	0.5
209.11823	0.6
211.02425	4.2
217.01244	0.4
221.04578	8.9
222.04907	0.9
223.02460	1.2
235.02458	0.7
237.04033	0.8
241.03583	0.6
253.03334	0.5
257.00836	0.4
266.04440	0.4
267.05267	0.7
269.98193	1.9
270.98947	2.3
271.06180	0.4
273.00375	0.4
275.02084	0.4
283.99649	0.9
285.00461	5.1
286.01007	0.8
289.07278	2.3
290.07605	0.6
295.04675	5.7
297.00565	0.4
297.97623	8.4
298.00638	0.3
298.98386	7.3
299.05640	0.4
299.99133	1.9
301.00003	3.2
302.00424	0.7
312.99976	21.0
313.05728	20.3
314.00717	13.9
314.06131	1.5
315.01352	2.6
325.18652	0.4
327.01672	0.4
328.02310	17.1
329.03094	22.0
330.03485	2.0
334.62119	0.4
343.01099	0.5
343.04727	4.8
347.38257	0.3
373.26007	0.7
375.27426	0.4
405.04947	0.4
465.06833	50.9
466.07156	4.8
479.08356	3.5
480.08395	0.4
491.08374	2.0
492.08734	0.5
639.09937	1.0
643.09521	1.8
657.11151	10.2
658.11505	1.0
760.34827	0.4
809.12280	61.0
810.12439	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	809.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.3
59.01268	0.5
61.98705	0.2
65.00214	0.2
65.32340	0.1
67.01771	0.5
68.99693	0.4
69.03341	0.8
71.01272	4.5
72.99197	0.4
73.02826	0.4
79.01793	0.7
81.03358	0.4
83.01278	0.8
85.02850	1.3
87.00788	0.4
93.03353	0.2
95.01299	2.1
95.04900	0.3
96.99223	0.2
97.02854	1.0
99.00784	0.4
101.02341	1.4
107.01295	7.0
107.04926	0.3
109.02856	0.8
110.00011	0.3
111.00784	1.8
113.02355	1.3
121.02872	0.6
123.00805	7.9
123.04432	0.5
124.01653	1.1
125.02369	44.3
126.02712	1.3
127.00285	0.6
133.02847	0.2
135.00690	0.2
135.04472	0.4
136.98726	0.6
137.02383	1.4
138.03169	0.3
139.00313	2.5
139.03918	0.4
140.01097	2.4
141.01854	1.2
143.03423	0.2
145.02879	0.4
147.04405	0.2
149.02403	0.9
151.00311	5.1
151.03918	1.0
152.00584	0.2
153.01871	0.7
159.04459	0.2
161.02403	0.8
163.00272	0.2
163.03929	0.5
164.01083	0.5
165.01917	0.9
166.02702	0.3
166.99831	1.4
167.03455	1.2
168.00592	3.9
169.01379	58.3
170.01744	1.9
175.00363	0.3
175.03952	0.5
177.01900	0.7
179.03477	1.1
181.01395	0.5
183.02914	0.2
190.99896	0.2
191.03487	0.4
192.00511	0.2
193.01411	2.9
194.01770	0.3
195.03011	0.4
201.11458	0.2
203.03484	0.2
203.06946	0.3
205.01405	0.4
205.04987	0.2
207.03004	0.3
211.02477	4.2
212.02797	0.2
223.02475	1.5
235.02475	0.6
237.03917	0.2
241.03539	1.0
253.03540	0.8
269.98206	0.4
271.06375	0.2
275.02039	0.3
285.00461	0.2
289.07193	1.1
295.04660	2.3
296.05341	0.3
297.06241	3.1
297.97562	1.1
298.06747	0.2
301.00000	1.3
313.00418	2.1
313.05722	21.2
314.06042	1.6
328.02374	1.9
329.02866	0.3
343.04605	0.5
364.24347	0.2
375.27527	1.1
447.06091	0.2
464.05908	0.3
465.06821	100.0
466.07178	10.2
578.06580	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42527	0.1
61.98718	0.2
65.00209	0.2
67.01775	0.2
69.03323	0.2
69.34259	1.2
71.01269	0.6
71.92728	0.1
81.03305	0.1
83.01273	0.2
85.02834	0.1
89.03869	0.4
93.03357	0.2
95.01286	1.7
97.02863	0.2
97.65913	0.2
98.20592	0.3
101.02240	0.1
104.00349	0.2
107.01283	0.4
109.02838	0.2
111.00803	0.3
115.05380	0.3
117.03391	1.0
119.04939	0.7
121.02885	0.2
123.00800	3.5
123.04402	0.2
124.01587	0.5
125.02376	5.6
129.03392	0.4
131.04951	0.4
132.02065	0.2
133.02888	0.9
134.03670	4.7
135.04381	0.6
137.02385	0.5
139.00250	0.2
141.01814	0.2
141.03427	0.2
145.02902	2.2
147.04448	1.5
149.02385	0.4
149.05978	0.4
150.03107	0.2
151.00291	0.4
151.03946	0.3
157.02925	1.0
158.03630	0.2
159.04456	1.3
160.01637	0.9
161.02391	1.4
162.03175	0.3
163.00272	0.4
163.03969	1.3
164.01105	0.3
164.04712	0.6
165.01846	0.4
166.99850	0.5
168.00592	0.3
169.01370	3.1
170.01707	0.2
172.01692	0.2
173.02390	3.1
174.03104	0.4
175.03967	2.6
176.04333	0.2
177.01907	1.4
179.03444	0.2
184.01447	0.2
185.02419	3.4
186.02835	0.3
187.04004	0.6
189.01886	1.4
190.02615	0.9
190.99794	0.4
191.03453	2.5
191.07146	0.2
192.04103	0.4
193.05051	1.2
198.46411	0.2
199.00360	0.2
200.01163	0.4
201.01918	4.4
202.02518	0.5
203.03485	3.8
204.03888	0.3
205.01396	0.5
205.05057	0.3
207.02998	0.2
211.02429	0.3
211.04135	0.2
213.01924	1.1
214.02722	0.4
214.99759	0.1
216.00523	0.3
217.01428	2.1
217.05006	0.2
218.02129	0.5
219.02975	0.9
220.03612	0.2
221.04578	0.3
225.05707	0.2
226.99915	0.5
227.03564	0.2
228.00659	0.4
229.01437	8.3
230.02063	1.1
231.00894	0.2
231.03006	4.1
232.03421	0.3
233.04556	0.2
240.00540	0.2
241.25684	0.2
242.99323	0.3
243.03252	0.2
244.00182	0.4
245.00949	4.9
246.01526	0.6
247.02522	2.3
248.03271	3.7
249.04071	5.4
250.04370	0.4
253.01160	0.2
253.05167	0.2
254.99466	0.3
255.02979	0.2
257.00977	5.5
258.01575	1.6
259.02451	0.4
269.04532	0.2
270.98941	0.2
271.99707	0.3
273.00479	3.1
274.01166	1.8
275.02029	11.0
276.02350	1.0
281.04620	0.3
282.98956	0.2
283.99704	3.3
284.02872	0.2
285.00195	0.6
285.03900	0.2
289.07416	0.2
291.01508	1.6
292.02155	0.2
295.02405	0.2
297.03854	0.2
297.97708	0.2
298.98248	0.4
299.01736	0.2
299.99185	4.5
300.02643	0.3
300.99957	100.0
302.00275	6.9
312.99957	0.7
313.05707	0.6
314.00827	0.3
315.01556	0.5
328.02438	0.3
329.03064	0.4
341.03018	0.2
343.04538	0.2
369.03009	0.1
419.06323	0.2
445.03793	0.2
463.05457	0.4
615.06104	0.5
639.10217	0.8
640.10065	0.2
657.11523	1.1
809.12280	29.1
810.12665	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	809.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
70.48234	0.2
80.99893	0.3
95.01284	1.5
117.03384	0.7
119.04939	0.7
121.02851	0.4
123.00802	3.2
124.01652	0.3
125.02370	5.1
126.00406	0.4
129.03401	0.5
131.04942	0.3
132.02109	0.6
133.02852	0.5
134.03661	4.4
135.04376	0.3
141.01857	0.3
144.83910	0.3
145.02902	2.2
147.04454	1.4
151.00314	0.6
157.02858	0.9
158.03690	0.4
159.04492	1.1
160.01588	1.2
161.02368	1.2
163.03906	1.0
164.01180	0.3
164.04739	0.6
165.01834	0.4
169.01349	2.7
173.02406	2.7
174.03113	0.3
175.03963	3.0
176.04318	0.3
177.01927	0.9
177.05611	0.4
185.02414	3.1
187.03966	0.7
189.01877	1.6
190.02724	0.6
191.03517	2.0
193.05049	0.9
200.01138	0.5
201.01910	4.1
202.02504	0.5
203.03482	3.4
213.01924	0.8
214.02617	0.3
217.01408	2.1
218.02121	0.6
219.03021	1.5
221.04585	0.4
223.96376	0.3
226.99942	0.5
229.01430	6.6
230.01968	0.9
231.02974	4.0
244.00084	0.5
245.00929	5.0
246.01616	0.4
247.02460	2.3
248.03259	4.6
249.04031	4.8
250.04338	0.5
257.00940	4.5
258.01700	1.8
259.02411	0.4
273.00494	3.5
274.01181	1.5
275.02017	12.0
276.02399	0.8
283.99634	2.8
291.01541	1.8
299.99207	4.4
300.02335	0.6
300.99954	100.0
302.00314	7.4
445.03909	0.5
463.05371	0.7
535.82117	0.3
615.06512	0.8
639.09949	1.3
761.96344	0.3
809.12286	36.3
810.12592	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	807.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35071	0.9
57.73811	1.0
65.00214	1.2
67.01773	1.4
69.03339	2.2
70.62282	2.3
70.62607	1.1
79.01772	1.3
81.03339	1.5
83.01299	2.4
94.24406	1.0
95.01289	7.2
97.02847	2.3
107.01296	1.3
109.02873	2.3
111.00802	3.9
123.00773	3.0
124.01561	1.0
125.02375	60.1
126.02724	1.5
129.03432	1.0
132.73886	1.0
133.02843	1.5
136.98790	1.0
137.02371	5.1
139.00298	4.9
145.02933	2.2
147.04411	1.0
151.00311	1.2
154.99806	4.5
157.01367	2.9
158.08951	1.3
161.02400	1.7
163.00313	15.1
163.04021	1.3
164.00764	1.2
164.98254	2.2
165.01900	9.2
166.99921	1.8
169.01395	96.6
170.01680	3.7
173.02370	2.5
175.02499	1.7
175.03923	2.2
178.99886	1.2
185.02435	4.9
189.01927	4.0
190.99844	8.7
191.03491	1.3
192.00407	1.0
193.01402	1.9
200.01207	1.0
201.01941	3.8
203.03416	2.3
206.99316	2.0
208.00180	2.9
209.00937	20.5
213.01971	1.2
217.01456	3.8
229.01477	5.9
231.03014	2.7
242.99274	1.2
243.02786	1.2
244.00041	1.3
245.00928	8.2
247.02628	1.1
251.02206	1.1
257.00986	4.8
258.01633	1.3
259.02515	2.2
270.98895	2.1
273.00497	10.9
274.01349	1.4
275.02026	8.2
283.99689	2.6
285.00400	1.1
287.01996	1.7
298.98465	2.2
299.99188	21.0
300.99973	100.0
302.00455	5.5
302.03284	1.1
312.99823	1.6
314.00681	2.5
315.01453	4.9
335.04181	3.0
343.01047	5.5
353.05197	10.9
361.02155	1.0
443.02173	1.3
445.04364	2.5
447.05603	3.5
453.07407	1.3
461.03659	6.8
463.05304	58.0
464.05530	5.9
475.05444	16.2
491.05261	1.5
493.06305	4.5
501.03104	3.5
505.06387	1.9
519.03931	1.7
523.07043	6.8
524.08148	1.6
533.05872	1.0
593.08057	2.2
613.04767	3.0
631.06195	2.1
633.07538	7.1
637.06915	1.1
644.52100	1.1
645.07568	1.7
671.05511	3.8
689.06360	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	807.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00210	1.7
69.03341	1.7
69.54758	4.7
69.55189	4.7
71.01265	1.7
83.01277	2.9
91.98399	1.1
95.01287	8.2
97.02853	2.7
98.19798	2.5
101.02357	1.4
107.01293	1.7
109.02863	1.6
111.00793	5.1
121.02811	1.3
123.00838	3.7
125.02368	65.2
126.02747	1.8
128.75470	1.1
133.02925	1.4
137.02364	6.2
139.00317	4.4
145.02928	1.6
151.00322	1.2
154.99786	3.3
161.02400	3.3
163.00330	14.0
164.98306	1.9
165.01889	8.5
166.99817	1.8
169.01379	93.9
170.01714	3.3
173.02420	3.8
175.03897	1.5
177.01863	1.7
185.02403	2.8
189.01929	4.2
190.99857	9.3
192.00400	1.6
193.01430	2.9
201.01894	5.4
203.03456	2.0
208.00093	3.6
209.00906	18.0
210.01195	1.5
215.03584	1.7
217.01405	4.3
219.02881	1.7
227.03546	1.5
228.00653	1.4
229.01399	4.6
231.03099	1.8
245.00972	7.4
247.02399	2.7
257.00946	3.5
258.01642	1.6
259.02609	1.9
269.00882	1.4
270.98898	2.1
273.00455	9.4
274.01056	1.7
275.02029	9.2
283.99683	2.4
285.00452	3.3
298.98398	3.3
299.01834	2.0
299.99152	22.8
300.99969	100.0
302.00327	7.1
314.00735	2.2
314.12225	1.2
315.01514	4.6
335.04147	3.4
343.01019	6.1
353.05179	9.0
445.04276	2.1
447.05801	3.5
461.03607	3.2
463.05319	41.4
464.05646	4.1
475.05356	12.1
476.05569	1.7
480.47415	1.3
491.05005	2.3
493.06235	3.7
501.03091	2.2
505.06244	2.0
523.07477	6.4
533.05914	1.2
593.07813	1.5
613.04907	2.7
631.06232	2.9
633.06897	5.6
645.06793	2.9
661.06647	1.6
671.05273	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	805.5125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.2
59.01265	2.8
61.98713	1.1
69.03362	0.3
71.01263	2.3
72.34975	0.2
72.99196	0.2
73.02844	0.4
73.18158	0.2
79.95603	0.3
82.95297	0.5
83.01276	0.2
85.02837	0.8
86.55874	0.3
87.00788	0.3
89.02336	2.1
91.04665	0.2
94.97958	0.2
95.01282	0.3
100.37587	0.2
100.79173	0.2
101.02333	2.2
111.08083	0.3
113.02359	1.2
113.09639	0.3
119.03501	0.4
127.03844	0.2
143.03378	0.3
145.78908	0.2
161.04518	1.4
167.10741	0.4
177.12880	0.2
179.05586	0.4
179.14383	0.7
195.13881	7.4
196.14410	0.7
198.91942	0.2
205.12421	0.6
205.15825	0.4
211.13374	0.4
223.13387	5.5
228.13660	0.6
235.08287	0.8
239.12901	0.2
249.11090	0.3
253.09325	17.0
254.09688	0.6
256.13174	0.8
265.21790	0.3
275.20209	5.2
276.20493	0.6
277.21735	0.3
286.23077	0.2
287.84164	0.2
293.21289	100.0
294.21606	8.6
461.94379	0.2
492.22275	0.4
529.30426	1.3
569.42340	1.2
683.04504	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70569	0.7
57.03342	1.3
58.00468	1.4
59.01269	23.7
60.05271	0.8
61.98714	2.0
69.03326	0.8
71.01275	20.1
71.60420	1.3
72.99183	1.4
73.02821	1.4
75.00760	1.0
80.04963	1.1
83.01276	2.2
85.02831	5.2
87.00757	1.2
88.98723	1.0
89.02333	14.8
90.29154	0.7
92.35130	0.7
93.03330	0.8
94.06511	1.1
95.01275	1.6
96.95911	11.3
99.00804	0.8
101.02347	9.5
105.05771	1.3
106.06521	4.6
107.01253	1.2
107.03658	4.3
109.02850	2.2
113.02357	7.0
119.03410	3.9
120.08109	12.8
121.02909	0.9
121.74203	0.7
122.06037	31.0
123.00793	1.6
123.04411	1.9
124.07574	0.8
125.02375	9.6
132.04454	2.3
134.06049	24.8
135.06313	1.0
136.07611	1.1
137.02361	3.4
139.00328	0.8
139.02615	0.8
145.02930	1.6
149.02402	1.1
149.04605	0.8
150.05534	1.7
151.03970	1.6
152.07112	23.0
153.07410	1.1
158.02388	1.2
160.04010	0.9
161.02390	2.0
161.04628	1.1
163.03891	0.9
164.07140	1.1
165.01851	1.2
169.01405	7.8
172.69411	0.7
174.05609	1.1
175.02412	1.0
175.03818	1.0
177.01775	0.9
179.05611	0.9
190.05072	2.8
191.05659	1.3
205.04993	0.9
209.11792	3.1
211.12363	1.4
221.10808	2.1
223.08826	4.0
224.09497	2.6
225.10239	1.5
235.08640	1.2
235.12335	1.1
236.09534	1.9
237.10355	4.9
238.11011	2.1
239.11951	7.0
241.13492	1.7
243.77898	0.9
245.00771	1.1
245.12589	0.8
248.09518	0.9
249.06664	1.1
249.10345	3.7
250.07483	2.3
251.08293	4.0
251.11923	6.8
252.12627	1.2
253.13437	1.6
261.10086	1.2
263.08359	5.8
263.11887	3.0
264.09091	10.7
265.09848	10.4
265.12985	1.2
269.13043	1.5
270.04974	0.9
271.06247	1.6
271.10876	3.0
275.02054	1.2
276.09122	2.0
277.09857	6.2
278.10657	4.0
279.11450	30.5
279.14529	1.5
280.12051	5.9
281.12909	2.6
287.09293	1.1
289.07202	3.4
291.11493	8.7
292.09082	0.9
292.12170	4.2
293.13010	1.8
295.10986	1.2
301.00000	4.3
305.09360	4.7
305.12860	1.7
307.11145	1.5
314.12448	2.2
323.10422	5.8
324.11191	4.5
325.12170	1.5
326.12473	1.6
337.11966	2.4
342.16281	1.7
355.13135	1.7
360.17111	1.6
372.17221	1.5
380.09042	0.9
383.16620	1.2
384.17090	2.8
385.17892	1.2
386.14694	1.1
386.19006	2.4
387.20322	0.9
398.18719	1.1
401.21640	1.1
402.18176	4.5
402.38174	1.1
414.18442	1.0
426.18414	3.0
427.18762	1.1
430.17749	1.1
431.18652	1.2
442.17676	1.1
444.19403	3.3
445.20004	1.9
446.17508	1.2
448.18674	1.3
449.19177	0.8
454.17880	1.2
459.18350	1.1
460.18863	1.9
461.19901	1.1
462.20459	3.2
470.17282	1.1
471.18204	2.1
472.18805	2.2
473.19336	1.5
488.18509	3.2
489.19049	1.7
490.19983	6.8
502.19931	2.4
504.21600	1.2
517.18030	1.0
520.20898	6.7
521.21521	1.5
562.22449	0.9
567.26093	1.9
593.24139	5.3
606.24744	2.5
607.25220	0.9
610.24701	0.9
611.25171	14.2
612.25281	2.5
625.26819	1.7
643.27972	28.0
644.28162	7.8
650.23706	9.9
651.24359	10.8
652.25122	1.4
659.26434	1.1
682.26318	15.4
683.27643	3.9
729.31793	1.1
745.30347	1.1
755.29736	1.2
773.30566	100.0
774.30829	23.7
805.33209	50.3
806.33551	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	805.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.9
58.00488	1.2
59.01267	23.9
70.72063	0.9
70.72422	1.2
71.00896	1.0
71.01273	18.1
72.99188	1.2
73.02821	0.8
83.01276	1.5
85.02852	3.1
87.00764	1.3
89.01823	0.8
89.02341	12.2
94.06512	1.3
95.01284	1.8
96.95913	1.0
99.00774	1.1
101.01701	0.6
101.02348	8.6
105.05728	0.8
106.06527	4.7
107.03689	2.5
109.02862	0.8
113.01727	0.5
113.02374	5.5
119.03398	3.3
119.04955	0.6
120.08110	10.8
122.06039	16.5
123.04467	0.7
125.02365	5.7
132.04480	1.8
134.06050	24.1
135.06400	0.5
136.07616	1.7
137.02345	1.4
148.07655	0.5
150.05504	1.6
151.03964	1.0
152.07114	5.0
158.02357	1.0
160.03949	1.1
160.07680	0.6
161.02362	0.9
161.04521	1.0
161.05975	0.6
162.05475	0.6
165.01833	0.6
169.01395	3.7
172.07504	0.8
174.05507	0.8
175.03984	0.8
177.01880	0.7
179.05508	1.0
185.78441	0.6
190.05089	3.7
192.06732	0.7
205.01276	0.6
211.12527	0.8
221.10732	1.3
223.08830	3.7
224.09483	1.9
225.10332	0.9
226.11043	0.7
235.08800	1.0
235.12451	0.9
236.09496	1.2
237.10335	3.7
238.11038	1.6
239.11916	6.2
241.13597	1.0
243.15016	0.7
249.06631	1.9
249.10353	1.9
250.07344	0.8
251.08249	3.2
251.11969	5.5
252.12617	0.9
253.09744	0.8
253.13437	1.2
262.07492	0.6
262.11276	0.5
263.08347	5.2
263.12006	2.2
264.09094	8.9
264.12128	0.9
265.09882	8.1
265.13049	0.8
266.10263	0.8
268.12082	0.6
271.10938	1.1
273.00385	0.6
276.09222	1.2
277.09875	6.6
278.10480	2.9
279.11429	17.7
280.12076	4.0
281.13007	2.4
283.10956	0.8
289.07172	1.1
290.07553	0.6
291.08151	0.7
291.11450	5.3
292.12213	4.4
293.13159	2.4
294.13733	1.5
295.14157	0.6
301.00046	3.9
302.00186	1.2
305.09366	2.1
307.10898	1.5
314.12527	2.1
323.10291	3.1
324.11133	4.3
325.11884	1.8
326.12537	0.8
336.11374	0.9
337.11969	2.1
338.12762	1.0
339.13727	0.8
342.16156	1.1
355.13004	0.8
358.19409	1.0
360.17065	1.1
370.15652	1.5
371.16223	0.7
372.17285	1.2
384.17438	2.9
386.14523	0.8
386.19101	2.4
391.79279	0.6
398.14789	1.3
398.19443	0.6
399.19620	1.2
400.16534	1.5
401.21066	1.5
402.18253	1.3
412.16611	1.1
414.18616	1.2
418.21631	1.2
426.18277	1.9
427.19290	1.0
428.15808	1.1
429.20831	0.5
430.17865	1.6
431.18588	1.0
433.20352	0.7
442.17865	1.0
443.18216	1.0
444.19342	3.5
445.20087	1.6
453.16833	0.9
454.17596	1.0
458.16812	0.7
459.18060	1.3
460.18921	2.2
461.19415	0.7
462.20258	3.4
471.18073	1.9
472.18835	4.1
473.19577	3.0
488.18655	0.7
490.19901	6.9
532.20966	0.9
564.23810	0.7
578.22113	0.9
593.24048	0.8
605.23859	0.7
606.23962	0.9
610.24371	1.3
623.24817	1.0
633.23047	0.6
638.26660	0.6
650.23828	3.4
651.24548	9.5
652.24420	1.0
653.20599	0.9
682.26544	5.0
683.26892	1.1
727.29541	0.7
745.31006	1.4
755.28864	0.8
773.30560	100.0
774.30963	19.7
805.33270	48.8
806.33710	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	804.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	0.4
61.98718	100.0
62.98424	0.2
71.01283	0.1
71.35233	0.1
71.56802	0.2
73.21586	0.1
73.79137	0.1
78.95809	0.6
79.95638	0.1
80.35568	0.1
80.50741	0.1
80.96429	0.3
96.95926	0.1
106.96495	0.1
139.54694	0.1
147.11749	0.2
148.12086	0.1
209.11884	0.7
210.12265	0.3
225.00912	0.1
241.01224	0.2
277.21863	0.6
278.22226	0.3
278.70074	0.1
279.22650	0.2
309.17319	0.2
341.03525	0.1
451.10849	0.1
681.59613	0.1
687.34198	0.1
804.40344	0.9
805.41034	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.9
58.00475	1.0
59.01263	16.2
61.98712	5.6
69.03337	2.3
70.82227	1.1
70.82604	1.3
71.01270	42.4
72.01594	0.6
72.99189	1.7
73.02839	3.7
78.95800	3.2
79.95610	1.5
81.03338	3.0
83.01268	3.2
83.04910	3.8
84.02049	1.6
85.02840	5.3
87.00787	4.1
89.02335	11.1
93.03316	0.6
95.01266	2.0
95.04932	1.3
96.95911	31.7
96.96825	2.9
97.02847	3.5
97.06482	4.6
99.00799	1.4
99.04446	0.6
101.02348	11.7
107.04901	0.7
107.76711	0.7
109.02825	0.7
109.06498	4.8
111.00819	1.0
113.02358	6.4
114.90913	0.6
119.03408	2.2
125.02379	5.4
125.09641	3.9
127.11189	1.6
128.90063	1.4
131.03400	0.6
135.08066	1.1
137.02393	0.7
137.09674	1.0
139.03938	0.6
143.03416	1.2
145.05009	0.7
151.11264	1.0
155.10806	0.6
159.78493	0.6
161.02376	0.6
161.04506	3.6
161.09645	1.2
163.11237	4.5
165.09131	1.1
165.12793	1.7
167.10780	1.2
167.14244	0.7
169.01350	1.4
171.10219	33.3
172.10533	1.1
179.05571	2.6
179.10719	0.6
181.12291	2.2
183.10199	0.6
183.13873	7.6
185.11760	1.7
189.09161	1.2
191.10718	2.0
193.12277	7.1
194.12634	0.6
197.11809	2.2
199.09755	0.7
201.11287	10.8
207.10248	14.5
208.10562	1.0
209.11819	31.7
210.12132	1.5
211.13382	100.0
212.13718	6.3
217.07169	0.9
221.11919	1.1
223.13400	0.6
225.11328	21.3
225.14815	7.1
226.11839	2.0
227.12904	4.2
235.08232	7.1
241.14420	10.6
242.14857	1.0
243.12355	1.4
243.16101	5.0
253.09335	12.3
253.14491	0.8
254.09756	0.9
287.07825	0.8
289.18179	0.6
291.19849	0.6
295.10471	0.7
305.08517	0.7
321.20886	1.6
323.22440	0.8
341.23367	50.3
342.23724	4.2
368.62357	0.7
379.12500	3.3
397.13547	18.5
397.18600	1.2
398.14029	1.6
407.19348	1.2
415.14658	4.5
443.19223	1.1
461.20404	3.7
462.20422	0.7
479.21262	0.7
514.80743	0.7
577.32861	0.6
591.26709	4.7
609.28015	5.6
785.42944	3.5
786.42950	1.1
803.42444	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	803.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	1.1
59.01265	16.9
61.98717	5.4
66.38012	0.7
69.03342	2.2
71.01270	60.6
71.29754	0.9
71.60446	1.1
72.99191	1.3
73.02825	3.1
75.99317	0.8
78.95773	4.3
79.95616	1.6
81.03364	2.1
83.01268	4.1
83.04926	3.8
84.02070	3.5
85.02831	4.4
87.00783	5.9
89.02335	12.5
93.03363	1.0
95.01267	2.3
95.04943	1.7
96.95913	38.1
96.96828	4.8
97.02870	4.1
97.06475	4.8
99.00793	2.1
101.02334	11.1
109.02855	1.5
109.06508	5.4
111.08035	0.8
113.02357	6.5
119.03425	3.4
121.06506	1.1
125.02369	6.0
125.09656	4.6
127.11250	1.1
128.90085	1.8
129.01837	1.6
131.03403	1.2
133.01413	1.0
133.05008	1.5
135.08028	1.5
136.60242	0.8
137.02362	1.1
137.09612	1.1
143.03410	2.4
151.03993	0.9
151.11137	1.1
155.10718	1.5
161.04482	2.1
163.03992	1.1
163.11234	5.1
165.12798	1.2
169.01399	2.1
169.12363	1.0
171.10222	34.7
172.10628	1.3
179.05487	4.2
179.10745	1.3
179.60530	0.8
181.12259	2.5
183.13887	7.3
185.11800	2.3
191.10690	1.4
193.12294	8.7
197.11758	2.5
199.09714	1.0
199.13326	1.6
201.11282	12.3
207.10223	18.5
208.10638	1.2
209.11816	26.4
210.12184	1.5
211.13380	100.0
212.13718	6.4
225.11328	23.8
225.14784	8.6
226.11816	1.8
227.12831	3.6
235.08179	6.0
241.14455	10.9
243.12312	1.5
243.15926	4.5
253.09349	13.7
253.14467	1.3
295.10376	1.0
300.99710	1.4
321.20758	1.7
323.09763	1.2
323.22266	1.1
341.23389	57.3
342.23779	5.0
379.12595	4.7
397.13577	19.8
398.13831	1.3
415.14697	5.6
443.19260	1.5
461.20407	4.2
495.33307	1.0
577.32214	1.6
591.26807	4.7
592.26294	1.1
609.27692	6.1
676.34094	1.0
785.42609	4.9
786.43359	1.8
803.43134	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.4
58.00478	0.5
59.01265	9.0
61.98713	1.9
68.99728	0.2
69.03333	1.1
69.33998	1.9
71.01270	8.9
72.99198	0.9
73.02838	1.5
75.00756	0.3
78.95782	0.3
81.03327	0.5
83.01276	1.2
83.04918	0.4
85.02853	2.0
85.53730	0.2
87.00774	2.4
88.98715	0.3
89.02338	7.6
91.03911	0.3
95.01316	1.0
96.95915	1.6
96.96862	0.3
97.02841	1.4
98.20535	0.4
99.00790	0.6
101.02348	7.0
105.10639	0.2
107.58073	0.2
109.02852	0.5
111.00734	0.2
111.04443	0.4
113.02360	3.7
119.03410	2.1
123.00815	0.2
123.04422	0.3
125.02366	4.2
130.08655	0.2
131.03430	0.4
137.02377	0.3
139.03925	0.2
143.03383	1.2
145.02953	0.3
149.04495	0.3
149.76465	0.2
151.03961	0.4
155.10727	0.4
161.02467	0.2
161.04503	1.9
163.04025	0.2
165.12775	0.3
167.03419	0.3
167.10742	0.3
167.14348	0.7
169.01375	0.6
171.10197	0.3
179.05586	2.1
181.12224	0.2
183.13873	6.5
184.14301	0.2
185.11786	0.2
193.12338	1.7
199.05988	0.2
209.11844	1.5
211.13388	100.0
212.13728	5.6
217.07111	0.4
221.06665	0.8
227.12970	0.2
235.08301	2.5
253.09300	0.7
253.14574	0.4
259.08182	0.2
260.41534	0.2
263.07626	0.3
287.07831	0.7
289.07104	0.5
300.99927	0.3
305.08835	0.6
323.09885	0.7
341.23477	0.3
353.74298	0.2
379.12509	4.4
380.13110	0.3
387.25879	0.2
397.13599	20.4
398.13986	1.3
405.26752	0.5
415.14676	4.1
415.19946	0.3
416.14807	0.4
429.21689	0.3
439.23270	0.2
591.26733	5.1
592.27014	0.8
609.27820	5.9
610.28027	0.7
664.01978	0.2
785.39545	1.4
803.40845	1.0
809.75024	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61976	0.1
59.01259	0.1
61.98718	100.0
62.98415	0.1
62.99170	0.1
70.14573	0.1
70.14992	0.2
71.01276	0.1
78.95824	0.1
79.95624	0.1
80.96410	0.2
109.80420	0.1
114.87867	0.1
125.02401	0.2
151.03952	0.1
209.11801	0.3
210.12379	0.1
211.13467	0.2
233.72641	0.1
292.69342	0.1
318.00763	0.1
621.43561	0.1
803.39227	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.9
61.98725	0.5
65.00216	1.1
67.01769	2.7
68.99714	0.8
69.03336	3.1
71.01271	2.8
71.17715	0.5
71.59352	0.5
71.59779	0.6
72.99213	1.0
76.25690	0.5
79.01784	1.8
81.03365	1.5
83.01279	1.9
85.02866	0.9
86.42916	0.4
87.00770	1.0
89.02333	0.6
92.06257	0.4
93.03358	1.5
95.01287	10.9
96.01608	0.5
96.95904	1.4
97.02868	3.9
99.00803	0.6
101.02368	1.2
105.03361	0.6
107.00620	1.0
107.01299	12.6
107.02031	0.7
107.04919	0.5
109.02860	2.3
110.00001	0.6
111.00790	5.0
113.02345	0.6
114.23021	0.5
117.03384	0.9
119.04951	1.2
121.02877	1.0
121.03712	0.5
123.00803	34.5
123.04435	1.4
124.01640	3.6
125.02370	100.0
126.02702	3.0
127.00326	2.3
131.81853	0.5
133.02873	1.0
135.04466	1.0
136.98737	2.9
137.02403	2.2
139.00308	7.4
140.01085	7.2
141.01924	3.5
145.02858	1.9
147.00688	0.6
147.04425	1.4
149.02365	1.3
150.03128	1.0
151.00296	6.2
151.03990	1.8
153.01862	2.4
159.04436	1.2
160.01573	0.6
161.02417	3.3
163.00276	0.8
163.03951	2.5
164.01108	0.7
165.01880	2.6
166.99803	8.6
167.03459	0.8
168.00597	11.6
169.01384	94.7
170.01717	3.1
173.04567	1.0
175.03915	1.7
177.01906	2.1
178.02617	0.9
179.03447	1.1
180.04228	1.0
181.01428	1.2
185.02454	0.6
185.11728	1.0
187.04031	0.8
189.01942	0.9
190.02698	1.5
191.03400	1.2
193.01402	1.6
193.05029	1.2
195.06567	0.8
203.03534	1.3
205.01468	1.0
205.05023	1.3
207.03012	1.4
209.00900	0.7
211.02487	6.5
221.00735	0.5
229.01497	0.6
237.03912	0.7
241.03539	0.8
247.02541	0.6
249.04007	0.7
255.02968	0.7
275.01563	0.8
276.02350	0.6
277.03015	0.8
283.02371	0.6
284.03204	0.9
285.03714	0.5
286.04123	0.6
289.07214	1.3
295.04483	1.1
297.06406	0.7
299.99255	0.7
300.99921	6.3
301.03040	0.9
302.00204	2.3
303.00439	2.4
304.00812	0.9
313.05756	1.0
325.09311	0.5
329.16229	0.8
347.17120	1.5
463.16315	2.0
465.06940	0.8
465.17746	3.8
466.18045	0.7
481.17230	11.0
482.17703	1.6
496.86386	0.6
499.18396	13.3
500.18683	1.3
633.18365	14.3
634.18671	2.2
651.19458	29.5
652.19910	4.7
803.20471	86.9
804.20935	16.6
804.35718	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.1
59.01264	0.2
59.39610	0.1
61.98718	100.0
62.98431	0.2
71.01285	0.2
73.92727	0.1
75.00771	0.1
78.95810	0.2
79.95644	0.1
80.96427	0.3
88.49004	0.1
89.02347	0.1
125.02344	0.4
126.10014	0.1
126.34433	0.1
137.02333	0.1
140.19760	0.1
151.03918	0.2
160.52299	0.1
161.02425	0.1
170.04181	0.1
171.10165	0.1
193.01813	0.1
197.11926	0.1
209.11827	0.2
210.12184	0.1
211.13483	0.3
225.00798	0.1
231.50049	0.1
289.07242	0.2
293.21118	0.1
578.49945	0.1
803.39124	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98716	100.0
62.98413	0.2
66.90364	0.1
70.38883	0.1
71.01284	0.1
77.14118	0.1
78.95784	0.1
80.96420	0.1
97.91590	0.1
98.19846	0.2
121.10056	0.1
122.58723	0.1
123.03929	0.1
207.10301	0.2
209.11838	0.5
210.12065	0.1
211.13495	0.1
253.09419	0.1
277.21777	0.7
278.22244	0.3
279.24033	0.1
306.78052	0.1
374.06845	0.1
627.92914	0.1
668.19861	0.1
802.43872	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	801.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	4.6
61.98720	100.0
66.21219	1.1
71.01271	3.1
71.60127	2.0
71.60502	1.4
72.84359	1.1
73.02824	1.2
75.66019	1.3
78.95808	1.5
81.03342	1.3
83.01305	1.2
83.04907	4.3
88.98714	1.8
89.02353	2.9
101.02358	2.1
101.39693	1.1
113.02348	3.7
125.02403	1.9
127.11254	1.3
141.62224	1.3
161.04538	1.3
163.11211	2.6
165.12793	1.6
171.10291	1.8
201.11307	35.7
202.11703	2.6
209.11832	83.7
210.12187	4.5
227.12880	11.1
235.08238	5.3
253.09337	14.0
277.21790	93.6
278.22076	10.8
385.74652	1.2
437.20425	3.2
445.20868	3.1
513.30823	3.8
697.42590	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	802.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.1
61.98719	100.0
62.98426	0.2
70.89875	0.1
70.90220	0.1
71.01279	0.1
78.91785	0.1
78.95817	0.1
79.95617	0.5
80.96410	0.4
94.97991	0.1
109.06490	0.1
151.57130	0.1
207.10286	0.1
209.11934	0.3
210.12135	0.1
211.13356	0.1
225.00800	0.2
225.11343	0.1
228.13455	0.1
264.27905	0.1
277.21793	0.4
278.22266	0.1
305.54410	0.1
346.65167	0.1
542.12610	0.1
785.38110	0.1
803.39648	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01032	0.6
59.01268	6.4
68.50683	0.6
71.59292	0.7
75.52395	0.6
85.02816	1.2
89.13846	0.7
95.01243	0.7
109.02841	0.7
113.02357	1.1
117.03348	0.7
123.00752	1.0
125.02367	3.7
128.20772	0.6
137.02382	5.1
139.03935	0.7
149.02379	0.7
151.00310	6.7
151.03917	0.8
152.00827	0.9
152.04694	1.3
154.02655	0.6
161.02370	1.4
161.04463	1.2
163.03915	0.7
165.01857	1.0
166.02669	32.4
167.03316	2.0
169.01360	2.9
173.02409	0.9
175.02516	0.6
175.03976	1.1
177.01868	1.4
179.03436	0.7
181.05028	57.8
182.05385	2.6
184.68422	0.5
191.03468	0.9
201.01921	0.7
203.03452	0.7
205.08742	1.3
208.40349	0.6
212.79106	0.6
217.01434	0.9
229.01376	1.1
243.03055	1.2
245.00934	2.0
247.02673	1.3
257.01038	1.0
270.99005	0.8
273.00589	3.0
275.02020	3.1
289.07111	1.2
298.98544	1.0
300.99966	11.1
302.00320	1.0
316.99460	10.8
317.99570	0.7
359.11511	1.3
387.10898	7.2
402.13300	8.9
403.13599	1.3
417.15625	100.0
418.15933	10.9
429.54156	0.9
579.20764	2.8
615.06067	0.9
633.07343	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	800.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.3
61.98718	100.0
66.91680	0.1
71.01279	0.2
71.28015	0.2
71.28339	0.3
73.02794	0.1
96.55736	0.1
96.95921	0.2
109.02885	0.2
123.04478	0.2
125.02379	0.7
151.03983	0.3
166.99995	0.1
169.01489	0.2
179.53082	0.2
185.11871	0.2
197.11938	0.5
209.11909	0.5
210.12219	0.2
211.13452	1.3
212.13783	0.4
213.11508	0.2
253.09392	0.2
289.07407	0.4
291.19897	0.4
292.20258	0.2
293.20877	0.3
309.20929	0.5
310.21173	0.2
417.05054	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.2
71.61239	0.7
71.61674	1.4
85.02811	1.6
95.01279	2.5
98.90590	1.1
101.65223	0.9
103.60220	0.9
107.01324	0.9
111.00784	3.3
119.04915	1.2
123.00770	6.3
125.02377	15.2
126.02640	0.9
133.02876	1.4
137.02367	1.9
139.00301	3.8
140.01096	0.9
145.02907	3.3
147.04485	1.0
149.02419	1.2
151.00322	0.9
157.02913	1.1
159.04482	1.5
161.02373	4.6
163.00291	1.6
163.03941	3.0
165.01895	1.9
166.02606	3.7
166.99831	6.0
169.01395	15.5
173.02371	4.1
175.03928	2.4
177.01918	3.5
181.05046	6.1
182.99347	1.4
185.00940	1.4
185.02470	2.6
187.03998	1.2
189.01888	5.1
191.03532	1.8
193.01360	1.2
201.01909	4.0
203.03468	2.6
205.01419	3.4
211.02370	1.0
217.01410	4.5
219.03017	1.4
226.99843	1.3
229.01390	6.8
230.02118	2.0
231.02959	4.5
233.00949	1.6
242.99417	2.2
243.99963	1.3
245.00957	10.1
246.01234	1.4
247.02475	6.8
247.79774	1.0
248.03227	2.5
249.04070	7.1
251.45924	1.0
257.00909	5.4
258.01773	1.6
261.00403	2.7
270.98892	3.7
273.00491	14.6
274.00977	2.3
275.02042	22.0
276.02237	2.0
283.99716	1.2
289.07117	1.5
291.01694	2.2
298.98404	4.9
299.01468	1.1
299.99112	4.3
300.99982	89.7
302.00397	6.5
315.98465	1.9
316.99460	100.0
317.99878	8.3
331.06586	1.4
402.13519	1.0
417.15674	9.9
419.06094	1.3
445.04312	1.3
463.05325	2.8
465.06812	1.9
483.07944	1.6
505.86935	1.2
506.59689	1.0
597.05511	2.8
615.06659	4.9
631.06506	1.6
633.07489	29.7
634.07703	4.2
635.08728	1.6
649.06952	3.3
765.05414	1.4
783.07062	3.4
784.07184	1.1
801.07361	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	800.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.1
61.98719	100.0
68.10121	0.1
69.03751	0.1
71.01277	0.3
71.40659	0.1
75.00765	0.2
77.20411	0.1
77.24927	0.1
91.54710	0.1
93.03436	0.1
107.44939	0.1
115.87997	0.1
123.13223	0.1
125.02380	0.5
151.03938	0.2
158.64755	0.1
169.01402	0.3
192.26888	0.2
209.11830	0.9
210.12187	0.5
211.13484	0.4
212.13834	0.3
227.12993	0.2
253.09325	0.3
289.07416	0.2
291.19690	0.3
292.20038	0.2
293.21298	0.5
294.21545	0.2
309.20840	0.3
329.06812	0.2
494.50485	0.1
508.00839	0.1
584.74573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	17.5
60.20375	0.3
64.98383	0.3
69.03350	0.3
71.01267	2.4
71.22480	0.5
72.99201	0.4
73.02853	0.4
78.95799	0.3
79.95630	0.5
80.96417	2.5
82.96012	0.6
83.04926	0.4
85.02849	0.6
85.20457	0.3
87.00753	0.6
89.02347	1.2
89.64714	0.3
91.70140	0.2
94.97996	0.6
100.52885	0.3
101.02332	2.5
113.02364	1.1
119.03439	0.5
123.95262	0.2
125.02341	0.2
143.03435	0.3
148.99068	0.3
161.04532	0.9
164.98564	0.6
167.10745	0.3
167.14371	0.5
179.05569	0.8
183.13882	5.2
184.14273	0.3
193.12303	1.6
211.13388	100.0
212.13730	5.6
212.15633	0.5
225.00803	0.9
235.08253	3.0
246.25089	0.3
253.09328	6.2
254.09792	0.3
259.20480	0.3
277.21780	72.0
278.22137	6.4
278.24869	0.2
338.09933	0.3
388.44604	0.3
426.64011	0.3
429.21344	1.9
447.22415	8.6
448.22733	1.0
513.30664	1.6
655.94940	0.3
707.43738	1.1
709.38080	0.6
710.39661	0.3
781.40869	0.4
799.43359	2.9
800.43146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.3
59.01263	5.0
61.98717	11.6
71.01260	4.3
71.58589	2.5
81.97414	1.2
83.04910	4.0
85.02819	1.6
89.02344	3.7
93.03374	1.4
96.95900	2.5
101.02337	2.9
113.02375	1.8
125.02354	7.8
137.02362	2.8
151.03949	1.4
161.04500	2.6
163.11163	3.1
165.12785	1.7
169.01381	5.0
171.10280	3.0
179.14410	1.4
191.10548	1.5
195.13872	5.3
209.11826	100.0
210.12193	5.1
211.13388	6.9
223.13335	4.8
227.12900	14.8
228.13449	1.6
235.08252	2.2
253.09296	21.5
254.09782	1.7
256.13309	1.3
275.20251	10.6
289.07022	1.6
291.19659	3.5
293.21295	95.9
294.21548	9.3
309.20718	1.7
348.55176	1.3
445.21170	2.6
515.16180	1.6
529.30231	3.7
693.81873	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	798.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.4
61.98718	100.0
68.47151	0.1
71.01267	0.3
71.61657	0.2
72.99220	0.1
87.00773	0.1
88.98723	0.5
96.95892	0.1
113.02384	0.1
123.04436	0.1
125.02375	0.6
137.02423	0.2
139.35277	0.1
145.02936	0.2
163.02682	0.1
163.04024	0.1
169.01437	0.2
175.03877	0.1
175.26007	0.1
211.13399	0.1
289.07465	0.2
301.00095	0.2
798.40497	0.1
799.38788	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.2
65.00217	0.2
67.01782	0.1
69.03337	0.5
69.34299	1.2
71.01273	0.2
76.94420	0.1
83.01290	0.2
85.02850	0.3
89.33936	0.1
93.03359	0.3
95.01283	1.5
97.02843	0.2
98.20525	0.2
101.02431	0.1
101.03871	0.2
105.03374	0.1
107.01324	0.3
107.04935	0.1
109.02882	0.4
111.00057	0.1
111.00744	0.2
117.03388	0.6
119.04954	0.3
121.02908	0.3
123.00799	3.4
123.04438	0.2
124.01595	0.4
125.02371	4.5
126.02692	0.2
129.03421	0.4
131.04970	0.4
133.02895	0.6
135.04453	0.4
137.02380	0.4
139.00314	0.4
139.11214	0.2
141.03462	0.2
143.04968	0.2
145.02904	2.2
146.03546	0.2
147.00854	0.1
147.04449	1.4
149.02376	0.5
151.00331	0.5
151.03938	0.3
157.02884	1.0
158.03720	0.2
159.04488	1.3
161.02382	1.2
162.03189	0.1
163.00323	0.3
163.03952	1.4
164.01094	0.4
164.04741	0.6
165.01877	0.4
166.99854	0.3
168.00604	0.2
169.01395	3.0
172.01578	0.1
173.02394	2.9
174.03040	0.4
175.03973	2.0
177.01880	1.1
177.05450	0.2
183.10275	0.3
185.02411	3.1
186.02841	0.3
187.03987	0.5
188.01082	0.3
189.01909	1.6
190.02690	0.9
191.03479	2.4
192.04160	0.3
193.01395	0.3
199.00349	0.2
201.01920	4.4
202.02571	0.6
203.03513	3.3
204.03951	0.3
205.01422	0.5
205.04987	0.2
207.02888	0.2
209.00948	0.2
211.02420	0.2
211.04179	0.1
213.01936	0.9
214.02596	0.3
215.03506	0.2
216.00719	0.3
217.01425	2.0
218.02089	0.5
219.02908	1.0
220.03496	0.1
221.04509	0.2
225.05577	0.2
226.99849	0.5
227.03473	0.2
227.07018	0.1
228.00644	0.3
229.01454	8.4
230.01993	1.0
231.03000	3.2
231.04919	0.1
232.03506	0.2
233.00871	0.2
233.17874	0.1
237.05560	0.2
239.03455	0.2
240.00847	0.2
242.99303	0.2
243.03189	0.3
244.00235	0.2
245.00957	4.6
246.01443	0.5
247.02478	1.9
248.03275	3.7
249.04080	4.5
250.04517	0.2
253.05310	0.2
254.99429	0.3
255.06760	0.2
257.00961	5.2
258.01620	1.4
259.02396	0.3
267.02853	0.2
270.99008	0.2
271.99841	0.1
273.00485	2.6
274.01248	1.7
275.02042	10.2
276.02347	0.7
279.03275	0.2
281.04752	0.2
283.99728	3.0
285.00262	0.4
285.03741	0.2
287.02261	0.2
289.06931	0.2
290.00720	0.3
291.01508	1.9
293.04889	0.2
295.02432	0.2
297.00952	0.2
299.02228	0.2
299.99188	4.0
300.99963	100.0
302.00302	6.6
311.01904	0.2
313.03375	0.2
314.00702	0.1
463.05109	0.3
615.06580	0.4
629.15149	1.3
630.15698	0.1
642.87256	0.1
735.57373	0.1
799.17474	41.1
800.17767	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	795.455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35399	0.6
57.03341	1.3
59.01263	13.5
69.03342	1.9
70.12782	2.6
71.01266	5.6
71.04903	1.1
73.02831	0.6
75.79306	0.6
78.95792	1.0
83.04907	1.4
85.02852	1.5
87.00803	0.8
89.02329	2.8
95.04917	0.7
101.02348	3.1
109.06538	0.8
113.02357	2.1
119.03440	0.6
125.02371	1.1
125.09666	0.8
145.05032	0.7
149.09683	0.9
161.04527	1.8
161.13382	0.7
167.10750	2.8
171.10228	2.3
177.12793	1.1
179.05559	0.8
179.10770	1.0
179.14430	3.4
195.13901	16.8
196.14278	1.0
199.09665	1.7
199.13666	0.7
201.11310	2.3
205.12292	8.8
209.11749	2.9
211.13297	0.8
223.13403	100.0
224.13728	5.8
225.11264	1.7
227.55612	0.6
228.13768	0.8
235.08214	4.9
253.09331	17.7
254.09589	1.1
256.13184	0.7
275.20184	4.7
277.21750	5.9
278.21909	1.0
292.03171	0.6
293.21295	77.9
294.21634	6.2
356.83194	0.6
441.21436	1.1
459.22498	15.1
460.22681	2.0
499.34695	1.0
511.29367	0.8
529.30121	3.0
735.44080	4.3
736.44434	1.1
786.89215	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98719	27.3
69.99343	5.4
74.33298	6.0
78.95806	13.6
80.96405	8.0
116.92790	8.1
140.47285	5.9
147.95047	6.1
200.98633	6.1
209.11842	100.0
227.12872	15.4
253.09299	8.6
277.21741	91.2
278.22159	9.0
302.21286	5.9
492.40628	7.1
648.82770	6.6
791.43170	30.6
808.18451	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	793.4432
Annotation	A 77003
Peak:m/z	Relative Intensity
55.91612	0.6
63.96102	0.7
70.93162	1.7
71.01274	4.9
73.02828	1.1
78.98478	4.8
79.95632	8.8
80.96410	55.2
85.02846	1.9
87.00761	2.1
94.97990	10.9
96.95901	1.2
97.02836	1.0
101.02348	1.9
106.97982	2.8
122.97488	3.4
125.02336	3.0
127.03952	1.0
134.97536	4.5
136.99052	1.3
144.21471	0.6
147.68880	0.6
148.99083	5.5
152.98578	5.5
164.98576	11.5
183.79781	0.6
196.89453	0.7
206.99597	3.1
209.11842	1.3
225.00749	22.6
226.01001	0.8
283.26465	1.5
309.17142	0.6
440.89243	0.7
449.87570	0.7
471.96750	0.6
505.48877	0.6
509.17331	3.0
510.16745	0.7
565.30670	1.2
668.87085	0.7
746.31146	0.6
793.44305	100.0
794.44653	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	10.8
59.01260	7.6
61.98702	3.6
69.03321	1.0
69.54195	2.7
69.54598	7.0
70.03054	1.2
71.01262	9.4
73.02858	1.9
81.03344	3.9
83.01279	8.6
85.02843	3.7
89.02343	3.7
93.03355	2.7
95.04935	2.9
96.95907	5.8
97.02841	4.8
99.00698	1.1
101.02348	4.3
107.04927	1.5
109.02885	17.0
110.75027	1.1
113.02319	2.9
116.92757	4.4
117.03374	2.1
119.03386	1.4
121.02885	4.0
123.00810	2.2
123.04456	10.4
125.02372	77.3
126.02733	2.4
127.24334	1.4
131.04968	1.2
135.04410	2.6
135.16943	1.2
137.02379	30.0
138.02705	1.3
138.26822	1.4
139.03911	3.5
145.02898	21.8
146.03572	2.6
149.02373	12.5
150.03128	4.4
151.03947	8.3
158.96085	1.0
159.04485	7.2
161.02368	4.0
161.06020	8.9
163.03940	2.6
164.01132	3.6
165.01799	6.5
167.03404	2.1
167.39633	1.1
169.01376	6.6
171.10162	1.3
175.02472	1.5
175.03952	2.0
175.07600	2.4
177.01953	2.3
179.03447	6.2
185.06047	5.5
187.03949	9.8
188.04723	2.4
191.03271	2.2
195.06555	2.1
197.25653	1.2
199.13387	1.8
201.05534	2.1
201.11244	2.5
202.06244	2.0
203.07132	12.4
205.05061	7.9
209.06087	1.9
209.11806	4.6
211.13530	1.7
212.04832	1.2
221.08237	1.9
225.07646	1.6
227.07092	5.1
229.05202	1.7
245.08206	20.1
253.05162	6.7
253.09171	2.5
269.04626	1.9
271.06180	58.4
272.06442	4.5
285.95175	1.2
289.07254	94.4
290.07629	7.0
300.99924	3.8
309.24298	2.6
325.78259	1.3
327.21741	2.9
327.25400	9.5
339.25470	6.3
357.26550	95.3
358.26987	10.6
433.11359	5.3
451.12524	11.2
479.30267	10.4
480.30603	3.1
519.31866	100.0
520.32147	12.5
629.33496	17.0
630.33710	3.5
641.35431	7.0
653.35632	1.6
747.39758	1.9
791.38318	10.8
792.38757	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	791.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	1.4
65.00195	0.5
67.01775	0.9
69.03355	0.9
71.01275	4.9
73.02843	0.7
79.01788	0.8
81.64931	0.4
81.79486	0.4
83.01274	0.9
85.02856	1.5
86.87387	0.4
88.80922	0.5
90.52931	0.4
93.03388	0.8
95.01299	1.2
97.02834	1.0
101.02364	1.4
107.01302	8.1
109.02864	0.6
111.00796	1.7
113.02380	1.5
117.03376	0.7
119.04945	24.2
120.05263	1.0
123.00801	9.2
123.04423	0.5
124.01634	1.0
125.02371	58.0
126.02695	1.7
127.00356	0.5
133.06500	0.6
136.98720	0.6
137.02383	0.8
139.00319	3.1
139.03983	0.7
140.01085	2.5
141.01883	1.4
145.02867	2.2
151.00310	8.4
153.01933	0.7
163.03963	14.7
164.04301	1.1
165.01884	0.7
166.99870	1.0
167.03462	0.4
168.00601	4.2
169.01382	81.2
170.01765	3.0
179.03432	0.6
208.15280	0.5
211.02486	6.2
223.02429	0.5
228.01161	0.4
241.03615	2.6
253.03618	0.6
271.04620	5.1
299.01825	0.7
301.00015	0.8
313.05725	62.6
314.06134	4.1
331.06879	0.6
433.11548	0.6
449.23621	0.5
463.08911	0.5
465.06787	0.9
477.10492	100.0
478.10858	10.2
508.09888	0.5
557.06757	0.5
627.12616	0.5
639.15851	4.6
640.16071	0.9
791.16937	16.6
792.17499	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	789.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	2.3
58.24284	0.9
59.01270	12.3
61.98730	8.9
66.35025	0.8
71.01273	38.5
71.58256	1.8
72.01587	1.3
72.99209	1.3
73.02834	6.1
78.95798	2.1
79.95623	1.1
80.02545	2.2
81.03364	2.9
83.01280	1.7
83.04924	6.2
85.02847	7.5
87.00764	3.1
89.02339	7.8
93.03389	2.0
95.01304	1.5
95.04928	2.6
96.95918	34.5
96.96869	2.4
97.02851	2.1
97.06495	2.8
98.95514	2.0
99.00792	2.7
99.92488	1.0
101.02356	9.4
109.02873	2.2
109.06482	5.1
111.04515	1.2
113.02373	5.4
115.08592	1.1
116.92764	12.2
117.01832	3.1
117.92787	1.3
119.03426	1.2
125.02383	6.2
125.09619	2.5
127.11205	2.9
133.04990	1.2
135.08067	1.3
137.02361	1.9
145.02898	1.6
145.04962	1.0
149.09669	1.1
151.03937	1.3
155.10718	1.7
161.02299	1.3
161.04475	3.7
163.11241	11.0
164.01160	1.0
165.12782	3.8
169.01349	2.8
171.10234	58.5
172.10544	2.3
181.12308	3.3
183.13873	2.5
185.11775	4.5
189.09116	2.1
191.10793	1.4
193.12268	1.2
197.11852	2.7
201.11317	15.9
202.11664	1.6
207.10283	16.6
209.11826	100.0
210.12190	5.8
211.13397	16.7
212.13658	1.1
215.12886	2.1
221.11830	1.7
225.11339	36.6
226.11626	1.8
227.12863	11.9
229.14438	9.7
235.08267	10.2
239.12750	2.2
243.12401	2.8
247.20694	1.1
253.09343	28.5
254.09567	1.0
289.07370	2.1
291.19745	4.1
295.10419	1.5
300.99734	1.0
307.19122	2.7
309.20721	8.9
327.21851	82.7
328.22195	5.9
367.63910	1.3
375.27380	1.2
384.19125	0.9
407.19116	1.9
443.19052	2.1
461.20459	6.7
481.32172	2.2
545.30011	1.8
563.30798	3.6
771.41541	5.2
772.43079	1.5
789.42822	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	789.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01321	4.6
57.03326	4.3
59.01273	13.3
61.98722	26.5
64.56828	4.1
70.44024	4.5
71.01270	16.2
71.27448	6.6
71.27763	6.8
78.95786	19.3
80.14266	5.2
82.56496	4.7
84.41405	4.0
88.98701	18.3
96.95918	44.4
101.02406	5.9
105.03313	4.2
123.86459	4.8
125.02354	14.1
130.41512	4.7
133.20558	4.8
147.02888	4.6
152.99503	7.6
163.11244	7.4
165.01869	5.2
197.11842	5.7
207.10265	10.0
209.11804	100.0
211.13339	9.3
225.11339	8.4
227.12961	29.7
235.08200	6.5
245.19145	6.1
253.09325	21.6
289.18243	47.7
307.19186	55.3
309.20810	16.5
316.60269	5.2
324.95935	5.1
415.21768	5.5
452.49268	5.6
551.90649	5.3
753.40912	7.0
789.38629	73.4
790.38416	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	789.227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.3
57.45361	0.2
59.00998	0.2
59.01269	2.8
65.00217	0.2
67.01771	0.8
69.03342	0.4
70.94704	0.2
71.01271	2.3
71.56678	0.3
71.57071	0.2
72.99207	0.5
73.02846	0.2
79.01782	0.6
81.03364	0.3
83.01275	0.5
85.02843	4.8
87.00776	1.4
89.02314	1.0
93.03366	2.3
95.01287	1.2
96.95917	0.4
96.99294	0.2
97.02846	0.3
99.00782	0.3
99.04418	0.2
101.02341	1.1
107.01309	1.8
108.01647	0.2
109.02858	0.6
109.99978	0.3
111.00779	1.5
111.04417	0.7
113.02336	0.9
117.03362	0.2
119.03397	0.4
119.04930	1.6
123.00801	9.0
123.04399	0.2
124.01643	0.5
125.02369	11.3
126.02679	0.8
127.00278	0.5
127.03107	0.2
127.03895	1.0
135.04356	0.2
136.98723	0.9
137.02388	0.6
137.06003	0.6
139.00308	2.7
140.01083	2.3
141.01886	1.4
143.03397	0.2
145.02837	0.8
151.00319	7.2
151.03911	0.3
152.00742	0.4
153.01897	0.7
154.99809	0.3
155.03302	0.2
161.02365	0.2
163.03925	1.4
165.01927	0.3
165.05661	0.2
167.03487	0.2
168.00610	2.7
169.01378	13.1
170.01686	1.0
171.02995	0.3
173.04529	1.3
179.03462	0.2
181.05035	0.4
191.05583	80.7
192.05905	2.8
208.13234	0.2
209.04587	0.2
211.02486	2.3
253.03517	0.3
271.04645	2.4
272.22318	0.1
313.05710	1.2
337.09354	24.6
338.09705	2.1
392.06476	0.2
451.12543	100.0
452.12897	10.2
501.73752	0.2
618.08099	0.4
619.08276	1.0
637.09344	0.3
789.09924	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.5
57.03342	0.8
59.01268	4.5
61.98720	7.3
65.79360	0.2
68.55323	0.3
69.03345	1.1
69.40309	2.1
71.01270	4.6
71.04892	0.3
72.99203	0.4
73.02842	1.4
78.95790	1.1
79.95624	0.4
80.02571	1.0
81.03354	1.2
83.01274	0.8
83.04919	5.0
84.02054	2.2
85.02821	1.3
87.00774	1.1
89.02332	3.1
95.01299	0.5
95.04943	1.3
96.95916	11.9
96.96833	1.4
97.02857	1.1
97.06488	5.4
98.20543	0.5
99.00798	0.4
99.04427	0.6
101.02346	4.2
101.32522	0.3
109.02835	0.5
109.06504	1.0
111.04498	0.3
111.08067	0.5
112.36688	0.3
113.02379	2.5
116.92763	0.4
119.03401	0.9
123.08113	0.4
125.02397	1.3
125.05982	0.8
125.09658	1.3
127.11206	0.7
128.90059	0.3
133.05028	0.3
135.08119	1.3
137.09647	1.0
137.19191	0.3
143.03484	0.7
145.04984	0.6
147.11708	0.3
151.11234	0.4
161.04492	1.8
163.11232	3.6
165.12775	2.8
169.01418	0.8
169.08707	0.5
171.10236	11.5
172.10521	0.4
175.11259	0.5
177.09079	0.3
177.12827	0.3
179.05556	0.6
181.12297	0.9
185.11771	0.6
191.10736	0.9
193.12320	6.1
197.11794	1.0
199.13310	0.5
201.11299	4.1
207.10246	1.3
209.11826	100.0
210.12169	5.8
211.13380	2.7
215.12906	0.3
221.11671	0.5
223.09900	0.4
225.11568	2.3
225.14972	9.2
226.15334	0.5
227.12904	11.8
228.13190	0.4
229.14539	0.3
235.08263	5.2
237.14999	0.4
238.12268	0.4
243.16045	4.4
253.09320	15.8
253.14577	0.8
254.09700	0.6
287.16708	0.4
289.07111	0.4
289.18457	0.3
291.19736	1.3
305.17621	0.9
305.21036	0.6
309.21317	0.3
323.18893	0.4
323.22348	1.1
325.20245	2.9
327.21951	0.7
335.52563	0.3
341.23404	59.7
342.23776	5.3
445.20963	2.2
446.21725	0.3
461.20468	0.6
463.21695	0.4
465.40771	0.3
533.34967	2.6
551.36212	0.5
577.32410	1.9
769.41785	0.3
787.41382	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.9
57.03345	2.4
59.01265	100.0
60.01591	1.3
61.98721	1.9
64.75307	0.5
65.03825	1.2
65.51774	0.4
67.05422	3.3
69.03351	1.4
70.72386	1.8
71.04903	1.2
73.02852	0.9
79.05437	1.0
80.02570	0.6
81.03342	1.1
83.04929	1.2
85.02853	1.7
93.03348	4.3
93.07002	1.2
95.04946	2.0
97.06513	0.8
104.35847	0.5
106.04134	1.3
107.04935	5.6
109.02874	7.0
109.06470	0.7
111.04427	2.6
111.08054	0.5
119.04969	1.1
119.08588	0.8
121.06493	1.9
121.10173	0.9
123.04466	1.8
123.08057	0.8
125.06027	1.6
133.02885	0.7
133.06529	2.4
135.04491	0.6
135.08096	1.2
137.06084	1.4
138.03136	1.0
139.07559	1.3
143.08646	0.6
145.10187	1.0
147.11736	78.0
148.05237	0.8
148.12074	4.4
149.06013	4.4
151.04048	0.5
151.07607	2.3
157.06485	1.0
159.04483	1.0
159.08122	1.0
159.11742	11.6
160.12029	1.0
161.06042	2.3
161.09685	1.5
161.13440	0.5
162.06833	0.7
163.07605	2.0
167.07088	3.4
171.08067	1.1
173.06055	1.7
173.09680	5.1
175.07587	4.5
175.11151	1.1
177.09209	0.9
179.07129	0.9
183.08131	1.5
184.08719	0.7
185.09709	5.9
187.07611	1.0
187.11266	0.8
188.08376	1.5
189.05588	0.8
189.09189	1.3
190.09839	0.7
191.10713	3.5
199.07588	1.2
200.08232	0.6
201.09229	1.4
201.16455	2.0
202.06412	0.6
203.07080	0.8
203.10738	3.9
209.09782	0.7
211.11369	1.2
213.09270	0.8
215.07152	1.1
215.10806	1.5
215.17984	0.9
216.07785	0.9
217.08603	0.7
219.10239	0.9
221.09732	0.8
225.09166	1.0
225.12898	1.4
227.10786	1.6
229.12427	0.8
231.10301	4.3
233.11847	15.0
233.14056	1.1
235.11348	0.8
237.09216	1.9
237.12834	1.0
239.10823	4.5
240.11459	0.7
241.12364	0.7
251.10835	1.2
251.14497	1.5
252.11572	0.7
253.09174	0.6
253.12376	1.5
255.10133	1.1
257.11963	1.4
263.10828	1.1
263.14615	0.8
265.08914	0.6
265.12427	2.1
267.13962	2.0
269.15594	1.0
270.83154	0.6
277.12317	4.0
278.13055	0.7
279.10504	0.7
279.13834	1.2
280.11090	1.9
281.15506	0.7
283.13513	3.3
284.13614	0.7
285.15146	0.9
287.16516	1.0
293.22919	1.3
295.13474	14.4
295.24365	39.0
296.13870	1.3
296.24734	4.8
297.14914	1.2
298.12131	0.7
299.10678	0.6
301.14572	1.5
307.13446	6.6
308.14136	1.2
313.14514	19.7
314.14957	1.9
315.16125	0.6
321.22299	15.6
322.22614	1.8
325.14532	9.1
326.14975	1.5
331.15512	6.9
332.16132	0.9
339.23325	28.8
340.23758	3.4
343.15561	9.8
344.15784	0.7
347.20377	0.8
356.75226	0.6
361.16644	7.0
362.17102	0.9
365.21304	5.7
383.22372	11.6
384.22653	1.5
425.24893	0.8
455.26114	1.1
487.24759	0.7
517.26276	0.9
535.27228	1.0
573.37219	1.3
591.37994	0.6
617.36249	1.9
618.35651	0.8
629.36090	0.7
635.37793	2.2
636.38373	0.6
647.37634	1.1
665.38837	0.8
709.37177	1.2
727.38318	5.5
728.39124	1.8
790.54102	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.7
59.01262	3.1
59.16316	0.6
61.98719	38.6
63.96144	1.7
69.03348	1.2
69.08835	0.8
69.97893	1.4
69.98299	3.3
71.01272	11.9
73.02829	1.4
73.07461	0.8
78.95778	4.1
78.98496	9.5
79.95628	16.1
80.96410	99.3
81.03334	1.1
85.02841	3.5
87.00769	3.6
87.04449	0.8
88.98699	1.3
94.97987	21.9
94.98580	1.4
96.95916	2.6
97.02862	2.2
99.00782	1.5
101.02345	3.3
106.98018	3.6
113.02377	0.8
118.96229	0.9
120.42004	0.9
122.97490	4.2
125.02356	4.0
127.03967	0.9
134.97484	7.3
136.99048	1.5
146.97490	0.7
148.99088	7.5
152.98541	8.9
152.99576	1.1
161.04485	0.8
164.98581	17.2
203.88010	0.8
206.99615	4.7
209.11809	3.6
225.00743	26.5
238.21930	0.8
250.09966	0.7
277.21884	3.5
279.23364	0.9
484.33777	1.0
509.17072	1.1
559.25891	1.4
605.32813	0.9
750.78748	1.0
787.39594	100.0
788.40125	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72461	0.1
59.01258	0.4
61.28334	0.1
61.98718	3.3
63.99131	0.1
71.01267	0.5
71.61531	0.1
78.95796	7.5
79.95628	3.0
80.96433	0.1
83.01281	0.1
87.00768	0.1
88.98643	0.1
89.02353	0.1
95.97491	0.1
96.95918	100.0
96.96818	9.1
97.95844	0.4
98.95570	0.1
101.02353	0.2
109.02879	0.1
113.02316	0.1
123.04478	0.2
125.02382	0.7
145.02875	0.2
149.02414	0.1
151.03952	0.1
163.00349	0.1
165.01892	0.1
169.01379	0.5
171.10237	0.3
197.11815	0.6
207.10330	0.2
209.11841	1.4
211.13449	0.1
225.11281	0.2
225.46980	0.1
249.21318	0.1
265.07584	0.1
289.07349	0.2
300.99994	0.3
376.24664	0.1
397.13638	0.2
787.41876	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	787.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.7
59.01254	1.6
60.74355	0.4
61.98708	3.3
62.16543	0.4
65.00217	1.3
67.01775	2.9
68.99708	1.3
69.03340	3.8
71.01286	3.3
71.61620	0.5
72.99221	0.9
73.02837	0.7
78.95798	0.6
79.01783	2.2
80.96452	0.6
81.03345	1.2
83.01282	1.2
85.02861	1.6
87.00774	1.5
93.03357	1.1
95.01289	10.3
96.95914	5.2
96.96839	0.8
96.99216	0.5
97.02847	2.8
99.00783	0.8
101.02364	0.8
107.01299	11.7
107.04937	0.6
109.02837	1.9
110.00014	0.7
111.00803	3.9
113.02373	0.9
115.00274	0.5
116.92748	1.1
117.03343	0.5
119.04966	1.1
121.02884	0.5
123.00803	31.9
123.04427	0.8
124.01681	2.9
125.02369	100.0
126.02705	3.2
127.00295	1.8
133.02882	0.5
135.04480	0.6
136.98734	2.7
137.02347	2.2
138.03094	0.5
139.00299	9.1
139.03954	0.5
140.01111	7.2
141.01895	3.1
144.14363	0.4
145.02878	1.6
147.04478	0.9
149.02367	0.8
149.05988	0.5
150.03123	0.6
151.00316	5.9
151.03954	1.5
153.01918	2.0
154.99797	0.7
159.04518	0.7
161.02379	2.5
161.06020	0.4
162.03070	0.5
163.00333	0.7
163.03970	1.7
164.01073	0.6
165.01840	1.1
166.99817	8.8
167.03477	0.9
168.00594	10.8
169.01379	93.8
170.01707	3.6
173.02402	0.5
175.02565	0.5
175.03973	1.5
177.01913	1.7
177.05614	0.6
178.02646	0.8
179.03429	1.0
181.01419	0.9
187.03998	0.7
189.01929	0.9
190.02606	0.5
191.03329	0.6
193.01352	0.8
193.05016	1.1
201.01923	0.4
203.03482	0.8
205.05151	0.9
207.03046	1.0
210.01659	0.4
211.02452	6.0
219.03067	0.4
227.03418	0.5
233.04570	0.5
237.04039	0.9
243.02882	0.4
245.00775	0.5
245.08292	0.5
249.04109	1.1
270.98685	0.4
274.01340	0.6
275.02036	0.9
277.73965	0.4
289.07193	1.5
295.04501	2.0
297.06458	0.5
300.99878	2.9
302.00330	0.6
312.99933	0.7
313.05765	1.7
350.95468	0.4
429.15518	0.4
447.16544	1.7
448.17288	0.6
449.18365	3.0
455.13522	1.5
465.17773	9.5
466.17908	1.3
483.18863	8.8
484.19330	1.9
617.09656	0.4
617.18866	14.4
618.19275	2.6
635.19897	21.0
636.20502	3.2
665.26398	0.6
781.03058	0.5
787.21045	91.7
788.21411	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	787.1022
Annotation	1,2,3,4-Tetragalloyl-alpha-D-glucose
Peak:m/z	Relative Intensity
55.01765	0.2
57.03342	0.3
59.01256	0.4
62.90093	0.2
64.22762	0.2
65.00208	0.5
67.01779	1.6
68.99709	0.5
69.03345	1.7
71.01270	2.1
71.61074	0.2
72.99202	0.6
79.01791	0.9
81.03355	1.2
83.01280	0.7
85.02836	1.3
87.00764	0.6
93.03346	0.5
95.01286	5.2
97.02855	2.2
99.00792	0.4
101.02362	0.9
107.01294	7.1
107.04906	0.3
109.02861	1.1
110.00013	0.3
111.00787	2.7
113.02345	1.8
119.04941	0.3
121.02891	0.6
123.00805	14.4
123.04442	0.7
124.01687	1.8
125.02367	80.8
126.02695	2.2
127.00304	0.7
131.04913	0.2
133.02861	0.4
135.04491	0.6
136.98732	1.2
137.02382	1.5
138.03148	0.3
139.00301	4.1
139.03972	0.4
140.01097	3.2
141.01884	1.6
143.03442	1.5
145.02881	0.6
147.00778	0.2
147.04477	0.4
149.02373	1.1
151.00328	3.6
151.03899	1.0
153.01868	0.8
154.99753	0.3
159.04453	0.5
161.02390	1.3
161.06006	0.3
162.03152	0.2
163.00273	0.7
163.03949	0.7
164.01093	0.5
165.01869	1.3
166.99799	4.5
167.03447	0.9
168.00603	6.3
169.01378	100.0
170.01718	3.9
173.02370	0.3
175.00255	0.2
175.02527	0.4
175.03955	1.0
175.34938	0.2
177.01930	1.3
177.05508	0.2
178.02415	0.2
179.03427	1.6
181.01414	0.9
187.03970	0.5
189.01892	0.4
190.02670	0.6
190.99773	0.3
191.03464	1.9
193.01395	4.0
193.05051	0.5
194.01633	0.2
195.02913	0.4
195.62343	0.2
201.01823	0.3
203.03458	0.7
204.04256	0.3
205.01434	1.4
205.05118	0.8
206.02122	0.2
207.03000	1.1
209.00964	0.3
211.02467	3.5
215.03435	0.6
219.02892	0.4
221.00887	0.4
221.04463	0.6
223.02512	1.1
229.01537	0.3
231.02959	0.2
233.04578	0.8
235.02499	1.2
237.04039	0.8
241.03532	0.6
247.02518	0.4
249.04071	0.6
251.05403	0.3
253.03548	0.6
257.00922	0.2
271.04700	0.6
275.01996	0.5
277.03571	1.1
278.04074	0.2
279.05136	0.8
289.07181	0.4
295.04651	4.3
297.06229	4.8
300.99985	3.9
302.00214	0.7
313.05728	10.0
314.06012	0.7
423.05841	0.5
423.54562	0.9
424.04562	0.4
429.54309	0.7
447.05966	1.3
448.06531	0.5
449.07294	3.9
465.06830	8.0
466.07333	1.0
510.55713	0.6
511.05243	0.4
531.33344	0.2
617.07965	91.6
618.08313	13.1
618.16138	0.2
619.08344	0.4
635.09039	2.9
636.08868	0.4
787.10004	3.9
788.10675	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	1.0
67.01778	1.6
68.99689	0.6
69.03329	1.4
70.71988	1.7
71.01273	2.0
79.01769	0.7
83.01269	0.9
85.02854	2.0
92.56474	0.6
93.03396	1.2
95.01284	4.6
96.95865	0.8
97.02859	2.1
98.31921	0.6
101.02364	1.1
103.95002	0.5
107.01290	7.2
109.02863	1.2
111.00778	3.0
113.02347	1.4
119.04978	0.7
121.02882	1.0
123.00806	13.5
123.04375	1.1
124.01577	2.2
125.02374	85.9
126.02728	2.7
127.00365	0.9
133.02798	0.6
136.98767	1.2
137.02377	2.0
138.03133	0.7
139.00304	3.7
140.01079	4.1
141.01900	1.6
146.65208	0.6
147.04457	0.7
149.02377	1.4
150.03091	0.8
151.00307	4.6
151.03947	1.2
153.01840	1.0
161.02431	1.7
163.03920	1.1
164.01199	0.5
165.01909	1.7
166.99832	4.2
167.03375	1.0
168.00613	5.1
169.01387	99.8
170.00377	0.7
170.01753	4.0
175.03976	2.1
177.01834	1.4
177.05617	0.8
179.03447	1.1
181.01430	0.9
183.03021	0.6
187.04024	1.0
189.01929	0.7
190.02644	0.6
191.03455	1.8
193.01431	4.6
195.02869	0.7
197.58044	0.6
203.03456	0.9
205.01395	1.2
205.05074	1.1
207.03046	1.0
209.00885	0.6
211.02498	5.2
215.03394	0.6
221.04666	0.8
223.02463	1.2
233.04584	0.7
235.02574	1.6
241.03607	1.2
243.03114	0.7
271.04694	1.0
275.01929	1.6
277.03558	0.8
279.05112	0.9
289.07278	2.3
295.04651	4.9
297.06198	3.5
301.00003	5.5
302.00308	2.6
303.00446	2.2
313.05740	10.3
447.05804	1.4
448.06213	0.7
449.07452	4.2
465.06799	18.3
466.07300	1.7
617.08002	100.0
618.08368	14.7
634.07690	1.3
635.08875	18.4
636.08838	2.4
723.46906	0.6
787.09686	8.3
788.10980	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	786.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	15.6
61.98718	14.8
63.14644	0.7
70.08685	1.6
70.09093	2.3
78.89368	0.8
78.95797	20.1
80.96432	1.2
83.04898	2.3
91.61411	0.8
91.94775	0.8
98.19934	1.4
98.20464	1.4
123.21656	0.8
125.02367	2.9
130.11705	0.8
141.48685	0.8
151.03906	0.9
152.99525	2.3
161.02298	1.2
163.11256	1.7
166.33560	0.8
168.04239	5.1
169.01335	0.9
171.10146	1.0
191.10696	0.8
209.11815	26.9
210.12199	2.3
224.06926	1.3
227.12920	5.4
241.14427	4.4
242.14732	1.0
277.21780	100.0
278.22134	10.2
289.07062	1.6
363.12750	1.1
401.27145	0.8
434.19736	1.2
452.20541	2.2
466.22107	1.1
516.52051	0.8
641.35449	1.3
695.00323	0.9
712.42078	64.9
713.42432	14.1
726.43536	7.2
727.39209	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78649	0.1
61.98717	100.0
62.98422	0.1
67.32077	0.1
70.48704	0.1
70.49091	0.1
71.01283	0.1
75.49738	0.1
80.96406	0.1
83.04954	0.1
92.52317	0.1
95.75240	0.1
101.02348	0.1
167.24551	0.1
209.11839	1.0
210.12195	0.7
211.12331	0.3
227.12921	0.1
228.13217	0.1
235.08325	0.1
255.10088	0.1
277.21762	1.2
278.22101	1.3
279.22430	0.8
280.22845	0.2
311.28094	0.1
336.25473	0.1
464.34985	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	786.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.1
61.98720	100.0
62.98419	0.1
62.99157	0.1
71.01323	0.1
71.07967	0.0
71.08294	0.1
78.98510	0.1
79.95640	0.1
80.96409	0.8
83.04922	0.1
87.00790	0.0
89.27132	0.0
94.98004	0.2
95.65330	0.0
101.02351	0.1
125.02369	0.0
134.97488	0.0
148.99078	0.0
152.98584	0.1
161.04555	0.0
164.98589	0.1
204.16354	0.0
206.57498	0.0
209.11836	0.9
210.12187	0.6
211.12286	0.3
212.12817	0.1
225.00743	0.3
227.12976	0.1
228.13303	0.1
253.09334	0.1
254.09729	0.0
277.21808	0.4
278.22156	0.3
278.98798	0.0
279.22604	0.2
280.22778	0.1
312.51831	0.0
318.98315	0.0
420.07935	0.0
514.30054	0.0
559.26581	0.0
755.69104	0.1
787.39539	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00497	1.0
59.00987	1.3
59.01264	16.4
61.98418	1.3
61.98718	19.8
71.01270	19.1
71.52219	1.1
72.99181	1.2
73.02833	5.8
75.00751	0.9
78.95797	1.9
79.95643	1.2
80.04939	3.1
83.01277	3.9
84.24287	0.7
85.02848	8.9
87.00774	1.9
88.98708	1.6
89.02338	7.6
91.01743	0.8
92.04967	1.1
94.06530	0.9
95.01302	1.8
96.95926	5.1
99.00755	2.4
101.02348	6.8
104.04939	1.1
106.06550	6.7
107.03615	0.8
109.02824	1.3
111.00806	0.9
113.02364	5.7
119.03388	1.3
122.06053	6.4
123.00807	0.8
123.04532	1.1
125.02367	6.8
132.04483	5.7
134.06047	43.8
135.06371	2.0
137.02391	0.9
145.02878	1.7
148.07608	1.2
150.05519	1.0
152.07109	6.4
158.02412	2.7
160.04025	3.7
161.02463	1.0
161.04657	0.8
162.08701	0.7
163.03883	1.3
165.01910	0.8
167.03488	0.7
169.01385	2.3
176.03395	1.0
176.07159	0.9
177.01949	0.9
190.05072	7.2
192.06664	2.8
197.07092	1.3
207.10194	0.8
209.11906	1.2
213.10265	9.8
214.10640	1.1
221.10718	0.8
223.08757	1.1
225.10390	3.2
227.11871	1.6
239.11873	4.6
241.13460	1.8
247.08730	2.0
249.06842	1.4
249.10379	1.6
250.07542	1.0
251.08380	1.9
251.12013	2.1
253.09625	1.0
263.08383	1.8
265.09930	2.9
267.11398	9.6
277.09805	3.6
278.10492	1.1
279.11298	1.4
285.12473	5.0
289.07111	1.9
290.07211	1.1
293.09457	1.5
293.12949	1.3
295.11029	1.0
296.11533	1.1
297.12473	1.4
300.11816	1.1
300.99838	2.4
305.09415	4.2
307.11014	1.1
309.09027	0.9
309.12357	0.9
313.13434	1.6
314.12823	1.3
315.10208	1.7
316.14523	6.5
324.11258	1.7
326.12863	1.0
327.13440	5.9
328.10870	1.8
328.14484	2.3
329.99124	1.0
330.12643	1.0
337.11972	3.3
340.10971	1.5
340.14603	14.8
341.15109	2.2
342.12680	1.7
343.13223	1.4
344.13913	2.0
354.12482	1.9
356.14120	4.6
357.14526	2.3
358.15689	5.2
366.12466	1.9
368.10431	2.7
368.14136	2.4
369.11142	2.1
370.15720	2.6
372.13422	1.6
372.17676	1.0
380.10446	1.8
381.10834	1.0
382.11807	2.1
382.16260	1.8
383.12869	1.0
384.13266	8.5
384.16858	1.2
385.13470	1.3
394.11496	1.2
394.16013	1.4
396.13489	3.7
397.14172	3.4
398.15231	9.0
399.15573	1.8
400.16711	3.9
407.08487	1.1
410.15179	5.0
412.16629	5.7
413.17322	1.1
422.11539	1.4
423.11810	1.2
426.14633	4.4
438.14603	4.7
444.15836	2.4
456.16074	1.1
489.19266	2.1
491.20752	1.8
503.20868	1.8
504.21570	1.1
505.22644	1.7
509.99185	0.9
531.20074	1.6
545.21887	2.1
546.22797	0.9
573.21564	3.6
591.22705	3.9
592.22906	2.5
633.24286	0.9
685.29254	2.6
694.05676	1.0
711.26807	3.6
712.27435	3.0
713.28577	0.9
725.28857	2.5
753.27911	100.0
754.28253	25.5
785.30548	92.5
786.30853	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	785.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	1.3
61.98729	2.9
71.01257	0.5
75.61155	0.5
76.03082	0.4
76.24180	0.5
78.22686	0.4
108.90091	0.6
117.33720	0.5
120.02087	0.8
121.02878	100.0
122.03179	3.0
123.04420	0.6
125.02375	2.2
134.20564	0.5
137.02420	0.5
165.01898	2.3
180.05789	0.7
181.06616	2.0
191.03464	2.6
194.62456	0.5
197.11815	6.9
209.04555	67.8
210.04869	3.5
211.13515	0.7
225.05592	2.6
235.08240	0.7
242.86737	0.5
253.09337	0.8
276.55789	0.6
289.07312	1.2
291.19855	0.7
301.00085	0.7
309.20789	1.5
313.07312	4.7
357.06146	1.6
358.73572	0.5
401.08905	12.0
402.09256	0.8
421.32642	0.5
433.20978	0.6
469.11313	0.6
575.12238	0.8
698.72589	0.6
741.14471	0.7
785.16919	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03149	0.4
71.01263	0.6
71.45512	0.4
75.31935	0.3
95.01302	1.6
107.01323	1.8
111.00779	0.5
113.02345	0.7
115.16924	0.4
119.04964	0.6
123.00803	4.6
124.01590	1.0
125.02367	10.9
129.03397	0.5
131.04997	0.8
133.02843	0.7
137.02371	0.7
140.01118	0.4
145.02914	1.4
147.04469	1.7
149.02287	0.5
151.00343	1.0
157.02928	0.8
159.04478	1.7
161.02402	0.6
163.03972	1.2
164.01091	0.6
164.04501	0.4
165.01968	0.5
166.99760	0.5
168.00568	0.8
169.01369	9.2
173.02399	2.5
174.03145	0.6
175.03979	2.7
177.01897	1.7
178.02441	0.4
185.02408	2.4
186.02910	0.4
187.03954	1.1
189.01956	0.8
190.02750	1.2
191.03432	2.7
193.01416	0.5
201.01891	3.8
202.02684	0.6
203.03500	8.3
204.03868	0.5
213.01955	1.3
217.01440	1.7
219.02904	1.0
221.04579	0.5
226.99863	0.5
229.01448	8.8
230.02057	1.3
231.03000	9.4
240.79407	0.5
243.02840	0.6
244.00166	0.5
245.00934	4.6
246.01448	0.8
247.02501	2.7
248.03281	5.1
249.04065	15.2
250.04488	1.2
257.00943	7.1
258.01672	3.5
273.00507	4.6
274.01218	2.7
275.02032	43.1
276.02332	3.9
283.99658	2.1
291.01477	2.0
299.99155	3.1
300.99957	100.0
302.00299	8.5
313.05774	0.7
314.00763	0.5
329.03003	0.4
335.41446	0.4
369.39505	0.4
419.06235	1.1
428.36560	0.4
445.03458	0.5
463.05328	1.6
465.06747	0.8
589.08429	0.5
615.06018	1.5
629.72675	0.4
633.07465	14.9
634.08032	3.2
772.01849	0.5
785.08545	17.7
786.08881	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	784.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33382	0.1
57.03326	0.2
59.01265	0.4
60.73886	0.1
61.98720	100.0
69.24742	0.1
71.01287	0.3
75.00766	0.2
78.95790	0.3
87.00774	0.2
88.98724	0.3
89.02328	0.2
96.95908	0.7
109.02901	0.2
117.03405	0.5
119.04969	0.4
123.00837	0.2
125.02371	1.2
137.02390	0.2
145.02875	1.0
163.03984	0.4
165.01920	0.2
169.01401	0.6
171.10229	0.1
179.03386	0.2
179.92493	0.1
209.11691	0.2
275.02240	0.2
289.07291	0.3
301.00064	0.5
312.91354	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03353	1.1
59.01267	9.3
61.98706	5.1
63.03646	0.9
71.01276	3.6
71.27351	0.9
71.58552	1.1
78.95771	0.9
83.85571	0.9
87.00769	1.0
89.02368	1.9
96.95892	0.8
98.63242	0.9
101.02364	3.3
108.17460	0.8
113.02361	1.2
125.02370	2.9
161.04480	1.6
183.13921	5.5
193.12350	2.0
195.13907	6.3
209.11832	15.6
211.13399	100.0
212.13824	6.7
223.13399	2.5
227.13026	1.1
235.08176	5.0
253.09331	13.3
254.09700	1.4
275.20319	4.4
277.21790	7.8
278.22076	1.3
293.21317	62.4
294.21674	4.8
301.00049	1.4
447.22516	9.3
448.22754	1.6
511.29092	1.6
529.30090	1.8
629.59857	1.1
690.11371	1.3
752.49658	1.0
757.85101	1.0
783.42279	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01939	0.4
57.03333	0.5
57.03975	0.4
59.01263	11.5
61.98714	18.0
62.42238	0.3
63.97927	0.4
67.91463	0.4
69.03358	0.7
71.01269	4.1
73.02840	1.3
78.95810	2.7
78.98482	2.0
79.95636	3.6
80.96407	22.7
81.03340	0.8
82.95982	0.4
83.01282	0.5
83.04921	2.4
85.02840	1.6
89.02358	2.0
94.97978	4.7
95.04927	0.4
97.02844	0.8
98.20647	0.8
98.84725	0.5
101.02334	3.5
106.97963	1.1
109.06480	0.5
111.94683	0.5
113.02354	1.6
119.03434	0.6
119.44044	0.4
122.97460	1.2
125.02381	1.1
127.43597	0.4
134.97449	1.1
136.99101	0.8
141.12802	0.4
148.99109	2.3
152.98553	1.3
161.04485	1.6
163.11217	2.2
164.98598	3.8
165.12775	1.6
167.25171	0.5
181.22250	0.5
191.10742	0.8
199.13354	2.1
206.99538	0.7
207.10239	0.8
209.11815	69.5
210.12160	4.3
225.00734	6.8
225.11293	0.8
227.12897	11.7
228.13239	0.8
229.47795	0.7
235.08281	5.7
241.01149	0.6
253.09303	7.8
255.23325	1.0
277.21771	100.0
278.22144	10.7
445.21057	1.4
463.21902	0.7
513.30634	1.8
709.42834	1.0
723.43384	1.3
739.39661	1.1
740.39832	0.6
783.42206	29.9
784.42480	7.4
795.78735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.6
57.03343	1.1
59.01267	16.7
61.98714	0.5
68.09026	0.4
69.03349	0.7
71.01271	5.4
71.04902	0.4
71.20769	1.0
72.99209	0.5
73.02827	1.0
78.95798	3.3
78.98485	0.7
79.95636	1.2
80.96408	5.2
81.03360	0.7
83.01283	0.9
83.04921	0.7
85.02847	1.5
87.00764	0.9
89.02348	1.8
94.97971	1.0
95.01337	0.5
96.96869	0.8
97.02853	7.1
97.06470	1.1
99.00782	10.2
101.02344	2.4
109.06507	1.6
110.03672	0.9
113.02354	1.6
123.08071	0.5
125.02383	0.7
125.09648	2.6
134.97499	0.5
135.08090	0.9
136.05272	0.8
142.02638	2.6
148.99057	0.7
152.99551	0.8
155.14307	0.5
161.04523	0.8
163.11232	8.4
164.98615	1.0
179.10759	0.7
181.12308	17.2
182.12648	0.9
182.34357	0.4
189.09135	0.5
197.11803	1.1
199.13354	1.2
207.10257	51.4
208.10625	4.2
209.11842	2.8
225.00821	2.0
225.11331	100.0
226.11636	6.0
235.08318	1.3
235.78613	0.5
239.12856	0.7
241.01237	1.7
243.12399	11.5
244.12657	1.0
253.09384	2.2
255.23262	2.0
277.21790	87.5
278.22156	7.3
299.15073	1.3
317.16125	0.6
340.98569	0.5
373.95920	0.4
443.19345	4.4
461.20410	43.1
462.20715	4.3
490.29214	0.5
721.41803	29.9
722.42139	6.2
781.40955	10.8
782.41718	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	782.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61288	0.1
59.01269	0.2
59.46349	0.1
61.98718	100.0
62.98420	0.1
71.01296	0.2
71.58511	0.1
71.58900	0.1
71.76788	0.1
72.99181	0.1
75.00752	0.1
79.02554	0.1
85.02928	0.1
88.98716	0.4
96.95947	0.2
102.87238	0.1
109.02895	0.1
116.92738	0.1
116.94515	0.1
121.02859	0.1
123.00802	0.1
123.04417	0.2
125.02366	1.0
126.02740	0.2
137.02412	0.2
145.02827	0.1
151.03931	0.2
157.81522	0.1
161.02464	0.2
163.03954	0.1
165.01981	0.2
169.01355	0.8
175.03983	0.1
200.15451	0.1
201.01939	0.1
209.11842	0.4
210.12143	0.2
224.03004	0.1
273.17258	0.2
274.17654	0.1
289.07352	0.2
301.00012	0.2
422.07846	0.2
465.07040	0.2
783.38190	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.4
55.86236	0.2
57.03338	0.5
59.01265	11.8
59.07693	0.2
61.98714	0.3
69.03342	0.4
71.01271	3.3
71.04917	0.9
72.99217	0.3
73.02837	0.8
75.00776	0.3
77.87957	0.2
78.95794	7.6
78.98442	0.3
79.95629	0.7
80.02568	0.3
80.96411	4.8
81.03362	0.4
83.01284	0.5
83.04913	1.1
85.02842	1.1
87.00771	0.9
89.02334	1.3
94.97984	1.0
95.01268	0.3
95.04977	0.3
96.96867	1.6
97.02851	3.4
97.06503	0.7
99.00778	7.2
101.02341	2.8
106.79440	0.2
106.97985	0.3
109.06509	1.6
110.03651	0.9
113.02367	1.5
119.03405	0.5
123.08056	0.3
125.02368	0.9
125.09645	1.6
134.97519	0.5
135.08083	1.0
136.05214	0.4
136.99110	0.3
142.02676	1.7
145.04991	0.3
148.99062	0.4
152.98532	0.2
152.99583	1.7
161.04512	1.3
161.09666	0.5
163.11235	6.0
164.11479	0.5
164.98608	0.6
165.12811	0.3
179.05638	0.3
179.10683	0.5
181.12297	8.7
182.12697	0.4
189.09129	0.3
197.11870	0.3
199.13348	0.7
207.10249	27.4
208.10667	1.7
209.11810	6.9
210.12100	0.5
223.00101	0.4
225.00778	1.5
225.11325	51.0
226.11635	2.9
227.12907	0.3
233.22974	0.3
235.08218	3.3
241.01213	3.3
243.12408	5.8
244.12738	0.3
253.09308	3.4
253.21745	0.3
255.23346	4.4
256.23642	0.4
259.20743	0.5
267.12531	0.5
275.20087	0.4
277.21777	100.0
278.22141	8.5
299.15067	0.4
317.15948	0.3
405.17731	0.5
406.36011	0.2
420.05682	0.2
420.18774	0.2
441.33237	0.3
443.19257	4.8
444.19720	0.5
461.14365	0.4
461.20450	5.8
462.20633	0.5
513.30768	0.8
577.37170	0.4
721.41827	21.6
722.42267	4.3
781.41241	13.8
782.41870	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	781.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.3
59.01274	0.6
62.11761	0.4
69.50822	2.3
69.51237	0.6
71.01287	1.0
71.14580	0.3
73.02835	0.4
78.95797	44.9
78.98462	1.0
79.95629	7.9
80.02570	1.1
80.96415	9.8
81.03349	1.6
83.04924	4.3
84.02073	1.1
85.02838	0.6
87.00774	0.6
94.97989	1.4
95.04923	0.7
96.95891	0.6
96.96865	11.0
97.02855	0.4
102.42159	0.4
125.02393	0.5
134.97527	0.7
134.98492	0.7
139.37865	0.4
147.11786	0.5
148.99059	0.8
152.99553	10.4
163.11250	3.8
164.98558	1.6
165.12801	2.2
181.12338	0.7
191.10736	1.1
199.13316	0.5
206.99687	0.6
209.11830	46.4
210.12131	2.5
223.00130	3.6
225.00769	4.1
227.12892	3.7
241.01230	24.3
241.03154	0.3
242.01649	0.6
255.23352	25.4
256.23691	2.4
259.02228	1.6
263.45535	0.4
297.03824	1.1
315.05081	1.0
363.12375	1.5
364.56061	0.5
391.22610	1.4
425.14676	0.6
507.15472	0.5
525.17560	0.8
537.28046	0.7
553.28058	1.7
571.29614	0.4
592.17285	0.4
763.39435	4.4
764.39978	1.3
781.41541	100.0
782.41882	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	781.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98509	0.7
59.01261	0.7
67.01799	1.2
69.03345	2.2
71.01285	2.8
71.48119	0.5
71.61555	0.7
72.99184	0.7
79.01788	1.0
81.03351	0.8
83.01290	0.8
85.02848	2.0
87.00767	0.8
93.03367	1.0
95.01282	4.3
96.95919	1.5
97.02872	2.8
101.02341	0.8
107.01295	6.8
109.02888	1.3
109.99999	0.6
111.00784	2.5
113.02325	1.4
117.03385	2.8
119.04972	3.3
121.02908	0.9
123.00804	12.2
123.01675	0.9
123.04420	1.4
124.01563	1.5
125.02372	89.7
126.02712	3.1
127.00297	0.7
133.02910	0.7
135.04442	0.5
136.98798	1.4
137.02383	2.5
139.00320	3.6
139.03925	0.8
140.01123	2.9
141.01910	0.7
143.03435	0.9
145.02896	6.0
149.02379	1.6
150.03159	1.0
151.00357	2.6
151.03960	1.9
153.01842	0.6
159.04456	0.7
161.02423	3.1
163.00337	0.6
163.03964	3.6
164.04677	0.6
165.01880	2.2
165.05466	0.8
166.99820	3.2
167.03441	0.8
168.00594	6.8
169.01385	100.0
170.01709	3.7
173.02444	0.8
175.03972	1.9
177.01927	1.9
177.05582	0.5
179.03441	1.4
180.04228	0.6
181.01450	1.1
187.04016	1.4
189.01900	1.2
191.03467	1.4
193.01437	2.5
193.05148	0.7
195.06496	0.6
200.01012	0.5
203.03531	0.9
203.07050	0.5
205.01427	2.3
205.05019	0.9
207.03036	0.9
209.00890	0.8
211.02510	4.5
217.01506	1.8
219.02995	0.6
221.04408	0.6
233.04637	1.0
235.02477	0.7
237.04112	1.0
241.03435	0.6
241.75066	0.5
245.01062	0.5
247.02768	0.9
249.04008	0.7
272.05670	1.1
275.02039	1.4
277.03568	1.4
278.04163	0.7
289.07349	1.2
295.04700	3.4
300.99905	7.0
302.00250	1.7
313.05777	7.0
314.05997	0.7
321.84869	0.5
341.06604	0.6
441.15765	0.6
447.05652	2.3
449.07178	0.8
459.09113	1.5
465.06827	4.2
466.35129	0.5
567.11615	0.7
611.10431	6.4
612.10541	0.9
617.08075	11.2
618.08417	1.8
629.11511	7.9
630.12018	1.2
635.08795	1.7
763.22253	1.7
781.12756	45.8
782.12982	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	781.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47964	0.5
54.53336	0.5
57.74028	0.5
65.00224	0.6
67.01775	1.1
68.08154	0.5
68.99726	0.5
69.03352	1.9
71.01257	2.4
79.01783	1.4
81.03362	1.0
83.01289	0.9
83.74799	0.4
85.02848	1.4
87.00790	0.8
93.03364	0.6
95.01289	5.0
97.02881	2.5
99.75047	0.5
101.02344	0.9
107.01302	7.3
109.02856	0.8
111.00796	1.8
111.86855	0.5
113.02356	1.1
114.50213	0.6
117.03381	2.3
119.04942	1.2
121.02868	0.6
123.00809	13.7
124.01599	2.2
125.02372	77.6
126.02693	1.9
127.00291	1.1
130.76598	0.5
133.02859	0.8
135.04434	0.5
136.98726	1.5
137.02397	1.7
138.03110	0.5
139.00288	3.3
140.01108	3.2
141.01874	1.0
143.03448	1.2
145.02904	3.7
149.02394	1.5
151.00299	3.5
151.03893	0.8
159.04501	0.7
161.02370	1.6
163.03912	1.6
165.01828	1.6
166.99815	4.5
167.03488	0.7
168.00606	6.3
168.45708	0.5
169.01385	100.0
170.01694	3.6
173.02437	0.6
175.03853	0.7
177.01872	1.3
179.03438	2.8
181.01311	0.9
190.02605	0.9
191.03465	2.1
193.01407	3.2
203.03378	0.6
205.01437	1.5
205.05107	0.6
207.02972	1.1
211.02478	4.3
221.01007	1.0
221.04568	1.9
223.02417	0.9
229.31456	0.6
233.04630	1.0
235.02495	2.2
237.04152	0.7
241.03539	0.8
267.05109	0.5
271.04611	1.1
277.03571	2.5
279.05148	1.5
295.04642	4.8
297.06363	1.4
300.99811	2.8
302.00308	2.0
303.00522	0.6
313.05737	12.3
314.06152	1.4
390.13583	0.7
403.06918	1.9
434.86890	0.5
447.05698	5.8
448.06616	1.0
449.07169	1.3
465.06848	14.1
466.07278	1.6
501.71194	0.7
573.08868	2.2
576.43488	0.5
583.20361	0.7
611.10681	4.7
617.07965	64.9
618.08453	12.5
629.11572	8.1
630.11420	1.2
635.09259	0.6
737.57129	0.5
781.12701	23.8
782.12866	6.2
801.27942	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
62.48249	0.6
63.77071	0.5
65.00223	0.7
67.01778	1.7
69.03343	2.3
70.36407	1.1
70.36808	1.1
71.01274	2.0
72.99201	1.1
79.01801	1.1
81.03343	1.3
83.01298	1.2
85.02863	0.7
86.14434	0.5
93.03342	0.9
95.01299	5.2
96.95946	0.5
97.02866	2.4
100.83712	0.6
101.02335	1.4
107.01295	6.1
109.02915	1.0
111.00782	2.9
113.02355	1.4
117.03410	1.2
119.04967	2.0
121.02859	0.8
123.00803	15.4
123.04477	0.7
124.01667	2.6
124.91776	0.5
125.02370	78.6
126.02719	2.9
127.00343	0.6
133.02922	0.7
135.04474	0.6
136.98749	1.6
137.02370	2.2
139.00322	4.8
140.01112	4.6
141.01906	1.5
142.94843	0.5
143.03482	1.0
145.02905	4.1
149.02406	1.4
150.03099	0.9
151.00354	3.9
151.03961	1.1
153.01889	1.8
161.02376	2.8
162.03052	0.6
163.03961	2.3
164.01076	0.8
165.01949	2.0
166.99808	5.0
167.03432	0.7
168.00606	9.3
169.01385	100.0
170.01755	4.1
173.02461	0.7
175.03940	0.7
177.01915	1.9
179.03473	5.0
181.01393	1.0
187.03993	1.2
189.01880	0.7
191.03473	2.1
193.01378	4.6
193.05107	0.9
194.99426	0.6
203.03477	0.6
205.01503	1.1
205.05099	1.1
207.02893	2.7
211.02495	7.2
215.03384	0.5
221.00920	1.8
221.04562	2.4
223.02281	0.6
233.04556	1.1
235.02467	3.7
237.04153	0.6
241.03548	1.6
249.04173	0.8
251.05579	1.2
271.47534	0.5
277.03574	1.6
279.05161	2.2
287.05612	0.6
295.04724	7.3
297.06049	0.8
300.99915	3.4
302.00336	1.7
303.00485	1.0
313.05731	18.9
314.06055	1.6
403.06732	3.1
421.07697	1.3
447.05673	5.5
448.06531	1.4
449.07266	2.1
465.06851	24.5
466.06870	2.8
573.08984	3.9
611.10406	2.8
612.10931	0.7
617.07965	63.9
618.08167	11.7
629.11646	4.6
630.12524	0.7
781.12634	17.4
781.26538	1.1
782.12897	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	781.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	0.3
59.01267	0.8
61.98668	0.3
65.00214	0.7
67.01783	1.6
68.00656	0.3
68.53612	0.3
68.99693	0.3
69.03348	1.7
69.55643	2.4
71.01266	2.7
72.98769	0.2
72.99191	0.7
73.02853	0.4
79.01785	1.5
80.19557	0.3
81.03364	1.0
83.01283	1.2
85.02856	1.2
87.00770	0.7
93.03368	0.6
95.01290	5.3
96.95930	1.1
97.02854	2.6
98.19823	0.6
99.00795	0.4
101.02342	1.5
105.03375	0.3
107.01292	6.9
107.04929	0.5
109.02859	1.2
110.00037	0.4
110.09753	0.3
111.00781	3.0
113.02355	1.4
117.03397	1.3
119.04957	2.1
121.02887	0.5
123.00806	15.9
123.04457	1.1
124.01652	2.8
125.02372	81.8
126.02704	2.4
127.00294	0.9
133.02913	0.7
135.04463	1.0
136.01529	0.3
136.98738	1.7
137.02367	1.5
138.03127	0.6
139.00317	4.6
139.03967	0.7
140.01102	3.4
141.01836	1.2
143.03419	0.6
145.02936	2.8
147.04457	0.8
149.02396	1.9
149.06049	0.4
150.03146	0.4
151.00322	4.3
151.03960	1.2
151.67062	0.3
153.01900	1.6
159.04445	0.5
161.02399	3.0
162.03168	0.3
163.00368	0.4
163.03922	2.0
164.01076	0.7
165.01886	1.8
165.05510	0.7
166.02699	0.8
166.99820	5.5
167.03467	1.3
168.00612	8.3
169.01387	100.0
170.01720	3.5
173.02382	0.6
175.00351	0.4
175.03931	1.2
176.01204	0.3
177.01926	2.1
177.05608	0.3
178.39037	0.3
179.03438	5.2
179.04898	0.4
181.01453	1.1
187.03984	1.1
189.01918	0.7
189.05643	0.3
190.02687	0.3
191.03458	2.2
192.04329	0.3
193.01401	3.1
193.05028	0.9
194.99370	0.3
195.02997	0.4
203.03458	0.9
205.01448	1.3
205.05084	1.1
206.02119	0.4
207.02985	1.9
209.04544	0.4
211.02472	6.5
215.03513	0.8
216.87578	0.3
217.01341	0.6
221.01074	1.4
221.04553	3.0
223.02425	0.9
233.04564	1.3
235.02448	3.1
241.03429	1.9
247.02608	0.4
249.04047	0.6
251.05722	0.8
253.03517	0.7
257.01047	0.4
267.05270	0.4
271.04395	0.7
274.01212	0.5
277.03604	1.1
279.05151	2.3
280.05811	0.3
287.05533	0.5
289.07254	0.8
295.04660	6.4
297.06421	0.4
300.99957	3.4
302.00348	1.3
303.00558	0.4
313.05746	17.0
314.06097	1.2
371.91193	0.3
387.14532	0.4
403.06815	4.3
417.09109	0.3
421.07904	1.2
447.05774	6.1
448.06180	1.1
449.07355	2.1
459.09576	0.4
465.06821	25.1
466.07175	3.0
535.20361	0.3
573.09033	4.4
574.09406	0.8
583.21698	0.9
611.10443	1.5
617.07959	66.4
618.08356	9.0
629.11383	3.1
635.08984	0.7
674.33600	0.4
682.72144	0.3
781.12714	18.9
782.12994	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	781.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.3
58.02870	1.8
59.01257	1.6
66.02441	0.6
66.40809	0.6
67.01775	2.0
69.03337	3.0
71.01274	3.9
72.99210	1.3
75.00764	1.7
79.01785	1.1
81.03361	0.7
83.01283	1.6
83.04908	0.7
85.02841	1.6
87.00780	0.9
93.03368	0.9
95.01286	8.7
97.02872	3.0
99.00724	0.6
100.75916	0.6
101.02347	2.0
102.01887	3.9
103.00262	0.8
107.01293	7.1
109.02877	1.7
111.00815	3.3
113.02377	2.0
119.04953	20.6
120.05346	0.7
121.02878	1.3
122.99902	1.3
123.00803	24.7
123.04456	1.6
124.01660	3.8
125.02370	99.0
126.02718	3.3
127.00313	1.4
133.02896	1.4
135.04439	1.6
136.98749	1.8
137.02393	3.0
138.03296	0.6
139.00327	5.7
140.01112	6.0
141.01859	1.6
143.03452	0.8
145.02878	1.8
147.04492	0.8
149.02364	1.4
151.00298	4.2
151.03964	2.1
153.01852	1.5
154.99771	0.5
159.04376	0.7
161.02383	3.3
162.03188	0.8
162.12831	0.6
163.03951	8.6
164.01083	1.6
165.01869	2.3
166.99815	7.7
167.03395	1.6
168.00595	10.2
169.01384	100.0
170.01707	5.0
173.02408	0.8
174.03178	0.7
175.03969	2.1
177.01862	2.6
179.03474	4.6
181.01311	1.3
182.22916	0.6
187.04030	1.1
189.01912	1.5
191.03456	2.2
193.01477	3.6
193.05075	1.0
195.02899	0.7
203.03474	1.9
205.01453	1.3
207.02928	2.6
211.02484	6.6
215.03374	1.0
217.01366	0.8
219.02998	1.0
221.00902	1.4
221.04567	1.7
223.02570	1.3
229.01364	0.7
234.01740	0.6
235.02507	2.6
237.03938	0.8
241.03601	1.5
243.02942	0.6
247.02377	0.7
249.03989	0.7
276.51471	0.8
277.03632	0.9
279.05084	2.6
287.05405	0.7
289.07141	2.1
290.07553	0.7
295.04684	7.0
300.99945	3.8
302.00275	1.0
306.51791	0.6
313.05719	20.0
314.06161	1.3
403.06766	1.9
421.07440	0.8
421.53668	0.6
441.08435	0.8
442.08398	1.6
443.09677	0.9
447.05637	4.4
449.07556	1.8
459.09451	2.0
465.06827	24.7
466.07233	2.7
559.39642	0.7
573.08862	2.1
611.10535	14.6
612.11212	3.1
617.08014	23.2
618.08484	3.4
629.11530	17.7
629.21301	1.2
630.12170	2.4
677.49731	1.9
691.22375	1.8
720.49756	1.1
781.12732	59.4
782.13239	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	781.128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03354	0.6
58.02866	0.8
59.01267	1.5
62.34203	0.5
67.01788	1.6
69.03355	2.0
71.01278	3.5
71.59821	0.6
72.99209	1.2
75.00796	0.6
79.01799	1.8
81.03356	1.3
83.01295	0.9
85.02859	1.0
87.00792	0.9
93.03384	1.2
94.63137	0.5
95.01286	8.2
97.02842	2.8
101.02360	1.6
102.01900	1.5
105.03315	0.6
107.01302	6.9
107.05025	0.5
109.02888	1.5
111.00801	3.7
113.02389	1.3
119.04951	17.3
120.05289	1.1
121.02864	1.2
122.99908	1.0
123.00803	20.8
123.04440	1.3
124.01634	3.1
125.02374	84.3
126.02704	3.1
127.00278	1.3
133.02859	0.8
135.04439	1.1
136.98759	1.8
137.02396	2.4
139.00316	6.6
140.01080	4.9
141.01891	1.5
143.03488	1.0
145.02896	1.4
149.02379	1.9
151.00294	5.3
151.03922	1.8
153.01886	1.8
161.02393	2.7
162.03036	0.5
163.00327	1.0
163.03972	8.5
164.01073	1.5
165.01854	2.1
166.32848	0.6
166.99820	6.2
167.03481	0.8
168.00600	9.6
169.01387	100.0
170.01758	3.8
173.02492	0.8
175.04012	1.8
177.01910	2.3
177.05527	0.8
179.03464	3.8
181.01331	1.5
185.02469	0.8
187.04002	1.0
189.01938	1.1
190.02701	0.7
191.03485	2.0
193.01419	3.3
204.04253	0.5
205.01407	1.4
205.04987	1.0
207.03015	2.1
211.02466	5.2
215.03462	0.7
221.00858	1.8
221.04561	1.6
223.02527	1.3
233.04535	1.3
235.02505	2.3
237.04024	1.1
241.03522	1.2
245.08197	0.6
249.04169	1.0
253.03552	0.6
275.02081	1.2
277.03616	1.1
279.05161	2.5
287.05386	0.5
289.07382	1.0
295.04773	5.5
297.06439	1.3
300.99948	4.3
302.00256	0.9
313.05731	18.6
314.06152	0.8
403.06787	1.5
447.05652	2.8
448.06140	0.8
449.07202	0.7
459.09274	1.1
465.06824	21.1
466.07159	1.4
573.09021	1.6
611.10504	10.6
612.10596	2.5
617.08020	18.8
618.08673	3.1
629.11676	12.7
630.12122	2.2
677.49817	0.8
691.22461	1.5
781.12769	48.0
782.13190	10.3
794.90350	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	19.6
61.98718	4.8
62.72652	0.5
63.70785	0.5
69.03329	1.6
71.01266	3.3
71.04905	0.7
71.56839	0.8
72.77982	0.5
78.95788	2.3
79.45638	0.4
80.96417	0.9
83.34967	0.5
85.02837	0.8
88.45676	0.5
89.02333	2.4
99.00792	0.6
101.02365	2.6
109.06490	0.8
113.02334	1.7
119.03452	0.8
143.49641	0.6
161.04477	1.4
167.10728	2.5
179.05540	1.1
179.10712	0.8
179.14420	3.3
195.13887	9.7
205.12311	9.5
207.10210	1.5
223.13400	100.0
224.13759	5.6
225.11243	1.0
235.08228	1.6
241.01250	1.4
253.09326	6.9
255.23380	1.5
277.21783	63.7
278.22052	3.8
322.85242	0.6
398.39291	0.6
441.21289	2.3
459.22501	16.8
460.22662	1.9
504.89627	0.5
513.30591	1.3
636.37183	0.5
719.44312	3.1
779.39948	4.8
780.40393	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98364	1.6
67.22193	1.4
69.03333	2.6
69.75135	7.7
75.18130	1.5
80.89202	1.3
81.03358	2.0
83.03670	1.4
87.00760	1.4
97.02858	2.4
107.01324	3.4
109.02862	3.8
111.00835	1.7
111.04418	1.9
115.10100	1.3
119.01272	2.0
123.00803	2.8
125.02370	68.1
126.02725	3.4
137.02365	7.8
139.00304	2.4
151.00311	2.0
161.02412	2.0
163.00307	12.1
163.03944	2.3
165.01868	7.6
169.01385	76.7
170.01682	2.1
173.02419	2.4
177.01791	1.8
178.99770	3.1
185.02440	2.9
185.04381	1.8
187.03981	2.9
189.01924	2.6
190.99817	8.6
193.01361	9.6
199.03885	1.9
201.01883	5.0
202.33908	1.5
203.03465	3.6
208.00104	3.2
209.00858	6.4
217.01422	4.0
217.05119	1.6
218.99261	2.9
229.01385	7.6
231.03043	3.5
237.00372	4.3
243.03149	2.3
245.00961	7.2
246.01312	1.6
246.45963	1.5
257.00931	6.9
258.01624	2.7
259.02655	2.9
271.02524	2.2
273.00552	7.2
273.03986	1.5
274.01242	2.5
275.02020	13.0
283.99744	2.4
285.00540	2.0
287.02081	2.6
299.01935	2.5
299.99188	22.5
300.99966	100.0
301.03085	3.7
302.00198	9.9
303.01431	3.7
315.01514	4.8
327.01636	2.9
343.00946	6.8
345.02557	5.2
353.05188	6.0
381.04779	16.4
382.05392	2.4
387.03827	2.4
405.04544	3.8
463.05273	33.9
464.05450	3.8
507.07697	2.0
551.06915	8.4
567.10266	2.0
575.07239	1.7
593.07996	2.5
611.08954	6.1
621.27368	1.9
633.07471	4.6
701.28339	1.8
704.12946	1.9
763.09375	2.4
781.10895	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	779.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00813	0.1
56.29107	0.2
59.01258	0.5
60.99194	16.8
61.98706	0.6
62.06225	0.2
71.01274	0.8
72.99198	0.3
83.04901	0.2
87.00778	0.5
88.00315	0.5
88.98701	100.0
89.02348	0.7
89.99021	1.0
90.26720	0.2
96.95934	0.4
98.20550	0.6
107.01378	0.3
109.02847	0.2
123.00803	0.3
125.02371	1.1
135.08058	0.2
137.02339	0.3
145.02835	0.3
151.03918	0.3
161.02452	0.3
163.03925	0.3
167.03459	0.2
169.01401	1.0
171.10168	0.3
209.11772	1.0
225.11292	0.2
227.12796	0.2
229.39641	0.2
253.09409	0.2
289.07269	0.3
300.99951	0.6
454.94977	0.2
475.32077	0.2
779.10693	0.2
779.36121	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21284	0.2
57.70289	0.2
61.92902	0.2
71.01286	0.2
71.56963	0.3
93.03335	0.3
95.01283	1.5
107.01272	0.4
109.02898	0.2
111.00850	0.3
117.03371	1.1
119.04934	3.3
121.02855	0.3
123.00797	3.7
124.01614	0.6
125.02374	4.5
129.03384	0.6
131.04967	0.5
133.02879	0.9
135.04388	0.3
137.02350	0.6
139.00279	0.3
145.02890	3.9
147.04465	1.5
149.02350	0.6
151.00351	0.3
157.02902	1.3
158.03604	0.3
159.04466	1.1
160.01582	0.2
161.02373	1.2
161.06046	0.4
161.65097	0.2
163.00319	0.4
163.03958	2.6
164.01086	0.5
164.04710	0.7
165.01927	0.4
166.99884	0.4
169.01382	2.9
173.02397	2.9
174.02924	0.3
175.03979	2.5
177.01950	1.2
177.05559	0.3
179.03503	0.4
185.02411	3.3
186.02861	0.2
187.04054	1.0
189.01927	1.4
190.02687	0.9
191.03499	2.5
200.01089	0.4
201.01918	4.5
202.02504	0.5
203.03494	4.2
205.01451	0.6
205.05133	0.4
213.01871	1.1
214.02559	0.5
216.00690	0.3
217.01375	1.8
218.02202	0.3
219.03024	1.2
226.99844	0.6
227.03435	0.4
228.00648	0.4
229.01436	7.7
230.02049	1.2
231.02992	4.0
232.03430	0.3
239.03487	0.2
240.00612	0.3
244.00076	0.5
245.00937	4.2
246.01364	0.5
247.02505	2.2
248.03276	4.0
249.04059	5.2
254.99376	0.5
257.00925	5.5
258.01608	1.4
259.02478	0.3
267.03021	0.2
271.99640	0.3
273.00485	3.9
274.01178	1.8
275.02029	11.6
276.02405	0.9
283.99716	3.5
284.02960	0.4
285.00159	0.3
289.07288	0.3
291.01514	2.0
299.99231	4.4
300.99954	100.0
302.00299	7.0
431.10056	0.6
445.04028	0.2
463.05179	0.4
534.28522	0.2
609.08752	1.2
615.06262	0.4
779.11182	41.3
780.11493	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	779.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.08561	0.2
60.79052	0.2
71.01284	0.2
84.33239	0.2
85.02856	0.2
89.03874	0.2
93.03364	0.3
95.01277	1.4
97.02865	0.2
99.87950	0.2
107.01273	0.3
109.02866	0.3
113.02351	0.3
117.03374	1.6
119.04950	3.8
121.02851	0.3
123.00810	3.4
123.04448	0.2
124.01566	0.6
125.02374	4.6
126.02663	0.2
129.03394	0.4
130.04164	0.2
131.04950	0.4
133.02872	0.7
135.04427	0.5
137.02295	0.4
139.00227	0.2
141.03413	0.2
145.02885	4.2
146.03242	0.2
147.04489	1.4
149.02386	0.6
151.00429	0.2
152.83530	0.2
157.02869	1.1
158.03661	0.4
159.04475	1.0
161.02422	0.9
161.05977	0.2
163.00247	0.2
163.03963	2.6
164.01111	0.4
164.04671	0.5
165.01918	0.3
166.99831	0.2
169.01401	2.9
173.02419	2.1
174.03149	0.6
175.03979	2.1
176.00978	0.2
176.04390	0.2
177.01883	1.3
177.05450	0.4
185.02423	3.3
186.02818	0.3
187.03969	0.7
189.01920	1.4
190.02687	1.2
191.03479	2.6
192.04248	0.2
200.01184	0.3
201.01910	4.3
202.02522	0.6
203.03482	3.9
204.03848	0.2
205.01332	0.4
205.05072	0.3
211.02386	0.4
213.01973	0.9
214.02686	0.3
217.01427	1.7
218.02095	0.3
219.02966	1.1
226.99887	0.6
228.00639	0.6
229.01439	7.6
230.02144	1.0
231.03012	4.1
232.03397	0.3
235.02478	0.3
239.03506	0.2
240.00652	0.2
244.00143	0.4
245.00958	4.8
246.01381	0.2
247.02533	2.0
248.03273	4.2
249.04053	5.7
250.04453	0.4
254.99507	0.2
255.02853	0.2
257.00949	5.3
258.01660	1.5
259.02466	0.5
269.04736	0.3
273.00497	3.1
274.01212	1.5
275.02048	11.9
276.02411	1.0
281.04556	0.3
283.02597	0.3
283.99619	3.3
287.02060	0.3
291.01578	2.2
299.99228	4.2
300.99960	100.0
302.00302	7.1
315.01349	0.2
357.06189	0.3
445.04105	0.5
463.05191	0.8
481.98593	0.2
609.09052	1.8
610.09192	0.3
615.06293	0.9
689.48602	0.2
779.11163	34.3
780.11517	7.6
780.23138	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50632	0.3
63.02298	0.7
65.00231	1.0
70.83038	0.2
71.61722	0.4
73.75935	0.3
83.01292	0.4
107.01303	1.5
109.02911	0.4
115.05499	0.5
119.04991	0.3
123.00775	0.4
125.02380	2.9
131.04962	0.5
133.02863	0.3
135.00826	1.0
137.02356	0.4
143.04974	1.1
145.02904	1.0
147.04478	0.4
149.02397	0.9
151.00336	2.2
157.02939	0.4
159.04492	1.3
161.02423	0.5
163.00290	0.7
169.01392	0.7
169.02901	0.9
170.87315	0.3
171.04485	1.2
173.02406	1.2
175.03964	0.9
177.01897	0.7
178.99780	0.7
185.02434	0.5
187.03972	2.7
189.01855	0.4
191.03490	1.2
191.05606	1.1
197.02403	0.7
199.04015	0.8
201.01796	0.3
203.03510	3.3
213.01929	1.7
214.02654	0.7
215.03491	4.2
216.03821	0.5
217.01407	1.0
219.02948	0.3
221.35551	0.3
230.02042	0.3
231.03018	2.4
241.01492	1.8
242.02217	1.7
243.02965	3.3
244.03247	0.4
258.01843	0.4
259.02545	6.5
260.02841	0.6
269.00970	0.5
270.01553	0.4
271.02536	3.7
287.02048	40.9
287.33197	0.3
288.02396	3.4
297.00574	0.4
315.01532	100.0
316.02036	14.0
317.02914	1.3
396.52829	0.3
408.87991	0.4
463.08984	9.5
464.09540	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95383	0.4
57.03342	1.4
57.05163	0.4
59.01261	4.6
61.98719	4.1
68.99070	0.4
69.03343	1.5
70.16801	1.7
71.01270	4.9
73.02842	1.1
77.52306	0.4
78.95799	0.8
80.02563	1.0
81.03344	1.2
83.01254	1.0
83.04908	4.6
84.02060	0.7
85.02846	5.8
87.00763	1.3
89.02338	3.9
95.04937	0.9
96.95912	7.8
96.96881	1.0
97.02866	1.5
97.06496	1.5
98.95430	0.6
99.00780	0.4
101.02348	3.8
109.02866	1.1
113.02396	2.6
116.92762	2.9
119.03449	1.0
123.00777	0.4
123.04428	0.8
125.02341	2.6
125.09679	0.8
127.11199	1.0
135.08054	0.9
137.02394	1.5
137.09677	1.7
138.02895	0.4
143.03429	0.9
145.02885	0.6
145.05005	0.8
147.11821	0.4
149.02406	0.4
151.03981	0.7
156.67645	0.4
161.02417	0.6
161.04486	1.7
163.04051	0.6
163.11246	3.6
164.01120	0.6
164.11612	0.5
165.01883	2.3
165.12761	2.0
169.01381	1.6
171.10233	16.0
172.10609	0.7
175.03961	0.6
179.05571	0.7
181.12289	0.8
183.13882	2.0
185.11716	0.8
191.10762	0.9
193.12294	0.5
201.11302	1.2
209.11830	100.0
210.12148	5.7
211.13379	9.0
212.13808	0.6
221.11827	1.2
227.12894	13.9
229.14435	6.0
235.06078	0.9
235.08257	9.4
236.08537	0.4
239.12907	0.8
241.50981	0.5
246.41554	0.5
253.09332	20.3
254.09612	1.0
289.07327	0.8
291.19672	3.2
300.99985	0.6
309.20792	8.3
310.21109	0.6
327.21838	59.7
328.22137	6.0
378.01965	0.4
436.17419	0.4
445.21146	2.0
519.33282	1.5
545.30017	1.9
563.30878	2.9
593.31049	0.8
611.32391	1.8
773.38214	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01275	0.1
61.98713	0.2
70.02954	0.3
71.01263	0.4
78.95796	5.7
79.95627	2.8
89.02361	0.1
94.97968	0.2
95.97495	0.1
96.95917	100.0
96.96812	8.3
97.89346	0.1
97.95845	0.4
97.96383	0.1
98.02409	0.4
99.00810	0.1
101.02332	0.1
118.96551	0.1
125.02335	0.1
125.36716	0.1
148.83464	0.1
156.86823	0.1
171.10219	0.4
201.11324	0.1
207.10226	0.1
209.11900	0.2
211.13358	0.3
212.13831	0.1
217.58263	0.1
225.11298	0.1
234.23778	0.1
235.08116	0.1
252.89159	0.1
253.09410	0.1
277.21783	0.1
293.21295	0.2
311.22403	0.2
341.23648	0.1
351.59766	0.1
397.13574	0.1
407.17712	0.1
435.08362	0.2
453.09518	0.4
494.67056	0.1
713.30408	0.5
714.30658	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56511	1.5
59.01260	15.9
61.98702	2.4
67.64193	1.5
69.03316	1.5
69.83109	1.7
70.73982	3.3
70.74315	3.0
71.01269	82.6
73.02824	2.9
78.95790	3.0
81.03345	3.7
83.04914	3.8
85.02817	3.4
89.02326	4.1
95.01341	1.7
96.95936	2.0
97.02847	8.3
99.00770	6.4
101.02336	6.6
109.05814	2.0
109.06511	29.3
110.74325	1.5
113.02325	4.3
121.06474	3.0
125.02319	1.7
135.08069	4.4
142.02628	1.7
161.04582	2.0
163.11232	15.8
171.10255	11.5
181.12306	9.3
185.11842	2.9
189.09174	3.4
199.09766	2.6
199.13380	8.5
201.11340	7.7
201.92822	1.5
207.10254	89.5
208.10539	3.9
209.11926	2.0
223.89783	1.8
225.11330	52.3
226.11534	2.3
231.16119	2.0
235.08243	3.8
243.12398	6.9
253.09319	14.4
277.21790	100.0
278.22070	12.2
365.15601	1.8
443.19543	3.7
461.20380	14.9
467.20786	1.8
470.26862	1.7
721.41669	17.8
722.42480	5.7
725.39117	1.7
739.42651	6.0
771.45868	19.1
772.45526	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	771.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.7
57.03338	2.8
58.00495	1.8
59.01265	17.2
61.98734	1.2
69.03347	3.3
69.75655	2.5
69.76064	1.6
71.01270	33.7
71.04918	1.7
72.99213	2.1
73.02835	5.7
75.00768	0.8
75.97100	0.8
78.95815	0.8
80.02561	1.6
81.03342	4.0
83.01279	3.5
83.04914	8.0
84.02054	1.6
85.02847	6.4
87.00782	6.8
89.02336	7.8
93.03391	0.8
95.01289	2.1
95.04929	4.7
96.95926	7.9
96.96570	0.6
96.96842	1.1
97.02853	10.7
97.06512	4.6
99.00793	2.5
99.04379	0.9
101.02352	13.3
106.04147	1.4
107.04943	1.1
109.02840	1.0
109.06504	9.4
109.07199	1.1
111.00796	2.0
111.04496	0.7
111.08053	4.4
113.02367	7.2
119.03429	2.3
119.08546	0.9
121.06550	0.9
123.04455	2.1
123.08077	2.9
125.02390	1.7
125.06020	1.3
125.09658	9.2
127.07640	0.7
127.11201	2.8
133.04947	1.0
135.08087	2.6
137.02412	0.9
137.09669	4.4
139.07582	1.6
139.11235	1.1
141.01810	0.8
141.09143	0.7
143.03458	1.8
145.05003	2.2
149.09695	1.7
151.11226	1.9
153.09131	1.1
153.12810	1.6
155.10712	2.6
161.04523	6.6
161.09669	1.7
163.11246	17.3
164.11607	1.6
165.09177	1.8
165.12805	10.5
167.10724	2.9
169.12291	2.0
171.10233	88.2
172.10588	3.8
177.09120	0.9
177.12871	0.9
179.05563	1.5
179.10760	2.6
179.14391	0.9
181.12340	7.2
183.10193	1.3
183.13928	2.3
185.11819	10.5
189.09210	2.8
191.10745	2.6
191.14365	3.1
192.02974	0.7
193.12303	2.3
193.15923	0.9
197.11835	17.1
198.12096	0.8
199.09785	1.6
199.13362	2.4
201.11317	37.4
202.11774	1.3
207.10274	30.2
208.10574	2.5
209.11833	92.4
210.12131	6.2
211.13376	12.5
212.13737	1.1
215.12959	2.3
217.16106	1.2
221.11810	1.2
223.13368	1.7
225.11331	55.2
226.11707	3.8
227.12917	15.6
228.13274	1.5
235.08263	10.4
243.12364	4.1
245.19130	6.0
247.20772	5.4
252.54207	0.8
253.09332	36.9
254.09676	1.6
263.20291	1.9
273.18582	3.0
277.09299	0.7
281.21414	0.7
289.18173	19.6
290.18613	1.9
291.19733	58.8
292.20078	6.8
293.21411	1.3
295.10425	3.3
307.19211	14.1
308.19586	0.9
309.20782	100.0
310.21173	9.9
325.20044	1.2
341.23456	3.9
407.19293	1.8
418.49228	0.7
443.19281	2.8
451.21667	0.8
461.20367	7.6
462.20529	0.8
479.20837	1.3
493.32007	0.9
545.29547	2.4
596.13800	0.8
673.64447	0.9
735.39618	1.0
753.40961	6.2
754.41498	2.2
771.41730	1.5
793.57434	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01272	0.2
61.98718	1.9
69.03363	0.1
71.01253	0.1
71.10172	0.1
78.33297	0.1
78.95798	7.1
79.26193	0.1
79.95630	3.1
80.82935	0.1
80.96413	0.2
86.99009	0.1
94.97962	0.2
96.95918	100.0
96.96819	9.6
97.02808	0.1
97.95840	0.4
98.02415	0.1
101.02357	0.1
109.02870	0.1
123.00815	0.1
123.04440	0.1
125.02339	0.5
137.02344	0.1
138.55171	0.1
145.02895	0.2
149.02440	0.1
151.04007	0.1
151.07593	0.1
165.01895	0.2
169.01422	0.2
183.32356	0.1
187.76390	0.1
209.11816	0.5
265.07626	0.2
265.10794	0.1
271.90924	0.1
289.07217	0.2
301.00079	0.1
483.15393	0.1
483.78851	0.1
499.32990	0.2
771.34705	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.7
57.03331	3.0
57.52536	0.8
58.00473	2.4
59.01265	20.1
59.01567	1.2
61.98706	3.2
69.03338	3.5
70.83334	0.8
70.83686	2.5
71.01269	69.9
71.04918	1.3
71.76773	0.7
72.01608	1.3
72.99184	1.5
73.02843	7.2
78.95790	3.1
79.95635	1.2
80.02567	1.6
81.03349	4.4
83.01283	3.3
83.04914	6.9
83.05337	1.1
83.82655	0.6
84.02067	1.8
85.02850	5.6
87.00780	6.7
88.32202	0.7
89.02336	9.7
91.03887	0.9
93.03355	1.4
95.01283	3.7
95.04919	4.1
96.95910	37.6
96.96825	3.9
97.02846	8.3
97.06470	5.1
99.00780	3.1
99.04399	1.0
101.02333	14.2
107.04958	1.6
109.02850	0.9
109.06500	12.7
110.03605	2.1
111.00809	2.1
111.04455	1.4
111.08065	11.1
113.02362	7.9
115.03934	0.9
119.03422	2.4
119.08588	1.1
123.04437	2.1
125.02377	2.0
125.06030	1.0
125.09649	7.7
127.07604	1.2
127.11224	4.0
133.04987	1.1
135.08075	2.7
137.02261	0.8
137.09634	2.4
139.07558	1.8
142.02615	1.5
143.03429	3.3
145.05003	2.1
149.02411	0.7
149.09668	1.8
151.11237	4.1
153.09140	1.7
153.12756	2.7
155.10760	3.6
157.12192	0.8
161.04460	4.5
161.09631	1.9
163.07458	0.8
163.11227	14.8
165.09143	1.8
165.11511	1.2
165.12791	8.0
167.10695	2.5
169.12288	6.3
171.10226	87.5
171.55238	0.8
172.10573	2.9
177.12831	1.2
179.05544	1.6
179.10713	3.7
179.14302	0.8
181.12291	8.7
183.10207	1.0
183.13815	3.0
185.11775	6.9
189.09169	2.2
191.10788	1.5
191.14290	1.2
193.12309	2.1
195.10248	1.1
195.74866	0.8
197.11815	59.2
198.12164	2.8
199.09772	0.7
199.13336	6.8
201.11308	37.6
202.11601	1.7
207.10245	41.2
208.10553	2.8
209.11815	85.9
210.12151	5.3
211.13370	28.0
212.13658	1.8
215.12863	3.8
223.13379	0.9
225.11330	65.3
226.11687	4.4
227.12891	17.7
228.13307	1.0
235.08238	13.0
235.13365	0.9
243.12393	4.7
245.19147	3.0
247.20724	1.7
253.09326	37.6
254.09587	2.0
263.20193	6.3
265.18170	1.1
273.18747	1.2
289.18219	10.0
290.18478	1.2
291.19727	36.9
292.20010	2.2
293.21323	1.8
295.10422	2.3
299.15112	1.3
307.19205	8.1
308.19485	0.8
309.20776	100.0
310.21133	8.4
324.28583	0.9
325.20468	1.9
327.21976	1.2
341.23322	7.8
364.21838	0.7
405.17731	1.4
407.19238	1.7
443.19257	2.9
445.20856	0.8
447.22345	1.1
461.20401	12.3
462.20654	1.7
479.21463	2.4
493.31598	1.2
495.57962	0.9
517.32367	1.1
527.28320	0.9
545.29578	1.4
735.40656	1.1
753.40918	9.4
754.41400	3.2
771.42078	7.4
772.42456	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02355	0.1
59.01266	1.1
61.98716	100.0
71.01294	0.2
71.12523	0.1
72.93671	0.2
77.29559	0.2
80.96403	0.7
94.97995	0.3
103.77727	0.2
128.74744	0.1
149.95871	0.2
164.98715	0.2
211.13379	2.0
212.13730	1.6
213.13979	0.7
214.61781	0.1
225.00754	0.3
265.24377	0.1
277.21695	1.0
278.22150	1.2
278.93887	0.2
279.22522	0.6
455.60510	0.2
770.43494	0.2
771.40387	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.44
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	5.8
61.98710	1.5
71.01269	4.2
73.56470	0.9
78.73518	0.8
78.95820	0.9
83.04929	3.2
85.02867	1.5
89.02345	1.8
95.95189	0.9
101.02343	3.9
113.02368	1.1
145.05057	1.2
163.11220	2.4
165.12778	1.3
185.11702	1.6
195.10251	2.0
197.11761	2.6
209.11823	72.7
210.12184	4.8
213.11404	1.5
227.12904	11.0
234.82542	1.0
235.08334	7.4
253.09340	8.4
263.20209	100.0
264.20615	8.7
277.21860	9.0
278.22360	1.0
436.27475	1.0
443.21866	1.1
737.41382	1.6
760.08514	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20834	0.6
57.48889	0.6
59.00985	1.1
59.01265	11.8
61.98708	2.6
66.88370	0.6
67.47858	0.6
70.09543	2.7
71.01286	2.4
75.00760	2.5
78.71709	0.6
78.95793	1.8
80.96432	1.4
82.69847	0.6
87.00767	0.7
89.02327	1.8
98.78574	0.6
101.02326	3.1
113.02361	1.0
119.03394	1.0
140.01161	0.8
152.99525	0.7
154.20558	0.6
161.04517	1.1
171.10234	0.6
183.13858	13.3
195.13878	17.7
196.14240	1.5
208.60286	0.6
213.14948	100.0
214.15320	7.0
235.08253	1.0
253.09312	17.5
254.09679	0.9
267.19742	5.1
277.21777	79.0
278.22134	7.9
279.23492	0.9
293.17639	2.3
311.18811	1.5
317.66107	0.7
322.65277	0.7
367.31259	0.7
449.23843	0.8
473.36349	5.2
474.36560	1.0
769.41693	3.3
770.46136	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	768.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.1
61.98717	100.0
62.98404	0.1
65.41294	0.1
68.64972	0.1
69.03391	0.1
69.92417	0.1
71.33089	0.1
73.93638	0.1
78.95820	0.1
79.95628	0.6
80.96383	0.3
83.01258	0.1
96.95924	0.3
109.02885	0.1
123.04432	0.1
125.02351	0.6
133.02916	0.1
137.02409	0.2
145.02895	0.1
151.03891	0.1
161.02393	0.1
169.01402	0.2
177.01976	0.1
181.66116	0.1
197.11829	0.1
209.11818	0.2
210.53276	0.1
225.00827	0.1
250.45644	0.1
270.69501	0.1
271.06235	0.1
289.07336	0.3
290.07443	0.1
296.52396	0.1
301.00067	0.1
309.20773	0.1
310.21234	0.1
327.84927	0.1
496.17126	0.1
768.28247	0.1
769.32434	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	767.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00483	0.1
59.01265	12.8
61.98719	0.5
69.03332	0.4
70.72440	0.4
71.01265	2.4
72.99191	0.1
73.02838	0.4
78.98496	0.2
79.95632	0.5
80.96415	2.6
81.95239	0.1
82.95980	0.9
82.96818	0.1
83.01285	0.3
83.04918	0.3
85.02847	0.7
87.00784	0.4
89.02338	1.4
94.98016	0.7
95.01297	0.2
96.97561	0.2
97.02859	0.2
101.02360	1.8
106.98024	0.2
113.02370	1.0
119.03436	0.3
122.77110	0.1
125.02357	0.2
143.03485	0.2
148.99060	0.3
161.04515	0.8
164.98601	0.4
165.12817	0.3
167.10753	0.3
167.14363	0.7
179.05585	0.5
183.13872	6.5
184.14275	0.4
193.12332	1.6
211.13387	100.0
212.13722	6.1
225.00726	0.9
227.00436	0.2
235.08218	1.1
253.09329	5.7
254.09586	0.2
259.20612	0.2
260.00854	0.1
272.73151	0.1
275.20139	0.2
277.21780	48.5
278.22122	4.2
418.90308	0.2
429.21344	1.2
430.21466	0.2
447.22470	7.7
448.22852	0.6
513.30774	0.5
681.47394	0.1
707.44220	0.5
766.41510	0.2
767.41675	4.6
768.41669	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41402	0.7
57.03339	13.7
59.01262	2.5
61.98719	21.6
63.24665	0.6
69.03329	1.2
69.25285	7.9
71.01260	0.9
72.99200	1.3
81.03337	4.4
83.01276	11.3
85.02876	0.9
88.98706	2.0
89.02303	1.1
93.03368	2.4
95.01259	0.6
95.04926	2.3
96.95917	5.7
97.02869	3.8
105.03340	0.9
107.01307	1.8
107.04977	0.8
108.02056	0.7
109.02864	20.1
111.00774	3.2
116.92865	0.8
117.03393	2.1
121.02900	3.8
122.03673	1.6
123.00797	2.3
123.04449	11.6
124.01575	2.8
125.02369	100.0
126.02707	3.4
131.04991	0.9
133.02856	1.4
135.04448	4.1
135.11697	0.7
137.02377	39.9
138.02725	0.8
139.00264	0.8
139.03946	2.3
143.04971	1.0
145.02895	22.4
146.03717	3.8
147.04408	0.9
149.02382	8.4
150.03140	2.0
151.03957	11.8
152.04298	1.0
157.06525	1.6
159.04480	13.6
160.05121	2.0
161.02359	6.2
161.06030	9.1
162.03123	2.2
163.00319	0.9
163.03967	1.9
164.01089	3.2
165.01917	5.5
165.05504	0.8
167.03499	1.1
167.04906	1.3
168.00671	1.0
169.01346	4.5
173.06029	1.5
174.03142	0.9
175.03960	3.1
175.07573	1.5
177.01936	1.6
177.05478	0.9
179.03529	4.0
179.10756	1.7
181.06503	1.4
183.04517	3.3
184.05173	1.2
185.02460	0.8
185.06024	9.2
186.54848	0.7
187.03989	8.3
188.04713	2.7
190.02733	1.2
191.03362	1.0
197.06050	1.3
199.07617	1.4
201.05595	5.1
202.06264	2.4
203.07132	17.9
205.05060	5.9
209.06081	3.6
209.11858	3.8
211.02425	2.6
211.04155	1.6
211.13400	2.5
213.01921	1.6
213.05594	0.7
217.01480	0.7
221.08188	2.0
223.09721	1.6
225.05606	2.1
226.06152	0.7
227.03493	1.5
227.07140	7.7
229.04977	3.4
230.02277	2.2
230.05711	1.2
245.08218	17.9
246.08678	1.2
247.06264	1.3
253.05101	14.7
254.05441	1.2
256.03806	2.0
271.06213	59.7
272.06464	5.2
289.07245	83.2
290.07590	6.3
301.00024	1.7
301.14554	1.2
315.16174	3.5
319.45407	0.7
345.13547	1.3
357.13544	5.3
358.51071	0.6
365.17801	1.8
407.18439	5.0
424.89035	0.7
433.16922	1.3
435.10916	1.3
451.11319	1.3
451.17651	10.2
451.23569	0.9
452.18256	1.4
477.20187	1.4
491.17490	1.1
495.16721	32.2
496.17239	3.9
496.49353	0.7
528.14215	0.7
548.22113	0.7
573.22491	0.9
575.54553	0.9
597.21674	2.8
605.26770	2.4
615.22650	2.8
616.23199	1.2
617.20166	0.9
629.20703	4.7
630.21381	1.6
641.20465	0.9
723.25104	1.4
767.24451	4.0
768.25049	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.5
59.01256	0.8
61.00104	0.2
63.96120	2.4
64.17583	0.3
69.03348	0.9
70.56397	0.3
70.59032	1.0
70.59393	0.3
71.01270	8.0
73.02850	1.9
76.99863	0.3
78.98480	8.0
79.95627	16.8
80.96410	91.0
81.03357	1.0
81.96313	0.3
83.01289	0.3
87.00767	3.1
94.97989	19.4
95.01280	0.5
96.95898	1.3
97.02843	1.9
99.00774	1.0
101.02357	3.0
106.97991	3.8
113.02324	0.5
121.43658	0.3
122.97491	3.8
125.02381	3.0
127.03923	1.1
134.97510	6.3
136.99118	2.1
143.03418	0.5
146.97469	0.7
148.99086	7.8
152.98578	7.4
161.04506	0.5
164.98586	15.4
165.98888	0.6
167.00171	0.9
179.00264	0.3
188.98476	0.5
190.76837	0.3
206.99718	3.5
209.11839	1.7
225.00752	27.5
226.01021	1.0
255.23399	1.8
283.05008	0.6
371.97369	0.3
405.17667	0.4
509.16968	3.6
537.27692	2.0
765.41162	100.0
766.41534	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	765.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24900	0.1
59.01264	0.4
60.99193	16.9
61.98723	0.6
71.01278	0.1
71.04929	0.1
72.99202	0.2
86.93352	0.1
87.00770	1.8
88.00300	2.6
88.01114	0.2
88.98701	100.0
89.02332	10.2
89.99030	0.8
95.60960	0.1
101.02359	0.2
101.35936	0.1
115.05800	0.1
117.05455	0.3
131.99094	0.1
151.28296	0.1
193.83130	0.1
229.19638	0.2
253.09193	0.1
277.21680	0.5
303.19382	0.1
313.14719	0.2
397.13586	0.9
415.14310	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	2.2
60.99194	0.7
61.98723	2.4
63.92992	0.4
70.13924	1.2
70.14346	1.0
71.01269	1.9
72.99198	0.8
73.02862	0.5
80.02553	1.1
81.03356	1.1
83.04911	4.2
88.98683	3.8
89.02337	1.2
95.04916	0.6
96.95907	4.4
97.24761	0.4
101.02357	1.6
109.02842	0.8
113.02370	0.7
121.02846	0.6
123.04466	0.9
123.80242	0.4
125.02367	3.6
125.06023	0.6
137.02377	1.2
145.02919	0.5
146.22998	0.5
151.03947	0.9
161.02422	1.2
161.04538	1.0
163.03943	0.6
163.11227	3.1
165.01955	0.6
165.12846	2.7
169.01382	2.0
171.10208	0.9
179.03432	0.6
181.12350	0.5
189.09196	0.8
191.10803	0.8
209.11830	100.0
210.10309	0.7
210.12158	7.4
211.13429	0.8
227.12894	14.1
228.13272	0.7
235.08301	1.8
253.09344	4.7
259.28647	0.5
289.07260	1.7
300.99960	1.4
305.43698	0.5
340.23953	0.5
345.80179	0.5
445.20819	3.6
637.32391	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
82.19806	0.1
89.46750	0.1
107.45741	0.1
113.49355	0.1
124.01618	0.1
129.03406	0.1
133.02852	0.1
145.02866	0.8
151.00285	0.3
157.02893	0.4
163.03966	0.2
173.02344	0.7
175.03906	0.1
178.99782	0.3
185.02411	1.6
186.02811	0.1
189.01910	0.3
199.78096	0.1
201.01933	1.3
213.01933	0.2
214.02695	0.2
214.99933	0.1
217.01358	0.3
226.99886	0.3
228.00580	0.2
229.01439	2.5
229.71965	0.2
230.01945	0.1
242.02171	0.2
243.03043	0.2
244.00256	0.2
245.00964	0.9
246.01555	0.1
251.31924	0.1
254.99411	0.2
257.00931	1.1
259.02591	0.3
270.01724	0.4
271.02518	1.8
273.00491	0.2
283.99744	1.9
287.02060	0.9
288.02539	0.1
299.99127	1.8
300.99963	100.0
302.00299	6.7
316.02310	6.8
317.02911	1.5
428.57745	0.1
463.08945	15.3
464.09195	1.6
627.16968	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	763.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38819	0.2
59.01257	0.4
60.99194	16.1
61.98708	0.5
63.05257	0.2
64.09692	0.1
68.40214	0.2
71.01271	0.5
71.46997	0.2
72.99181	0.3
83.04951	0.2
85.02852	0.2
87.00312	0.2
87.00765	1.1
88.00294	1.1
88.98701	100.0
89.02341	2.7
89.99038	1.1
96.95927	0.5
101.02367	0.3
102.88191	0.1
109.02845	0.4
113.02325	0.2
117.90540	0.1
123.04456	0.3
125.02362	0.8
137.02379	0.4
139.00188	0.2
139.03920	0.2
145.02916	0.2
149.02361	0.4
151.03958	0.3
161.02477	0.2
169.01358	0.7
171.10185	0.7
175.03957	0.2
179.03482	0.2
209.11800	3.1
210.12233	0.3
211.13373	0.6
218.46513	0.1
227.12856	0.4
229.25639	0.2
253.09401	0.3
270.87338	0.2
289.07166	0.2
300.99954	0.5
397.13831	0.4
426.31705	0.2
551.64532	0.2
741.77789	0.2
763.12878	0.3
763.29620	0.2
776.62128	0.2
785.69580	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79413	0.5
59.01267	19.1
61.70834	0.7
61.98721	4.1
69.98557	0.5
71.44693	1.1
77.63396	0.7
78.95796	25.8
80.02563	1.4
80.96419	0.8
81.03352	2.8
83.01289	2.1
83.04909	7.5
84.02058	1.0
95.04906	1.1
109.06459	0.7
122.98483	0.7
124.99986	1.0
125.06028	1.0
125.09624	1.4
130.23865	0.6
135.08138	1.3
138.47498	0.7
147.11768	0.7
152.98465	0.7
152.99535	3.2
163.11240	6.4
165.12819	3.9
168.04285	7.1
168.99724	0.6
181.12262	1.1
191.10794	2.9
209.11824	92.4
210.12173	5.5
223.13409	2.4
224.06961	4.3
226.12077	1.8
227.12917	12.9
228.13184	1.0
241.14482	15.4
253.12352	0.6
255.23343	72.5
256.23737	6.0
257.92593	0.7
480.30902	5.1
619.36591	2.6
645.37067	1.6
690.43683	100.0
691.44147	20.2
704.45337	9.4
705.43860	2.0
764.40741	1.2
765.41931	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54865	0.2
66.98563	0.2
69.39048	1.9
71.01275	0.3
94.29176	0.2
95.01303	1.1
96.95885	1.6
103.88107	0.2
104.95576	0.2
106.76828	0.2
107.01314	0.3
109.02752	0.2
109.60004	0.2
113.02409	0.3
117.03369	0.6
119.04967	0.7
121.02866	0.4
123.00799	3.5
124.01600	0.3
125.02369	3.5
126.02671	0.2
129.03394	0.4
131.04948	0.4
133.02904	0.4
135.04449	0.4
137.02338	0.2
139.00272	0.3
139.03918	0.2
141.01744	0.2
145.02882	2.4
147.04466	2.8
148.04753	0.2
149.02408	0.6
151.00307	0.4
151.03990	0.4
157.02901	0.9
158.03642	0.2
159.04445	1.2
161.02422	1.0
163.00322	0.3
163.03960	1.5
164.01099	0.4
164.04718	0.5
165.01880	0.4
166.99806	0.6
168.00740	0.2
169.01378	2.4
173.02388	2.2
174.02995	0.3
175.03986	2.1
177.01898	1.1
177.05513	0.2
179.03423	0.2
182.67311	0.2
185.02397	3.1
187.03923	0.5
189.01949	1.4
190.02666	0.9
191.03482	2.2
200.01176	0.2
201.01909	3.6
202.02672	0.4
203.03479	3.3
205.01471	0.3
213.01967	0.8
215.03415	0.2
217.01401	1.7
218.02063	0.4
219.02905	1.3
226.99818	0.9
228.00635	0.6
229.01425	7.2
230.02191	1.0
231.03000	3.7
244.00247	0.5
245.00958	4.4
246.01334	0.4
247.02542	2.2
248.03296	2.9
249.04070	4.3
250.04462	0.3
257.00937	4.6
258.01614	1.3
259.02463	0.4
273.00479	3.5
274.01227	1.5
275.02045	9.7
276.02438	0.8
281.04709	0.4
283.99710	2.8
285.00357	0.4
291.01535	1.8
299.99164	4.0
300.02603	0.2
300.99966	100.0
302.00308	7.4
445.04239	0.3
463.05096	0.3
539.05255	0.3
593.09442	1.5
604.21075	0.2
615.06494	1.0
763.11676	39.8
764.12054	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	763.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86079	2.6
62.81616	2.7
63.02282	2.9
63.85532	2.6
64.83016	2.3
65.00214	7.9
69.34752	4.9
69.35156	20.2
71.01289	2.7
83.01280	5.0
88.98697	3.9
97.02888	3.4
107.01318	17.6
108.31847	2.5
109.02895	4.6
123.00771	3.3
124.01630	3.1
124.61863	2.8
125.02362	24.9
135.00887	2.9
148.75862	2.8
151.00322	73.3
151.03877	4.8
161.02393	5.0
163.00285	4.7
164.01015	3.9
169.01378	25.6
177.01891	3.3
178.99831	100.0
180.00150	6.1
203.03456	4.0
243.02985	5.9
259.02454	5.4
268.03900	3.5
269.04590	13.5
271.02484	18.2
287.01947	7.5
287.91443	2.7
289.07135	4.6
299.01968	5.6
301.00009	16.3
301.03024	3.5
314.98074	3.5
315.01474	49.1
329.97098	2.9
447.09436	6.5
577.15851	7.1
612.46362	3.1
673.21857	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	759.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88053	0.5
59.01263	2.8
69.62514	0.4
69.93372	2.3
71.01263	2.8
73.02827	0.7
78.46037	0.4
78.95798	0.9
81.03373	0.5
83.04935	3.3
85.02838	0.9
87.00790	1.1
89.02349	1.3
95.04946	0.6
98.20451	0.7
101.02345	2.2
113.02359	0.9
115.18501	0.5
120.66515	0.4
125.07516	0.4
144.39738	0.5
145.04965	0.8
147.11790	1.0
161.04492	1.5
163.11203	1.8
163.20445	0.4
165.12711	1.6
199.13358	0.7
199.66737	0.5
200.13702	0.9
209.11824	62.5
210.12091	3.2
227.12898	8.8
228.13127	0.7
235.08282	6.3
238.45667	0.5
253.09389	7.1
253.21767	100.0
254.22110	8.1
277.21701	1.4
278.22079	0.6
368.80682	0.5
445.20917	1.0
489.30786	2.1
530.51013	0.5
633.68115	0.5
759.39807	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.3
71.01266	2.0
73.02820	0.9
78.95775	0.9
80.02577	1.1
83.01299	0.7
83.04906	2.1
87.00777	1.1
89.02358	1.6
101.02345	2.5
113.02336	1.1
125.45818	0.6
125.65770	0.7
161.04518	1.3
163.11238	2.0
165.12810	1.1
177.80701	0.7
209.11835	57.7
210.12144	4.0
227.12912	6.8
235.08273	6.1
235.72746	0.7
253.09322	6.9
253.21768	1.0
255.23346	100.0
256.23706	8.9
387.74310	0.7
445.21198	1.4
491.32593	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00203	1.1
57.03342	0.4
58.00471	0.5
59.01268	7.2
61.98674	0.4
68.82628	0.3
69.03371	0.3
70.31942	0.9
71.01270	100.0
72.01598	1.4
73.02833	1.3
78.95805	0.9
80.78641	0.3
81.03366	0.3
85.02854	1.5
87.00771	1.1
89.02348	1.9
89.02811	0.3
95.01288	0.6
97.02837	0.7
98.20215	0.7
99.00794	0.8
101.02350	3.9
109.06503	3.5
113.02365	1.8
115.00198	0.3
119.03427	0.4
123.08053	0.5
125.06016	0.4
125.09631	1.4
127.11192	1.7
131.15364	0.3
135.08066	0.6
137.09656	0.6
143.03418	0.3
145.04984	0.3
152.99509	0.4
153.09108	0.5
155.10699	0.7
161.04529	1.5
163.11301	2.0
164.76952	0.3
166.33145	0.3
171.10225	71.9
172.10564	3.5
181.08641	0.7
181.12283	1.1
185.11873	0.4
197.11978	0.4
199.09737	8.0
199.13416	1.1
200.10023	0.4
201.11307	6.6
202.11665	0.4
207.10249	10.3
208.10718	0.4
215.12894	0.6
217.10892	0.3
220.37920	0.3
225.11331	8.0
226.11601	0.4
233.22884	0.4
235.08249	3.9
243.12425	0.9
247.59712	0.4
253.09326	9.1
254.09511	0.5
264.65839	0.3
277.21783	76.9
278.22141	8.6
347.51114	0.3
407.19229	0.4
435.18805	1.3
443.19406	0.9
461.20398	1.5
462.20389	0.3
479.21594	0.5
721.41760	2.7
722.42419	0.9
739.42645	0.8
757.43872	5.8
758.43762	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00198	0.7
59.01266	7.4
71.01272	70.3
72.01627	0.8
73.02834	2.2
78.95798	1.1
83.04910	0.9
85.02850	1.6
87.00782	1.2
89.02306	2.1
97.02850	1.1
101.02338	4.4
109.06483	3.6
113.02371	1.4
119.03484	0.7
125.09660	2.0
127.11201	1.6
135.08115	0.6
145.04999	1.3
155.10759	0.6
159.79663	0.6
161.04445	1.2
163.11215	2.8
171.10223	39.8
172.10612	2.0
181.08646	1.6
181.12303	2.0
196.82899	0.7
199.09732	8.8
199.13353	1.0
201.11325	5.9
202.11591	0.7
207.10255	10.7
208.10435	0.7
225.11320	7.8
226.11818	0.8
235.08305	5.8
243.12392	1.0
253.09328	10.3
275.20221	0.8
277.21780	100.0
278.22095	9.0
283.26468	1.7
332.58871	0.8
332.67682	0.8
443.19232	1.1
461.20605	1.1
563.29468	0.8
621.46429	0.7
629.75891	0.9
695.39459	1.2
699.23505	0.8
721.41779	2.8
722.42719	1.7
739.42322	1.3
757.44110	6.1
758.44055	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99063	0.8
58.00473	1.2
59.01036	0.9
59.01266	10.8
69.37052	8.6
71.01272	96.5
71.37148	0.8
72.01614	1.3
72.95281	0.8
73.02843	2.3
78.95775	2.3
83.01258	1.2
83.04915	1.7
85.02832	1.3
87.00750	0.9
89.02342	3.4
97.02829	1.6
98.19700	1.4
99.00764	1.7
100.98684	0.8
101.02339	4.5
108.32868	1.0
109.06498	8.1
113.02365	3.1
115.12322	0.8
118.96406	0.8
125.02377	0.9
125.06058	1.0
125.09623	3.1
127.11267	4.3
129.42491	0.8
135.08151	0.8
137.09616	2.4
152.99548	0.9
153.09126	1.0
155.10719	1.7
161.04463	1.2
163.11212	6.1
171.10225	100.0
172.10605	4.2
181.08632	1.8
181.12360	1.7
189.09108	1.0
199.09756	22.4
199.13368	2.0
200.10089	1.4
201.11307	18.2
207.10252	24.2
208.10452	1.0
209.11780	1.1
225.09250	1.2
225.11337	15.9
226.11572	1.9
235.08154	2.4
243.12369	1.6
253.09335	13.0
277.21796	75.3
278.22162	7.4
407.19711	1.1
435.18665	5.6
443.19189	1.5
461.20465	4.6
475.46948	0.9
479.21210	1.1
695.39697	1.7
721.41718	5.2
722.41901	1.2
739.42932	2.3
757.43781	11.1
758.44049	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	757.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00203	0.6
56.01850	0.5
57.03329	0.9
58.00504	0.7
59.01263	11.1
59.93100	0.6
61.98723	1.5
69.03342	0.7
70.72845	1.6
71.01272	98.4
71.11799	0.4
72.01596	1.4
73.02851	2.6
78.95796	2.0
81.03334	0.7
83.01271	0.9
83.04942	0.6
85.02860	1.6
87.00779	1.3
89.02338	4.0
91.03905	0.5
96.95926	1.6
97.02879	1.0
99.00786	1.7
101.02333	5.7
109.06511	8.8
113.02364	2.7
119.03422	1.4
123.08098	0.7
125.02372	1.0
125.09650	3.3
127.11211	3.4
135.08052	1.3
137.09647	1.1
151.90082	0.5
152.99525	1.6
153.09161	1.0
155.10715	1.9
161.04553	1.3
161.09634	0.8
163.11244	4.8
171.10228	100.0
172.10590	4.8
179.05565	1.5
181.08609	1.2
181.12323	2.4
185.11751	0.8
189.09192	0.8
197.11885	0.8
198.26384	0.5
199.09743	19.9
199.13396	1.5
200.09984	0.8
201.11302	18.7
202.11693	1.2
207.10251	25.1
208.10616	2.0
215.12862	0.9
217.10735	0.9
225.11327	16.7
226.11723	0.7
235.08237	2.8
243.12433	1.6
253.09332	12.7
254.09570	0.8
259.20706	0.5
277.21780	78.4
278.22141	7.3
407.19235	1.2
415.32672	0.7
417.17706	0.8
435.18704	4.0
443.19232	0.9
444.19464	0.5
461.20450	4.9
462.20969	0.9
479.21240	0.8
695.40076	1.2
721.41699	4.3
722.42432	2.1
739.42670	1.3
757.43927	11.3
758.43927	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	757.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01783	0.9
57.03333	2.3
59.00993	0.7
59.01267	10.2
60.73798	0.5
63.62893	0.6
67.06892	0.5
67.71534	0.5
69.03350	1.0
71.01266	12.1
71.56995	1.0
72.99200	2.1
73.02843	4.8
75.00780	1.6
78.30685	0.6
81.06982	0.8
83.01304	0.8
83.04908	0.9
85.02848	9.4
87.00778	1.2
87.04416	2.1
89.02345	5.0
95.01284	5.0
95.04925	0.5
96.95919	2.7
97.02850	1.6
97.06508	1.2
99.00789	0.6
99.04456	0.9
101.02331	4.4
107.01272	0.7
107.04915	1.3
107.08598	0.8
109.02843	1.0
109.06483	2.7
110.61747	0.5
111.00739	0.6
111.04385	1.4
113.02356	24.3
113.06033	0.5
119.03413	2.1
119.04950	0.8
123.00772	1.0
123.04452	1.5
125.02380	8.3
125.05997	3.0
126.02754	0.9
127.19730	0.6
130.99861	0.5
131.03392	0.6
133.06592	0.6
133.10179	2.7
135.08096	2.1
135.11731	13.9
137.02362	1.9
139.00247	1.2
143.03444	1.4
149.02332	1.0
151.03952	1.2
154.19778	0.5
159.08098	3.5
159.11702	3.7
161.02405	1.5
161.04503	6.9
161.09677	10.6
163.03896	0.8
169.01357	5.2
170.01878	0.6
175.11218	1.2
177.01920	1.0
177.09277	0.6
177.12828	6.3
179.10739	94.6
180.11078	4.8
189.12895	1.1
191.05582	0.7
191.10764	0.7
193.12302	2.8
194.12952	1.1
203.10851	3.5
205.05376	0.6
205.08708	5.3
205.12422	0.6
207.13794	0.7
221.11826	11.5
222.12103	0.8
223.09766	100.0
224.10121	7.6
237.11261	1.1
240.06956	0.6
245.00946	0.7
247.02573	0.9
251.13048	1.9
262.50702	0.6
265.10867	18.3
266.11057	1.2
273.00455	0.8
277.10794	0.9
281.13913	0.9
289.07217	2.2
290.07492	0.8
295.11850	4.8
299.99173	0.7
301.00031	3.0
302.00388	1.1
313.05893	0.8
325.13004	8.7
341.16162	0.6
341.20142	0.8
385.15079	15.9
385.19070	3.0
386.15353	2.1
407.07541	0.8
605.13995	1.2
606.56207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93306	1.1
59.01255	6.3
59.02048	1.2
61.98715	16.8
64.77656	1.2
69.99104	1.2
70.67696	2.7
71.01270	21.6
73.02835	2.6
73.41528	1.0
78.95815	1.3
80.02608	1.0
81.03364	1.1
82.95319	1.9
83.01283	2.0
83.04921	4.6
85.02865	2.5
88.98688	3.0
89.02333	2.3
94.71088	1.0
95.01298	1.4
95.04877	1.5
96.95911	6.6
97.02850	3.2
98.95506	2.0
99.00772	5.2
101.02338	5.7
109.06494	9.5
109.08149	1.1
110.03653	1.7
111.04416	1.7
113.02369	3.1
118.42563	1.2
123.04432	1.7
125.02354	5.3
125.09624	3.5
135.08128	2.2
137.02368	2.3
145.02896	1.9
157.47792	1.2
161.02313	1.4
161.04471	1.8
163.11246	13.3
165.01906	2.2
165.12804	1.9
169.01408	4.0
171.10251	6.9
178.40627	1.1
181.12314	8.4
185.11842	2.3
193.05136	1.4
198.79503	1.2
199.13393	4.6
201.11272	2.4
207.10257	44.8
208.10611	1.7
209.11823	100.0
210.12119	5.6
225.11333	43.1
226.11789	1.9
227.12875	21.7
231.15964	1.6
235.08278	3.4
243.12444	9.1
249.11263	1.6
253.09283	13.9
271.06204	1.3
275.15311	1.2
289.07425	2.2
379.92685	1.1
386.68225	1.1
399.21802	2.1
417.22922	3.1
443.19467	1.9
445.20926	1.3
461.20490	14.0
462.20636	1.4
479.21539	5.7
635.30695	3.7
653.31262	5.6
654.31451	1.4
671.33093	12.3
672.33258	3.9
689.34167	17.3
690.34387	2.5
721.36554	8.3
722.35889	1.8
757.34149	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	756.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41057	0.5
57.03334	0.8
59.01263	1.0
66.40938	0.4
67.01781	1.1
68.99712	1.0
69.03342	2.0
69.66049	1.8
69.66483	1.7
71.01270	3.8
72.99210	1.0
76.85664	0.5
78.95788	2.8
78.98474	0.5
79.01788	2.1
79.95605	1.0
80.96413	3.5
81.03352	1.0
83.01292	1.5
85.02849	1.8
87.00796	1.5
93.03365	1.3
94.97980	1.2
95.01276	6.1
95.04929	0.7
96.95914	5.6
97.02866	2.6
99.00768	1.0
99.99104	0.5
101.02349	1.2
105.03436	0.7
107.01292	6.7
107.04939	1.2
108.02113	3.2
109.02853	1.5
110.00015	0.5
111.00783	3.1
113.02384	1.5
119.04975	1.4
119.82721	0.5
121.02857	1.6
123.00806	18.6
123.04432	1.9
124.01594	2.2
125.02371	76.7
126.02699	2.8
127.00305	1.0
135.04465	1.4
136.98756	1.6
137.02368	3.7
138.01907	16.4
138.02867	0.7
138.17203	0.5
139.00323	5.3
139.03844	0.5
140.01079	4.8
141.01891	1.9
145.02919	1.5
147.04475	1.0
148.99083	0.7
149.02380	1.4
150.03166	1.3
151.00316	5.2
151.03944	2.4
153.01854	1.5
159.04433	1.3
161.02400	4.1
161.06100	0.5
162.03136	0.7
163.00372	0.9
163.03951	1.9
164.01103	1.1
164.98567	0.6
165.01929	3.4
166.02675	0.8
166.99818	6.5
167.03462	1.7
168.00601	8.7
169.01382	100.0
170.01729	3.8
171.00630	0.7
173.02472	0.6
175.03957	1.9
176.04781	0.6
177.01868	2.9
177.05482	0.5
179.03455	6.3
181.01472	0.8
187.03998	1.2
190.02591	0.8
191.03467	3.0
193.01389	3.3
195.03036	0.7
203.03578	1.5
204.04282	0.8
205.01451	1.5
205.04959	1.2
207.02988	3.2
211.02486	7.6
215.03403	0.7
217.01524	0.6
221.00964	1.4
221.04570	2.1
223.02495	0.7
225.00752	0.8
233.04640	1.0
235.02478	3.0
241.03479	1.1
245.00912	0.8
251.05641	1.3
267.05118	0.5
273.00388	0.7
275.01932	0.6
277.03568	1.2
279.05142	3.6
289.07257	2.5
295.04590	7.3
296.05215	0.5
297.06418	0.7
301.00195	2.7
313.05725	20.3
314.06100	1.4
383.64816	0.5
403.06772	3.4
421.07684	1.5
444.75259	0.5
447.05847	7.9
448.06177	1.0
449.07489	1.6
465.06845	24.5
466.07318	3.2
470.35095	0.6
543.09686	0.5
573.09210	4.1
574.09406	1.2
578.61951	0.5
586.08441	6.7
587.09393	0.8
594.30060	0.8
603.22876	0.6
604.09601	5.8
605.10248	1.5
617.07983	59.9
618.08264	8.5
618.18915	0.6
618.22894	0.9
755.31598	3.6
756.10797	34.3
756.32324	3.1
757.11108	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	755.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40081	0.3
55.01797	0.4
57.03341	0.5
59.01271	2.7
65.57809	0.3
71.01262	2.5
73.02808	0.4
75.98492	0.3
76.76284	0.4
78.95799	1.2
80.02560	1.1
81.03362	0.8
82.41653	0.3
83.01225	0.3
83.04913	3.8
84.02042	0.5
85.02843	0.5
87.00763	1.0
89.02322	2.0
95.04922	0.9
101.02343	1.6
113.02360	1.3
119.03423	0.4
135.08131	0.5
146.91440	0.4
152.99556	0.6
161.04466	1.2
163.11237	3.6
165.12756	2.1
167.97090	0.5
186.12984	0.4
191.10744	1.0
209.11818	100.0
210.12161	6.8
227.12878	10.8
228.13232	0.8
235.08234	2.3
253.09334	8.1
259.15512	1.2
277.21780	66.9
278.22137	6.8
319.52823	0.4
354.50928	0.4
445.20886	2.0
483.59927	0.5
513.31262	0.5
717.66058	0.4
755.41833	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	755.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.8
59.01263	4.5
61.98721	35.1
69.03314	0.5
71.01265	6.3
71.27013	0.7
71.61010	0.6
71.61417	0.5
73.02829	1.3
78.95810	3.0
79.95615	1.1
80.02567	1.2
80.91568	2.4
80.96419	2.0
81.03358	1.4
83.01301	0.7
83.04922	4.6
84.02038	0.9
85.02832	1.6
87.00777	0.7
89.02328	2.3
95.04922	1.3
96.95918	8.4
96.96889	1.3
98.95449	0.6
99.00823	0.6
101.02370	3.5
102.75174	0.5
111.08085	1.3
113.02345	2.2
116.92754	0.8
118.97723	0.5
119.03428	0.7
121.10133	0.6
125.02367	1.2
125.09643	1.6
135.08119	1.0
137.09604	1.1
147.08002	0.5
161.04485	1.1
163.11252	4.3
165.12827	3.2
169.12411	0.5
171.10231	19.7
172.10616	1.0
179.05476	0.7
181.12305	0.9
185.11797	1.9
191.10764	1.2
195.13899	1.2
197.11815	1.9
199.13367	2.0
207.10266	0.7
209.11823	100.0
210.12169	5.6
211.13396	26.3
211.16402	0.6
212.13757	1.4
223.17050	1.2
225.11316	1.5
227.12898	19.1
228.13312	0.8
231.10062	1.0
233.11563	2.3
233.15294	0.8
235.08192	3.9
239.12833	0.5
247.09573	1.2
249.11188	5.4
251.16566	4.5
253.09315	11.1
265.10544	1.2
273.18637	0.9
287.22263	1.1
289.18286	0.7
290.18442	1.1
291.19736	31.4
292.20154	2.6
309.20795	10.6
310.21362	0.6
407.19162	1.3
445.20807	2.9
447.22556	1.2
463.21857	1.4
527.28937	2.5
545.29608	0.7
639.34418	0.9
655.33667	0.9
721.35132	0.6
728.53809	0.6
729.33545	0.6
755.35602	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97243	0.5
57.03329	2.1
58.00493	1.3
59.00985	0.9
59.01266	11.1
61.98716	1.0
66.25211	0.5
68.99711	0.7
69.03339	1.7
69.34890	3.0
69.35299	1.5
71.01273	52.5
72.01611	0.7
72.99198	1.0
73.02832	4.2
78.95795	0.7
80.02583	0.6
81.03352	1.8
83.01285	1.0
83.04921	3.1
85.02841	3.6
85.03267	0.6
87.00787	2.6
88.09335	0.6
89.02335	4.7
93.03344	0.7
95.01299	1.1
95.04910	2.7
96.95918	0.9
97.02863	2.8
97.06476	1.1
98.19792	0.9
99.00799	2.5
99.04408	0.7
101.02355	6.9
106.04150	0.5
109.06507	8.8
110.03669	0.8
110.82774	0.5
111.00823	1.1
111.04427	1.0
111.08070	4.6
113.02378	4.1
119.03453	1.2
121.06492	0.9
121.10152	0.8
123.08101	0.8
125.02349	1.6
125.05992	0.8
125.09653	2.5
127.11196	1.9
129.01883	0.7
135.08066	1.5
137.09604	0.9
139.07600	0.7
142.02675	0.7
143.03430	1.6
145.04974	1.2
149.09622	0.6
153.09105	1.0
155.10715	1.8
161.04530	2.9
161.09721	0.9
163.11255	10.1
164.11539	0.6
165.09137	1.4
165.11139	0.4
165.12793	1.6
167.10716	1.5
171.10229	48.0
172.10576	2.1
177.12862	0.9
179.05669	1.3
179.10730	1.8
179.14407	0.9
181.12311	3.3
183.10268	1.3
185.11789	2.8
189.09177	2.0
195.13893	9.3
196.14542	0.5
197.11859	2.4
199.09775	1.5
199.13402	1.9
201.11307	20.2
202.11635	0.7
205.12360	0.6
207.10262	29.8
208.10655	1.9
209.11826	37.4
210.12149	3.5
211.13470	4.2
212.13812	0.7
215.12878	2.2
223.13416	5.9
225.11330	36.9
226.11676	2.2
227.12910	5.8
228.13417	1.3
235.08250	6.9
243.12367	2.6
247.20715	0.8
253.09332	23.9
254.09714	1.0
256.13162	1.0
265.21863	0.6
273.18716	0.7
275.20230	9.6
276.20566	0.7
289.18378	0.5
291.19736	30.8
292.20151	3.6
293.21307	100.0
294.21637	7.9
295.10394	2.2
307.19360	0.8
309.20786	3.1
321.92673	0.5
407.19217	0.9
443.19232	2.1
459.31631	0.7
461.20404	6.5
462.20743	1.0
479.21503	1.3
501.32462	0.6
529.30505	0.9
737.41565	5.8
738.41876	2.2
755.42761	4.9
756.42059	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.424
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68378	0.1
55.01777	0.3
57.03344	0.4
58.00485	0.6
59.01262	3.6
61.78003	0.2
61.98709	1.0
69.03330	0.5
69.78048	0.3
69.78461	0.5
71.01270	3.2
71.04898	0.2
72.99199	0.2
73.02829	0.9
80.02571	0.9
81.03343	1.2
82.03783	0.2
83.01281	0.5
83.04915	4.5
84.02061	0.7
85.02829	1.0
87.00784	0.6
89.02344	2.4
93.07079	0.2
95.01282	0.5
95.04932	0.6
96.95898	0.1
97.01756	0.1
97.02888	0.3
97.06483	0.4
98.20525	0.3
99.00771	0.2
99.04382	0.2
101.02347	3.4
103.90116	0.2
109.06506	0.8
111.08067	5.8
112.08435	0.2
113.02359	2.0
113.52468	0.2
119.03416	0.6
121.85800	0.2
123.08080	0.2
125.02393	0.4
125.06021	0.5
125.09629	0.4
127.07558	0.7
127.11240	0.1
131.46513	0.1
133.04967	0.2
135.08109	0.4
143.03470	0.4
145.04996	0.4
147.11740	0.2
151.11226	0.3
153.12801	0.7
161.04517	1.7
163.11234	3.5
164.11575	0.4
165.12811	2.1
166.10771	0.1
167.10696	0.3
169.12311	2.6
171.10226	1.0
179.05576	0.6
179.10738	0.4
181.12303	1.4
183.13875	0.6
191.10722	0.8
193.12207	0.4
197.11816	30.1
198.12161	1.6
199.13390	1.9
207.10287	0.3
209.11821	100.0
210.12158	5.5
211.13402	5.4
212.13728	0.4
225.11415	0.4
227.12898	13.2
228.13232	0.7
235.08269	3.2
236.08704	0.2
247.16800	0.2
247.20839	0.2
253.09338	14.9
254.09656	0.7
263.20227	2.2
264.20462	0.2
265.18094	0.5
273.18649	0.5
291.19733	11.4
292.20035	1.0
293.21320	0.5
307.19284	0.2
309.20782	41.9
310.21133	4.0
343.25916	0.2
343.30542	0.1
433.20862	0.5
445.20776	1.6
463.22672	0.2
501.32220	0.5
519.33325	0.4
527.28442	0.2
545.29736	1.0
755.42145	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.3
57.03342	0.6
58.00476	0.7
59.00984	0.4
59.01263	4.5
61.98718	2.0
64.62461	0.2
68.06533	0.2
69.03348	0.8
70.89153	0.3
70.89515	0.6
71.01273	4.4
71.04913	0.2
72.99170	0.2
73.02837	0.8
73.17407	0.2
78.95756	0.2
80.02567	0.8
81.03323	1.3
83.01266	0.6
83.04916	5.1
84.02062	0.9
85.02846	1.2
87.00774	0.9
89.02342	2.8
91.80226	0.2
93.03321	0.3
95.01271	0.3
95.04917	0.9
96.95927	0.7
97.02835	0.7
97.06483	0.5
99.00733	0.2
101.02347	3.4
109.06510	0.7
111.08068	7.6
112.08383	0.4
113.02385	1.9
119.03402	0.8
120.01923	0.2
125.02395	0.5
125.06028	0.3
125.09656	0.3
127.07619	0.3
127.11193	0.2
135.08110	0.7
137.09630	0.3
143.03488	0.5
145.05032	0.3
151.11223	0.7
153.12813	0.3
161.04494	1.7
163.11240	4.4
165.12810	2.7
166.13214	0.3
169.12296	3.1
171.10214	2.0
179.05565	0.6
179.10732	0.3
181.12299	1.5
181.28783	0.2
183.13864	0.8
191.10754	1.3
193.12257	0.5
197.11813	39.3
198.12173	2.1
199.13359	3.0
207.10207	0.5
209.11819	100.0
210.12158	6.2
211.13391	7.8
212.13657	0.5
223.13428	0.3
225.11362	0.9
226.11575	0.3
227.12886	14.8
228.13225	0.7
235.08221	2.8
239.12947	0.4
242.83244	0.2
247.20670	0.6
250.21664	0.2
253.09326	16.6
254.09558	0.5
263.20242	2.2
265.18127	1.0
273.18631	0.7
273.45541	0.2
291.19727	16.7
292.20096	1.7
293.21271	1.4
309.20789	48.8
310.21136	4.5
325.20267	0.3
339.61346	0.2
383.03702	0.2
433.20886	0.7
445.20901	0.9
501.32089	0.6
519.33154	0.4
527.28357	0.5
541.42218	0.2
545.29572	1.2
546.30554	0.3
644.33386	0.3
697.32239	0.3
755.41339	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2063
Annotation	Quercetin 3-rhamnosyl-(1->2)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
61.18465	0.3
63.02288	0.4
65.00214	1.0
68.95065	0.3
71.56881	0.4
76.83697	0.3
83.01281	0.5
85.02858	0.3
89.46734	0.2
96.95927	0.4
97.80296	0.3
107.01302	1.4
108.02089	1.4
109.02886	0.8
121.02895	0.6
123.00806	0.5
124.01561	0.3
125.02312	1.8
134.18211	0.3
135.00786	0.6
137.02357	0.7
148.01590	1.4
149.02386	0.4
151.00325	4.5
153.01990	0.3
157.13603	0.3
161.02408	0.4
163.00299	1.4
163.03943	0.4
164.01096	0.9
165.01987	0.4
169.01355	1.3
175.04001	0.4
177.01819	0.5
178.99825	3.8
186.54691	0.3
187.04010	0.4
191.05562	0.6
199.03990	0.6
201.01993	0.3
201.38708	0.3
203.03546	0.4
209.00897	0.6
215.03494	0.6
216.04253	0.6
226.02734	1.6
227.03542	2.3
228.04146	0.4
243.03021	10.7
244.03479	1.0
247.02470	0.5
254.02324	1.8
255.03026	24.8
256.03369	2.1
271.02533	54.4
272.02991	5.9
275.01929	0.6
299.02075	3.2
300.02817	100.0
300.99924	1.8
301.03241	11.7
304.15552	0.3
330.54077	0.3
485.81000	0.3
546.08826	0.6
699.95691	0.3
755.20581	50.3
756.07452	0.6
756.20941	10.9
771.82428	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	13.3
60.01601	0.2
69.03352	0.4
71.01266	1.9
71.28493	0.5
78.95805	0.4
80.96422	0.4
83.01286	0.2
85.02839	0.5
87.00771	0.3
89.02341	1.1
101.02351	1.6
109.57587	0.2
110.06851	0.2
113.02337	1.1
119.03410	0.3
125.02463	0.2
131.04167	0.2
141.09163	0.3
148.11377	0.2
151.11183	0.3
153.09119	0.3
153.12782	1.1
161.04521	0.5
167.10519	0.2
169.12297	5.8
170.12524	0.2
175.24161	0.2
179.05624	0.4
179.10745	0.6
188.22391	0.2
197.11807	100.0
198.12135	5.5
211.13342	0.3
233.22688	0.3
235.08228	1.3
239.12970	0.2
253.09309	5.0
277.21771	46.7
278.22095	3.9
415.19702	1.0
433.20834	7.7
434.21149	0.6
466.58676	0.3
513.30731	0.3
693.42596	0.4
694.42609	0.2
724.35339	0.2
730.55499	0.2
753.40784	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.2
61.98692	0.1
71.01263	0.1
71.05023	0.1
71.05386	0.1
78.95807	0.2
79.95633	2.9
83.01276	0.3
85.02866	0.1
89.37335	0.1
93.03372	0.1
95.04945	0.1
96.95916	100.0
97.02844	0.1
97.95860	0.3
101.02370	0.1
104.45032	0.1
107.01306	0.2
107.69220	0.1
109.02865	0.3
121.02901	0.1
123.00806	0.3
123.04449	0.2
125.02375	2.6
125.03251	0.2
126.02718	0.2
137.02386	0.4
139.00293	0.1
145.44452	0.1
149.02377	0.1
150.03227	0.1
151.00160	0.1
151.03967	0.3
161.02420	0.3
163.00392	0.1
164.01125	0.2
165.01778	0.2
168.00587	0.2
169.01387	1.8
175.04123	0.1
177.01877	0.3
187.03951	0.1
191.03407	0.1
199.78481	0.1
205.04956	0.1
229.01553	0.2
245.08202	0.2
270.98923	0.1
271.06116	0.1
281.04514	0.1
289.07114	0.4
297.97665	0.2
298.98489	0.3
300.99954	0.7
302.00134	0.1
312.99991	0.4
313.05646	0.7
314.00793	0.3
328.02310	0.8
329.03033	0.4
339.66324	0.1
341.07230	0.1
343.04691	0.2
585.13916	0.2
657.11060	1.6
658.11835	0.2
756.14600	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23437	0.3
55.01775	0.4
57.03334	1.1
58.00467	0.3
58.45079	0.3
59.01265	6.1
61.98721	5.4
62.91606	0.3
65.51969	0.3
65.99095	0.2
69.03346	0.7
71.01276	5.1
72.99225	0.4
73.02837	0.9
78.87730	0.3
80.02573	1.7
81.03368	2.6
81.48990	0.3
83.01279	1.3
83.04919	5.1
84.01611	0.2
84.02074	0.8
85.02831	1.4
87.00791	0.9
89.02336	2.6
91.03925	0.4
93.03329	0.5
95.01274	0.6
95.04937	1.6
97.02856	2.1
97.06492	1.8
98.20583	0.6
99.00767	0.7
101.02352	4.3
106.04174	0.5
107.04924	0.5
109.06508	6.6
110.03670	0.4
111.08073	1.4
113.02344	2.1
119.03387	0.6
121.06537	0.7
123.04437	1.2
123.08067	1.0
125.02351	0.6
125.06007	0.8
125.09663	2.5
133.05049	0.3
135.08080	2.8
137.09706	1.5
137.10587	0.3
142.02614	0.4
143.03419	0.4
145.05032	0.5
151.11220	0.3
153.12813	0.3
155.41457	0.3
161.04468	1.8
161.09633	0.6
161.23831	0.3
162.40628	0.2
163.11237	9.7
164.11523	0.7
165.12787	2.7
166.28212	0.3
169.01352	0.3
169.12300	0.5
171.10211	2.7
175.11264	0.4
177.12811	0.4
179.05550	0.5
179.10750	0.7
181.12303	1.7
183.13867	0.4
185.11804	2.5
189.09203	0.5
191.09233	0.3
191.10745	1.5
191.14407	2.4
197.11815	7.0
198.12154	0.6
199.13448	0.8
203.14513	0.4
207.10263	18.4
208.10635	1.0
209.11826	100.0
210.12161	6.3
211.13374	4.2
217.15974	0.4
223.09827	0.4
225.11325	8.8
226.11731	0.7
227.12900	10.5
228.13214	1.0
229.26842	0.3
235.08223	3.6
237.11363	1.2
245.19145	5.0
246.19579	0.4
253.09334	12.0
254.09659	0.6
263.20236	1.9
265.14468	0.3
271.17056	0.9
289.18179	23.6
290.18518	2.4
291.19699	3.6
292.20078	0.4
307.19226	20.1
308.19537	2.0
309.20825	8.5
310.21091	0.7
327.19629	0.5
345.21030	0.4
401.23541	0.5
419.24243	0.3
426.22430	0.3
443.19327	1.1
445.20810	1.2
461.20374	2.5
462.20715	0.3
481.29401	0.5
499.30725	1.2
517.31531	0.6
525.27197	0.6
543.28369	0.4
637.32544	1.1
717.38507	0.4
735.39569	2.0
753.40710	7.0
754.41205	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	752.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.1
61.98719	100.0
62.98432	0.1
69.43977	0.1
70.94906	0.2
71.01268	0.1
78.95815	0.1
80.96406	0.1
81.03374	0.1
96.95933	0.2
97.02868	0.1
109.02863	0.2
121.02829	0.1
123.04465	0.2
125.02364	0.8
137.02432	0.3
151.03935	0.2
159.04442	0.1
164.01122	0.2
165.01880	0.1
168.94533	0.1
169.01399	0.1
171.10309	0.1
179.03542	0.1
203.07118	0.1
207.10275	0.1
209.11818	0.5
225.11267	0.1
245.08409	0.1
253.09340	0.1
255.29147	0.1
289.07202	0.6
290.07681	0.1
301.00040	0.1
408.42722	0.1
463.21579	0.1
525.07458	0.1
752.30133	0.1
753.31744	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45156	0.1
56.75724	0.1
59.01254	0.2
61.98718	100.0
62.98438	0.2
71.01289	0.1
71.24063	0.2
75.00750	0.1
94.97987	0.1
96.95912	0.5
118.84422	0.1
125.02386	0.2
128.03462	0.1
137.02426	0.1
142.56212	0.1
152.99568	0.1
161.02435	0.1
171.10262	0.1
185.05695	0.1
202.74329	0.1
209.11961	0.3
210.12236	0.1
211.13441	0.4
212.13853	0.2
224.75801	0.1
225.11459	0.1
245.08192	0.1
287.22366	0.2
289.07324	0.3
290.07581	0.1
401.37964	0.1
412.19217	0.1
753.34143	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	751.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40636	0.2
58.77377	0.2
59.01262	1.0
61.98715	1.2
62.33741	0.2
63.97193	0.1
65.76280	0.2
71.01251	1.2
71.62907	0.2
72.78626	0.2
72.99195	3.2
75.00766	100.0
76.01095	1.0
83.01244	0.2
85.02831	0.3
87.00774	0.3
89.02345	1.1
101.02379	0.9
113.02357	0.3
114.73661	0.2
119.03440	0.5
125.02395	0.5
143.03424	0.2
161.04503	0.2
171.10231	0.2
179.05524	0.4
209.11778	0.3
225.11478	0.4
235.08218	0.5
277.21826	2.8
278.22049	0.3
287.07898	0.3
305.09027	0.3
385.99030	0.2
397.08463	0.4
397.13602	5.5
397.18607	0.4
398.14157	0.4
415.14728	1.8
675.36475	0.3
706.09406	0.2
751.39758	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96108	2.4
69.70229	1.5
70.90526	2.0
70.90860	2.3
71.01277	6.8
78.98466	5.7
79.95637	11.1
80.96411	74.4
85.02842	3.1
87.00787	2.4
92.10768	1.3
94.97990	17.4
96.95900	1.2
97.02830	1.5
99.00745	1.7
101.02324	1.5
106.97971	2.8
122.97488	3.3
125.02370	2.0
129.01981	1.4
134.97559	6.7
136.99091	2.2
144.27008	1.2
148.99077	6.2
152.98547	6.6
164.98560	11.2
206.99664	2.8
210.29962	1.5
211.13326	2.3
211.65297	1.4
225.00742	15.6
286.60281	1.3
371.96609	1.5
493.17493	2.5
749.41669	100.0
750.41986	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	749.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03349	0.4
59.01271	3.3
60.99186	0.3
61.88801	0.3
61.98417	0.6
61.98719	9.0
69.03324	0.4
69.97063	0.7
69.97479	1.1
71.01274	3.0
72.99205	0.9
73.02840	0.7
75.00777	0.7
78.95821	0.4
80.02562	0.8
81.03355	0.7
83.01286	0.6
83.04915	2.9
84.02061	0.4
85.02823	0.6
87.00789	0.6
88.98716	1.7
89.02324	1.9
95.05019	0.3
96.95904	1.1
101.02361	2.4
109.02909	0.7
113.02362	1.4
118.43771	0.3
119.03422	0.4
123.04400	0.4
125.02370	1.5
135.08121	0.4
137.02345	0.6
151.03897	0.4
155.10715	0.4
161.04485	0.9
163.11258	1.1
165.12791	1.9
167.14381	0.7
169.01335	0.8
171.10248	0.5
179.05560	0.4
183.13895	5.5
191.10832	0.4
193.12280	1.7
193.73454	0.3
209.11830	69.7
210.12146	4.4
211.13393	100.0
212.13710	7.0
212.15567	0.5
227.12897	11.1
228.13295	0.7
235.08249	3.8
249.14946	0.4
253.09341	5.4
289.07211	1.3
291.19650	1.6
315.36795	0.3
397.13480	0.6
415.14893	0.5
429.21487	0.9
445.20929	2.4
446.21036	0.4
447.22461	10.8
448.22821	1.3
463.21497	0.4
497.04138	0.4
621.33014	1.2
622.33032	0.4
639.34137	2.0
640.34113	0.5
651.14410	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87116	0.1
59.79866	0.1
70.92132	0.3
80.29021	0.1
83.01256	0.2
89.31110	0.1
107.01260	0.3
109.02878	0.3
110.16061	0.2
117.03403	0.2
120.62527	0.1
123.00756	0.2
125.02370	0.2
129.03389	0.2
133.02853	0.3
145.02875	0.8
147.04478	0.2
151.00328	0.8
157.02814	0.7
163.03951	0.2
169.01425	0.3
173.02367	1.1
178.99855	0.5
180.82111	0.1
185.02432	1.9
189.01929	0.3
199.00504	0.2
200.01152	0.2
201.01921	2.0
202.02336	0.2
213.01936	0.3
217.01390	0.3
226.02773	0.2
226.99879	0.6
227.03661	0.2
228.00569	0.3
229.01447	3.1
230.01736	0.3
243.03030	0.4
245.00923	1.0
245.04628	0.2
254.99403	0.2
255.03032	1.1
257.00980	1.5
258.01352	0.2
271.02545	2.3
272.02911	0.6
273.00488	0.3
283.99701	2.7
299.02213	0.8
299.99191	1.9
300.02762	3.8
300.99966	100.0
302.00305	8.2
302.03381	0.3
380.58951	0.1
447.09445	5.0
448.09708	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19641	0.5
58.67978	0.4
59.01268	4.6
60.98887	0.9
60.99195	18.4
61.98713	0.9
70.85914	1.3
70.86253	0.6
71.01273	5.3
72.99213	0.6
78.95783	0.6
83.01321	0.7
85.02842	1.2
87.00772	0.7
88.98701	100.0
89.02345	2.7
93.03384	0.7
95.01291	1.0
96.95925	1.4
97.02834	0.7
101.02341	2.2
107.01306	5.5
113.02384	1.7
119.03409	0.9
121.02849	0.9
123.00804	4.3
123.04462	0.9
124.01585	1.0
125.02371	27.4
126.02718	1.3
135.04497	0.6
136.01602	0.9
137.02365	1.6
139.00333	1.9
139.03934	1.4
140.01045	1.1
145.02887	0.6
149.02391	2.1
150.03181	6.2
151.00375	3.0
151.03830	2.0
161.02428	1.3
161.04532	0.7
163.00313	0.8
164.04749	0.7
165.01904	0.6
165.05515	6.4
166.02634	1.1
166.05847	2.5
166.99814	0.6
167.03391	0.7
168.00618	1.4
169.01387	34.4
170.01674	0.7
175.04053	0.8
179.05661	0.5
180.04269	0.5
181.05081	1.3
182.05406	0.7
183.02983	1.5
184.16383	0.5
186.59544	0.6
195.06596	4.0
196.06966	1.5
209.25589	0.5
211.02504	1.5
214.76598	0.6
266.69919	0.6
269.98212	1.2
270.98990	3.3
271.01691	0.5
271.04797	1.0
275.01990	0.9
283.99585	1.0
285.00400	4.0
286.00940	0.8
287.05673	0.7
289.07291	1.2
297.97568	8.1
298.98383	8.3
299.99042	3.0
300.99924	2.6
313.00064	21.5
313.05688	30.8
314.00702	15.0
314.06186	2.0
315.01447	2.6
328.02313	20.7
329.03061	22.4
330.03452	1.6
343.04651	9.7
344.04987	0.9
371.15060	1.3
387.14670	1.1
388.14990	1.6
438.20068	0.5
491.08356	3.3
535.19836	1.3
536.20435	3.4
537.20624	0.7
584.22449	2.4
585.22913	1.5
595.16797	0.9
625.08948	0.8
632.06464	0.6
657.11145	76.2
658.11456	12.5
702.85156	0.6
747.17279	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	743.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70798	24.1
71.61881	28.5
78.95798	96.4
152.99561	37.0
211.13423	84.3
239.10674	25.9
277.21793	100.0
279.23401	26.9
281.24857	39.0
422.39929	32.9
507.40372	29.2
672.24542	31.8
743.42957	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	14.7
59.01266	1.5
61.97400	0.3
61.98719	3.5
69.03341	1.3
69.35381	0.9
69.35799	2.9
71.01283	1.3
71.38152	0.4
73.02827	0.5
81.03332	2.5
83.01271	8.6
83.04922	0.7
85.02850	0.4
88.98698	0.5
93.03353	2.3
95.01266	0.6
95.04931	3.1
96.95906	2.9
97.02868	1.1
98.03645	0.7
99.27289	0.4
101.02338	0.5
105.03354	0.6
107.01222	0.4
108.02081	0.4
109.02863	12.2
109.06519	0.8
111.00785	4.5
111.04430	0.6
113.12444	0.4
117.03372	1.9
121.02872	2.3
122.03662	0.6
123.04433	4.8
124.01606	0.5
125.02364	100.0
126.02721	3.6
131.04919	0.5
133.02882	1.0
133.06519	1.1
135.04488	1.9
135.08119	0.5
137.02373	50.1
137.09647	1.8
138.02734	1.7
139.03888	1.4
143.05011	0.8
145.02887	23.3
146.03709	3.1
149.02386	7.1
150.03204	0.6
151.03963	3.6
151.07501	0.7
155.10721	17.3
156.11066	0.6
157.06540	1.0
159.04457	12.0
159.08035	0.4
160.05055	0.9
161.02391	3.4
161.06033	9.4
162.03073	0.7
163.03931	1.2
163.11185	0.4
164.01106	0.9
165.01845	2.0
165.07051	0.4
167.03470	0.8
167.04973	0.6
169.01436	2.6
171.10265	0.5
173.06015	0.7
174.03247	0.6
175.04008	1.9
175.07579	0.5
176.01077	0.5
177.01971	0.5
179.03479	2.5
179.10889	0.4
181.06602	0.9
183.04488	3.4
183.08063	0.4
184.05125	1.1
185.02438	1.1
185.06047	7.5
185.48647	0.4
187.03967	4.9
188.04703	1.7
190.02734	0.7
191.14362	0.6
193.12439	0.5
197.06064	0.8
199.07742	1.2
199.09718	15.0
200.10109	1.1
201.05609	4.6
201.11299	1.4
202.06274	0.8
203.07115	11.8
204.07452	0.9
205.05084	2.9
207.04434	0.5
207.10229	1.1
209.06079	3.4
209.11781	2.7
210.06480	0.6
211.03999	3.0
212.04703	0.9
213.01991	1.0
221.08208	0.9
225.05490	1.9
225.11339	1.2
226.06085	0.4
227.03519	1.2
227.07111	7.4
227.12878	0.6
228.07335	0.5
229.05074	3.1
230.02200	2.2
230.05746	0.5
235.03943	0.8
237.11360	0.6
243.06668	0.9
245.08215	6.5
246.08611	0.8
251.03465	0.6
253.05086	17.6
253.09335	0.8
254.05498	1.0
256.03812	0.8
271.06174	64.2
272.06534	4.2
289.07245	32.7
290.07614	2.3
300.99850	1.0
303.12579	0.7
321.13498	8.7
322.13803	0.7
333.13492	4.5
334.13672	0.5
343.15579	1.2
409.16931	1.1
427.17682	7.3
428.17749	0.9
453.15649	2.1
467.16962	0.9
471.16684	71.0
472.17053	9.1
556.49506	0.4
593.20392	1.3
605.20453	5.4
606.20642	1.1
662.87122	0.4
699.24384	0.9
743.23547	8.4
744.23663	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	741.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
65.65888	17.9
71.33221	19.0
74.41384	17.4
78.95802	43.9
82.91250	18.6
85.91032	17.2
152.99515	33.1
255.23021	21.4
277.21793	69.6
329.32443	20.4
395.50519	22.8
505.25964	100.0
570.05750	23.4
741.47278	32.1
757.21777	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36465	0.7
73.04375	0.1
82.22685	0.1
85.02807	0.1
89.02363	0.1
95.01296	0.1
101.02305	0.1
109.02802	0.2
113.02391	0.1
117.03368	0.2
123.00761	0.1
125.02376	0.8
129.03409	0.2
133.02896	0.2
137.02367	0.2
139.00345	0.1
145.02913	0.9
147.04453	0.2
148.62155	0.1
154.80246	0.1
157.02913	0.7
161.02356	0.2
163.00356	0.2
163.03934	0.4
169.01384	1.3
173.02412	1.1
174.02725	0.1
175.04001	0.2
185.02412	2.2
186.02869	0.1
189.01913	0.3
193.01691	0.1
199.00374	0.2
200.01112	0.2
201.01918	1.9
202.02272	0.2
213.02034	0.2
217.01393	0.4
218.61250	0.1
226.99915	0.7
228.00572	0.2
229.01436	3.7
230.01750	0.3
231.86055	0.1
244.00162	0.1
245.00940	1.3
246.01193	0.1
247.02325	0.1
254.99466	0.2
257.00949	1.7
258.01218	0.1
271.99487	0.1
273.00494	0.4
275.01898	0.2
283.99689	2.5
284.99988	0.2
289.07239	0.4
299.41608	0.1
299.99216	2.4
300.99954	100.0
302.00293	8.1
359.18344	0.1
423.54477	0.3
429.54486	0.1
441.08456	0.3
580.56592	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	741.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.7
58.72789	0.6
59.01264	5.1
59.89600	0.6
61.98729	0.8
69.50244	4.0
71.01268	4.9
73.02832	1.4
78.95805	0.9
80.02551	0.7
81.03344	0.8
83.01270	0.6
83.04917	3.4
84.02086	0.7
85.02845	1.2
87.00788	1.2
89.02339	3.1
101.02358	3.2
108.58676	0.5
113.02374	2.1
119.03423	0.9
125.09670	1.7
127.11207	2.0
135.08153	0.5
145.05026	0.8
150.63196	0.5
152.99580	1.1
155.10674	0.7
161.04494	1.9
163.11244	2.9
165.09174	1.1
165.12866	1.3
169.48698	0.5
171.10269	2.4
172.10527	1.1
179.05678	0.5
181.12320	0.7
183.10208	0.7
191.10791	0.9
199.09738	0.6
201.11314	38.5
202.11671	1.5
209.11826	85.3
210.12212	4.6
226.11589	0.7
227.12907	11.7
235.08281	7.1
253.09351	13.4
254.09657	0.5
277.21786	100.0
278.22104	9.5
279.22433	0.7
405.18088	0.5
427.31876	0.5
437.20398	1.6
443.31760	0.5
444.05450	0.5
445.21014	2.2
461.33044	0.9
475.84988	0.5
505.25735	1.2
513.30762	1.4
624.29102	0.5
667.88000	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29786	0.9
58.36177	0.8
58.58408	0.9
58.82056	1.3
59.01258	1.9
61.01010	0.9
61.81883	0.8
61.98701	4.4
69.68734	6.1
70.82482	0.8
71.01237	1.1
71.78743	0.8
72.79594	0.8
83.04928	1.9
88.98701	1.5
93.51947	1.0
96.95892	3.4
101.02322	1.5
117.80593	0.9
123.04424	1.2
125.02372	2.4
135.21188	1.1
163.11252	1.6
171.10225	1.0
209.11816	100.0
210.12193	6.5
227.12895	24.9
228.13200	1.4
235.08279	2.5
253.09364	4.6
445.20917	11.4
463.22144	1.2
487.03214	1.0
503.68237	1.1
637.32312	2.7
655.34027	1.4
673.34180	2.2
709.29419	1.2
741.34845	33.7
742.34937	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	739.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.5
59.01262	4.7
60.99208	0.4
61.98705	1.3
69.03334	0.6
71.01276	5.3
72.62826	0.4
73.02817	1.2
83.01306	0.7
83.04911	1.3
85.02832	0.9
87.00787	1.2
88.40111	0.5
89.02339	3.3
91.03901	0.5
97.06502	0.7
101.02347	4.3
111.08067	4.2
113.02331	2.3
113.19283	0.5
119.03408	0.7
121.10095	0.7
121.24733	0.5
125.02384	0.8
131.28096	0.4
139.11217	0.5
143.94377	0.4
151.11247	0.9
153.12767	3.0
161.04504	1.9
163.11235	0.7
165.12779	1.6
167.14343	1.2
169.12282	1.6
171.10190	2.4
171.13824	0.5
179.05574	1.3
181.12262	1.5
183.13869	8.2
193.12376	2.3
195.13922	0.9
197.11810	23.8
198.12155	1.1
199.13364	1.7
207.10326	0.7
209.11821	16.1
211.13383	100.0
212.13710	6.2
225.11353	1.5
227.12946	3.2
235.08240	6.3
236.08420	0.7
247.20747	0.7
253.09315	13.5
254.09706	0.8
263.20184	1.2
265.18250	0.5
273.18628	0.7
275.20151	3.4
277.21747	0.9
291.19714	12.3
292.20074	1.7
293.21289	11.4
294.21637	0.8
309.20770	37.5
310.21112	3.5
355.75229	0.5
394.97357	0.5
433.20566	0.7
445.21039	0.6
447.22415	5.4
527.28766	0.7
545.29919	3.0
739.42743	2.5
743.86188	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70507	0.7
55.01774	1.3
57.03337	1.8
57.60889	0.7
58.00495	1.2
59.01265	12.3
61.98717	1.2
62.44888	0.6
69.03352	1.5
71.01270	14.5
71.04917	2.4
73.02840	3.2
75.00755	0.8
75.46655	0.7
78.95776	2.8
83.01261	1.2
83.04930	1.8
85.02847	3.0
87.00768	2.1
89.02332	6.8
89.02835	0.7
95.01271	1.4
95.04951	1.8
97.02844	4.4
97.06509	1.8
97.10948	0.6
98.20549	1.8
99.00783	9.8
101.02343	9.2
109.06509	2.8
110.03642	1.3
111.04401	1.0
111.08051	1.9
113.02364	4.0
118.96735	0.7
119.03437	1.4
119.86224	0.6
123.08072	1.1
125.02380	1.1
125.09621	4.9
127.11205	3.0
132.68001	0.6
133.05064	1.0
135.08102	1.5
136.05287	0.9
141.12697	0.8
142.02654	0.7
143.03442	0.9
145.04994	0.8
145.10199	0.7
151.11201	1.1
152.99536	0.7
153.11632	0.8
153.12746	1.2
155.14381	0.8
159.01788	0.6
161.04526	2.6
163.11223	8.8
165.12796	0.9
167.10725	0.7
169.12274	2.2
171.10225	61.3
172.10587	1.9
179.05563	1.9
179.10779	1.4
181.12314	14.0
182.12711	0.8
183.13832	4.7
185.11789	3.7
189.09190	1.3
193.12294	1.5
195.13905	2.7
197.11832	3.0
199.13373	35.9
200.13765	1.6
201.11292	2.9
207.10252	34.9
208.10593	1.1
209.11873	5.3
211.13391	39.9
212.13802	1.2
223.13419	2.1
225.11327	75.6
226.11661	3.8
227.12898	27.5
228.13336	0.9
229.14404	1.0
229.18922	0.8
235.08226	6.8
243.12404	13.4
245.13860	0.8
253.09328	17.5
254.09647	0.7
275.20248	2.4
277.21783	100.0
278.22150	9.1
291.19730	16.6
292.20209	1.3
293.21298	19.1
294.21588	0.9
407.19336	1.1
443.19266	3.0
445.20728	1.5
461.20413	11.9
463.21954	4.4
479.21503	1.3
485.32660	1.5
721.41736	6.6
722.42645	1.2
739.42877	85.2
740.43231	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	739.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.2
57.03330	0.3
59.01264	4.2
59.01567	0.2
61.41191	0.2
61.84825	0.2
61.98723	1.1
68.06352	0.2
69.03348	0.5
70.44514	0.6
71.01267	3.3
71.04916	0.3
72.99184	0.2
73.02843	0.5
76.64310	0.2
77.03381	0.2
80.02577	1.1
81.03364	1.0
83.01276	0.3
83.04919	4.1
84.02063	0.4
85.02863	1.0
87.00766	0.7
89.02343	2.6
95.01276	0.3
95.04929	0.7
96.95894	1.4
97.02877	0.2
97.06484	0.2
98.16787	0.2
98.19768	0.2
99.00793	0.2
101.02346	3.5
109.06516	0.3
111.08077	0.4
113.02357	1.8
113.09658	0.2
119.03431	0.9
121.10176	0.3
125.02401	0.3
125.06014	0.4
125.09673	0.3
135.08018	0.4
141.01720	0.2
143.03406	0.3
145.05016	0.3
147.11714	0.2
149.09683	0.2
161.04526	1.5
163.09978	0.3
163.11241	3.3
164.11575	0.2
165.12811	1.9
167.10799	0.2
171.10217	0.9
179.05550	0.5
179.14380	0.8
181.12367	0.6
191.10672	1.0
195.13887	8.0
196.14523	0.9
197.11852	0.3
199.13391	0.2
205.12383	0.7
205.15997	0.4
209.11823	100.0
210.12157	5.5
211.13370	3.0
212.13737	0.2
223.13420	5.2
224.13838	0.4
227.12901	12.4
228.13460	1.0
231.21260	0.5
235.08266	2.2
242.73643	0.2
253.09329	18.9
254.09674	0.8
256.13174	1.0
265.21805	0.4
275.20221	7.6
276.20526	0.5
289.07349	0.2
291.19650	0.5
293.21298	97.4
294.21619	7.5
309.20914	0.5
445.20874	1.4
485.32767	0.6
492.22006	0.5
503.34036	0.4
529.30328	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06477	0.1
55.01786	0.1
57.03337	0.2
58.00479	0.2
59.01265	3.4
61.98717	3.2
66.04404	0.1
69.03349	0.2
70.16157	0.6
71.01272	2.3
72.99195	0.2
73.02835	0.5
74.95539	0.1
78.95798	0.1
80.02573	1.0
81.03349	1.1
83.01255	0.3
83.04917	3.9
84.02049	0.6
85.02857	0.5
87.00778	0.4
89.02338	1.7
93.03362	0.2
95.01285	0.2
95.04912	0.6
96.95921	1.1
97.06510	0.2
98.19809	0.1
101.02342	2.5
109.06533	0.2
111.08057	0.3
113.02365	1.3
119.03421	0.4
121.10105	0.2
125.02364	0.5
125.06012	0.5
125.09648	0.3
133.04955	0.2
135.08101	0.6
139.07510	0.1
141.01675	0.9
143.03424	0.1
145.05034	0.4
151.03981	0.3
161.04498	1.3
163.11237	3.2
164.11589	0.2
165.12816	2.4
171.10240	0.5
177.12769	0.2
179.05614	0.3
179.14403	0.3
181.12286	0.6
183.10252	0.2
191.10777	0.7
192.10829	0.1
195.13904	2.7
196.14362	0.3
197.11806	0.2
199.13438	0.2
205.12343	0.2
209.11826	100.0
210.12155	5.2
211.13371	1.5
223.13403	2.4
224.13826	0.2
227.12898	11.0
228.13312	0.6
235.08247	3.2
253.09328	9.9
254.09650	0.3
256.13281	0.3
265.21698	0.2
275.20206	3.1
276.20578	0.3
289.07230	0.2
293.21301	38.7
294.21619	3.1
294.24756	0.1
309.20752	0.6
445.20801	1.6
459.35132	0.1
463.22290	0.2
503.33212	0.1
529.30164	0.3
615.66565	0.2
670.35718	0.3
739.41040	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00201	0.9
55.01782	0.6
57.03347	0.8
58.00478	1.4
59.01265	7.7
61.39962	0.4
68.99680	0.5
69.03351	0.8
71.01270	83.9
72.01603	0.8
72.99169	0.5
73.02840	3.0
78.95789	2.0
81.03346	1.0
83.01262	1.1
83.04926	1.3
85.02851	2.6
87.00757	3.1
89.02346	2.5
95.01270	1.0
95.04910	0.9
96.95882	1.2
96.96886	0.7
97.02855	3.1
99.00776	2.2
101.02345	4.9
109.06503	8.9
110.03674	0.6
111.08107	0.5
113.02362	2.9
119.03404	0.9
124.08336	0.5
125.02379	0.6
125.09650	1.9
127.11166	1.3
129.09290	0.4
133.05028	0.5
135.08096	1.2
136.05246	0.6
142.02626	0.6
143.03479	1.1
145.05020	1.5
152.99533	1.1
155.10693	0.8
157.04941	0.5
161.04488	1.3
163.11230	7.1
171.10231	16.6
179.10741	0.8
181.12326	2.8
185.11780	2.0
189.09181	1.7
195.86378	0.5
197.11824	1.1
199.09749	1.6
199.13367	1.9
201.09547	0.9
201.11305	12.4
207.10248	31.2
208.10686	2.2
209.11861	0.8
215.12901	0.6
215.21588	0.5
218.49622	0.5
225.11317	22.3
226.11647	1.1
235.08221	6.1
243.12360	1.6
253.09325	8.8
277.21777	100.0
278.22076	7.5
293.21323	0.8
295.10349	0.9
443.19254	1.7
461.20386	5.1
467.31952	0.7
513.03876	0.6
721.41864	6.1
722.42273	2.1
739.42761	9.4
740.42584	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	739.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00219	0.4
55.01773	0.4
56.90710	0.4
57.03333	0.6
58.00484	1.2
59.01263	10.2
62.79008	0.3
68.99706	0.6
69.03352	0.7
71.01269	100.0
71.60831	0.4
71.61174	0.4
72.01604	1.2
72.99202	0.6
73.02834	3.7
78.95801	2.2
80.02563	0.9
81.03346	1.6
83.01282	1.1
83.04921	2.1
84.02070	0.5
85.02477	0.3
85.02858	3.0
87.00780	1.8
89.02339	3.8
91.03896	0.5
93.03358	0.7
95.01279	0.9
95.04906	1.6
96.95856	0.4
97.02842	3.9
97.06488	0.8
99.00772	2.0
99.04427	0.3
101.02336	5.2
106.04108	0.4
107.04899	0.8
109.02895	0.9
109.06499	16.8
110.03658	1.3
110.06853	0.5
111.00783	1.0
111.04438	0.9
111.08065	0.6
113.02355	2.9
119.03404	0.8
121.06529	1.0
123.08092	0.7
125.02336	0.4
125.05974	0.6
125.09645	2.9
127.11211	2.4
132.80566	0.4
135.08083	2.0
136.05196	0.8
136.83730	0.4
137.09601	0.3
139.07590	0.7
139.11252	0.5
141.01839	0.4
142.02635	0.8
143.03421	1.5
145.10141	0.4
149.09641	0.5
149.79730	0.4
152.99513	1.2
153.09113	0.7
155.03464	0.5
155.10764	1.9
157.12334	0.5
161.04520	1.7
161.09642	1.3
163.11238	11.3
164.11551	0.4
165.09122	0.9
167.10751	0.6
171.10226	28.4
172.10558	1.4
179.05548	1.2
179.10724	0.9
181.12311	3.6
183.10214	0.8
185.11781	3.0
189.09125	2.0
197.11826	1.5
199.09747	2.4
199.13373	1.9
201.11296	22.0
202.11632	0.9
207.10248	46.4
208.10638	2.5
209.11839	0.9
211.32002	0.4
215.12971	2.1
216.78981	0.4
223.13550	0.4
225.11325	36.9
226.11620	1.9
235.08179	2.0
243.12344	3.2
253.09331	10.2
277.21774	66.5
278.19098	0.5
278.22101	6.7
293.21255	1.0
295.10373	1.1
299.15036	1.0
300.02325	0.4
407.18900	0.5
441.34167	0.6
443.19232	2.5
461.20413	11.2
461.32678	0.6
462.20685	1.0
479.21234	1.1
686.46313	0.4
721.41779	7.1
721.53400	0.6
722.42395	1.9
739.42712	8.1
739.54504	0.4
740.43445	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.7
57.03329	1.2
58.00496	1.2
59.01266	7.5
66.21613	0.7
69.96262	2.6
69.96664	1.5
70.59302	0.7
71.01278	9.3
71.04907	2.1
73.02834	1.2
75.22423	0.8
78.95798	1.5
83.01286	1.5
83.04910	1.3
85.02862	2.2
87.00768	1.2
89.02340	3.6
95.01289	1.0
95.04944	0.8
97.02869	3.3
97.06503	2.2
99.00788	10.5
101.02357	6.3
102.82348	0.8
109.06498	2.0
110.03618	0.8
111.08092	1.3
113.02367	2.9
119.03368	0.8
123.08097	1.1
125.02360	1.0
125.09656	6.7
126.54008	0.7
127.11250	1.1
127.35906	0.8
128.80540	0.9
132.44949	0.7
135.08081	1.1
142.02644	1.6
161.04498	2.5
161.09602	1.0
163.11243	8.7
171.10225	28.1
172.10651	1.5
181.12332	11.8
183.14026	1.2
189.09250	1.2
195.13890	1.5
197.11867	1.3
199.13367	13.5
201.11320	2.4
207.10278	34.0
208.10663	1.3
209.11952	1.2
211.13406	7.4
225.11343	55.0
226.11700	4.0
227.12846	4.1
235.08308	5.0
243.12402	6.8
253.09358	9.0
257.57645	0.7
275.20178	1.2
277.21793	100.0
278.22165	11.0
291.19778	8.9
293.21353	8.6
294.21896	0.8
330.42685	0.8
401.18842	0.7
443.19336	2.5
461.20480	10.8
470.28015	0.7
479.21445	1.1
531.01514	1.1
721.41949	10.6
722.42352	2.1
739.42902	78.8
740.43158	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	739.2112
Annotation	Kaempferol-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
51.86311	0.2
55.35832	0.2
57.80444	0.3
59.01276	0.4
61.80805	0.3
63.02279	0.6
65.00224	0.7
69.45344	1.6
69.45757	0.6
73.64977	0.3
75.51933	0.2
83.01272	0.7
88.26472	0.2
88.48384	0.3
91.38171	0.3
93.03356	0.5
93.12280	0.2
95.01222	0.3
107.01288	2.0
108.02075	0.3
109.02837	0.6
117.09293	0.3
120.02142	0.3
123.00797	0.2
125.02377	3.1
132.02083	1.3
135.00806	1.1
137.02391	0.6
143.04947	0.3
151.00328	3.2
152.01044	0.3
159.04439	0.3
161.02388	0.7
163.00331	1.2
164.01077	0.7
165.01909	0.3
169.01411	1.9
173.06015	0.4
177.01880	0.8
178.99817	1.3
179.03340	0.3
183.04478	0.7
187.03940	1.0
189.01901	0.3
192.00615	0.4
199.04008	0.7
200.04750	0.4
211.04063	1.5
213.05580	0.4
227.03508	40.8
228.03908	2.9
229.05032	1.8
239.03470	0.8
241.05078	0.5
255.03030	77.7
256.03531	9.2
257.04550	1.7
258.05203	0.3
281.04633	0.4
283.02597	2.5
284.03326	100.0
285.03915	17.3
286.04370	0.9
287.05505	0.4
289.07288	0.7
300.99841	0.6
327.05185	0.6
575.13898	0.9
697.17694	0.3
739.21112	76.8
740.21387	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.1
59.01023	0.1
59.01267	1.3
61.98718	100.0
67.55028	0.1
71.01269	0.8
73.02855	0.1
83.01299	0.1
83.04943	0.2
85.02859	0.2
87.00745	0.1
89.02323	0.5
96.95933	0.6
97.02865	0.1
98.19814	0.2
101.02340	0.5
113.02358	0.2
123.04451	0.1
124.61480	0.1
125.02376	0.2
127.91196	0.1
137.02405	0.1
151.03917	0.1
156.90793	0.1
161.04532	0.1
163.11237	0.3
165.05667	0.1
183.13943	0.1
195.14020	0.2
197.11990	0.1
207.10388	0.2
209.11824	6.8
210.12270	0.1
211.13400	0.8
223.13400	0.3
225.11385	0.1
227.12880	0.9
235.08279	0.5
253.09305	1.1
275.20328	0.3
277.21786	0.6
278.22180	0.4
279.22668	0.4
289.07590	0.2
289.18326	0.2
291.19818	0.4
293.21317	4.2
294.22012	0.1
309.20639	0.2
353.69205	0.1
397.13797	0.3
398.14008	0.4
399.14111	0.7
400.14536	0.3
415.40930	0.1
416.15454	0.1
417.15256	0.3
418.15704	0.1
437.35980	0.1
445.20654	0.1
480.33286	0.1
684.36145	0.1
728.11871	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	738.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	0.5
61.98718	100.0
62.98420	0.2
69.09243	0.1
70.49154	0.2
70.49537	0.2
71.01274	0.5
73.02832	0.1
73.66702	0.1
86.93369	0.1
87.00788	0.1
89.02348	0.4
101.02359	0.3
119.03432	0.1
125.02360	0.1
128.33127	0.1
209.11990	0.1
235.08136	0.1
235.47418	0.1
277.21783	0.5
278.22125	0.7
279.22531	0.3
280.22733	0.1
310.36710	0.1
397.13754	0.3
398.14072	0.5
399.13995	0.8
400.14407	0.4
415.15314	0.1
416.14920	0.1
417.15280	0.2
448.30600	0.1
518.24133	0.1
522.63641	0.1
523.19324	0.1
564.56537	0.1
613.75513	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	738.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.9
59.01257	2.4
61.98702	2.1
65.00207	0.8
67.01776	0.9
69.03332	1.6
71.01256	3.0
71.56683	0.9
72.99216	1.0
73.02825	1.0
78.95786	2.5
79.01793	0.9
83.01279	1.7
85.02832	1.3
86.19791	0.8
87.00771	4.4
95.01280	2.8
96.95933	5.0
97.02828	0.8
101.02319	1.0
103.69671	0.7
107.01305	7.7
107.04975	0.9
109.02854	3.1
111.00784	3.3
113.02348	1.0
117.03348	0.7
119.04907	0.8
121.02875	1.5
123.00809	12.7
123.04410	3.1
124.01594	2.3
125.02367	45.5
126.02677	1.7
127.00264	1.0
133.02888	1.6
135.04436	0.9
136.98752	1.5
137.02379	4.9
139.00325	4.2
139.03914	0.9
140.01122	3.4
141.01898	1.4
145.02846	1.1
149.02408	1.1
151.00343	5.3
151.03983	3.2
152.99509	3.2
153.01915	1.7
159.04416	0.8
161.02359	3.1
163.00328	1.1
163.03925	1.4
164.01028	1.5
165.01907	1.4
166.99777	1.6
167.03435	2.0
168.00609	5.6
169.01379	49.1
170.01707	1.4
175.03979	1.6
176.13387	0.7
177.01865	1.7
179.03487	1.5
181.05046	1.0
189.01907	1.1
192.84993	0.7
193.01431	1.1
203.03403	0.9
209.15459	0.9
211.02406	1.8
221.04408	0.8
229.05222	0.9
229.08704	1.3
245.08200	1.8
247.06027	0.8
271.06253	1.4
273.07727	2.2
287.09225	1.1
289.07248	7.7
290.07434	1.0
295.04572	1.0
300.99841	4.0
313.05728	3.0
333.90759	0.8
341.06622	1.6
353.74689	0.9
407.07309	0.9
435.12140	1.6
461.11459	0.8
505.20901	7.9
506.20715	0.9
523.15082	1.3
523.22046	11.5
524.22662	1.3
587.13794	7.2
675.23053	100.0
675.31989	3.8
676.23438	19.9
676.34930	1.2
738.36517	1.5
739.15308	5.8
739.27075	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	14.1
60.01586	0.1
69.34322	1.2
75.87082	0.1
79.35239	0.1
81.03346	3.7
83.04916	11.4
84.05248	0.3
86.45538	0.1
100.07579	0.2
108.04447	0.3
125.02365	0.3
125.07142	0.8
126.05521	0.3
129.76472	0.1
130.62119	0.1
137.02379	0.1
143.08208	0.3
169.01340	0.3
176.01216	0.1
207.15065	0.9
224.17709	1.9
225.16096	12.1
226.16449	0.7
242.18719	0.4
289.07272	0.2
300.99872	0.3
309.21951	0.7
324.26657	0.4
333.23010	0.5
341.29327	0.7
366.20279	0.1
367.27197	1.4
368.27563	0.2
385.28229	0.2
433.31961	1.1
450.34665	1.1
451.33002	8.4
452.33273	1.1
550.43610	0.9
551.43933	0.2
559.39795	0.5
565.44476	0.3
587.82581	0.2
593.43750	0.6
659.48755	1.8
660.49249	0.6
677.49847	100.0
678.50177	23.2
678.62549	0.3
737.51379	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.2
57.03346	0.6
58.00499	0.3
59.01263	3.4
61.98719	1.1
62.64511	0.1
69.03378	0.2
71.01269	3.0
71.04929	0.3
71.08370	0.2
72.99198	0.2
73.02843	0.5
80.02579	1.0
81.03355	0.9
83.01281	0.5
83.04919	4.5
83.05430	0.2
84.02071	0.6
85.02840	0.7
87.00772	0.6
89.02338	2.0
91.03927	0.2
93.03380	0.2
95.01308	0.3
95.04941	1.0
95.70975	0.1
96.95982	0.1
97.02861	0.4
97.06517	0.3
98.20621	0.2
99.00786	0.1
101.02347	2.7
106.04144	0.1
107.04930	0.3
109.06496	1.9
111.08073	4.5
112.08393	0.1
113.02360	1.1
113.05975	0.2
113.09650	0.2
119.03407	0.6
121.06483	0.1
123.04476	0.2
123.08056	0.2
125.02364	0.2
125.06026	0.5
125.09653	0.2
125.97552	0.1
135.08107	0.9
135.11726	0.2
137.09630	0.5
139.11185	0.2
143.03461	0.3
145.04991	0.4
147.11771	0.2
149.09608	0.2
161.04526	1.0
161.09631	0.2
163.11229	4.2
164.11517	0.2
165.12801	2.0
166.13283	0.2
167.10721	1.2
171.10228	0.6
177.12822	1.2
179.05533	0.4
179.10773	0.9
179.14290	0.2
181.12312	0.7
189.09167	0.2
191.10756	1.0
195.13889	2.9
195.15565	0.2
200.46021	0.1
203.14537	0.2
207.10254	3.7
208.10574	0.2
209.11823	100.0
210.12157	6.0
211.13414	0.5
214.52286	0.1
223.13351	0.3
225.11328	2.5
226.11728	0.2
227.12889	12.7
228.13222	0.7
233.06961	0.1
234.93021	0.1
235.08249	2.3
247.20695	0.9
253.09332	8.8
254.09685	0.2
273.18680	0.7
275.20181	0.2
289.18369	0.1
291.19724	49.7
292.20062	4.1
293.21313	3.4
294.21490	0.3
311.20151	0.2
329.21255	0.3
443.19376	0.3
444.21408	0.1
445.20880	2.1
461.20572	0.5
463.22116	0.3
483.31100	0.4
501.31952	0.2
509.27667	0.9
527.28754	1.5
576.72430	0.1
719.39929	0.8
720.40662	0.2
737.41254	1.8
738.41956	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59632	0.2
57.03331	1.0
58.00484	0.3
59.01264	5.4
59.66883	0.2
59.80225	0.2
61.98714	2.1
69.03342	0.5
71.01267	3.7
72.99197	0.3
73.02837	0.8
80.02554	1.0
81.03335	1.1
83.01288	0.7
83.04916	3.9
84.02067	0.7
85.02832	1.3
87.00764	0.6
89.02339	2.3
93.03376	0.3
95.01300	0.3
95.04936	1.2
97.02863	0.8
97.06456	0.4
99.00801	0.4
100.66537	0.2
101.02351	3.4
109.06504	2.6
111.08073	8.2
112.08421	0.2
113.02351	1.3
113.09641	0.5
116.93029	0.2
119.03395	0.4
121.06494	0.5
123.04447	0.2
125.02342	0.2
125.05991	0.3
125.09621	0.6
131.65076	0.2
135.08095	0.6
135.47084	0.2
137.09622	0.8
138.70987	0.2
141.09108	0.3
143.03456	0.4
145.05019	0.6
147.11757	0.2
149.09671	0.3
153.09032	0.2
153.12794	0.2
161.04506	1.6
163.11241	4.0
165.12767	1.6
167.10724	1.7
171.10210	0.7
177.12796	1.6
179.05595	0.4
179.10741	2.0
179.14417	0.2
180.11143	0.2
181.12305	0.6
189.09023	0.2
191.10771	0.5
194.40547	0.2
195.13892	5.8
196.14240	0.4
197.12050	0.2
203.14377	0.5
207.10272	6.4
208.10512	0.4
209.11826	73.1
210.12175	3.9
211.13394	0.8
219.17462	0.3
223.13416	0.6
225.11353	2.4
227.12894	12.9
228.13304	0.6
235.08226	3.3
247.20753	2.1
248.21132	0.2
253.09343	11.0
254.09709	0.4
271.22745	0.3
273.18610	1.5
275.20261	0.8
289.07614	0.2
291.19727	100.0
292.20050	9.7
293.21295	9.9
293.23917	0.2
294.21609	0.9
329.21313	0.7
412.77222	0.2
445.20822	0.7
461.20197	0.8
483.31287	0.5
501.32458	0.3
509.27530	0.7
520.87683	0.2
527.28699	7.7
528.28949	1.6
529.29913	0.2
531.56488	0.2
537.00867	0.2
719.40533	1.2
720.39832	0.3
737.41321	3.7
738.41467	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.8
59.01260	5.8
66.95358	0.7
69.03338	4.5
69.57746	5.2
71.01256	5.7
71.04899	1.3
73.02858	1.1
78.95809	0.9
83.04858	0.8
85.02849	1.4
87.00763	1.2
89.02316	2.0
93.73249	0.6
95.01285	1.1
98.20531	0.9
99.00803	0.7
101.02332	3.4
113.02342	1.4
119.03500	0.9
123.08042	1.8
125.02323	0.8
125.09607	1.9
150.93279	0.6
151.11179	2.7
153.12851	1.4
161.04436	1.1
161.09679	3.9
169.12286	1.8
179.10753	7.3
195.20305	0.7
196.26659	0.7
197.11813	38.4
198.12143	1.9
207.10269	0.9
223.09821	1.8
225.11353	1.2
235.08160	1.2
241.10840	2.3
253.09351	3.2
277.21771	58.5
278.22202	4.5
293.21356	0.9
345.71570	0.9
459.19077	1.0
515.83856	0.8
604.50812	0.7
719.39905	1.0
737.41302	100.0
738.41595	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.4
57.03323	0.6
59.01269	5.0
61.98714	0.5
69.03345	3.5
71.01266	4.8
71.04902	1.8
71.28523	1.2
73.02835	0.8
75.00736	0.6
78.95796	1.1
81.03323	0.5
83.01258	0.9
83.04918	0.9
84.04173	0.5
85.02846	1.0
87.00793	0.9
89.02329	2.8
89.42495	0.4
95.01243	0.5
97.02859	0.5
97.06501	0.7
101.02360	3.8
109.02868	0.6
113.02365	2.2
123.08112	0.7
125.02395	0.6
125.09643	1.5
145.89413	0.5
151.11232	1.7
152.99469	0.6
153.12787	2.0
153.65285	0.5
161.04488	1.5
161.09654	2.8
169.12280	4.8
171.10271	0.7
177.09273	0.5
179.05527	0.5
179.10730	5.9
197.11813	81.4
198.12227	4.6
205.08669	1.8
223.09671	3.2
225.11438	0.4
235.08203	1.1
241.10881	4.3
253.09283	4.3
260.63776	0.5
277.21783	34.8
278.22092	3.3
362.61523	0.5
459.18625	1.1
460.19513	0.5
477.19937	2.3
575.36017	0.6
719.40167	1.3
737.41345	100.0
738.41687	23.0
763.66309	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.4
57.03329	0.8
58.00475	1.4
59.01266	34.1
60.01599	0.6
61.98707	1.9
69.03331	2.0
70.09138	1.0
70.09544	1.7
71.01272	26.4
71.28306	0.4
72.99181	2.3
73.02832	4.1
75.00756	0.6
81.03355	1.1
83.01262	3.3
83.04890	0.5
85.02846	5.2
87.00771	5.4
89.02340	21.1
91.03918	0.6
95.01263	1.3
97.02850	5.3
99.00777	1.2
101.02342	19.1
109.02872	0.5
109.06485	1.1
111.04440	1.1
113.02354	9.4
119.03411	6.3
123.04416	0.4
125.02369	10.2
131.03410	1.5
133.05025	0.6
133.21051	0.5
139.03914	0.5
141.01865	0.7
143.03432	4.2
149.04474	1.0
161.04517	5.1
163.11235	1.2
179.05554	4.9
183.13846	0.6
185.04498	0.6
185.36482	0.4
202.89760	0.4
207.10239	2.9
209.11833	7.1
211.13358	3.3
212.13684	0.6
217.07156	1.0
219.05188	0.6
221.06667	1.5
225.11307	2.3
227.12849	0.6
235.08255	11.3
236.08540	0.7
245.06503	0.4
253.09283	4.0
263.07684	0.8
268.05084	0.4
271.22818	0.5
279.23349	80.2
280.23697	8.5
287.07748	3.0
289.17905	0.8
289.56100	0.5
291.19791	5.0
292.20193	0.6
293.21353	3.9
305.08841	3.7
307.19168	0.9
319.01486	0.4
323.09882	1.3
397.13586	100.0
398.13879	8.7
415.14661	31.7
416.14819	2.1
461.20645	0.5
662.96484	0.6
677.38025	3.4
737.41248	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	737.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01003	0.3
57.03331	0.7
57.22416	0.3
59.01251	1.9
61.98718	4.1
63.92902	0.3
63.96124	1.4
64.28798	0.4
69.03348	1.0
69.33872	0.4
69.34274	3.4
70.38029	0.3
71.01265	8.0
72.99188	0.6
73.02840	1.9
78.95798	1.5
78.98481	7.1
79.95623	15.0
79.96097	0.8
80.96407	81.7
81.03341	1.5
83.01270	0.8
83.04905	0.5
85.02834	3.0
87.00757	3.1
89.02329	0.9
94.97980	19.0
95.01300	0.6
96.95914	3.0
97.02858	2.7
98.20618	0.6
99.00787	1.0
101.02338	3.0
106.97990	3.7
109.02853	1.0
111.00803	0.4
113.02351	0.6
119.04937	0.4
122.97491	4.1
123.00767	0.7
123.04433	0.7
125.02370	7.4
127.03942	1.2
134.97496	5.2
136.99062	2.2
137.02411	0.8
139.00267	0.4
145.02904	0.7
148.99084	7.3
149.02316	0.7
150.03162	0.4
151.03889	0.7
152.98573	7.2
152.99701	0.7
161.02386	0.6
163.11200	0.7
164.98573	13.9
165.05510	0.7
165.12776	0.9
167.00024	0.6
169.01344	2.2
169.12251	0.5
171.10204	0.6
197.11803	0.5
203.07071	0.5
206.99654	3.8
209.11804	10.7
210.12135	1.8
225.00740	28.0
226.01094	1.0
227.12871	1.0
229.01480	0.4
241.14403	0.6
245.08055	0.5
258.70499	0.4
262.01752	0.4
275.01941	0.6
283.05106	0.8
289.07263	1.6
301.00043	1.0
367.82877	0.4
509.17004	4.9
592.27002	0.5
634.09192	0.4
662.33844	0.5
663.33508	2.2
677.35315	0.5
737.30725	100.0
738.31055	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	737.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	0.5
61.98742	0.2
62.68514	0.2
63.16593	0.2
65.00222	0.5
65.91270	0.2
67.01801	0.4
71.01266	0.4
75.67154	0.2
78.95834	0.3
83.01292	0.4
93.03381	0.5
95.01289	1.3
96.95941	0.3
97.02897	0.4
107.01292	1.4
109.02863	0.7
111.00745	0.3
112.08222	0.2
113.02346	0.3
117.03408	0.5
119.04959	0.6
121.02879	3.0
123.00811	3.6
123.04439	0.6
124.01614	0.4
125.02374	5.8
125.03246	0.4
126.02744	0.2
129.03398	0.5
133.02902	0.7
135.04453	0.8
137.02374	0.7
138.03093	0.2
139.00307	0.5
145.02917	1.8
147.04488	1.3
149.02415	0.6
151.00311	3.0
151.03946	0.4
152.59547	0.2
153.01897	0.2
157.02898	1.0
158.03726	0.4
159.04482	1.1
161.02415	1.3
163.00354	0.6
163.04018	1.1
164.01115	0.5
164.04721	0.3
165.01967	0.7
166.99915	0.4
167.03400	0.2
168.00594	0.5
169.01404	4.6
170.01741	0.3
173.02377	2.1
174.03079	0.4
175.03975	1.8
177.01892	1.1
178.99870	0.6
179.03511	0.3
185.02425	3.3
187.04016	0.5
189.01923	1.2
190.02638	0.8
190.99889	0.3
191.03494	2.3
192.44173	0.2
193.01387	0.4
199.00281	0.2
200.01193	0.5
201.01927	3.4
203.03479	2.8
205.01451	0.5
211.02414	0.3
213.01939	0.7
217.01439	1.8
218.02058	0.3
219.02971	1.0
221.00705	0.3
221.04642	0.4
225.05742	0.2
226.99942	0.4
227.03572	0.3
228.00566	0.5
229.01450	6.5
229.05009	0.3
230.02011	0.9
231.02997	2.7
232.03391	0.4
240.00545	0.2
244.00278	0.2
245.00946	3.8
246.01471	0.5
247.02472	2.1
248.03311	2.8
249.04059	3.5
250.04420	0.3
254.99359	0.2
257.00949	4.7
258.01593	1.4
259.02399	0.4
271.06287	0.3
271.99600	0.3
273.00464	2.8
273.03641	0.3
274.01190	1.7
275.02051	7.7
276.02432	0.6
281.04575	0.3
283.99655	2.9
285.00229	0.4
289.07333	1.1
291.01566	1.5
299.95969	0.3
299.99197	4.0
300.99985	100.0
302.00327	7.2
302.03677	0.5
306.43811	0.2
313.05795	0.7
316.99301	0.3
406.26895	0.3
435.10110	0.2
445.04666	0.3
447.57910	0.2
453.14450	0.2
463.04968	0.3
465.06778	1.6
470.05637	0.2
567.08087	1.3
615.06409	0.9
737.10175	36.5
738.10522	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	736.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58649	0.1
56.61244	0.1
59.01257	0.4
61.98717	100.0
62.98397	0.1
62.99142	0.1
71.01260	0.3
78.95802	0.5
89.02339	0.1
90.97739	0.1
96.95943	0.2
98.20670	0.2
101.02385	0.1
113.02366	0.2
121.12678	0.1
125.02364	0.1
141.27092	0.1
152.99596	0.2
163.11258	0.2
171.10263	0.2
174.96825	0.1
207.10258	0.3
209.11884	0.6
211.13393	1.6
212.13773	1.0
213.14075	0.5
224.76237	0.1
225.11432	0.4
227.12985	0.4
253.09334	0.2
261.12213	0.1
277.21960	0.2
289.18039	0.2
291.19858	0.5
431.92719	0.1
736.39081	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.1
58.00505	0.1
59.01262	2.0
61.98717	100.0
62.98424	0.2
71.01274	2.0
72.01616	0.2
72.99203	0.1
73.02839	0.3
77.23518	0.1
78.12404	0.1
78.95792	0.2
83.01303	0.2
85.02865	0.3
87.00784	0.5
89.02339	1.2
90.02719	0.1
95.01300	0.2
96.95924	0.1
97.02861	0.3
98.19734	0.2
99.03802	0.1
101.02355	1.6
102.02703	0.2
109.02953	0.1
109.06510	0.1
113.02361	0.5
119.03416	0.5
125.02373	0.8
126.02779	0.1
143.03435	0.2
151.03976	0.1
161.04523	0.3
163.11261	0.1
163.97014	0.1
179.05605	0.2
191.19984	0.1
207.10333	0.3
209.11908	0.3
211.13330	0.5
212.13757	0.3
221.06769	0.1
225.11337	0.7
229.74165	0.1
235.08250	0.6
236.08598	0.1
253.09512	0.4
277.21762	2.6
278.22131	2.1
278.25027	0.2
279.23102	0.1
287.07898	0.1
289.18277	0.3
293.21475	0.4
305.08951	0.2
306.09726	0.1
397.13580	3.8
398.13947	2.7
399.14166	0.2
404.29282	0.1
415.14725	1.3
416.14929	0.8
461.20563	0.2
676.37518	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.1
61.98719	100.0
62.98417	0.2
62.99137	0.1
63.47612	0.0
69.31690	0.0
71.01241	0.1
79.95631	0.1
99.00761	0.1
125.02411	0.1
135.88765	0.0
137.02364	0.0
161.02426	0.0
169.01440	0.1
185.02254	0.0
209.11896	0.2
210.12233	0.1
227.12825	0.1
265.30988	0.0
353.42087	0.0
406.87134	0.1
673.22473	0.1
673.33423	0.1
749.62915	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95012	0.1
59.01261	0.1
61.98716	100.0
62.98403	0.2
70.76199	0.2
71.01277	0.2
78.95798	0.1
79.95645	0.1
80.96405	0.3
88.98699	0.1
93.36859	0.1
96.95944	0.2
122.44075	0.1
124.72672	0.1
125.02418	0.1
207.10309	0.1
209.11815	0.8
211.13396	0.5
225.00771	0.1
225.11382	0.1
227.12874	0.1
253.09457	0.1
255.75462	0.1
288.42145	0.1
290.07547	0.1
291.19800	0.6
321.63992	0.1
521.74878	0.1
527.29114	0.1
637.32343	0.1
655.34546	0.1
737.33862	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72986	0.1
59.01257	0.2
61.98719	100.0
62.98416	0.3
71.01292	0.2
71.42937	0.1
71.43265	0.1
78.95789	0.1
80.96441	0.4
86.46947	0.1
88.98742	0.1
96.95938	0.4
123.04430	0.1
125.02390	0.3
156.30774	0.1
164.43547	0.1
169.01338	0.1
173.09445	0.1
183.13960	0.1
197.11900	0.2
207.10219	0.2
209.11891	0.4
211.13406	0.8
223.13321	0.1
225.00804	0.2
225.11349	0.1
227.13023	0.1
245.08580	0.1
279.23584	0.2
289.07648	0.1
291.19843	0.1
313.00140	0.1
323.60184	0.1
457.87323	0.1
637.33386	0.1
679.27136	0.1
736.36871	0.1
736.49731	0.2
737.34540	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11897	0.4
55.01777	0.4
55.23050	0.3
57.03337	0.9
59.01257	1.6
67.01775	1.9
70.95464	1.0
71.01263	3.9
73.02818	0.5
79.01807	0.4
81.03353	0.6
85.02824	2.1
88.24519	0.4
89.02379	0.4
93.03358	9.8
95.01292	1.2
100.56681	0.4
101.02351	1.9
107.01288	1.9
109.02879	0.6
111.00791	1.5
111.04429	2.3
112.67362	0.4
113.02370	1.4
114.91367	0.4
119.04949	6.3
123.00804	7.0
124.01627	0.5
125.02367	16.2
136.98717	0.6
137.02365	2.7
139.00328	2.6
140.01062	1.1
141.01837	1.3
151.00314	7.3
153.01808	0.6
155.03430	1.8
161.04497	1.2
163.03967	6.0
167.03432	0.6
168.00578	2.1
169.01390	28.4
170.01721	1.4
173.04518	42.6
174.04919	1.7
179.03596	0.5
191.05592	4.0
211.02426	2.1
223.02524	0.6
241.03555	0.5
253.03532	0.6
271.04620	1.9
300.99814	0.7
302.00381	0.5
313.05716	10.4
314.06046	1.0
337.09354	14.0
338.09653	1.2
371.09763	2.2
398.10995	100.0
399.11334	9.1
476.54263	0.4
579.07324	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66386	0.6
52.90681	0.7
59.01263	1.1
62.75195	0.9
65.00224	1.0
67.01788	1.2
69.03329	2.5
69.26337	6.7
71.01263	1.9
79.01786	1.0
81.03329	0.7
82.02871	3.1
82.18291	0.7
85.02834	1.2
88.09038	0.7
95.01283	5.7
96.95924	2.3
97.02871	2.5
98.20492	1.6
99.00774	1.0
107.01302	8.1
108.91039	0.7
109.02888	1.0
111.00788	2.6
123.00805	17.1
123.04501	0.9
124.01561	2.5
125.02372	67.0
126.02667	2.5
127.00285	1.6
132.35426	0.7
136.01636	1.3
136.98750	1.5
137.02328	1.6
139.00323	4.8
140.01123	4.7
141.01846	1.7
145.02843	1.1
151.00339	3.4
151.03938	1.1
153.01822	0.8
160.04048	0.7
161.02399	2.0
163.00298	1.0
163.04012	1.6
165.01863	0.9
166.99826	8.7
168.00624	8.7
169.01390	75.6
170.01703	2.9
173.02449	0.8
177.01837	1.2
179.03438	1.4
181.01376	1.3
188.03560	0.9
189.01898	1.0
190.05054	2.0
191.03506	1.1
193.05138	0.8
205.05032	1.1
207.02911	1.5
210.01649	1.1
211.02507	4.3
223.02522	1.4
234.04085	3.3
237.04060	0.9
270.03799	1.5
271.04343	1.0
275.01794	0.7
289.07358	1.1
294.03903	0.9
295.04553	1.8
300.99988	4.1
302.00519	0.9
311.04153	0.8
313.05701	3.3
322.69589	0.8
362.08920	0.9
375.78864	0.8
378.08401	7.7
379.08691	1.0
396.09494	5.9
464.06262	1.1
465.06830	1.2
530.09650	9.7
531.09680	1.2
548.10638	16.4
549.10754	1.7
566.56244	0.8
662.47455	0.9
700.11707	100.0
701.12042	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	735.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71905	1.2
57.03341	2.3
59.01265	11.2
60.99175	1.6
61.98719	92.9
69.03340	3.3
71.01273	20.2
71.04899	1.5
71.56165	1.3
73.02840	4.0
75.00767	1.4
81.03362	2.8
83.01281	4.2
83.04921	5.6
84.02052	2.1
85.02838	3.6
87.00777	2.9
88.98680	7.4
89.02336	6.3
94.98080	1.2
95.01305	1.7
95.04922	2.5
96.95921	4.9
97.02852	4.7
97.06508	1.6
99.00786	2.4
101.02354	8.9
101.85207	1.3
109.02851	1.7
109.06496	5.3
111.00802	2.2
113.02364	5.3
115.44201	1.3
116.92765	2.2
119.03387	1.3
122.33686	1.2
123.08099	1.5
125.02381	7.6
125.09650	4.7
127.11195	3.4
129.01854	1.2
135.08086	2.2
137.02350	2.4
145.02988	1.2
150.01352	1.4
155.10760	1.4
161.04492	3.5
161.09630	2.0
162.06642	1.5
163.04039	1.1
163.11266	13.5
165.01871	1.8
165.12738	2.6
169.01370	4.8
169.12364	1.3
171.08754	2.2
171.10229	42.8
172.10556	2.1
179.05670	1.2
179.10728	3.6
181.12285	3.7
185.11868	3.9
189.09271	2.2
191.10733	2.6
197.11812	28.1
198.12276	1.6
201.11333	27.1
207.10248	36.8
208.10544	2.2
209.11826	100.0
210.12299	6.1
211.13391	14.1
215.12881	2.1
223.13341	1.9
225.11345	30.3
225.13564	1.7
226.11765	3.3
227.12872	13.4
233.92589	1.5
235.08247	6.0
239.12921	25.4
241.14481	1.8
243.12300	3.0
253.09354	21.1
271.15610	3.6
273.17151	99.9
274.17526	8.6
290.32108	1.4
295.10571	1.9
346.70181	1.3
407.19037	1.5
433.20496	1.7
443.19321	1.5
445.20975	2.3
461.20425	4.9
582.33221	1.3
717.36749	3.1
735.27246	2.1
735.38995	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	734.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	1.1
60.99189	0.5
61.98720	100.0
71.01296	0.3
71.58923	0.3
75.00768	0.5
88.98709	2.6
89.02349	0.2
96.95931	0.4
105.49706	0.1
107.91373	0.2
112.47128	0.1
123.04471	0.3
125.02367	0.6
137.02429	0.3
143.99634	0.1
151.36629	0.1
161.02415	0.2
163.11227	0.2
169.01392	0.3
171.10231	0.3
197.11818	0.7
205.05231	0.2
207.10280	0.3
209.11798	1.6
210.12303	0.3
211.13528	0.2
225.11473	0.2
227.12999	0.5
253.09482	0.3
273.17313	0.4
287.78433	0.2
298.98065	0.2
299.98279	0.3
313.00034	0.5
314.00421	0.6
315.00656	0.5
328.02444	0.6
329.02579	0.8
330.03021	0.7
343.04587	1.2
344.05020	1.2
345.05170	1.3
346.05667	0.6
353.18509	0.2
428.13986	0.2
734.33539	0.2
759.31696	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34974	0.1
59.01268	0.5
61.98719	100.0
71.01286	0.3
78.95792	0.2
82.95317	0.1
83.04925	0.2
88.98708	0.6
96.95915	0.5
101.02353	0.1
125.02387	0.7
125.69847	0.1
146.74229	0.1
169.01360	0.5
185.11728	0.2
194.57376	0.1
197.11842	0.3
199.13350	0.2
201.11275	0.4
209.11850	2.2
210.12297	0.3
211.13405	1.2
220.59134	0.1
227.12906	0.4
228.13194	0.2
229.30809	0.2
253.09299	0.2
289.07397	0.3
395.47455	0.1
443.46902	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52519	0.1
58.00497	0.3
59.01266	7.5
61.98707	0.5
62.11400	0.1
64.17153	0.1
68.10767	0.1
69.03350	0.3
71.00895	0.2
71.01271	3.4
72.99180	0.3
73.02828	0.3
81.03354	0.2
83.01278	0.2
83.04923	0.3
85.02843	0.4
87.00780	0.2
89.02344	1.0
95.01302	0.2
96.95921	0.1
97.02843	0.3
97.06491	0.1
99.00775	0.2
101.02348	1.2
109.06480	0.7
111.08060	0.1
112.67057	0.1
113.02350	0.9
119.03422	0.2
121.06515	0.2
122.86470	0.1
135.08130	0.1
137.08615	0.1
145.05023	0.3
155.10732	0.3
161.04517	0.7
163.11224	0.3
165.12791	0.3
167.10771	0.3
167.14386	0.5
171.10233	0.5
179.05592	0.4
181.12383	0.3
183.13884	5.6
184.14198	0.4
193.12341	1.7
199.09734	0.5
199.13362	0.3
201.11327	0.2
207.10258	1.4
208.10461	0.1
209.11804	0.8
211.13390	100.0
212.13742	5.5
212.15816	0.2
225.11317	1.2
227.12892	0.7
235.08270	1.9
253.09326	3.2
254.09572	0.1
373.24054	0.1
383.22562	0.2
387.25659	0.4
401.23367	0.4
405.26541	0.3
414.51138	0.1
419.24289	0.3
429.21362	2.0
430.22003	0.2
447.22446	10.0
448.22797	1.0
461.20834	0.3
586.48315	0.1
597.32861	0.3
623.34442	2.5
624.35120	0.4
637.32751	0.6
641.35669	2.4
642.35956	0.4
655.33447	0.6
656.34009	0.2
733.39105	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72483	0.4
59.01268	14.7
61.98723	2.7
67.50031	0.4
68.33414	0.5
69.03328	0.5
70.36519	0.5
71.01273	18.4
71.60584	1.0
73.02847	1.3
81.03375	0.6
83.04899	1.2
85.02865	1.1
87.00789	0.7
88.50600	0.5
89.02345	2.1
95.01256	0.6
95.04927	0.5
96.95901	0.7
97.02851	1.5
99.00758	0.6
101.02351	2.9
109.06493	4.5
113.02349	1.5
125.02379	1.2
125.09657	0.7
135.08067	0.7
137.09616	0.6
155.10638	0.7
161.02370	0.5
161.04501	1.7
163.11255	3.0
165.12885	1.0
167.14369	1.0
171.10204	3.1
181.08656	0.5
181.12289	1.3
183.13898	7.5
185.11882	0.9
189.09189	0.7
193.12312	2.1
199.09749	4.7
199.13443	1.2
201.11273	0.8
207.10242	10.0
208.10677	0.5
209.11815	7.6
211.13393	100.0
212.13736	5.6
225.11327	7.9
226.11566	0.8
227.12878	4.7
235.08252	3.2
253.09326	6.8
298.08972	0.5
373.24030	0.8
375.21780	0.7
383.22348	1.1
391.24799	0.8
401.23416	2.0
402.23282	0.9
419.24701	1.3
429.21219	0.7
443.19608	0.8
447.22476	7.6
448.22684	0.8
461.20441	2.3
498.35318	0.6
585.31775	0.5
623.24335	0.5
623.34369	1.6
636.15308	0.6
637.32336	2.9
638.33051	0.8
641.35431	0.9
655.33307	4.1
656.34064	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	24.6
60.99199	6.7
61.98717	79.0
65.58372	3.4
71.01273	39.8
71.36093	3.6
71.56128	7.0
72.99201	7.0
75.00764	14.6
78.95801	8.0
88.98707	19.1
89.02310	5.4
96.95919	10.6
97.02856	5.6
101.02359	8.2
109.02885	5.1
109.06519	9.0
123.04458	4.7
125.02381	20.8
137.02448	4.6
140.32391	3.3
150.03009	3.8
163.11243	6.8
169.01431	7.4
171.10205	15.3
177.42284	3.4
183.13869	8.0
185.11781	6.7
193.12193	4.4
199.13423	18.1
207.10205	24.2
209.11847	70.5
210.12050	4.3
211.13385	100.0
225.11411	17.2
227.12888	28.8
235.08215	5.7
253.09306	12.4
277.21750	6.2
289.07306	13.0
330.02988	4.4
401.23367	4.2
432.53870	4.6
445.20697	3.9
461.20505	7.9
602.71027	4.0
637.32574	6.1
655.33588	12.1
733.39008	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	732.347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03371	0.1
59.01257	0.3
61.98719	100.0
62.98431	0.2
71.01273	0.2
72.99202	0.4
75.00766	1.4
88.98718	0.2
96.95906	0.4
109.02861	0.1
125.02362	0.4
137.02357	0.2
137.49283	0.1
169.01437	0.3
171.10204	0.2
180.57164	0.1
207.10280	0.2
209.11823	1.4
210.12137	0.4
211.13512	0.7
223.13490	0.1
225.11328	0.2
227.12953	0.2
289.07315	0.2
318.91867	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	731.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26859	1.3
55.01768	1.2
57.03323	1.8
59.01269	18.3
59.96669	1.3
61.98721	41.4
68.33295	1.2
69.41358	4.5
69.41785	6.9
71.01268	8.1
71.16192	1.3
72.99213	1.6
73.02845	2.2
73.76182	1.0
75.00769	2.2
75.96062	1.1
80.02579	2.0
81.03336	3.8
83.01289	1.2
83.04908	7.4
84.02032	1.6
87.00780	2.3
88.98716	2.5
89.02341	5.4
95.16553	1.4
96.95916	7.0
97.02859	6.3
99.00782	1.4
101.02341	6.4
107.04971	1.8
109.02850	1.4
109.06512	25.7
113.02346	3.3
117.03366	1.2
119.03461	2.8
121.51315	1.3
123.00801	2.2
123.04414	2.2
125.02426	6.8
125.09619	1.7
135.08070	3.8
136.05304	1.3
137.02400	1.6
139.00294	1.3
142.02681	2.0
145.02927	2.8
151.00317	1.4
151.03952	1.5
151.07628	1.7
161.04524	2.0
163.04085	1.4
163.11253	18.5
165.12794	2.5
169.01408	6.4
179.05469	1.3
181.12331	4.3
185.11766	1.6
191.10745	1.3
207.10265	62.7
208.10602	4.5
209.11827	100.0
210.12140	6.2
221.11787	1.8
225.11320	30.0
226.11713	1.5
227.12939	13.5
235.08208	4.2
249.11307	1.4
253.09282	9.5
269.98105	2.9
285.00598	6.2
297.97598	12.4
300.99802	1.6
312.96533	2.0
313.00000	28.5
314.00458	2.7
327.98676	2.6
328.02338	30.5
329.02847	3.8
343.04666	46.1
344.05029	5.1
362.99396	1.3
396.35437	1.3
399.21747	5.9
417.22891	4.7
443.19183	2.2
461.20453	12.9
569.26453	1.6
613.39856	1.3
635.30823	17.3
636.31567	2.5
653.31873	17.0
654.32172	2.9
671.33075	24.5
672.33215	5.2
731.31146	1.9
732.33191	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	731.0429
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26531	0.6
68.13841	0.8
71.58154	0.9
71.91499	0.7
74.26845	0.6
79.95638	4.1
81.82416	0.7
84.77696	0.6
90.84914	0.7
96.95919	100.0
97.04140	0.6
106.53226	0.7
109.02934	0.9
123.00777	0.9
123.04460	1.2
125.02374	6.2
126.02658	1.2
126.86510	0.6
137.02390	0.7
145.02901	0.8
161.02357	1.0
163.03905	1.2
169.01392	2.3
173.02390	1.2
175.03888	1.2
183.79521	0.6
185.02386	1.1
189.01784	1.1
203.03513	1.8
211.55946	0.7
217.01454	1.3
229.01437	2.6
231.03024	1.5
245.00923	2.5
245.08009	0.7
257.00974	2.9
273.00504	4.2
274.01346	1.4
275.02087	7.2
283.99753	0.8
287.05881	0.8
289.07339	1.1
299.99313	0.9
300.99976	42.5
302.00537	4.0
329.03232	0.9
407.07965	1.4
408.08609	1.5
409.08310	0.9
463.05304	0.8
633.07477	45.8
634.07855	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	731.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	0.2
57.03299	0.2
59.01266	17.4
59.01547	0.8
60.77656	0.2
60.83240	0.2
60.92882	0.2
61.98719	3.9
62.15905	0.2
69.03328	0.2
69.05710	0.2
70.67609	0.6
71.01234	0.3
72.99147	0.2
75.00715	0.6
85.02785	0.3
88.98673	0.3
96.95863	0.7
109.02780	0.2
125.02303	0.6
137.02335	0.3
171.10159	0.2
183.10321	0.9
197.11760	0.4
207.10246	0.6
209.11880	1.1
211.13426	0.4
225.11261	0.6
227.00023	0.2
254.99303	0.7
257.00906	0.6
269.00989	0.3
269.98129	4.2
270.98761	0.6
282.98843	0.3
283.99612	0.5
285.00491	7.2
286.00858	0.6
289.07059	0.5
297.04080	0.2
297.97614	21.0
298.98172	2.5
299.01648	0.4
311.99118	0.4
312.99966	42.5
314.00452	4.1
327.01553	0.5
328.02310	53.0
329.02872	8.5
330.03345	0.4
338.00549	0.5
341.03070	0.6
343.04657	100.0
344.04996	8.7
353.03052	1.6
356.11655	0.2
584.76526	0.2
657.18744	0.5
746.75232	0.2
762.00806	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.7
61.98718	100.0
67.23556	0.2
70.65806	0.6
70.66174	0.6
77.06496	0.3
94.67523	0.3
103.30873	0.3
161.42551	0.3
171.10226	3.8
172.10609	1.9
173.10800	0.9
234.01105	0.3
235.18314	0.3
253.21771	0.3
265.08011	0.3
267.55972	0.3
277.21988	0.8
277.66513	0.3
278.22034	1.5
279.22498	1.0
478.95200	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	0.9
61.98717	100.0
62.11427	0.2
65.81641	0.2
70.51614	0.2
70.77422	0.6
91.77168	0.2
100.66228	0.2
153.93324	0.2
171.10213	2.4
172.10551	1.6
173.10747	0.4
196.64374	0.2
209.11827	0.4
253.21866	0.8
261.98425	0.2
277.21777	1.6
278.22168	2.1
279.22391	1.2
280.22696	0.5
301.65582	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	8.4
59.56827	0.8
61.98728	8.6
63.02246	0.8
64.09784	0.8
69.03338	2.0
71.01260	5.4
71.04927	1.0
71.58723	1.2
83.01258	1.4
83.04927	3.4
85.02870	1.3
85.38932	0.8
87.00733	1.3
88.98720	1.7
89.02349	3.5
96.95911	2.9
97.02846	1.0
99.41660	0.9
101.02344	3.9
109.06525	1.0
113.02345	1.7
115.26260	0.8
116.08035	0.8
121.02872	1.0
124.73367	0.8
125.02374	3.6
125.09648	0.9
132.60864	0.8
135.08142	1.3
135.24812	0.8
151.03963	1.0
161.04503	1.6
163.11235	4.0
165.12807	2.1
167.10735	3.5
171.10211	1.6
179.10768	1.5
179.14368	3.6
191.10771	1.3
195.13892	10.0
197.11870	1.5
201.11339	3.5
205.12350	10.1
209.11835	79.8
210.12169	6.6
211.13393	3.8
223.13417	100.0
224.13770	5.9
225.11333	1.1
227.12907	16.3
235.08205	4.2
236.52695	0.9
253.09322	10.0
261.15152	1.5
289.07285	1.5
309.20737	1.5
336.50098	1.0
441.21185	1.0
445.21140	1.5
459.22577	17.1
460.22879	2.8
633.33502	1.1
635.97284	0.9
651.33777	2.1
652.45404	0.9
729.33972	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.3
57.03321	0.5
59.01266	4.7
61.98725	3.1
69.03331	0.8
71.01273	3.4
73.02824	0.7
80.02563	1.0
80.17976	0.4
80.18452	0.4
81.03343	0.8
83.01273	0.8
83.04917	4.6
84.02060	0.8
85.02848	1.3
87.00774	0.7
88.98698	1.9
89.02344	2.4
95.04932	0.6
96.95909	0.7
101.02356	2.7
111.08073	0.7
113.02356	1.4
116.92770	0.5
119.03339	0.7
125.02373	1.5
125.06010	0.6
125.09634	0.3
133.04956	0.4
137.02365	0.5
151.03966	0.7
161.04472	1.5
163.11264	3.5
163.95729	0.5
165.12799	2.4
167.10715	1.5
169.01454	0.7
171.10219	1.4
177.02000	0.4
179.05569	0.8
179.10765	0.7
179.14394	1.2
181.12251	0.9
191.10757	1.0
193.73022	0.4
195.13872	4.5
197.11836	1.5
201.11313	6.6
205.12321	4.1
206.12549	0.4
207.10220	0.4
209.11826	100.0
210.12154	5.7
211.13358	2.4
212.13919	0.4
223.13405	49.2
224.13712	2.4
226.20245	0.4
227.12903	16.4
227.15172	0.8
228.13174	0.6
235.08182	3.1
253.09335	10.4
261.14987	0.5
272.12912	0.4
289.07410	0.6
291.19962	0.6
309.20776	2.7
441.21307	0.8
445.20963	3.5
446.20703	0.7
457.28094	1.1
459.22427	4.4
463.21918	0.6
633.32507	0.8
651.33954	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.148
Annotation	Procyanidin B5 3'-O-gallate
Peak:m/z	Relative Intensity
57.03338	11.0
59.57861	0.6
67.01794	1.1
67.74177	0.5
69.03334	1.2
71.36752	0.9
78.00984	0.5
81.03350	1.9
83.01273	4.0
91.05476	0.5
91.95117	0.6
93.03389	1.5
95.01276	1.2
95.04935	1.5
96.95936	0.8
97.02852	3.4
107.01304	1.4
107.04938	1.5
108.02069	0.8
109.02862	16.3
109.03606	0.9
112.48919	0.5
117.03394	1.0
119.04968	0.7
121.02881	2.9
122.03675	0.8
122.68134	0.5
123.00819	1.6
123.03643	0.9
123.04446	9.9
124.01563	0.5
125.02368	93.1
126.02725	2.0
131.04936	1.1
133.02875	4.8
135.00806	0.7
135.04448	2.3
137.02382	19.2
138.02737	0.6
139.03952	2.0
145.02881	5.6
146.03619	1.3
149.02362	3.9
150.03181	1.2
151.03934	11.1
158.03754	0.7
159.04440	5.5
161.02391	23.0
161.05989	4.1
162.03072	1.8
163.00317	1.8
163.03995	3.8
164.01086	3.9
165.01906	3.9
166.99817	0.6
167.03455	0.9
168.00604	0.7
169.01381	24.0
170.01677	1.0
173.06085	0.8
174.03131	1.5
175.03967	10.7
175.07629	1.4
176.01073	1.0
176.04509	0.7
177.01897	10.3
178.02307	0.7
179.03477	4.3
183.04431	1.2
185.06119	2.8
187.03986	8.1
188.04703	2.1
189.01910	0.8
193.01405	2.3
193.04980	0.8
197.06020	0.8
199.03978	3.2
199.07616	1.0
201.02000	0.7
201.05579	3.5
202.06343	1.3
203.03448	1.7
203.07106	8.6
204.07480	0.8
205.01381	1.7
205.05066	5.4
209.06105	1.1
211.04030	1.3
213.01880	0.9
213.05501	1.5
214.02693	0.7
215.03439	1.3
217.01620	0.6
217.05092	3.6
219.02943	1.9
219.06609	0.6
221.08217	1.5
225.05519	1.9
227.03537	3.3
227.07137	2.2
228.04207	1.4
229.05069	3.8
231.02922	1.3
237.05515	1.2
241.05113	0.9
242.02370	0.8
243.03020	8.1
243.06795	0.9
244.03395	1.3
245.04561	8.2
245.08215	10.6
251.07268	0.7
253.05003	2.9
255.03012	12.9
256.03784	6.2
257.04434	3.5
259.06076	0.8
267.02921	0.7
269.04623	5.4
271.06158	8.9
272.06622	0.8
273.04080	3.2
281.04642	3.3
283.02545	2.3
284.03275	1.3
285.04108	5.6
287.05685	6.3
288.02924	0.8
289.07254	48.0
290.07605	4.1
297.04013	2.5
298.04587	0.6
299.05606	2.8
300.99792	1.6
301.03223	0.8
303.05103	4.1
321.07730	0.7
339.08829	2.9
363.08636	1.3
381.09891	2.6
389.06747	7.1
390.07166	0.6
407.07809	100.0
408.08197	11.5
425.08902	6.6
426.09399	0.7
433.09241	4.5
441.08325	14.9
442.08649	2.2
451.10425	19.4
452.11115	2.6
541.11523	2.6
559.09686	5.5
560.12036	0.5
577.12750	8.4
578.13611	1.7
603.11676	4.3
604.11261	1.0
670.60748	0.6
711.13721	1.8
729.14539	8.0
730.15033	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	729.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	10.0
65.03847	0.5
75.47694	0.5
80.53845	0.5
81.03342	1.5
83.01260	3.9
93.03356	1.3
95.01267	1.0
95.04935	0.8
96.20645	0.5
97.02869	2.1
99.04412	0.5
104.25809	0.6
107.01308	1.4
108.02109	0.8
109.02876	11.9
110.03207	0.7
111.00729	0.8
121.02882	2.7
122.03648	0.7
123.00848	0.8
123.04444	7.9
125.02371	78.7
126.02684	2.6
130.04282	0.5
131.04956	0.8
133.02888	3.3
135.04433	2.3
137.02383	14.5
139.03925	1.7
143.04951	0.9
145.02895	3.9
146.03552	0.8
149.02383	3.5
150.03191	0.7
151.02798	1.0
151.03944	9.7
153.82086	0.5
159.04488	4.3
161.02399	18.5
161.06033	3.5
162.03090	1.6
163.00291	1.8
163.03973	2.4
164.01115	2.8
165.01869	3.3
167.03517	1.4
169.01387	16.5
173.05969	0.6
174.03261	0.7
175.03969	7.9
176.01030	0.7
176.04243	0.7
177.01897	8.4
177.05484	0.9
179.03436	3.0
183.04465	1.4
184.04900	0.5
185.06059	2.1
187.03998	4.8
188.04750	2.1
193.01424	2.4
199.03983	3.1
201.05602	1.9
202.02869	0.6
203.03445	1.6
203.07149	6.8
205.01453	1.5
205.05034	4.3
209.06049	1.0
211.04056	2.0
212.04674	0.8
213.05577	1.3
214.02715	1.1
215.03505	1.2
217.05035	2.7
219.02971	1.9
221.08093	1.1
225.05524	1.5
227.03546	3.3
227.07217	1.8
228.04288	2.2
229.05028	3.4
229.31963	0.6
241.05074	1.0
242.02097	0.7
243.03021	8.7
244.03365	1.2
245.04553	6.9
245.08209	7.5
246.08455	1.0
247.05908	0.8
253.05165	2.1
255.02998	13.3
256.03790	7.4
257.04526	3.1
267.03113	1.1
269.04633	2.4
271.06155	7.6
272.06473	0.7
273.04077	1.8
281.04596	2.9
282.01843	0.9
283.02557	2.1
284.03452	1.3
285.04153	5.8
287.05658	6.5
288.05893	0.6
289.07242	34.2
290.07495	2.9
297.04047	2.2
297.07416	0.9
299.05783	1.9
303.05273	1.6
321.07614	0.7
331.08130	0.7
339.08707	2.7
363.08905	1.1
381.09821	1.6
389.06738	7.1
407.07803	100.0
408.08130	12.2
425.08838	4.6
433.09576	3.2
434.09869	0.9
441.08249	7.9
442.08713	1.5
451.10352	10.6
452.10779	1.8
541.11450	0.9
559.08295	7.4
560.09662	1.5
577.13898	8.4
578.13654	1.6
603.11383	3.7
605.33173	0.7
630.59210	0.6
669.73126	0.7
693.85553	0.6
729.15161	5.0
730.15344	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	11.8
64.50768	0.6
66.12538	0.6
69.03316	0.9
69.87943	2.5
69.88378	1.8
70.91759	0.6
74.68787	0.6
81.03347	1.9
81.04945	0.6
83.01282	4.4
91.86961	0.8
93.03365	1.6
97.02845	2.2
107.01281	0.9
108.02109	0.7
109.02859	13.6
111.00790	0.8
111.03383	0.6
117.03413	0.8
121.02863	2.9
123.00762	1.4
123.04433	8.2
125.02366	100.0
126.02650	3.3
131.05020	0.7
132.67230	0.7
133.02814	3.2
135.04443	3.0
137.02376	18.9
138.02838	0.8
139.03963	2.2
145.02885	3.9
146.03639	1.2
147.04453	1.3
149.02382	3.8
150.03160	1.0
151.03952	11.0
159.04474	4.9
160.05168	0.8
161.02400	24.5
161.05997	4.5
162.02965	2.2
163.00278	2.2
163.03955	2.2
164.01083	2.9
165.01891	4.0
166.99892	0.9
169.01385	23.9
170.01767	1.0
173.05994	0.9
174.03181	1.3
175.03976	8.9
175.07571	1.2
176.01147	0.8
177.01903	10.1
177.05418	1.2
178.02303	0.7
179.03433	5.0
183.04477	2.0
185.06021	1.5
187.03978	6.1
188.04668	1.9
193.01401	2.2
197.06073	1.0
199.03955	2.3
201.05531	2.8
202.06151	0.7
203.03438	1.4
203.07123	9.0
205.01390	2.4
205.05049	4.6
209.06160	1.9
211.03976	2.0
212.04712	0.8
213.05667	1.2
215.03516	1.0
217.05031	2.7
219.02988	1.8
221.08144	1.4
225.05611	1.6
227.03485	3.0
227.07158	2.6
228.04039	1.0
229.05075	2.4
231.02994	1.3
237.05693	0.9
241.05028	1.2
242.02156	0.8
243.03012	7.9
243.06580	0.9
245.04596	8.2
245.08191	11.7
246.04803	0.9
246.08403	1.0
253.05086	2.5
255.03040	9.8
256.03723	6.4
257.04507	2.5
259.06168	1.4
269.04675	4.1
270.05273	0.8
271.06186	12.1
272.06519	0.9
273.04083	3.1
281.04620	3.0
283.02478	2.6
283.05518	0.8
284.03122	1.5
285.04156	4.6
287.02606	0.5
287.05658	11.9
289.07248	61.1
290.07513	4.7
297.04099	2.8
297.07281	1.1
299.05655	3.6
303.05304	3.2
321.07571	1.1
329.06750	0.9
339.08847	3.3
363.08765	1.2
381.09744	1.8
389.06668	6.0
390.07156	1.4
391.08664	0.8
407.07803	93.0
408.08115	13.6
417.53699	0.7
425.08932	7.3
426.09396	0.8
433.09302	5.5
434.09515	1.1
435.10971	0.9
441.08414	15.6
442.08713	1.6
451.10449	19.1
452.10880	2.7
541.11047	1.2
559.08282	6.7
560.10706	0.8
563.02118	0.8
577.13879	14.6
578.13464	2.7
603.12073	4.5
604.11719	1.1
729.14886	7.3
730.14673	1.5
754.00690	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.2
56.68366	0.1
58.00489	0.2
59.01265	13.7
66.89806	0.1
69.94516	0.6
71.01266	1.2
73.02843	0.3
83.01266	0.3
85.02850	0.3
87.00798	0.2
89.02351	1.1
90.83900	0.1
93.68927	0.1
101.02346	1.3
103.09152	0.2
113.01643	0.2
113.02345	0.9
119.03429	0.3
125.09629	0.8
127.11211	1.4
133.05028	0.2
143.03485	0.2
145.04996	0.2
147.11720	0.6
153.09143	0.5
161.04478	0.5
166.27803	0.1
171.10223	100.0
172.10553	4.2
179.05521	0.2
193.08838	0.2
209.11839	0.4
210.12173	0.3
233.11797	0.2
235.08266	1.8
253.09308	4.8
263.20224	0.3
277.21777	49.9
278.22131	4.3
279.23199	0.2
339.23288	0.3
407.19287	3.6
408.19656	0.4
513.30676	0.5
623.03839	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01801	0.4
57.49384	0.2
58.68873	0.2
59.01265	21.9
69.03339	0.2
71.01260	2.1
71.05064	0.6
73.02847	0.6
74.15301	0.3
74.60725	0.2
83.01251	0.3
85.02861	0.5
87.00772	0.3
89.02324	1.3
93.37711	0.2
95.01286	0.3
101.02342	2.2
113.02367	1.0
115.30002	0.2
125.09660	0.6
127.11221	1.3
143.03442	0.2
145.05014	0.4
147.11754	1.0
153.09174	0.4
161.04533	0.9
164.54395	0.2
171.10223	87.6
172.10573	3.7
172.53027	0.2
179.05582	0.3
209.11823	0.7
210.12117	0.4
222.33810	0.2
233.22806	0.3
235.08264	3.6
236.08461	0.4
244.59578	0.2
253.09332	7.5
254.09711	0.5
259.20673	0.4
277.21786	100.0
278.22150	8.7
279.23340	0.5
280.23703	0.8
281.24310	0.5
347.77686	0.3
407.19199	0.9
440.91202	0.3
513.30835	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	727.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71659	0.4
57.03340	0.7
59.01254	0.5
64.86629	0.4
65.03846	0.8
65.38121	0.4
67.05417	0.7
70.06493	2.1
78.95805	1.1
80.96432	0.6
85.02828	1.3
93.03360	2.0
95.04939	0.8
96.82388	0.5
98.20496	0.5
106.04107	0.5
107.04938	0.9
109.02876	3.1
111.04455	0.9
119.04939	0.7
120.63134	0.4
121.06513	0.8
123.04462	1.3
123.08083	0.6
125.06033	0.9
133.06477	0.7
135.08070	0.7
137.06017	0.6
139.07617	0.8
147.11734	100.0
148.12061	4.6
149.05981	2.5
149.09674	0.6
151.07599	1.1
159.11749	1.0
161.06033	1.2
163.07507	1.0
167.07082	1.8
171.08292	0.7
173.06013	0.9
173.09671	7.4
175.07628	2.1
185.09668	3.0
187.07611	0.6
189.09270	0.8
191.10754	2.6
203.10788	2.8
205.12457	0.5
211.11092	1.0
215.07294	0.5
215.10840	1.0
216.07767	0.5
218.09216	0.4
231.10220	1.7
233.11853	8.2
239.10826	1.0
277.12494	0.8
283.13510	0.8
295.13474	2.4
295.24390	7.5
296.24734	1.2
301.14551	1.0
307.13580	1.3
308.14267	0.6
313.14490	5.1
321.22247	3.5
325.14627	2.4
331.15710	3.0
339.23410	4.3
343.15503	4.1
361.16675	2.4
381.24371	0.6
383.22473	1.0
535.27063	0.8
580.96350	0.6
727.39270	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53868	2.4
55.55054	2.9
59.01260	13.0
61.98721	31.8
66.29584	2.9
68.87351	2.3
70.15806	12.6
71.01266	4.7
72.42949	2.8
75.30492	2.8
78.95806	3.3
82.36468	2.5
83.04906	3.5
88.98708	3.6
89.02335	3.2
96.95901	6.5
98.20425	3.2
101.02363	3.6
105.66689	2.6
113.02353	3.0
123.04398	3.1
125.02378	13.7
137.02335	3.5
161.02332	3.1
161.04454	3.8
163.11128	3.4
167.05357	2.6
169.01357	5.4
205.05188	2.6
209.11832	100.0
210.12129	7.1
211.13391	99.4
212.13678	7.7
221.51060	2.9
223.13170	2.7
227.12866	23.5
253.09386	8.7
289.07303	3.3
357.26498	10.1
445.20773	15.0
447.22357	15.3
486.01358	3.3
546.90784	2.7
621.33124	3.5
639.34351	12.5
657.34882	9.0
658.37970	3.0
725.35236	70.0
726.35754	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	725.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14872	0.4
55.01787	0.3
57.31816	0.3
59.01257	1.1
65.00215	0.4
67.01780	1.8
68.99716	0.7
69.03349	2.7
71.01273	1.9
71.61676	0.7
72.99187	1.0
73.02859	0.6
74.24844	0.3
79.01772	2.3
81.03345	1.2
83.01283	1.2
85.02859	1.3
87.00769	0.5
90.57039	0.3
91.05423	0.4
93.03328	0.3
95.01283	8.5
96.95930	0.6
97.02850	4.0
99.00784	0.4
101.02336	1.0
105.03429	0.4
107.01292	22.2
107.04939	0.4
109.02872	1.2
109.10291	0.4
110.00000	0.4
111.00784	4.8
117.03377	0.7
119.04937	1.4
121.02890	0.4
123.00803	26.4
123.04487	0.5
124.01637	3.4
125.02366	96.8
126.02690	3.1
127.00333	1.6
127.33759	0.4
128.66832	0.3
133.64993	0.4
135.04433	0.7
136.98735	3.0
137.02391	1.3
138.03220	0.4
139.00296	8.3
140.01080	6.7
141.01875	3.4
145.02881	2.7
147.04463	1.1
149.02393	0.8
151.00316	5.8
151.03954	1.1
153.01883	0.7
154.99789	0.8
159.04480	0.6
159.06375	0.3
161.02353	1.2
163.03944	1.7
165.01898	0.9
165.05556	0.4
166.02704	0.7
166.99812	5.5
167.03479	0.8
168.00603	10.4
169.01373	89.7
170.01743	3.1
173.02365	0.5
175.03966	2.4
177.01901	0.8
177.05809	0.4
179.03427	1.3
181.01372	0.5
181.04950	0.5
187.04031	0.8
189.01894	0.7
190.02757	0.6
191.03510	0.9
193.01352	0.7
193.04991	1.1
203.03474	0.8
205.01360	0.7
205.05099	1.0
207.02966	0.9
211.02449	0.8
219.02977	0.6
233.04471	0.4
237.03978	0.9
245.08330	0.5
249.04105	2.2
270.08511	0.3
277.04050	0.4
286.00745	0.4
289.07153	1.5
295.04688	0.9
300.99911	0.8
307.08243	1.0
309.45505	0.4
313.05817	1.4
346.57919	0.4
385.09424	1.9
387.10855	1.7
403.10388	9.3
403.15280	0.7
404.10718	0.8
421.11465	18.0
422.11832	1.9
555.11523	22.2
556.11700	3.0
573.12579	39.5
574.12915	5.0
725.13757	100.0
726.14093	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	725.138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.2
61.98712	1.2
65.00215	0.7
67.01773	3.1
68.99698	1.2
69.03339	2.3
71.01287	2.7
72.99203	1.8
74.76878	0.4
79.01781	2.5
81.03363	1.7
83.01266	1.8
85.02859	1.4
87.00779	1.2
93.03364	0.5
95.01289	8.8
96.99181	0.6
97.02872	3.7
97.06233	0.5
100.72953	0.4
101.02348	1.2
102.77692	0.5
106.60228	0.4
107.01299	13.9
107.04907	0.6
109.02865	1.6
110.00003	1.0
111.00800	4.5
113.02299	0.6
114.81798	0.5
121.02892	0.6
123.00808	33.4
123.04434	1.1
124.01680	2.9
125.02370	100.0
126.02725	3.0
127.00291	1.9
135.04459	1.4
136.98747	2.2
137.02393	1.7
139.00308	8.2
140.01108	6.8
141.01892	3.7
145.02858	1.4
147.04500	0.6
148.79675	0.5
149.02414	1.6
149.06042	0.5
150.77284	0.5
151.00311	7.4
151.03978	1.1
153.01830	1.1
159.04536	0.7
161.02397	2.0
163.03976	1.7
164.01079	0.8
165.01926	0.9
165.05588	0.5
166.99835	8.0
167.03540	0.6
167.63618	0.5
168.00626	11.3
169.01393	99.9
170.01778	3.7
175.03975	1.6
177.01915	1.6
178.02663	0.9
179.03436	1.8
187.04063	0.7
190.02649	0.8
191.03395	0.5
193.01433	0.9
203.03470	1.0
203.07141	0.5
205.05006	0.7
206.02341	0.6
207.02968	1.3
211.02475	4.2
221.04446	0.6
237.03922	0.8
287.05713	0.9
289.07346	2.5
290.07419	0.9
295.04593	2.1
297.06262	0.9
300.99902	1.0
313.05737	2.0
324.72104	0.5
372.00366	0.5
377.12347	0.6
385.09296	2.2
387.10837	3.2
388.11139	0.6
394.38696	0.5
403.10461	13.2
404.10754	1.7
421.11539	13.6
422.11676	2.0
467.13934	0.6
551.25201	0.7
555.11584	30.4
556.11682	4.2
573.12628	59.1
574.12988	9.9
617.08069	0.7
693.47363	0.5
725.13757	90.8
726.14130	20.5
726.24420	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.5
57.03331	0.6
58.00480	0.8
59.00989	0.5
59.01265	7.5
69.03358	0.4
70.14381	0.9
71.01270	7.4
71.91055	0.3
73.02830	1.4
75.00782	0.4
75.66576	0.2
80.02569	0.9
81.03344	1.1
83.01272	1.0
83.04914	4.9
84.02059	0.4
85.02841	1.4
87.00764	1.2
89.02338	4.8
93.03375	0.3
95.01311	0.4
95.04913	0.7
99.00780	0.5
101.02354	6.4
102.02679	0.3
109.06509	0.8
111.08088	0.4
113.02371	2.7
119.03432	1.1
125.02367	0.7
125.05991	0.4
125.09624	0.4
127.07568	0.5
135.08075	0.7
143.03403	0.7
145.04970	0.7
147.11682	0.3
149.04488	0.3
155.14288	0.4
161.04520	2.5
163.11237	3.8
165.12805	2.9
167.10724	0.5
167.14438	0.5
179.05562	1.3
179.14378	0.3
181.12268	1.2
183.13870	4.7
191.10709	1.0
193.12256	1.2
195.13893	3.3
196.14450	0.4
199.13382	8.6
200.13692	0.4
205.12500	0.3
205.15991	0.3
207.10190	0.4
208.10680	0.3
209.11823	100.0
210.12151	6.4
211.13390	66.1
212.13734	4.3
223.13374	2.5
224.13741	0.2
225.11345	0.4
227.12894	34.3
228.13210	2.6
229.14474	0.3
233.22809	0.4
235.08266	6.3
245.13951	0.9
253.09335	20.1
254.09674	1.2
256.13141	0.4
275.20193	3.7
276.20456	0.4
277.21777	97.1
278.22137	9.2
293.21304	42.5
294.21594	3.4
370.90274	0.3
393.03995	0.3
443.35388	0.4
445.20703	2.5
446.21066	0.3
447.22467	3.2
463.21985	6.0
464.22308	0.6
469.33377	1.5
470.34079	0.4
487.34473	0.6
513.30872	0.4
529.29846	0.4
705.42157	0.4
708.40771	0.3
723.43085	3.7
724.43347	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.4
56.67948	0.2
57.03334	0.3
58.00487	0.3
59.01266	4.8
69.03385	0.2
71.01270	3.5
73.02847	0.8
80.02571	0.7
81.03349	0.8
83.01272	0.6
83.04917	3.6
84.02075	0.5
85.02837	1.0
87.00767	0.8
89.02348	2.2
95.01295	0.3
95.04938	0.3
97.02847	0.3
97.06455	0.2
99.00777	0.2
101.02351	3.1
109.06484	0.3
113.02384	1.6
119.03446	0.9
125.02429	0.2
125.05989	0.2
125.09658	0.2
127.07639	0.1
127.11041	0.1
135.08086	0.3
143.03413	0.3
145.04968	0.5
147.11792	0.3
157.05060	0.2
161.04527	1.1
163.11258	2.6
165.12819	1.9
172.65956	0.1
178.78053	0.2
179.05592	0.3
181.12289	0.4
191.10800	0.7
198.14792	0.1
199.13220	0.2
202.56020	0.2
209.11836	77.9
210.12178	4.5
210.14200	0.2
227.12907	9.9
228.13258	0.7
229.29559	0.2
233.22775	0.2
235.08270	5.2
248.19696	0.2
253.09338	9.2
254.09659	0.5
259.20694	0.4
275.20300	0.4
277.21790	100.0
278.22137	9.4
366.78717	0.2
445.20871	0.5
513.31012	0.4
528.00720	0.2
595.91693	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42950	0.6
70.32058	2.5
70.85153	0.7
78.95798	34.0
80.02570	1.5
81.03360	1.8
83.04917	8.3
84.02071	1.4
84.62829	0.6
87.00826	0.6
88.47110	0.6
96.96876	3.2
98.19823	0.7
109.15253	0.7
152.99536	41.5
163.11246	5.9
164.02075	0.7
165.12794	3.2
171.00624	6.0
181.12288	0.8
191.10753	1.2
209.11824	100.0
210.12160	6.2
227.03242	3.4
227.12918	9.8
228.13239	0.8
245.04288	0.8
253.21777	19.0
254.22124	1.5
259.15756	0.7
277.21860	3.9
363.12393	1.9
395.14545	1.3
437.15521	3.2
455.17081	5.8
456.17267	1.2
469.18527	0.9
487.19641	64.3
488.19934	6.3
691.38568	6.7
692.38739	1.5
723.41071	69.3
724.41486	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	723.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.2
57.03332	0.1
58.00481	0.1
59.01266	2.7
69.03368	0.1
70.75949	0.1
70.76308	0.2
71.01272	2.1
71.04910	0.1
72.99197	0.2
73.02843	0.3
80.02563	0.9
81.03347	1.2
82.03661	0.1
83.01273	0.4
83.04916	4.5
84.02074	0.6
84.05237	0.1
85.02851	0.6
87.00768	0.4
89.02343	1.7
91.03890	0.1
91.59998	0.0
93.03342	0.1
95.01289	0.2
95.04923	0.6
97.02866	0.1
97.06484	0.2
99.00800	0.1
101.02348	1.8
107.04948	0.1
109.06507	0.2
111.08067	0.1
113.02363	1.2
113.03146	0.1
113.05991	0.1
119.03431	0.4
125.02435	0.1
125.06017	0.5
125.09614	0.1
131.03503	0.1
133.04985	0.1
135.08096	0.5
143.03445	0.2
145.05017	0.1
147.03059	0.1
147.11745	0.2
149.04514	0.1
153.12706	0.1
155.14359	0.1
161.04535	0.9
163.11234	3.3
164.11528	0.3
165.12805	2.0
166.13213	0.1
179.05606	0.4
181.12325	0.7
191.10759	0.9
192.11121	0.1
199.13309	0.1
209.11824	100.0
210.12158	6.8
211.13467	0.1
227.12894	10.6
228.13231	0.7
233.22849	0.1
235.05847	0.1
235.08221	1.3
251.12987	0.1
253.09328	7.7
254.09752	0.4
259.20825	0.1
275.20200	0.1
277.21777	47.3
278.22128	4.8
278.25348	0.1
318.47467	0.1
445.20938	1.1
446.21091	0.2
463.21820	0.2
513.30670	0.1
657.26807	0.1
723.43921	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	31.0
61.86533	0.2
61.98721	4.4
71.01273	1.9
72.99205	0.8
73.02827	0.5
78.95807	0.4
80.96417	0.6
82.96062	0.2
83.01278	0.2
83.04937	0.2
83.12266	0.2
85.02863	0.6
85.48395	0.2
87.00783	0.3
88.98696	0.6
89.02329	1.0
95.01283	0.3
96.95330	0.2
96.95895	1.0
98.20669	0.4
99.00779	0.2
101.02370	1.4
109.06538	0.4
113.02367	0.9
117.38554	0.2
119.03448	1.1
119.23275	0.2
123.04455	0.3
125.02358	1.0
143.03442	0.2
151.04015	0.2
153.09193	0.5
161.04562	0.6
163.11256	0.3
164.30934	0.2
169.01328	0.3
196.64117	0.2
207.10254	0.6
209.11871	0.7
211.13445	0.4
217.82182	0.2
225.11307	0.3
395.05719	0.2
413.17709	0.2
483.31592	0.3
501.32355	100.0
502.32687	17.1
515.34045	0.8
525.32001	0.3
538.21021	0.2
543.33533	0.9
640.82678	0.2
663.37567	2.0
664.37701	0.5
723.40076	13.1
724.40503	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	723.2159
Annotation	Apigenin 7-rhamnoside-4'-rutinoside
Peak:m/z	Relative Intensity
53.69915	0.1
57.03324	0.6
59.01252	0.3
63.02280	1.4
65.00211	0.6
69.03332	0.2
70.47729	0.1
70.76981	0.3
71.01252	0.3
74.90690	0.1
75.49869	0.2
81.03342	0.4
83.01279	0.8
89.03829	0.2
93.03355	1.1
95.01284	0.2
95.04901	0.3
96.95893	0.3
97.02846	0.6
99.00780	0.2
105.03372	0.3
107.01286	1.5
109.02859	2.6
111.00808	0.2
117.03365	3.6
119.04893	0.4
121.02866	0.8
122.03624	0.2
123.00780	0.5
123.04438	1.9
125.02371	5.0
126.02704	0.3
132.02040	0.2
133.02908	1.0
135.04451	0.6
135.75569	0.2
136.98894	0.2
137.02382	3.1
139.00293	0.3
139.03925	0.5
145.02904	0.5
148.01645	0.3
149.02399	2.2
150.03101	0.3
151.00317	0.8
151.03967	1.2
157.06480	0.2
159.04460	2.0
160.05159	0.2
161.02388	6.2
161.06001	1.0
162.02934	0.5
163.00323	0.3
163.03941	0.5
164.01079	0.4
165.01895	0.8
166.02290	0.1
166.99834	0.3
168.00598	0.3
169.01376	1.7
169.06546	0.5
170.01727	0.3
171.04446	0.4
173.04550	0.3
173.05905	0.3
174.03221	0.2
175.03955	0.5
175.07578	0.3
176.01096	0.5
177.01892	4.3
178.02208	0.4
179.03427	0.5
180.05756	0.2
181.06538	0.5
182.03792	0.2
183.04482	0.8
187.03995	0.6
188.04662	0.5
189.01903	0.7
196.05313	0.3
197.06030	0.6
199.04001	0.5
201.01883	0.2
201.05568	0.7
202.06172	0.2
203.03493	0.4
203.07129	1.3
205.01418	0.3
205.05083	1.0
208.00903	0.2
211.04082	0.4
212.04671	0.2
213.05510	0.3
215.07211	0.2
216.00713	0.2
217.01363	0.3
220.62766	0.2
224.04709	0.4
225.05621	1.8
227.03596	0.8
227.07027	0.7
229.01402	0.3
229.05077	1.6
231.02905	0.2
239.03487	0.3
240.04329	0.4
241.05095	0.5
243.06628	0.3
245.04594	0.3
245.08234	2.1
246.08524	0.2
247.06146	0.2
255.06656	0.3
256.03870	0.3
257.04510	0.2
265.05228	0.2
267.03156	0.4
268.03833	7.6
269.04605	100.0
270.04935	7.0
271.06177	4.9
272.06488	0.4
279.06549	0.2
281.04523	0.8
282.05396	0.2
283.06189	0.6
287.05801	0.2
289.07248	8.2
290.07703	0.5
293.04547	0.3
295.06345	0.2
297.07681	0.2
299.05676	0.4
301.00067	0.4
310.04837	0.2
311.05658	0.7
321.04053	0.5
321.07855	0.5
323.05563	0.4
333.08051	0.2
335.05655	0.2
339.05075	0.6
341.06738	0.4
375.08533	0.2
381.10400	0.2
401.06735	0.2
409.09589	0.2
415.08282	0.4
419.07645	0.9
433.09274	2.0
435.10968	0.3
451.10376	1.6
459.07339	0.5
527.13617	0.2
553.11646	1.8
554.12085	0.4
559.12872	0.2
571.12549	2.9
572.13019	0.6
577.15619	0.3
705.16870	0.2
722.25079	0.4
723.21667	36.0
724.22089	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	723.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	5.7
59.01243	1.1
66.95672	0.7
67.01767	1.1
68.99664	0.9
69.01573	0.8
69.03335	1.5
71.61463	1.0
81.03339	3.0
83.01285	6.5
89.03863	2.0
93.03352	9.1
93.12808	0.9
95.01271	2.1
95.04903	3.5
97.02843	5.6
99.00800	1.2
105.03397	0.9
107.04903	1.3
108.02023	1.4
109.02856	33.6
111.00785	1.2
117.03361	3.2
119.04920	3.9
121.02877	5.9
122.03664	1.3
123.00783	3.0
123.04447	21.9
125.02370	47.5
126.02671	1.5
128.03700	0.9
133.02875	16.6
135.00874	1.2
135.04413	3.1
137.02367	34.4
138.03040	1.3
139.00299	1.1
139.03943	5.7
143.04939	1.2
145.02864	8.5
146.03661	2.2
147.04376	2.6
148.18576	0.9
149.02350	7.7
150.03101	1.7
151.00317	1.4
151.03958	14.1
157.06483	2.5
159.04428	7.1
160.05208	1.8
161.02386	64.4
161.05988	10.6
162.03128	4.7
163.00322	4.4
163.03888	3.1
164.01102	8.3
165.01912	7.7
167.03358	2.5
169.01408	4.4
173.04520	2.1
173.05931	2.1
175.03946	5.7
175.07561	3.5
176.01097	2.6
177.01897	54.4
177.05511	1.8
178.02174	1.8
179.03455	8.5
181.06506	1.4
185.05946	2.3
187.03961	9.1
188.04738	4.4
189.01903	8.4
191.03474	1.6
191.05511	1.3
199.07608	2.3
201.02011	2.2
201.05537	3.0
202.06311	2.6
203.03601	6.1
203.05331	1.5
203.07111	18.2
204.07529	1.4
205.01414	4.7
205.05052	13.2
207.02943	1.0
209.05875	1.1
211.04002	1.9
212.04657	1.9
215.03357	3.2
216.00534	3.5
217.01491	4.5
219.02939	1.1
221.08180	2.8
225.05486	1.9
227.03462	4.1
227.07130	5.6
229.01338	3.7
229.05064	15.0
230.05537	1.6
231.02913	2.9
237.05544	2.0
241.05090	5.0
243.02838	1.0
243.06580	3.7
245.04489	2.5
245.08195	21.0
246.08562	2.4
247.06065	3.0
253.04968	1.7
255.02985	2.7
255.06641	2.3
256.03699	2.7
257.04297	1.2
264.04422	1.2
265.05124	1.2
267.06693	1.4
269.04675	5.3
270.04843	1.2
271.06180	61.4
272.06403	4.8
275.01947	1.8
277.04977	1.2
279.06723	2.3
280.03876	1.1
281.04663	6.2
282.05283	1.1
283.06042	4.9
287.05640	2.6
289.07239	100.0
290.07513	8.9
293.04538	2.3
297.04132	1.2
297.07385	1.1
299.05585	4.3
301.00012	9.1
307.02493	1.2
308.03210	1.7
309.04095	2.1
310.04752	1.6
311.05759	5.5
321.03973	5.8
321.07715	6.1
323.05655	6.8
325.03506	1.8
329.06641	1.6
337.02673	1.3
339.05188	11.3
341.06769	4.6
375.08701	1.0
377.06824	1.2
391.08066	1.2
401.06747	1.8
407.07132	1.4
409.09161	1.0
410.54938	1.1
415.08212	4.4
418.55356	4.5
419.07953	15.8
420.07849	2.1
432.55090	11.1
433.09430	29.6
434.09595	3.7
435.11087	6.2
451.10388	19.5
452.10681	1.9
459.06967	6.1
460.07333	1.1
475.10587	1.1
527.13593	1.7
553.11603	24.3
554.11926	4.9
571.12567	41.8
572.12897	9.1
705.15912	5.4
723.17169	44.4
724.17615	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	723.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95452	1.1
57.03342	12.2
65.86349	1.2
71.45329	2.8
77.45905	1.0
77.52114	1.1
78.86440	1.1
81.03336	3.3
83.01268	7.1
89.03870	2.3
93.03357	8.4
95.01260	2.0
95.04906	4.3
97.02840	5.9
105.03368	1.6
108.02065	1.5
109.02866	31.7
117.03397	3.1
119.04921	5.4
121.02860	5.5
122.03683	2.2
122.52164	1.2
123.00831	1.3
123.04449	23.0
124.04581	1.2
125.02373	66.4
126.02698	1.6
133.02884	16.6
135.04420	4.6
137.01393	2.1
137.02377	31.6
139.03908	5.3
143.05006	2.7
145.02936	6.9
146.03650	2.0
147.04401	1.7
149.02383	9.3
151.00305	2.7
151.03957	16.6
157.06538	2.2
159.04434	4.8
161.02400	63.3
161.06027	11.8
162.02878	4.4
163.00302	4.5
163.03943	2.9
164.01091	6.1
165.01874	8.0
167.03445	2.6
169.01395	2.2
173.06001	2.9
175.03964	5.3
175.07640	1.7
176.01047	2.8
177.01904	44.7
177.05411	1.9
178.02278	2.6
179.03442	8.3
185.05998	2.0
187.04036	8.6
188.04726	4.6
189.01917	9.6
190.02632	3.2
191.03535	1.7
199.07533	1.7
201.01801	1.7
201.05547	3.1
202.06396	2.2
203.03484	3.0
203.07130	14.7
205.01328	3.7
205.05051	12.9
211.03862	1.6
213.05591	2.2
215.03459	2.3
216.00682	2.7
217.01479	5.8
217.04877	1.4
221.08241	2.5
225.05592	1.8
227.03474	3.5
227.07173	6.0
229.01534	2.1
229.05075	22.1
230.05525	2.7
231.03029	1.9
239.03442	1.4
241.05042	4.5
243.02936	1.7
243.06688	2.1
245.04523	4.0
245.08261	21.2
247.06177	2.8
253.05122	1.3
255.03044	3.6
255.06609	4.2
256.03796	4.1
257.04434	2.5
265.05035	1.6
269.04684	5.9
271.06213	58.0
272.06464	4.9
279.06552	2.9
280.04129	1.2
281.04706	8.7
283.06171	5.6
285.04031	2.1
287.05569	4.6
289.07266	100.0
290.07660	7.8
290.10339	1.3
291.06595	1.8
293.16425	1.2
295.06287	1.7
297.07779	2.5
299.05710	10.0
310.05032	2.0
311.05643	3.8
321.04184	2.9
321.07748	6.0
323.05655	5.3
329.06686	2.5
333.07767	1.5
337.03751	1.5
339.05115	7.1
341.06589	13.2
373.07224	1.8
389.06757	2.6
391.08218	3.5
407.07904	8.0
415.08344	2.8
419.07800	13.4
420.08051	2.0
428.08920	1.3
433.09369	22.5
434.09647	2.7
435.10959	7.6
451.10535	21.8
452.10745	2.0
459.07599	9.0
475.10461	1.5
527.13556	3.1
553.11530	35.3
554.11682	6.6
554.38196	1.3
559.12158	2.9
567.12811	1.8
571.12622	45.7
572.12628	9.3
597.13885	5.1
705.16467	4.8
706.16650	1.8
723.17365	40.5
724.17493	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	723.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33175	0.8
57.03307	2.8
59.82770	0.7
69.03329	1.6
69.26794	9.0
74.13593	0.8
80.48856	0.7
81.03320	1.9
83.01275	6.2
87.82486	1.0
89.03863	2.0
93.03349	7.7
95.04890	3.1
95.22432	0.7
96.27438	0.8
96.95888	0.9
97.02860	6.3
105.03355	0.9
108.02032	1.4
109.02869	31.5
110.03110	0.9
117.03355	2.7
119.04906	2.4
121.02919	4.2
122.03596	1.7
123.00798	1.5
123.04431	16.7
125.01462	1.5
125.02373	36.8
133.02892	10.7
135.04404	3.0
137.02379	37.1
138.02710	1.4
139.03870	3.3
143.05016	1.2
145.02875	5.2
146.03659	1.0
147.04456	1.1
149.02374	8.3
150.03165	1.5
151.03951	11.3
157.06549	1.2
159.04509	4.7
160.05177	1.4
161.02396	58.4
161.05997	7.4
162.02939	4.2
163.00249	2.3
163.03883	2.3
164.01109	4.4
165.01888	6.0
167.03371	2.3
168.05698	0.9
169.01289	1.7
173.06017	1.0
174.03105	1.0
175.03983	4.8
175.07507	2.2
176.01079	2.5
177.01900	50.2
177.05298	1.7
178.02214	3.4
179.03464	9.0
183.04424	1.2
183.08017	1.0
185.06000	2.1
187.04010	6.6
188.04782	4.3
189.01923	6.5
190.02629	1.5
191.03471	1.2
199.03987	1.1
199.07545	2.0
201.01746	1.4
201.05481	3.4
202.06267	2.3
203.03418	3.6
203.07115	15.9
204.07416	1.5
205.01312	2.7
205.05026	12.3
211.03992	1.3
212.04744	1.8
213.05423	1.5
215.03477	1.9
216.00571	2.6
217.01428	3.9
221.08125	2.2
225.05531	1.4
227.03528	4.7
227.07030	5.2
229.01346	2.4
229.05040	17.7
230.05571	1.2
231.02914	2.4
237.05574	1.0
239.03464	1.2
240.04250	0.8
241.05003	3.5
243.06613	2.8
245.04480	1.8
245.08226	25.0
246.08511	1.8
247.06145	1.4
253.05110	0.9
255.03018	2.3
255.06552	2.3
256.03751	1.8
257.04550	1.6
269.04611	18.1
270.04980	1.3
271.06186	60.5
272.06522	5.9
279.06628	2.4
281.04565	4.9
282.05164	1.5
283.06161	4.9
287.05606	2.7
289.07257	100.0
290.07660	7.0
293.04651	1.6
297.04053	0.9
297.07599	2.2
299.05658	6.0
300.99832	1.1
308.03104	1.9
309.04092	1.4
309.07428	1.6
310.04843	2.1
311.05838	4.9
321.03979	5.2
321.07132	5.3
323.05679	6.1
324.05850	1.3
325.03589	1.3
329.06735	1.8
333.07571	1.4
339.05191	8.5
339.08801	1.1
341.06509	4.6
375.08591	1.4
377.06418	1.2
389.06387	1.2
391.08105	2.5
401.06711	1.5
407.07748	2.4
409.09085	1.5
415.08337	4.4
419.07809	14.8
420.07825	2.5
433.09335	26.8
434.09518	3.3
435.11002	4.3
451.10382	16.9
452.10565	1.6
459.07434	6.0
460.07468	1.3
475.10336	0.9
553.11469	24.1
554.11609	3.6
559.12506	1.4
571.12579	38.8
572.13153	6.4
661.17108	1.0
705.16455	4.0
723.17175	39.3
724.17639	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	723.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	14.9
61.36818	0.4
67.01802	0.6
69.03357	1.1
70.53606	1.0
70.53973	0.7
71.01256	0.5
75.91747	0.5
78.41722	0.5
81.03350	2.0
83.01286	4.0
85.02850	0.5
93.03358	2.0
95.01261	0.8
95.04926	1.4
95.07306	0.4
96.95901	0.6
97.02862	3.0
107.01309	0.5
107.04939	1.2
108.02096	1.0
109.02862	14.0
111.00806	1.0
112.08858	0.5
117.03393	2.1
118.24583	0.4
119.04938	2.1
121.02876	2.4
122.03655	1.0
123.00799	1.1
123.04443	9.3
125.02371	100.0
126.02702	3.3
131.04939	1.0
133.02896	4.7
135.04413	2.7
137.02377	18.4
138.02777	0.6
139.03937	2.4
143.04962	1.1
145.02888	5.6
146.03679	1.3
147.04486	0.9
149.02385	3.7
150.03185	0.8
151.03952	8.3
153.01883	0.5
157.06372	0.5
159.04466	4.9
160.05316	0.6
161.02397	29.8
161.06018	5.8
162.03020	2.0
163.00319	3.0
163.03966	3.8
164.01096	4.7
165.01866	5.7
167.03485	1.2
169.01419	2.8
173.05975	0.7
174.03220	1.0
175.03975	10.5
175.07631	1.1
176.01218	0.7
176.04330	0.4
177.01900	13.5
177.05513	1.0
178.02394	0.6
179.03401	2.7
183.04547	1.5
185.04613	0.4
185.05971	2.5
187.03984	6.2
188.04707	1.8
189.01926	1.5
189.05524	0.8
191.03430	0.8
193.05080	1.0
197.05995	0.8
199.03995	2.5
201.01945	0.9
201.05565	2.7
202.06291	0.9
203.03500	1.6
203.07129	7.3
205.01404	1.9
205.05072	4.7
205.06865	0.6
209.06111	1.0
211.04016	1.6
212.04684	0.6
213.01984	0.5
213.05542	1.6
214.02756	0.5
215.03566	1.7
217.01569	0.8
217.05072	2.8
219.03003	1.8
221.08287	0.9
225.05551	1.0
227.03519	2.6
227.07030	2.1
228.04294	0.9
229.01514	0.6
229.05081	5.4
230.05655	0.5
231.03070	0.8
237.05571	0.7
241.05032	0.7
243.03105	4.8
243.06676	1.3
244.03607	0.9
245.01097	0.7
245.04607	5.5
245.08215	8.8
245.24957	0.5
246.08429	0.6
247.06194	1.0
253.05119	2.6
253.08887	0.9
255.03023	8.3
255.06679	0.8
256.03699	4.3
257.04596	1.5
267.03088	0.7
269.04684	2.6
271.06201	11.2
272.06558	0.6
273.04089	3.2
279.06567	1.0
281.04657	3.2
282.05096	1.0
283.02539	2.6
283.05508	0.6
285.04132	3.2
285.07208	0.5
287.05704	9.5
289.07266	40.6
290.07562	3.9
297.04135	1.5
299.05658	4.3
300.99948	2.1
311.05832	0.7
321.07800	1.5
323.05844	0.6
329.06732	0.7
331.08301	0.6
339.08850	1.7
341.06674	1.1
363.08832	1.1
381.09985	2.0
389.06512	2.3
391.08041	0.5
407.07803	55.9
408.08136	6.8
419.07806	1.0
425.08942	8.8
426.09100	1.1
433.09399	4.6
434.10071	0.7
435.10944	4.2
436.11264	0.8
437.09171	0.5
451.10492	14.9
452.10898	2.4
467.09439	0.6
541.11407	0.8
553.11505	5.5
554.11865	1.2
559.12537	4.2
560.13049	0.7
571.12506	12.2
572.12787	2.2
577.13654	12.4
578.14075	2.1
597.14331	2.0
723.17633	4.8
724.17194	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.9
57.13664	0.3
71.01298	0.6
72.99197	0.9
73.98933	0.3
81.03352	0.4
83.01281	1.2
93.03358	1.4
94.09619	0.4
95.01279	0.5
95.04886	0.5
96.95907	1.4
97.02828	0.9
98.66779	0.4
107.01289	0.8
109.02871	3.3
117.03385	0.5
119.04906	1.2
121.02887	0.8
123.00791	0.9
123.04449	2.5
125.02371	11.0
126.02699	0.9
129.03421	0.5
133.02885	1.4
137.02370	3.3
139.03914	0.6
145.02901	2.2
145.03882	0.4
147.04427	0.5
149.02374	0.9
150.03114	0.7
151.00290	1.0
151.03957	1.6
153.99026	0.4
157.02933	0.7
159.04488	0.9
161.02411	7.1
161.06033	1.5
162.02963	0.7
163.00323	0.9
163.03957	1.3
164.01103	0.8
165.01860	1.1
169.01370	3.1
170.01768	0.7
173.02409	1.1
173.04536	0.6
175.03925	1.5
177.01909	2.9
179.03363	0.8
185.02411	2.7
185.06030	0.6
187.03966	1.1
188.04724	0.5
189.01849	1.3
191.05489	0.7
201.01973	2.4
203.07173	1.3
205.01466	0.5
205.05034	1.3
213.01994	0.4
215.03767	0.4
216.00644	0.4
217.01402	0.7
227.07164	0.5
229.01437	4.5
229.05035	2.5
243.03107	0.5
245.01031	1.1
245.04619	0.7
245.08220	1.9
255.02998	0.5
256.03870	0.4
257.00977	1.9
269.04642	2.3
271.06216	6.0
273.00525	0.4
281.04678	0.7
283.99640	3.3
287.05682	0.5
289.07272	11.5
290.07773	0.6
299.05618	1.4
299.99167	2.6
300.99969	100.0
302.00262	7.3
311.05630	0.4
323.05380	0.6
341.06714	1.2
407.07718	1.3
419.07791	0.8
421.11401	0.8
433.09448	1.7
435.10941	1.3
444.90622	0.4
451.10492	3.1
500.66080	0.4
500.72754	0.4
549.23669	1.0
553.11658	2.2
559.12531	1.2
571.12433	3.4
666.22870	0.4
722.24756	1.0
723.18213	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45477	0.3
56.92505	0.3
59.01268	0.3
60.21789	0.3
61.98716	100.0
68.03550	0.3
69.00014	0.3
73.14288	0.3
78.95800	0.6
81.02387	0.3
86.91231	0.3
133.28070	0.3
148.27307	0.3
152.99503	0.8
341.84293	0.4
383.73376	0.3
464.72781	0.4
561.37091	0.4
617.48425	0.4
723.41125	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66688	0.2
54.44653	0.2
57.03339	0.4
59.01248	0.2
61.98716	0.6
65.04350	0.2
69.03345	0.2
69.60114	0.8
69.60517	0.5
71.01265	0.2
77.56590	0.2
82.02872	0.3
83.01259	0.2
87.00712	0.2
87.31290	0.2
88.98733	0.2
89.03891	0.3
95.01298	0.6
96.95971	0.3
105.03380	0.2
109.02861	0.9
113.61323	0.2
117.03409	1.1
119.03362	0.2
119.04943	0.5
123.00823	1.5
123.04443	0.6
124.01592	0.2
125.02370	4.7
129.03374	0.3
132.02083	0.3
133.02875	0.7
134.03668	5.7
135.04434	0.3
137.02394	1.2
145.02892	2.7
147.04506	0.9
148.01643	0.2
149.02351	0.3
149.06032	0.3
151.00211	0.3
151.03979	0.7
157.02910	0.7
159.04462	0.7
160.01578	1.0
161.02385	2.1
161.05946	0.3
162.03166	0.2
163.00348	0.3
163.03958	1.3
164.01147	0.3
165.01869	0.3
166.99774	0.4
169.01385	1.7
173.02412	2.5
174.03043	0.2
175.03960	1.8
176.01094	0.2
177.01917	1.3
177.05519	0.2
179.03471	0.3
185.02432	2.8
185.68719	0.2
186.02667	0.2
187.03931	0.4
189.01930	1.8
190.02690	0.7
191.03450	1.3
193.05014	1.2
199.00496	0.2
199.03976	0.2
200.01045	0.3
201.01930	2.9
201.05615	0.3
202.02467	0.3
203.03514	1.9
203.07127	0.3
205.01382	0.4
205.05049	0.3
211.35402	0.2
213.01952	0.8
215.07217	0.2
216.00594	0.3
217.01480	2.0
218.02196	0.5
219.03032	0.7
226.99835	0.6
228.00687	0.4
229.01445	5.4
229.05093	0.5
230.01865	0.3
231.03052	1.1
240.00604	0.2
241.05295	0.2
244.00209	0.3
245.00940	4.7
245.03627	0.3
245.04599	0.3
245.08289	0.6
246.01590	0.6
247.02533	0.9
249.04051	0.5
254.99239	0.3
256.03769	0.3
257.00958	3.6
258.01575	0.9
269.04752	0.3
271.06250	0.9
271.99753	0.2
273.00500	3.9
274.01205	1.8
275.02036	6.8
276.02280	0.4
281.04538	0.2
283.99704	2.7
285.00122	0.3
287.05811	0.3
289.07248	2.3
290.00635	0.4
299.99149	4.7
300.99963	100.0
302.00314	7.4
312.50381	0.2
315.01529	0.3
407.07654	0.9
419.08041	0.2
433.09180	0.4
451.10422	0.3
484.08902	0.5
521.33447	0.7
522.33380	0.2
528.07861	2.1
529.07977	0.3
553.11414	0.5
569.26642	0.3
571.12762	0.7
577.13873	0.3
645.66046	0.2
722.13794	22.6
723.14301	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	721.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.5
57.03333	0.4
59.01265	8.0
64.36533	0.3
69.03349	0.5
71.01268	4.7
71.20584	0.9
73.02834	1.3
80.02565	0.6
81.03363	1.6
83.01273	0.8
83.04911	1.6
85.02856	1.5
85.51021	0.3
87.00777	1.4
89.02338	2.5
95.01239	0.5
95.04942	0.9
97.02861	3.9
97.06469	0.4
99.00786	1.2
99.04436	0.6
101.02351	5.2
107.04945	0.4
108.19131	0.4
109.02853	0.5
109.06503	15.9
110.03658	0.8
111.04462	0.4
113.02374	2.6
121.06536	1.0
123.04439	0.8
129.01822	0.4
135.08089	2.2
136.05254	1.0
142.02661	1.1
145.05011	1.2
147.41028	0.3
161.04529	1.4
161.09648	0.8
163.10010	0.7
163.11249	9.5
164.11711	0.4
179.10745	0.6
181.12312	1.8
189.09166	2.5
197.11858	0.5
207.10260	56.7
208.10599	3.1
209.11818	1.6
225.11333	27.5
226.11678	2.0
233.22835	0.6
235.08267	5.0
236.08521	0.4
241.37363	0.4
243.12346	0.6
253.09320	10.5
254.09795	0.6
259.20551	0.4
277.21790	100.0
278.22125	9.2
414.79144	0.4
441.33902	0.9
443.19296	3.5
444.19855	0.9
461.20410	5.4
462.20605	0.9
467.31744	0.9
485.32880	0.7
559.36688	0.5
583.92584	0.4
703.40918	0.7
721.41803	26.0
722.42212	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	721.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.5
57.03363	0.4
57.68317	0.3
58.00494	0.3
59.01265	6.9
65.03924	0.3
69.03349	0.9
71.01273	5.8
71.52340	0.7
72.99214	0.6
73.02835	0.9
78.78290	0.3
79.44413	0.3
80.02563	0.3
81.03343	1.1
83.01292	0.7
83.04913	1.4
85.02850	1.3
86.69413	0.3
87.00774	1.1
89.02345	4.7
93.03374	0.5
95.01288	1.3
95.04919	4.2
97.02866	3.4
97.06478	0.4
99.00799	0.5
99.04432	0.8
101.02350	4.3
106.04182	0.8
107.04974	0.5
108.09748	0.3
109.02863	0.7
109.06505	6.8
110.03667	2.1
111.04426	1.5
113.02347	2.6
119.03399	0.9
119.08588	0.7
121.06531	0.6
123.08073	0.5
125.02306	0.5
125.05955	0.5
125.09679	0.6
133.04993	0.4
135.08054	0.6
137.09599	0.4
143.03416	0.5
145.05020	0.6
145.10130	0.8
147.08084	0.4
149.09627	0.4
151.07640	0.4
151.11198	0.7
153.12784	0.4
161.04517	1.9
161.09637	1.7
163.07632	0.5
163.11237	10.3
164.11598	0.6
169.12277	0.9
179.05550	1.9
179.10724	1.7
181.12361	1.9
189.09164	5.6
197.11812	1.3
199.05775	0.3
207.10257	28.9
208.10559	1.6
209.11806	1.1
211.13406	0.5
225.11327	100.0
226.11649	4.3
235.08261	3.0
236.08566	0.3
253.09325	8.4
268.29944	0.4
275.20148	0.7
277.21783	49.2
278.22113	4.3
299.14969	0.7
313.07068	0.4
429.66354	0.4
435.66672	0.4
443.13232	0.5
443.19318	7.4
444.19775	0.9
461.20401	23.3
462.20859	2.3
721.41840	12.1
722.42230	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	721.4189
Annotation	Trungapeptin A
Peak:m/z	Relative Intensity
55.01771	0.7
57.03330	0.8
58.00494	0.4
59.01264	10.9
65.23499	0.3
69.03352	0.6
71.01270	6.7
71.04950	0.3
72.99204	0.5
73.02834	1.2
74.23188	0.3
80.02570	1.1
80.77348	0.3
81.00642	0.3
81.03348	2.6
83.01289	1.1
83.04917	3.1
84.02075	0.6
85.02420	0.4
85.02840	2.1
87.00769	0.7
89.02337	4.9
93.03350	0.6
95.01294	0.4
95.04933	0.7
97.02856	6.0
97.06520	0.4
98.19762	0.8
99.00798	1.7
99.04457	0.5
101.02351	6.1
106.04153	0.4
107.04936	1.0
109.06503	36.4
110.03651	1.2
110.06850	1.0
111.04451	0.4
113.02336	2.9
119.03423	1.2
121.06509	2.7
123.04437	0.7
125.02370	0.5
125.09619	0.7
133.05031	0.4
135.08102	3.2
136.05244	1.3
142.02664	2.0
142.21893	0.3
143.03477	0.7
145.04965	0.4
145.10159	0.5
161.04468	1.6
161.09680	1.6
163.11238	16.8
164.11588	1.1
179.05574	1.0
181.12315	4.2
183.67235	0.4
189.09181	4.1
191.10814	0.4
207.10255	100.0
208.10593	5.0
209.11862	1.6
210.12141	0.4
225.11324	40.0
226.11684	2.0
229.23218	0.4
235.08205	3.0
243.12424	0.9
245.81244	0.3
253.09325	14.1
254.09648	0.6
255.23190	0.4
259.20605	0.5
277.21783	73.2
278.22092	6.1
281.13989	0.8
299.15009	1.5
305.79315	0.4
441.34091	1.7
443.19382	5.5
444.19626	0.5
461.20419	12.6
462.20554	1.5
467.31866	0.6
485.33145	0.7
656.34521	0.3
688.41449	0.4
703.40814	1.2
704.40479	0.4
721.41833	35.8
722.42316	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	721.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66901	0.9
51.41193	0.9
53.00206	1.1
53.93530	0.9
57.03334	1.1
58.16384	1.1
59.01266	10.3
61.45430	0.9
61.98722	34.1
63.74169	0.9
68.99713	1.1
69.03333	2.2
71.01274	93.8
71.42084	0.9
72.01627	2.1
72.75987	0.9
72.99209	2.8
73.02830	4.8
73.87066	1.1
75.00771	1.2
80.96412	2.8
81.03347	3.0
83.01262	2.4
83.04912	8.0
84.02038	1.1
85.02838	4.4
87.00766	2.4
88.98686	3.7
89.02367	5.1
93.03316	1.1
95.01267	2.0
95.04914	2.3
96.95928	3.0
97.02852	6.0
98.19731	2.5
98.58092	1.3
99.00780	3.8
101.02357	6.1
107.01291	3.3
109.06510	12.9
111.00771	1.8
113.02348	3.5
116.92786	1.3
119.03434	1.3
123.00802	5.7
123.04419	1.2
125.02384	23.1
125.09638	2.6
125.91994	1.3
126.02686	1.7
135.08084	2.1
137.02388	2.3
139.00320	1.8
140.01057	2.0
141.01897	1.1
143.03386	1.4
145.02890	2.9
145.04982	1.4
151.00291	4.1
151.03973	1.2
161.04524	3.4
163.03981	1.1
163.11243	11.7
165.12785	3.0
168.00528	2.4
169.01395	24.4
171.04446	2.0
171.10229	21.8
179.05652	1.6
181.12344	5.2
185.11836	3.2
189.09200	1.7
199.09727	2.0
199.13362	3.2
201.11388	7.6
207.10272	34.3
208.10600	1.4
209.11832	100.0
210.12193	5.4
211.02487	1.3
211.07590	1.7
215.12871	1.8
225.11333	31.1
226.11600	2.3
227.12903	12.2
235.08205	3.3
243.12355	3.5
253.09351	10.7
255.06653	8.3
256.06879	1.6
271.04782	1.1
289.07361	1.7
295.04623	1.5
313.05753	3.8
399.21884	2.4
417.23227	2.6
461.20261	8.5
462.20624	1.4
465.06671	3.8
499.30728	1.8
559.27856	1.2
635.31104	2.0
653.32013	1.9
658.35675	7.7
659.35919	3.1
671.32983	4.2
672.34125	2.8
689.34021	4.7
721.14911	20.3
721.26965	4.6
721.38885	8.2
722.15259	6.6
722.37030	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53683	1.3
53.19907	1.3
55.44601	1.2
57.03326	1.6
58.00483	2.6
58.95182	1.1
59.00991	2.1
59.01267	29.5
61.98717	36.1
63.79766	1.3
65.70245	1.4
69.03333	1.6
70.87052	1.7
70.87379	2.9
71.01275	27.3
72.99198	2.9
73.02834	4.4
78.95789	5.6
83.01270	2.0
83.04902	1.8
85.02849	5.5
87.00768	6.2
89.02341	20.9
95.01276	2.4
96.95925	1.4
97.02850	4.5
99.00756	1.7
101.02358	23.7
109.42164	1.6
113.02324	10.5
119.03411	5.0
125.02367	13.5
143.03415	3.9
152.99533	1.5
161.04471	5.6
165.68430	1.3
179.05580	3.7
209.11789	2.6
218.82704	1.4
235.08215	9.6
251.70865	1.3
253.09457	2.4
263.07626	1.5
263.20218	63.1
264.20566	5.7
284.66223	1.3
287.07770	3.1
305.08768	4.1
397.13605	100.0
398.14078	9.7
415.14676	32.0
416.14859	2.2
620.72595	1.5
661.34344	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	721.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08671	0.8
57.03327	2.3
59.01251	2.5
60.45626	0.8
61.98689	1.1
63.02283	5.7
64.59027	0.9
65.00212	6.6
69.03326	1.0
70.53850	3.4
71.01263	1.2
72.99199	0.9
79.01807	0.8
80.42193	0.9
81.03341	1.5
83.01271	9.9
88.55867	0.9
93.03329	1.7
95.01288	1.7
96.95905	2.2
97.02835	1.7
98.19827	0.9
107.00639	1.4
107.01302	19.8
109.02836	1.6
111.00797	0.9
117.03330	1.0
121.02829	1.4
123.00777	2.8
123.04391	2.1
124.01571	2.2
125.01443	1.6
125.02369	29.8
126.02673	1.4
135.00800	1.4
135.04407	1.4
137.02368	13.9
138.02721	0.8
139.00238	1.5
139.03860	1.5
145.02843	1.5
147.04428	1.2
149.02318	2.8
151.00314	50.5
151.03906	1.9
152.00906	1.6
153.01840	1.1
159.04430	2.1
161.02315	3.2
163.00287	2.5
163.03999	1.2
164.01053	3.0
165.01846	5.1
167.03481	7.8
168.99973	1.2
169.01393	22.5
170.01628	0.8
173.02303	1.7
173.06007	2.2
175.03960	2.6
176.01076	1.8
177.01930	5.6
178.99826	52.7
179.03394	3.9
180.00151	1.5
183.04460	4.0
185.06160	1.0
187.03903	3.9
189.01828	1.8
189.05502	1.1
191.03476	1.5
192.99782	1.3
193.01399	14.3
195.04497	0.9
198.03166	1.0
199.03993	2.9
201.01874	1.2
201.05544	7.8
203.03444	3.4
205.01384	6.9
207.02921	3.8
211.04051	7.9
212.04675	2.6
213.01871	2.5
213.05481	2.2
214.02650	3.0
215.03497	7.1
219.02908	2.4
225.05453	1.6
226.02658	0.9
227.03554	9.0
228.04243	5.4
229.01382	3.2
229.05009	10.8
230.05530	1.2
231.02934	2.8
233.00902	2.1
237.05594	1.4
238.02721	1.8
239.03510	6.2
240.04114	1.0
241.01376	1.5
241.05023	3.1
242.02177	2.9
243.02991	9.7
245.01004	1.2
247.02415	3.1
249.05653	2.2
251.03499	4.3
252.04178	1.7
253.05019	1.8
254.05820	2.2
255.03035	6.0
255.06584	3.5
256.03836	5.9
257.04541	9.9
261.05597	1.2
262.06158	1.2
263.07016	1.2
264.04352	2.0
265.01599	0.9
265.05148	5.3
266.05743	1.4
267.03003	4.8
267.06430	1.9
267.96985	1.1
269.04492	3.5
271.06161	1.0
273.05527	1.3
277.04999	3.0
279.02985	1.6
279.06644	1.7
280.03799	1.2
281.04575	6.5
281.07776	1.5
282.05194	1.2
283.02487	2.6
283.06070	2.2
291.03354	1.4
291.06641	3.2
292.03717	1.2
292.06934	0.9
293.04544	4.7
294.05209	1.4
295.06345	1.1
298.04861	1.3
299.05634	2.1
300.99829	3.2
301.05048	1.5
305.04599	3.3
306.05310	1.6
307.06097	3.1
309.03964	2.5
309.07581	1.7
311.05594	1.4
316.03778	1.0
317.04614	3.1
318.05325	1.2
319.06033	2.4
321.03989	6.5
322.04861	1.6
323.05618	4.7
329.04532	1.7
331.06097	1.3
333.04034	3.0
333.07620	2.0
335.05499	3.0
337.03430	2.5
343.06021	1.0
345.04187	5.9
346.04620	2.5
347.05621	2.1
348.02591	1.8
349.03479	3.0
350.04343	8.9
351.05154	10.8
352.05615	1.1
359.05777	1.6
361.03516	2.3
362.04236	1.8
362.10001	1.2
363.00909	1.6
363.05188	20.9
364.05417	1.9
366.03821	3.0
367.04654	8.1
368.05383	1.2
373.03506	5.1
374.04105	2.0
375.05118	4.1
377.06949	6.5
379.04691	4.9
380.05264	2.8
381.06000	6.4
385.03470	1.0
389.02896	1.9
390.03882	4.3
391.04626	18.2
392.04980	2.5
401.02872	8.9
402.03381	1.7
403.04401	2.0
407.04062	3.5
408.04849	2.6
409.00665	1.7
409.05692	18.1
410.05630	1.8
418.03494	4.9
419.04178	100.0
420.04529	11.9
429.05948	1.2
431.04144	4.2
432.04727	1.1
436.04181	2.4
437.05179	8.8
438.05505	2.2
445.05099	1.1
485.08521	1.4
489.08572	1.2
491.05704	1.4
497.11169	5.0
511.06293	1.2
513.08325	2.4
529.07837	2.2
531.09210	2.9
535.31744	1.2
539.06244	3.8
553.10040	19.2
554.10217	3.0
555.11511	4.3
557.07428	15.7
558.07373	1.7
565.09760	11.0
566.10828	1.3
575.08423	73.7
576.08752	11.3
583.11005	29.7
584.11395	4.8
626.94763	1.0
677.15173	1.7
703.13196	6.2
704.13507	1.3
721.14117	43.8
721.24756	3.3
722.14575	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	720.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92216	0.1
59.01264	0.1
61.98721	100.0
62.98421	0.2
70.94936	0.1
77.66763	0.1
85.52220	0.1
113.34731	0.1
120.61328	0.1
169.01396	0.1
170.50243	0.1
209.11916	0.3
210.12245	0.2
211.13466	0.4
212.13857	0.2
213.13812	0.1
253.04729	0.1
447.22696	0.1
452.01956	0.1
563.44171	0.1
724.26819	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	720.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.5
59.01255	2.2
61.98421	0.6
61.98719	8.8
67.01777	0.6
69.03329	1.1
71.01269	2.4
71.04898	0.3
72.99209	0.5
78.95796	0.7
79.01768	1.2
80.96400	0.4
81.03329	0.5
83.01264	0.9
83.04911	0.6
84.02071	0.4
85.02846	1.0
87.00761	0.5
88.98723	0.5
89.02325	0.5
95.01290	1.6
96.95879	0.6
97.02839	0.7
101.02320	1.7
107.01292	3.0
111.00793	2.0
113.02357	1.3
123.00803	12.0
124.01601	0.5
125.02369	15.0
126.02712	0.4
127.00255	1.0
136.98750	1.1
139.00305	3.8
140.01100	3.2
141.01825	1.6
145.02876	0.5
151.00313	8.5
151.03995	0.5
152.99492	0.4
153.01880	0.6
163.03957	0.6
163.11272	0.5
168.00577	2.0
169.01385	14.6
170.01747	0.5
179.10699	0.3
197.11818	6.1
198.12128	2.3
207.10094	0.4
209.04463	0.4
209.11806	6.2
210.12184	3.0
227.12804	0.7
253.03548	0.4
253.09380	0.5
255.23375	0.4
260.60599	0.3
277.95468	0.4
289.07428	0.5
313.05704	0.9
568.16895	0.4
593.54926	0.4
627.33612	2.6
628.34387	0.7
657.35040	100.0
658.35376	20.7
658.46875	0.7
687.32611	1.0
688.32806	10.3
689.33374	1.9
720.36371	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	720.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98718	100.0
62.98425	0.2
70.25986	0.1
70.26392	0.2
78.95818	0.2
83.18909	0.1
118.51956	0.1
149.83757	0.1
172.25645	0.1
209.11880	0.2
210.12210	0.1
211.13416	0.4
212.13776	0.2
224.02303	0.1
228.25226	0.1
241.80182	0.1
273.00989	0.1
299.00604	0.1
413.72180	0.1
720.29663	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39777	0.5
58.41947	0.5
59.01256	1.9
61.98717	14.1
69.03340	0.9
69.28452	4.4
69.28855	0.9
71.00923	0.5
71.01270	3.3
77.12749	0.6
83.01283	0.7
85.02845	0.6
97.02846	0.8
101.02335	1.3
107.01308	7.1
109.02883	0.9
111.00785	1.5
113.02342	0.9
114.17686	0.5
123.00810	6.1
124.01572	1.1
124.35573	0.5
125.02370	39.7
126.02696	1.3
136.98726	0.7
137.02342	1.5
138.46718	0.5
139.00291	1.6
139.03937	1.5
140.01054	1.2
141.01871	0.6
145.81940	0.5
151.00278	3.7
161.02310	0.6
165.01917	0.8
168.00612	2.4
169.01385	51.5
170.01685	2.4
179.03371	0.6
183.02921	1.9
193.01328	0.6
211.02449	2.9
241.03563	1.4
257.01025	0.6
269.98093	2.2
270.98889	4.1
271.04581	1.2
283.99899	0.7
285.00534	6.4
286.01138	0.8
289.07205	1.0
297.00232	0.7
297.97629	13.9
298.98416	11.7
299.99231	2.9
300.99963	1.1
312.89764	0.6
312.99966	34.2
313.05716	44.8
314.00751	25.2
314.05914	2.7
315.01294	3.1
327.01694	0.8
328.02316	36.1
329.03073	35.1
330.03424	2.4
343.04657	16.4
344.04907	1.6
415.19650	0.6
450.73853	0.6
491.08588	5.4
657.11115	100.0
658.11505	16.9
719.22583	0.8
720.24591	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75435	1.3
55.01759	1.8
57.03308	1.5
59.01253	4.2
65.00231	6.3
67.01791	7.0
68.99727	1.2
69.03333	3.7
71.01277	2.4
71.11637	1.4
71.11967	2.0
75.02309	1.6
79.01781	1.7
81.03339	1.7
82.02878	3.0
82.47543	1.2
83.01274	15.0
89.41664	1.6
91.01818	2.6
92.67333	1.5
93.03367	4.1
95.01295	26.5
97.02871	1.5
99.00758	3.9
101.02377	1.7
105.03393	1.4
107.01282	3.5
109.02884	8.0
111.00793	19.5
113.02372	2.5
121.02865	3.2
123.00800	8.0
123.04398	2.2
123.26991	1.3
125.02380	19.3
127.00249	2.9
133.02907	2.8
135.00809	3.9
137.01387	2.1
137.02380	27.1
138.02724	1.9
139.00319	32.1
145.02879	4.7
146.03699	1.3
147.00806	3.9
147.04468	3.2
149.02409	2.5
150.03152	1.3
151.00340	4.1
151.03995	3.0
153.01836	1.6
153.70660	1.5
154.99820	19.8
157.01378	9.7
157.02754	2.6
159.04422	3.2
161.02400	10.3
162.02927	1.4
163.00331	85.7
163.03928	3.6
164.01096	10.0
164.98264	6.1
165.01904	38.7
166.02271	1.5
166.99835	3.9
169.01338	2.4
173.02423	4.3
174.03142	1.4
175.02545	1.8
175.03947	7.2
177.01895	8.2
178.99864	8.2
180.00583	3.4
185.02400	4.9
187.00276	1.3
187.04051	2.0
188.03506	3.5
189.01913	4.5
190.02643	3.1
190.99837	26.2
191.03450	4.6
193.01393	3.1
200.03397	3.2
201.01938	9.2
202.05148	2.8
203.03508	9.6
205.01485	2.1
206.99385	16.2
208.00119	19.2
209.00919	55.0
210.01225	1.7
212.03574	2.1
213.02000	2.6
214.99962	2.2
215.20175	1.2
217.01370	4.8
217.05153	1.6
219.02924	2.1
221.00902	2.6
227.00031	1.6
227.01949	1.7
228.03012	2.2
229.01466	17.8
230.02324	2.9
230.04616	16.5
231.02945	3.6
231.99985	1.6
233.01006	1.8
241.01534	1.3
243.03033	4.0
245.01016	6.3
247.02510	4.2
250.01108	9.6
255.01566	5.8
256.02512	9.8
257.00974	7.8
258.01709	4.5
264.99979	4.0
269.00833	1.5
270.99036	2.5
273.00513	4.9
274.01392	2.3
274.03671	40.0
275.01932	26.7
276.02438	2.1
279.01553	3.2
283.01089	3.3
283.99640	3.0
285.00494	3.3
287.05933	3.1
289.07095	4.9
298.98462	1.5
299.99063	3.7
300.99982	60.0
301.03467	2.9
302.00308	5.7
313.00018	1.7
316.04718	26.9
317.04935	2.8
324.62540	1.5
352.04437	3.5
353.05014	3.0
370.05353	1.7
376.06940	2.8
382.07742	4.4
418.07901	50.4
419.08096	5.0
436.08951	98.1
437.09335	8.4
492.05325	2.2
500.08807	2.5
502.09933	2.9
514.10132	1.3
516.07684	8.3
520.11108	9.7
521.11566	1.5
530.09564	24.0
531.09698	2.4
544.07458	22.4
545.07605	2.7
546.09033	100.0
547.09247	11.1
548.10638	4.3
558.09021	71.6
559.09430	9.0
574.08643	16.5
575.08716	2.7
576.10217	3.6
584.06781	10.8
585.07068	1.8
592.08887	2.4
602.08270	5.0
628.09753	4.1
649.12817	2.0
676.11566	2.2
720.10529	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	719.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.3
55.60603	0.2
57.03334	0.5
58.00477	0.3
59.01269	3.2
61.98718	7.4
67.01793	0.2
69.03339	0.3
71.01279	3.1
71.41391	0.3
72.99204	0.5
73.02834	0.5
75.00760	0.2
80.02584	1.1
81.03355	1.6
83.01287	2.4
83.04922	4.4
83.70879	0.2
84.02061	1.5
85.02846	1.1
87.00768	0.7
88.98703	0.4
89.02338	2.2
92.73482	0.2
93.03346	0.2
95.01291	0.3
95.04920	0.8
96.95914	0.5
97.02850	0.4
97.06487	0.4
99.00758	0.3
101.02351	2.8
107.01290	0.8
109.02866	0.2
109.06503	0.4
111.00829	0.4
111.08081	0.3
113.02360	2.0
119.03414	0.6
123.00803	1.4
123.04435	0.2
123.08128	0.3
125.02377	4.4
125.05982	0.5
125.09642	2.8
127.11192	0.6
135.08080	0.7
137.02399	0.3
139.00278	0.5
140.01085	0.5
141.01895	0.3
143.03505	0.2
145.02881	0.4
145.05002	0.2
147.11679	0.3
151.00310	0.7
151.03937	0.4
161.02429	0.3
161.04510	1.0
163.11232	3.7
165.11507	0.3
165.12807	3.1
165.60281	0.2
168.00574	0.5
169.01405	4.6
170.01738	0.2
171.10248	2.0
179.05515	0.5
181.12296	1.2
182.13091	0.3
191.10750	2.6
192.08723	0.2
197.12042	0.2
207.10226	0.5
209.11824	100.0
210.12173	6.6
211.02483	0.5
211.13399	0.6
223.13373	0.7
226.12099	0.8
227.12898	10.9
228.13219	0.9
235.08257	3.4
241.14441	1.2
243.16000	0.8
244.63231	0.2
253.09344	11.2
254.09720	0.6
271.04745	0.3
273.17139	86.0
274.17502	6.7
300.99976	0.2
313.05765	0.4
445.20929	1.2
463.21976	0.3
465.28821	2.1
466.29404	0.3
483.29916	0.2
509.26260	1.6
549.23358	0.4
567.24243	0.6
657.35168	1.4
687.31592	0.2
719.25732	6.1
719.36890	0.7
720.26062	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	719.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41636	0.8
58.00498	0.9
59.01264	11.9
61.98717	73.0
62.98391	0.9
69.03344	3.0
71.01263	7.0
73.02831	2.2
78.95784	2.1
83.01286	1.7
83.04935	1.5
84.02061	0.9
85.02851	1.7
87.00785	2.0
89.02328	4.0
97.02841	5.5
101.02348	6.5
102.50631	0.7
113.02363	3.0
119.03362	0.8
123.04432	0.9
123.08072	2.1
125.02377	1.5
125.09629	2.8
131.55484	0.8
134.45998	0.7
135.08095	0.9
136.05208	1.2
142.02649	2.0
148.76683	0.8
151.11288	0.8
152.99532	1.1
155.10776	0.8
161.04468	2.0
161.09676	1.0
163.11237	6.3
165.12823	2.0
169.01367	0.8
169.12286	3.2
171.10214	1.2
179.05571	1.2
179.10722	3.4
181.12308	0.8
183.13852	8.9
184.13962	0.9
185.11832	5.0
191.10760	1.9
193.12338	1.6
195.13872	1.8
197.11813	38.8
198.12199	2.4
199.13379	15.6
207.10263	29.9
208.10562	1.9
209.11841	11.3
211.13388	100.0
212.13686	6.1
221.11761	0.9
223.13475	1.0
225.11285	0.9
227.12891	33.6
227.15146	1.7
228.13211	2.5
235.08217	3.8
239.12901	38.6
240.13293	2.3
253.09320	17.6
255.23306	2.6
271.15479	6.4
273.17136	69.7
274.17453	6.3
419.62411	0.8
433.20990	4.1
445.20572	1.4
447.22293	3.2
463.21896	3.4
465.28714	1.4
483.27451	2.6
609.32550	1.8
627.33624	2.1
719.39172	4.3
720.39203	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58510	0.2
54.59650	0.2
59.01266	0.6
61.98719	100.0
70.78288	0.4
70.78642	0.2
71.01273	0.3
78.29898	0.2
78.95798	0.2
83.04867	0.2
85.02884	0.2
97.02831	0.2
101.02386	0.2
110.32836	0.2
125.02372	0.3
144.56349	0.2
163.11176	0.2
171.10371	0.2
183.13928	0.3
197.11852	0.7
199.13422	0.7
207.10323	0.6
209.11852	1.0
210.12166	0.3
211.13412	3.1
211.15404	0.2
227.12863	1.3
239.12956	0.7
253.09239	0.3
273.17117	1.4
463.22064	0.2
465.28293	0.2
652.09320	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	0.7
61.77035	0.2
61.98718	100.0
71.01276	0.8
73.02805	0.2
78.95789	0.4
79.95625	0.2
80.96416	0.3
83.04941	0.2
87.00785	0.2
88.98737	0.2
96.95907	0.4
97.02879	0.2
101.02356	0.5
113.02381	0.4
124.58323	0.2
125.02366	0.9
138.52051	0.2
145.02881	0.3
151.00381	0.2
151.03996	0.2
158.38528	0.2
163.03952	0.2
163.11240	0.3
169.01437	0.7
171.10210	1.4
172.10588	0.3
207.10258	0.6
209.11807	2.0
210.12210	0.8
211.13391	1.6
212.13766	0.6
225.11356	0.5
227.12865	0.2
235.08064	0.2
239.12975	0.2
240.13240	0.3
253.09407	0.3
273.17221	0.8
274.17496	0.2
327.21918	0.6
328.22247	0.4
427.22498	0.2
552.03741	0.2
613.39929	0.3
614.39972	0.4
655.32587	0.2
718.38196	0.4
719.26666	0.3
745.99670	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87952	0.2
57.03330	0.2
59.01266	2.5
61.98725	3.5
67.03109	0.2
69.03315	0.3
69.58586	0.2
70.86877	0.2
71.01271	2.0
73.02834	0.5
74.29468	0.2
80.02557	0.6
81.03341	0.6
83.01290	0.4
83.04911	2.5
84.02077	0.3
85.02858	0.6
87.00797	0.6
89.02344	1.8
97.06464	0.2
101.02351	2.4
113.02353	1.2
117.30661	0.2
119.03426	0.5
125.02363	0.2
145.05054	0.3
161.04529	1.3
163.11240	1.8
165.12793	1.3
167.10681	0.2
167.14345	0.5
171.10199	0.3
179.05550	0.3
181.12314	0.5
183.13860	6.0
184.14229	0.7
191.10747	0.4
193.12337	1.6
209.11830	59.3
210.12167	3.4
211.13391	100.0
212.13733	5.9
227.12895	9.7
228.13138	0.5
229.16295	0.3
235.08295	3.4
249.14915	0.4
253.09344	6.6
253.11905	0.4
254.09673	0.3
261.01675	0.3
264.93713	0.2
311.48935	0.2
321.36267	0.3
386.69696	0.3
403.24854	0.6
429.21060	0.5
445.20816	1.0
447.22467	7.9
448.22684	1.1
472.34305	0.3
540.70038	0.3
595.32117	0.3
621.32977	1.0
639.34119	0.9
640.34552	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93564	0.1
59.01257	0.5
61.98717	100.0
62.03555	0.1
62.98407	0.1
64.61649	0.1
69.24318	0.9
69.24734	0.5
71.01270	0.4
78.95770	0.2
85.09991	0.1
89.02349	0.2
97.02869	0.1
101.02386	0.2
114.02650	0.1
125.02341	0.6
169.01430	0.3
183.80592	0.1
198.02092	0.1
209.11984	0.2
220.93314	0.1
236.08592	0.1
255.23387	0.5
256.23770	0.7
256.26147	0.1
257.24054	0.3
289.07388	0.3
303.05151	0.2
397.13776	0.4
398.14160	0.4
399.13989	0.7
400.14459	0.5
417.15207	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.5
57.03333	0.7
57.18790	0.4
59.01271	2.1
61.59711	0.4
61.98724	1.2
65.00214	0.9
67.01774	2.5
68.99712	0.8
69.03337	3.1
70.92389	1.1
71.01270	2.5
72.99192	1.2
75.00760	0.5
79.01791	2.1
81.03364	1.1
83.01288	1.3
85.02856	1.1
87.00780	0.7
88.98680	0.8
89.02361	0.8
95.01286	7.9
96.95921	1.0
96.99190	0.5
97.02832	3.2
99.00774	0.6
101.02356	1.5
107.01299	14.2
109.02872	1.2
110.00037	0.9
111.00784	5.1
113.02357	1.2
117.03436	0.5
119.04939	0.7
123.00802	29.0
123.04452	0.8
124.01655	3.4
125.02367	100.0
126.02679	4.0
127.00282	2.0
132.02127	0.5
133.02869	0.6
135.04449	0.8
136.98735	3.0
137.02399	2.2
138.03162	0.5
139.00299	8.5
139.03908	0.4
140.01102	7.3
141.01881	3.3
145.02870	1.3
147.04460	0.9
149.02412	1.3
150.03207	0.6
151.00305	6.2
151.03915	1.6
153.01886	1.7
154.99821	1.0
161.02374	2.2
162.03029	0.4
163.00308	0.5
163.03970	1.5
164.01045	0.5
165.01875	1.1
165.05507	0.7
166.02638	0.5
166.99812	6.9
167.03426	0.9
168.00607	10.9
169.01378	90.3
170.01720	4.3
175.03925	2.3
176.04308	0.5
177.01965	0.7
177.05382	0.4
178.02638	0.5
179.03471	1.2
181.01303	0.5
187.04001	0.8
189.01831	0.6
191.03484	1.3
193.01424	1.0
193.05049	1.1
205.01331	0.7
205.04991	0.8
207.03006	1.0
210.01579	0.5
211.02472	5.2
219.03055	0.6
223.74998	0.4
237.04008	0.9
267.05481	0.4
271.04727	0.9
289.07190	2.0
290.07764	0.5
295.04724	1.8
297.06357	0.6
300.99960	1.9
313.05576	2.0
377.12454	1.9
379.14096	2.1
395.13504	12.0
396.13852	1.6
413.14603	16.2
414.14963	1.8
547.14679	25.0
548.15173	3.7
565.15741	52.2
566.15991	7.4
717.16852	90.2
718.17236	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	715.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40885	0.8
59.01267	13.0
61.98716	11.1
69.30424	4.5
69.30852	4.7
71.01286	5.1
72.99174	1.3
73.55978	0.7
80.02576	1.1
81.03374	1.2
83.01264	1.0
83.04922	4.7
85.02835	2.1
85.63708	0.9
89.02339	3.2
95.04910	1.4
97.02853	2.4
98.19827	1.5
101.02360	5.3
109.06504	9.1
113.02360	2.3
121.06541	1.4
125.02362	2.2
125.09661	1.1
135.08067	1.8
160.02921	0.8
161.02408	1.3
161.04559	1.2
161.09799	0.9
163.11221	6.5
165.12750	2.0
169.01384	0.9
179.69160	0.9
181.12344	2.4
183.13916	4.2
189.09236	1.3
207.10242	23.0
208.10556	2.1
209.11826	100.0
210.12143	6.4
211.13399	47.1
212.13663	2.9
225.11330	11.2
227.12874	6.9
235.08253	2.8
253.09366	6.7
289.07153	0.9
299.14658	1.0
373.23740	1.7
383.22104	2.4
391.25113	1.0
401.23480	6.4
419.24414	2.3
443.19714	1.1
445.21082	2.4
447.22449	1.1
461.20349	2.8
463.14099	1.2
609.32465	2.0
613.99078	1.0
619.31409	2.0
637.32361	15.2
638.32550	3.4
643.94043	1.1
647.05469	1.2
655.33411	11.9
656.33777	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	714.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16776	0.1
51.22324	0.1
59.01269	0.4
61.98719	100.0
62.98420	0.2
64.92444	0.1
66.96608	0.1
69.79569	0.1
71.01276	0.3
71.61629	0.2
72.99229	0.1
85.02885	0.2
95.01326	0.2
96.95921	0.5
101.02359	0.1
107.01306	0.2
117.03378	0.2
121.02864	0.2
123.00831	0.5
123.04497	0.2
125.02379	1.2
134.80635	0.1
137.02382	0.2
139.00331	0.2
145.02916	0.4
149.02431	0.2
151.00348	0.3
151.03984	0.3
160.01637	0.2
163.04102	0.2
165.01956	0.2
168.00722	0.2
169.01382	1.3
175.03905	0.2
191.05588	0.2
193.05209	0.1
203.06998	0.1
235.84540	0.1
285.00342	0.1
289.07388	0.3
297.97705	0.3
301.00089	0.3
312.99942	0.8
328.02225	1.0
332.76950	0.1
343.04605	2.3
344.05045	0.2
344.45041	0.1
383.66034	0.1
548.11017	0.3
551.25269	0.4
552.25354	0.2
629.18939	0.1
651.14148	0.3
651.30493	1.6
713.31171	0.4
714.30865	0.2
715.26733	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4756
Annotation	(2'S)-Deoxymyxol 2'-alpha-L-fucoside
Peak:m/z	Relative Intensity
57.03333	0.4
59.01276	0.4
63.88715	0.3
69.68148	1.6
69.68559	0.7
71.01251	0.4
83.04919	0.6
95.01274	0.7
96.95934	1.6
96.96862	0.3
107.01273	0.7
109.02867	0.6
123.00803	1.4
123.04431	0.4
125.02371	8.6
135.04527	0.3
137.02368	1.0
139.00281	0.5
145.02834	0.3
149.02376	0.4
151.00317	0.5
151.03891	0.7
161.02408	0.4
163.03915	0.4
164.01085	0.5
165.01894	0.6
166.99771	0.4
168.00525	0.6
169.01378	8.4
175.03931	0.4
191.05586	0.4
211.02477	0.9
225.16226	0.4
271.04663	0.9
277.46408	0.3
289.07242	1.1
300.99945	1.1
313.05594	0.7
316.25845	0.3
329.74506	0.3
331.07306	0.3
451.32956	0.3
465.06842	0.5
521.20581	0.7
544.10858	0.7
562.12048	1.4
635.08411	0.5
677.49768	2.4
678.50226	0.6
713.47504	100.0
714.13232	5.2
714.47760	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	713.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.1
57.03331	1.3
58.00484	1.7
59.01264	31.8
60.01590	0.5
61.98701	0.9
67.01763	0.5
68.99693	0.4
69.03333	1.4
70.17860	0.7
70.18269	1.3
71.01271	26.5
72.01598	0.4
72.99197	2.5
73.02838	4.7
75.00756	0.9
81.03349	1.6
83.01266	3.4
85.02847	6.4
87.00771	6.1
87.04428	0.3
89.02336	25.4
91.03904	0.6
93.03358	0.3
95.01273	2.1
97.02858	4.0
98.20448	0.4
99.00790	1.7
101.02347	22.5
106.11013	0.3
109.02859	0.9
109.97383	0.3
111.00766	0.4
111.04412	1.2
113.02352	11.0
114.02609	0.4
115.03929	0.5
119.03419	7.4
121.02916	0.4
123.00786	0.3
123.04389	0.5
124.01615	0.4
125.02368	10.4
126.02732	0.5
127.03826	0.4
131.03409	1.0
133.04953	0.6
137.02356	0.6
139.03958	0.9
141.01816	0.7
143.03424	4.2
149.04495	0.8
161.04518	4.7
163.99376	0.3
167.03363	0.5
169.05125	0.5
179.05557	5.2
185.04451	0.4
199.06154	0.4
217.07187	0.8
221.06659	2.3
235.08260	10.9
236.08652	0.5
245.06630	0.6
253.09363	1.9
255.23332	79.1
256.23685	6.0
263.07840	0.8
269.24927	0.5
277.09482	0.5
287.07831	2.8
289.07196	0.5
305.08838	4.1
323.09912	1.4
345.10733	0.5
361.11526	0.5
379.12369	0.4
397.13583	100.0
398.13962	7.5
415.14658	28.9
416.15027	1.7
458.20029	0.3
497.51144	0.4
499.01932	0.4
563.07574	0.3
653.37689	5.8
654.38098	1.4
657.97620	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64178	0.4
55.01777	0.8
55.03598	0.3
55.60028	0.4
57.03335	0.7
58.00476	1.6
59.01266	26.5
61.98705	0.8
69.03365	0.9
70.13538	1.6
71.01271	24.0
71.56604	0.4
72.01608	0.4
72.99185	1.8
73.02837	3.2
75.00759	0.7
81.03352	0.8
83.01289	2.5
85.02840	4.9
87.00768	5.1
89.02340	20.8
95.01287	1.3
97.02848	3.4
99.00784	1.1
101.02348	19.8
103.00262	0.6
109.02908	0.7
111.37759	0.4
113.02354	9.3
115.03944	0.9
119.03423	5.9
123.04430	0.6
125.02371	8.5
131.03397	0.9
133.04967	0.9
138.29843	0.4
139.03868	0.4
143.03418	3.0
149.04506	0.8
161.04514	4.1
169.05040	0.6
179.05591	3.4
199.03976	0.4
217.07225	0.7
221.06671	1.4
235.05844	0.5
235.08255	10.8
245.06664	0.5
253.09247	2.0
255.23338	70.5
256.23669	5.9
263.07666	0.9
277.09174	0.6
287.07718	2.7
305.08807	4.0
310.83286	0.4
323.09949	0.7
343.08185	0.5
379.12454	0.7
397.13583	100.0
398.13882	7.2
415.14664	28.3
416.15186	2.3
417.67819	0.5
548.11456	0.5
653.37695	5.5
654.37787	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59669	0.6
57.03343	0.9
59.01264	14.6
61.98706	2.8
69.03349	1.5
71.01276	3.3
71.04932	0.9
71.46756	1.2
73.02817	0.8
78.48221	0.8
78.95768	1.0
83.90697	0.8
89.02349	2.6
91.83925	0.6
101.02334	2.7
113.02335	1.3
125.02371	1.9
161.04500	2.1
167.10719	2.5
179.14383	2.6
183.13898	6.1
195.13898	7.2
204.82721	0.7
205.12321	6.4
211.13390	100.0
212.13739	6.4
223.13405	72.2
224.13742	4.4
235.08228	3.2
253.09413	5.7
273.66077	0.7
277.21722	1.7
397.13623	2.0
415.14743	0.8
429.21564	0.9
441.21173	2.1
447.22571	7.4
448.22659	1.5
459.22379	11.8
460.22574	1.2
583.19934	0.8
590.53101	0.9
609.32715	1.4
635.34332	4.0
636.35852	0.9
653.35187	4.0
713.34100	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	713.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	21.8
61.98715	28.4
69.27135	66.9
71.01273	19.5
75.55113	5.7
87.00738	6.5
88.98698	20.5
89.02324	16.3
98.20573	10.8
101.02337	16.3
113.02395	9.9
125.02357	15.0
133.92560	6.2
142.49622	6.8
156.42000	6.4
197.02812	6.4
242.22295	6.2
279.23297	50.5
397.13535	100.0
415.14658	27.3
600.30597	7.2
677.38092	9.0
713.34998	67.0
714.35217	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	713.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.8
61.98701	1.0
63.43067	0.3
67.01779	0.7
68.99693	0.4
69.03338	0.8
69.57928	0.3
71.01270	3.4
71.58780	0.6
72.99207	0.6
78.95791	0.4
83.01281	0.7
83.04955	0.3
85.02831	1.2
87.00768	0.6
89.02332	0.9
95.01299	1.8
96.95908	1.5
97.02847	1.1
99.00778	0.4
99.21100	0.3
101.02334	1.4
107.01286	4.2
107.04964	0.5
109.02850	1.1
111.00793	2.7
113.02362	0.8
116.92770	0.4
117.03394	1.8
119.04941	0.5
122.99899	0.7
123.00801	12.7
123.04423	0.5
124.01662	1.5
125.02372	26.2
126.02686	1.0
127.00250	1.0
132.02097	5.3
133.02885	5.1
134.03671	21.6
135.04497	2.4
136.98799	1.7
137.02339	1.2
138.99397	0.3
139.00336	3.9
139.03891	0.8
140.01091	4.1
141.01842	1.3
143.03491	0.3
145.02867	0.8
149.02332	0.5
149.06036	1.9
151.00308	6.0
151.03946	1.0
153.01837	1.0
153.09134	0.4
158.72592	0.3
159.04462	0.4
160.01611	22.1
161.02394	17.9
161.09648	0.7
162.02831	0.7
163.03993	1.0
165.01866	0.6
166.99835	0.8
167.03357	0.6
168.00581	6.3
169.01385	31.1
170.01723	1.8
175.03963	15.7
176.04387	0.9
177.01898	0.7
178.02663	0.6
179.03424	2.6
181.01398	0.9
183.02895	2.3
187.03976	0.4
191.05557	0.5
193.01395	0.7
193.05037	11.2
194.05347	0.6
203.03387	0.4
205.05061	0.6
205.12378	1.0
207.02997	0.7
211.02486	5.6
217.05089	0.6
223.02466	0.6
223.13353	0.6
225.03888	0.6
237.04015	0.9
241.03575	0.6
245.08157	0.4
245.78964	0.4
271.04581	3.1
289.07315	0.9
295.04666	1.6
296.05453	0.4
296.57898	0.3
300.99954	3.1
302.00406	1.5
311.04056	0.3
313.05661	2.6
390.76495	0.3
418.21222	0.4
423.06757	0.4
442.90259	0.3
490.70663	0.4
519.11414	0.6
519.18848	7.8
520.19196	1.1
537.20013	3.9
547.22614	0.4
551.25317	2.7
713.24652	100.0
714.24969	21.7
739.95013	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1531
Annotation	Fisetinidol-(4alpha->8)-catechin-3-O-gallate
Peak:m/z	Relative Intensity
57.03337	8.6
65.00202	0.6
69.03352	0.9
69.60387	3.8
72.12492	0.5
72.45190	0.5
72.61032	0.5
73.90447	0.5
81.03371	2.1
83.01283	5.4
93.03348	2.6
95.01290	1.9
95.04933	2.9
97.02853	5.9
98.20507	1.1
107.01305	2.2
107.04947	1.0
108.02064	0.7
109.02870	20.5
110.03248	0.7
110.77122	0.4
111.00791	0.6
111.13610	0.5
117.03357	0.6
121.02882	3.6
122.03658	0.8
123.00819	3.2
123.04440	13.6
124.01630	1.3
125.02373	82.3
126.02715	2.5
131.05022	0.7
133.02878	3.1
135.04449	3.6
137.02374	24.6
138.03029	0.6
139.03955	3.0
140.96643	0.6
145.02879	7.9
146.03691	1.6
147.04440	0.8
149.02390	6.6
149.06076	0.5
150.03166	0.9
151.00331	1.1
151.03960	12.4
157.06543	1.2
158.03719	0.6
159.04462	7.1
160.05145	0.7
161.02399	3.8
161.06006	7.1
162.03120	1.6
163.00372	3.3
163.03992	2.7
164.01106	13.7
164.02525	0.7
165.01891	6.9
166.99817	1.0
167.03479	2.2
169.01387	38.5
170.01704	1.4
173.06029	1.1
174.03139	0.8
175.03964	5.8
175.07584	1.8
176.01134	1.5
177.01906	9.2
177.05455	0.8
179.03476	6.1
183.04510	1.6
184.05290	0.7
185.06062	4.6
187.03975	8.1
187.07574	0.7
188.04793	2.6
189.01855	0.7
189.05486	0.8
190.02698	0.6
193.01414	2.3
199.03928	1.3
199.07709	1.3
200.04729	0.6
201.05595	2.3
202.06274	1.6
203.03397	1.0
203.07127	13.3
204.07501	0.9
205.01443	5.7
205.05067	7.7
209.06093	0.9
211.04027	1.9
212.04674	1.1
213.05542	1.2
215.03448	1.0
217.05080	1.5
217.08521	0.6
219.03061	0.9
221.08195	2.4
225.05615	1.6
227.03522	2.1
227.07147	4.4
228.04346	1.3
229.05118	3.8
229.08710	1.2
230.05774	1.0
231.02977	1.2
243.03040	3.9
245.08220	21.7
246.08595	1.1
247.06105	0.8
253.05112	5.1
255.03040	6.2
255.06929	0.7
256.03827	3.1
257.04459	1.2
259.06213	0.8
267.06677	0.7
269.04666	2.1
269.08478	0.7
271.06180	22.7
272.06665	1.4
273.04550	0.8
273.07773	5.9
281.04575	1.6
283.02863	1.0
283.06198	1.2
284.03311	1.2
285.04147	3.0
285.36044	0.6
289.07254	100.0
290.07516	5.5
297.04092	0.7
301.00082	0.9
303.05212	6.4
311.05615	0.6
312.06387	0.7
321.07785	0.7
328.06012	1.0
329.06638	2.6
331.04596	0.7
339.08847	2.0
341.06613	0.6
363.08609	0.7
381.09714	1.5
389.06659	3.6
391.08298	2.6
407.07813	47.8
408.08194	5.5
409.09476	2.2
410.09869	0.8
417.09866	4.0
425.08804	1.2
435.10959	17.8
436.11401	1.8
441.08322	20.0
442.08530	2.9
455.62500	0.6
525.12030	1.7
543.13159	5.9
544.13293	0.7
559.08728	2.2
560.08691	0.7
561.14191	12.2
562.14099	1.9
577.09808	1.2
587.12305	3.9
588.12207	1.0
695.14636	1.4
713.14539	5.2
714.14264	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	713.153
Annotation	Fisetinidol-(4alpha->8)-catechin-3-O-gallate
Peak:m/z	Relative Intensity
57.03338	9.1
57.43968	0.7
69.03345	0.6
69.96880	1.6
69.97283	1.2
81.03346	2.7
83.01282	4.7
90.48246	0.6
93.03359	2.6
95.01292	1.4
95.04932	2.5
97.02847	6.1
107.01296	0.6
107.04958	1.2
108.02083	1.3
109.02864	19.5
117.03409	0.8
120.02109	0.7
121.02872	3.5
122.03696	1.1
123.00805	2.6
123.04449	13.4
124.01536	1.1
124.04799	0.8
125.02367	80.8
126.02702	2.0
133.02872	3.4
135.04414	2.5
137.02376	25.2
138.02808	1.3
139.03867	2.7
143.04973	0.7
145.02895	7.7
146.03691	2.1
147.04404	0.6
149.02380	7.5
151.03961	11.6
159.04463	6.4
160.05203	0.7
161.02406	4.8
161.06012	7.0
162.03140	1.0
162.06404	0.6
163.00299	1.8
163.03984	3.0
164.01103	13.6
165.01903	7.6
166.02518	0.6
166.99774	1.6
167.03429	1.7
169.01379	32.9
170.01750	0.7
173.02438	0.7
173.06067	1.7
174.03207	0.7
175.03963	4.5
175.07628	1.0
176.01109	0.7
177.01875	6.5
177.05489	0.8
179.03491	6.0
183.04462	1.4
184.05186	1.1
185.06013	3.7
187.03972	6.8
187.07607	0.6
188.04692	3.6
189.05528	1.3
193.01451	2.7
197.06041	0.7
198.72050	0.5
199.03917	1.6
199.07596	0.9
200.04539	0.6
201.05499	2.7
202.06342	1.6
203.07118	13.0
204.07484	1.1
205.01465	4.1
205.05040	7.6
206.05487	0.7
209.06096	1.5
211.04004	1.6
212.04771	0.6
213.78362	0.6
217.05075	1.7
219.02953	1.2
221.08182	2.4
225.05595	0.9
225.53046	0.6
227.03525	1.8
227.07153	3.5
228.04237	1.2
229.05052	3.0
229.08554	1.1
230.05611	0.8
231.02971	1.6
241.04987	0.7
243.02895	3.0
245.08244	18.0
246.08565	1.7
247.06107	1.3
253.05060	4.5
255.02979	3.9
256.03799	2.4
257.04584	1.3
259.06143	0.7
269.04617	1.0
271.06180	24.9
272.06537	1.4
273.04547	1.1
273.07776	5.3
281.04562	1.8
283.06015	0.9
285.04062	0.8
287.05612	1.0
289.07245	100.0
290.07617	7.5
303.05203	3.9
303.64304	0.6
304.05402	0.7
311.05472	0.9
329.06754	1.6
339.08807	1.6
363.08713	0.7
381.09863	1.0
389.06714	2.5
391.08255	1.7
407.07803	28.3
408.08020	3.2
409.09280	1.6
417.09982	3.4
423.07672	0.7
425.08838	1.4
435.11008	12.6
436.11337	2.0
441.08344	24.2
442.08633	2.4
498.19702	0.7
525.12152	0.8
543.13251	6.5
544.13373	1.7
559.08911	2.0
561.14117	15.0
562.14386	3.3
577.10272	1.1
587.11768	2.4
604.73218	0.8
713.15466	5.7
713.26752	0.9
714.15662	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.419
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21416	0.2
57.03333	0.2
58.00469	0.3
59.01267	33.9
60.01596	0.4
61.98721	3.5
70.02654	0.2
71.01272	1.6
71.56216	0.2
71.56602	0.2
72.02051	0.2
72.99165	0.2
73.02853	0.4
73.95427	0.2
77.15148	0.2
78.95794	0.3
83.01263	0.3
85.02863	0.5
89.02346	1.2
93.03354	0.3
95.01283	0.3
96.95913	0.4
98.98682	0.2
101.02365	1.6
109.02844	0.3
113.02340	1.1
113.37002	0.1
119.03441	1.2
123.04447	0.3
125.02365	1.3
137.02412	0.6
145.02902	0.2
151.04016	0.3
152.99527	0.2
160.65710	0.2
161.04494	0.4
163.03963	0.2
165.01950	0.3
169.01398	0.9
171.10333	0.2
174.95233	0.2
207.10233	0.9
209.11810	1.1
211.13432	1.1
221.06654	0.2
225.11426	0.7
227.12892	0.4
253.09422	0.2
287.22003	0.2
289.07382	0.3
297.97458	0.2
300.99957	0.2
312.99963	0.4
327.26019	0.2
328.02457	0.4
343.04578	0.8
344.04980	0.2
373.23950	0.2
461.20566	0.2
487.34415	100.0
488.34756	18.0
501.31238	0.3
501.36008	0.7
529.35406	0.6
637.32422	0.3
649.39642	2.4
650.40265	0.6
655.33185	0.3
671.32550	0.4
709.14557	0.3
709.41998	8.5
710.31042	0.3
710.42535	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01785	0.3
57.03341	1.5
58.00482	0.7
59.01266	6.5
60.75589	0.3
69.03355	0.6
71.01271	5.9
71.03982	0.2
72.99191	0.6
73.02841	1.0
75.30189	0.3
78.95798	0.7
81.03342	0.5
83.01297	0.7
83.04916	0.9
85.02839	1.8
87.00769	1.3
89.02341	3.9
95.04933	0.7
97.06490	3.7
99.00793	0.3
101.02344	5.1
113.02370	2.6
119.03438	1.1
123.08163	0.3
125.02416	0.4
130.78555	0.3
133.10194	0.4
143.03362	0.4
143.56537	0.3
149.09628	0.3
151.11230	13.3
152.11563	0.8
152.99551	0.8
161.04533	1.7
169.12299	100.0
170.12628	5.5
179.05566	0.5
183.13887	0.3
193.12454	0.3
195.10254	1.8
211.13231	0.5
213.11313	12.1
214.11626	0.7
225.14990	0.6
235.08229	1.1
253.09331	3.0
254.87370	0.3
277.21786	23.8
278.22150	3.1
287.15045	0.4
355.85324	0.3
405.21426	0.5
431.19244	2.2
432.19418	0.3
449.20367	6.6
450.20645	0.7
709.41840	87.1
710.42212	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	709.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.8
57.03336	2.6
59.01262	6.2
65.37003	0.5
69.03336	0.8
71.01282	5.8
71.58068	0.4
72.99198	0.5
73.02841	1.9
78.95787	1.3
83.01270	0.9
83.04917	1.4
85.02863	1.5
87.00774	1.5
89.02335	2.5
95.04942	1.6
97.06494	6.2
97.39381	0.4
101.02330	4.0
113.02354	2.0
119.03407	0.5
123.08072	0.6
125.09666	0.5
145.04959	0.6
149.09712	0.7
151.11227	19.4
152.11482	0.7
152.50275	0.5
152.99596	0.5
161.04480	1.7
165.09549	0.4
169.12292	51.7
170.12633	3.5
178.56465	0.4
179.05562	0.5
195.10287	2.9
211.13287	0.8
213.11317	7.8
225.15022	1.0
235.08318	1.7
253.09355	2.9
277.21777	57.5
278.22156	5.3
305.17133	0.5
431.19196	2.1
449.20325	2.6
474.29123	0.4
525.42816	0.5
529.54089	0.4
547.37152	0.6
709.41833	100.0
710.42242	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58111	2.7
59.01253	13.2
61.98714	8.9
62.89172	2.5
70.71783	4.6
70.72147	7.0
71.01270	7.4
73.02858	3.6
78.95804	3.5
87.00786	3.6
90.63076	3.0
97.02899	3.2
101.02310	4.9
109.06526	5.4
113.53988	2.8
125.02397	5.6
125.05967	3.0
129.37872	2.5
163.11174	2.9
169.01389	3.5
171.10208	9.9
183.13907	11.3
199.09723	34.2
207.10272	10.9
209.11803	7.0
211.13393	100.0
212.13828	8.1
224.81313	2.8
225.11354	8.9
235.08266	5.0
252.96350	2.7
253.09340	10.3
375.21838	3.6
401.23260	4.8
417.17679	3.4
435.18896	5.9
447.22443	10.8
593.30005	9.1
611.30853	6.5
629.32068	3.4
637.32629	5.2
641.35754	4.7
655.33765	9.4
709.35547	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	709.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16016	5.4
59.01264	24.7
61.98731	29.6
71.01254	23.3
84.79687	5.7
89.02332	9.1
109.06506	7.8
113.02371	5.5
121.16602	5.6
125.94185	4.6
165.12796	6.0
166.07039	5.3
171.10172	10.9
181.08601	6.1
183.13867	53.6
199.09720	26.9
207.10289	13.0
209.11838	32.2
211.13385	100.0
225.11232	6.4
227.12886	11.6
235.08157	12.8
253.09308	16.5
293.21140	5.8
352.64163	5.3
375.21823	7.3
447.22440	11.7
463.22214	7.4
611.30835	10.1
629.31964	5.7
637.33179	5.7
655.34052	8.5
673.33771	9.6
709.31903	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	709.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97351	0.7
57.03351	0.8
59.01268	9.6
61.98722	8.6
68.69129	0.6
70.24847	0.6
70.73338	0.6
70.80267	1.9
71.01268	11.9
72.99204	0.9
73.02822	1.8
75.00781	1.2
78.95796	2.9
80.02567	0.9
81.03354	1.0
81.53536	0.6
83.01283	1.2
83.04926	2.4
85.02838	2.3
87.00785	1.3
88.98705	0.8
89.02329	4.8
93.03342	0.7
93.74281	0.8
96.95909	1.3
97.02853	4.1
97.26193	0.6
99.00803	1.0
100.11008	0.7
101.02350	7.1
109.02828	0.8
109.06495	13.5
109.07185	1.3
112.87946	0.6
113.02370	2.7
119.03411	1.9
121.02892	0.9
121.06492	1.1
125.02409	1.5
135.08090	1.0
136.05243	1.0
142.02644	0.9
143.91016	0.7
145.05029	1.3
152.99513	1.8
161.04553	1.8
161.45113	0.7
163.11230	7.7
165.12804	1.3
171.10255	2.0
181.12300	2.1
183.13866	18.4
183.30748	0.8
184.14212	1.8
185.11819	1.5
190.63776	0.8
193.12291	1.3
199.09744	2.1
201.11308	1.0
207.10265	43.6
208.10538	2.0
209.11827	9.0
211.13388	100.0
212.13765	5.2
225.11337	22.4
227.12875	3.8
235.08257	5.5
243.12286	1.0
253.09331	9.1
339.23349	0.8
373.24057	2.4
375.21677	1.1
383.22198	3.0
383.26715	0.8
391.24973	2.6
401.23221	5.6
402.23962	0.9
419.24399	2.9
443.19186	2.5
447.22556	2.4
461.20435	7.0
462.20721	1.1
529.93823	0.7
609.32605	1.9
611.31219	0.9
629.32477	1.2
637.32336	8.3
638.32758	2.1
655.33514	12.7
656.34088	4.2
673.34399	1.2
709.32239	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48772	0.5
57.03337	1.1
59.01274	3.3
62.49999	0.5
65.00197	0.5
67.01770	1.0
70.44924	0.5
71.01267	4.1
71.61212	0.7
72.99189	1.2
73.02827	0.6
75.29993	0.5
78.27016	0.5
79.01767	0.5
83.01286	1.1
85.02851	1.3
87.00782	1.0
89.02344	1.6
93.03362	2.0
95.01293	3.6
96.95922	0.7
97.02859	2.2
99.00803	0.5
101.02351	2.1
107.01294	8.9
107.01964	0.8
109.02856	2.1
111.00802	3.5
113.02332	3.7
117.03388	0.6
119.03380	0.6
119.04932	0.8
123.00788	12.3
123.04441	1.4
124.01561	1.6
125.02370	50.6
126.02713	1.4
127.00301	1.8
133.06445	0.5
136.98743	2.0
137.02376	3.0
139.00327	4.7
140.01091	4.7
141.01855	1.6
145.02881	1.0
149.02374	1.2
149.09688	0.8
149.30785	0.5
151.00316	5.2
151.03979	1.0
153.01949	0.7
161.02357	0.8
161.04587	0.7
161.06047	0.6
163.00223	0.7
163.03914	1.7
164.01114	1.0
165.01909	1.0
166.99846	1.4
168.00601	6.0
169.01381	53.1
170.01717	2.6
173.04498	2.6
175.03973	1.1
177.01846	1.2
179.03448	0.7
179.10699	3.1
181.01384	0.7
193.01398	1.6
195.03081	0.6
203.07156	1.1
205.01611	0.6
205.05069	1.0
211.02463	5.7
217.83633	0.5
223.09766	3.8
227.03494	0.7
237.04062	0.7
249.04134	0.7
253.03479	0.5
269.04602	10.8
271.04480	3.8
289.07187	3.1
290.07574	2.1
291.07803	1.4
295.04791	0.7
300.99942	3.0
313.05710	1.8
329.06308	0.6
337.02115	2.3
367.14117	0.6
385.14914	1.4
466.45395	0.6
481.17569	0.8
521.20520	0.8
539.21442	7.3
540.21924	1.8
547.20117	3.0
557.22467	9.2
558.22766	1.3
709.23676	100.0
710.23956	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	709.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	1.4
59.01268	7.1
61.98719	18.5
67.01768	1.8
68.99738	0.7
69.03334	3.0
71.01276	6.6
72.99206	1.2
75.00791	0.7
76.75279	0.7
78.95792	1.7
79.01784	1.8
79.60163	0.8
81.03341	1.4
83.01284	1.8
83.04934	0.9
85.02856	1.9
87.00762	2.2
88.98687	1.7
89.02338	1.9
93.03362	1.9
95.01299	5.4
95.04945	1.0
96.95919	2.3
97.02854	2.8
98.20551	1.7
99.00803	1.4
101.02354	2.2
102.58696	0.7
107.01295	9.5
107.04938	0.9
108.02082	6.9
109.02865	4.5
109.06471	0.8
111.00776	3.0
113.02340	2.2
121.00555	0.7
121.02861	1.0
123.00797	16.0
123.04454	2.3
124.01652	4.4
125.02371	67.7
126.02686	2.4
127.03896	0.8
135.00800	1.1
135.04396	1.0
136.98746	1.8
137.02379	3.9
139.00281	5.0
139.03955	1.0
140.01129	3.8
141.01813	1.3
145.02962	1.2
149.02426	0.8
149.99539	1.5
151.00352	6.6
151.03932	2.5
152.01100	9.4
153.01852	3.0
159.04468	1.5
161.02364	1.9
163.03963	1.5
165.01891	1.3
166.99800	5.9
168.00604	13.4
169.01385	71.3
170.01700	2.7
171.10240	10.2
175.03966	1.8
177.01927	1.3
179.03432	1.9
181.01369	1.4
185.06020	0.8
187.03957	2.2
191.03403	1.0
193.01367	2.4
193.98558	21.6
194.99326	10.0
207.10257	2.3
209.11830	14.0
210.12222	1.0
211.02434	2.9
211.13383	5.4
215.03479	2.2
223.02534	1.8
225.11311	2.4
227.12950	4.2
231.02934	0.9
237.03957	4.7
242.02168	0.9
243.03192	1.8
253.09358	2.4
259.02469	2.3
259.20065	0.9
260.03195	0.9
287.02066	2.3
289.07166	2.2
295.04614	2.8
296.05576	1.9
297.06183	2.9
297.97552	1.0
301.00031	1.7
312.99887	2.3
313.05707	11.2
328.02130	1.4
343.04724	2.9
405.08240	1.5
431.06293	2.1
447.22308	1.0
448.06631	1.1
449.07388	7.9
463.22165	1.2
465.06543	3.8
487.34586	6.9
498.18497	0.9
601.08508	13.2
602.08942	2.5
618.08917	3.7
637.32526	2.9
655.33160	2.7
709.14276	100.0
710.14514	22.8
718.90094	0.8
722.27618	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68689	0.5
57.03305	0.6
59.01203	40.1
59.01530	3.5
60.01543	0.5
61.98655	22.9
61.99003	1.6
63.53724	0.4
69.34047	0.9
69.34451	4.1
71.01268	2.3
74.04271	0.4
78.95750	0.9
80.96384	0.7
85.02788	0.9
88.98647	0.6
89.02269	1.9
89.02769	0.4
95.01221	0.6
96.95828	1.2
101.02287	1.6
103.16354	0.5
109.06438	0.5
110.20692	0.5
113.02301	1.4
119.03365	1.1
122.70326	0.5
125.02265	1.3
127.03833	0.9
137.02335	0.5
145.21199	0.4
151.03876	0.6
161.04453	1.0
165.01735	0.5
169.01369	0.7
238.61935	0.5
264.57239	0.5
287.22299	1.2
289.07254	1.1
291.19824	1.0
300.99799	0.6
388.96100	0.5
419.17029	0.9
455.31625	2.5
456.31979	0.7
466.83572	0.5
467.42792	0.5
485.32834	100.0
486.33212	14.5
499.34570	1.1
609.00507	0.5
644.39532	0.9
645.38330	2.4
647.37964	2.4
707.40479	16.2
708.40540	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	707.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.2
58.00478	0.2
59.01264	3.2
69.03326	0.5
69.69681	1.0
71.01266	2.1
72.99198	0.2
73.02818	0.4
78.95797	1.2
81.03341	0.2
83.01274	0.4
83.04910	0.5
85.02839	0.6
87.00772	0.4
89.02343	1.7
91.03906	0.3
95.01297	0.2
97.02894	0.2
101.02347	2.1
109.06484	0.4
113.02348	1.1
119.03420	0.5
125.02377	0.2
136.67371	0.2
143.03439	0.4
152.99518	1.4
161.04507	1.2
165.12788	0.3
167.10727	0.4
167.14381	0.5
175.71602	0.1
179.05557	0.7
181.12170	0.2
183.13872	6.6
184.14207	0.4
193.12311	1.7
207.10275	0.6
211.13387	100.0
212.13731	5.6
225.11369	0.6
227.20181	1.9
235.08266	1.6
253.09334	6.8
253.21732	0.4
254.09712	0.4
275.20203	0.2
277.21786	55.2
278.22141	4.7
361.10800	0.3
429.21423	0.6
447.22430	4.9
448.22791	0.6
453.15662	1.3
513.30084	0.2
578.86725	0.2
703.06769	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87141	1.7
59.01271	14.4
61.98425	2.2
61.98722	36.1
71.01274	23.6
71.61472	2.4
72.99189	1.8
73.02814	2.1
78.95798	10.1
80.02554	2.3
81.03315	1.7
82.08669	1.7
83.04912	5.6
85.02848	3.8
87.00765	7.3
88.98710	3.9
89.02340	4.8
96.44527	1.9
96.95911	2.0
97.02863	3.6
101.02358	6.3
109.06496	15.4
113.02353	2.8
120.23412	1.5
125.02365	7.2
125.09637	3.5
135.08098	3.4
152.99503	3.5
161.02266	2.2
161.04562	2.4
161.09538	2.1
163.11240	12.9
165.12811	2.2
169.01311	4.3
171.10217	11.4
172.10493	2.6
179.05550	2.2
181.12325	2.0
185.11847	1.9
189.09250	2.4
197.11894	1.8
201.11234	3.9
207.08354	3.6
207.10266	52.8
208.10562	5.5
209.11833	100.0
210.12202	10.9
211.13429	2.7
223.57162	1.5
225.11331	30.3
226.11647	5.5
227.12924	27.4
235.08235	4.0
248.76617	1.8
249.11317	1.8
253.09332	17.8
254.09677	1.7
265.94855	1.8
289.07364	2.7
335.61279	1.7
346.98383	1.5
399.21698	8.8
417.22852	6.3
443.19214	6.0
445.20779	4.9
461.20337	14.0
463.21054	2.9
467.51868	1.7
485.20389	2.3
485.33221	2.1
594.47589	1.9
627.30524	2.6
635.30859	31.5
636.30652	5.0
653.31903	28.1
654.32117	4.8
671.32941	40.6
672.32965	10.4
707.30640	42.3
708.30817	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	707.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02177	0.4
57.03348	2.4
59.01278	1.6
64.45522	0.6
65.00224	0.6
69.03368	0.5
71.01289	0.8
71.61584	0.9
81.03342	2.3
83.01279	5.2
89.02351	0.5
93.03355	5.1
95.01308	1.1
95.04948	3.2
96.95914	0.8
97.02859	7.3
99.04399	0.7
101.02364	0.4
107.01274	0.6
107.04949	0.8
108.02115	1.4
109.02862	20.6
111.00826	0.7
111.04452	0.5
114.40029	0.4
117.03403	1.2
119.03448	0.6
119.04986	1.7
121.02888	3.8
122.03667	1.5
123.00835	1.3
123.04442	16.1
124.04741	0.8
125.02369	19.0
126.02703	0.6
131.04913	0.5
133.02882	2.5
133.06496	0.8
135.00848	0.5
135.04468	3.3
137.02379	21.6
138.02998	0.5
139.00240	0.6
139.03961	3.6
143.04950	0.6
145.02866	3.1
146.03677	1.4
147.04398	1.0
148.01671	0.6
149.02388	6.1
150.03174	1.4
151.00417	0.6
151.03944	8.3
153.01924	0.5
157.06610	0.7
157.62196	0.4
159.04485	4.0
159.10234	0.6
160.05225	1.7
161.02383	4.8
161.06041	6.1
162.03195	1.8
163.00343	3.8
163.03967	1.9
164.01105	4.9
165.01884	4.6
166.02693	0.7
166.99780	0.7
167.03470	1.8
169.01366	4.2
173.04594	0.8
173.06046	1.2
174.03210	0.7
175.03964	4.3
175.07620	1.8
176.01093	4.8
177.01898	8.3
177.05551	0.9
178.02428	0.5
179.03456	5.3
182.42966	0.5
185.06070	1.8
186.06799	0.5
187.03989	4.3
188.04736	3.6
189.01909	5.4
189.05534	1.5
190.02667	1.0
191.03465	0.6
193.01280	0.6
199.07692	1.0
201.01866	1.2
201.05591	1.3
202.06381	1.8
203.03488	1.7
203.07132	14.0
204.07477	0.8
205.01430	5.6
205.05057	8.6
206.05408	0.6
212.04794	0.6
213.05637	0.5
215.03470	1.0
216.00644	5.7
217.01352	2.5
217.05084	0.5
217.08658	1.0
221.08128	2.1
225.05467	0.6
226.06276	0.7
227.03479	2.0
227.07115	2.4
228.81075	0.4
229.01494	1.8
229.05037	4.0
229.08734	0.8
230.05827	1.1
231.03000	1.0
237.43654	0.4
241.05138	2.2
243.06665	0.6
245.04535	0.6
245.08234	15.1
246.08589	1.4
247.06061	2.5
248.06514	0.5
253.05028	1.2
255.03058	0.8
255.06622	1.3
267.06787	0.8
269.04648	1.8
271.06219	8.5
272.06686	0.7
273.00613	0.9
273.07794	8.6
274.08063	0.9
279.06693	1.0
281.04593	1.8
282.05365	1.8
283.06097	3.0
285.07761	0.8
289.07254	100.0
290.07568	7.8
295.06155	1.6
301.00012	2.7
302.00201	0.6
305.04617	0.8
306.05280	0.5
307.06152	0.8
310.04868	5.6
311.05679	6.9
312.06183	0.9
321.07761	3.0
321.15570	2.2
323.05673	8.7
324.06085	1.2
328.06055	3.2
329.06790	5.7
330.07187	0.6
357.07489	0.5
363.08676	0.9
365.06741	1.2
399.08911	1.0
407.07895	0.7
417.09927	11.3
418.10315	1.6
419.07950	0.9
433.09366	1.0
435.10934	14.7
436.11401	1.5
439.12555	0.5
441.09680	0.7
459.06281	0.7
459.11700	0.8
509.12473	1.0
527.13586	1.1
533.23987	0.9
538.20374	0.6
539.20758	1.3
551.13336	0.7
553.11554	3.9
554.11987	0.8
555.13190	5.1
571.12457	2.9
572.13062	0.5
577.11682	0.6
645.17712	0.8
663.19147	0.8
671.15674	1.6
689.16595	5.5
690.17609	0.8
703.32349	0.5
707.17810	18.1
707.46851	0.9
708.18378	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	706.331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.1
58.71944	0.1
59.01266	0.5
59.57563	0.1
61.98719	100.0
62.93099	0.1
62.98425	0.2
71.01265	0.4
83.04927	0.2
87.00790	0.2
88.98733	0.1
89.02328	0.2
96.95924	0.1
101.02362	0.3
103.46512	0.1
113.02339	0.2
113.52161	0.1
119.04959	0.3
125.02379	0.2
137.02425	0.1
140.06863	0.1
144.51553	0.1
145.03008	0.1
163.43616	0.1
165.12817	0.3
166.13165	0.1
169.01408	0.2
169.12206	0.1
178.92664	0.1
183.13896	1.8
184.14217	0.8
197.11877	0.3
198.12094	0.1
209.11826	1.8
210.12151	0.8
227.12999	0.3
235.08022	0.1
253.09325	0.3
438.78391	0.1
502.32626	0.1
506.80017	0.1
523.33014	0.2
643.39185	0.4
673.34760	0.4
674.34888	2.5
675.34979	0.2
706.38373	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14940	0.7
59.01274	8.1
61.98719	100.0
69.21567	0.6
71.01259	2.1
71.58954	1.3
83.04890	1.2
85.02930	0.9
88.98705	1.6
89.02373	0.8
96.95901	2.2
101.02351	1.4
107.53708	1.0
117.55783	0.7
119.04927	6.3
123.00806	0.8
125.02362	2.5
127.03976	1.8
140.61990	0.8
145.02901	2.9
151.03937	1.0
163.03996	1.0
165.40358	0.8
169.01395	2.5
197.11751	1.4
203.53673	0.8
207.10286	0.9
209.11832	4.8
211.13318	1.0
225.11313	1.5
253.24831	0.9
269.98083	3.6
285.00610	4.6
297.97589	14.5
298.97964	1.9
301.00034	1.3
312.99976	29.0
314.00598	3.6
328.02316	40.3
329.02783	5.4
343.04672	80.6
344.04996	9.3
455.31891	1.2
467.31705	1.3
485.33066	8.9
523.32947	1.9
643.38684	4.6
644.39160	5.2
645.38617	1.6
647.38202	1.4
657.18561	6.6
707.38275	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92796	0.2
55.01769	0.3
57.03320	0.3
59.01261	2.1
61.98717	8.7
67.50190	0.2
68.38552	0.2
70.19163	0.4
70.19581	0.6
71.01274	2.3
72.99197	0.3
73.02827	0.4
80.02570	1.1
81.03362	1.1
83.01267	0.6
83.04919	4.4
84.02060	0.7
85.02843	0.8
87.00772	0.6
88.98689	0.4
89.02347	1.5
95.01310	0.2
95.04913	0.8
96.95901	0.4
97.02843	0.3
97.06490	0.2
98.20472	0.3
99.00768	0.3
101.02352	1.8
109.02849	0.3
109.06529	0.3
113.02332	0.9
117.03411	0.3
119.03438	0.6
121.02966	0.2
123.00797	0.4
125.02356	1.7
125.05983	0.5
125.09670	0.3
135.08064	0.7
137.02371	0.5
139.00418	0.2
145.02931	0.5
147.11742	0.3
151.00391	0.2
161.02362	0.3
161.04494	0.7
163.03925	0.3
163.11246	3.5
164.11578	0.3
165.12804	2.1
166.99968	0.2
169.01358	0.9
171.10193	1.0
177.01840	0.2
179.05502	0.3
181.12262	0.5
191.10773	1.0
201.11443	0.2
207.10262	0.4
209.11829	100.0
210.12161	5.8
225.11382	0.4
227.12897	14.1
228.13277	0.9
235.08257	1.6
247.13412	0.3
253.09354	5.4
254.09679	0.2
259.15570	0.9
265.14325	0.3
289.07187	0.3
301.00037	0.3
365.28650	0.2
433.24579	0.5
445.20969	1.7
637.32367	0.6
643.28149	0.2
647.63385	0.2
655.33228	0.4
667.39020	0.2
705.28729	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.352
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03920	0.1
59.01268	0.3
61.98719	100.0
62.98419	0.1
66.67275	0.1
66.91578	0.1
70.14997	0.3
78.95813	0.3
80.06710	0.1
80.21671	0.1
87.63409	0.1
92.74065	0.1
106.12277	0.1
125.02382	0.1
127.40035	0.1
152.99608	0.1
183.13849	0.1
184.14186	0.1
209.11804	0.1
211.13403	1.9
212.13741	1.6
213.14012	0.6
214.14297	0.1
299.86545	0.1
394.22552	0.1
449.23074	0.1
669.41150	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	705.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98358	1.2
57.03334	1.5
57.39189	1.1
58.91026	1.0
59.01264	11.3
61.98422	2.2
61.98719	31.8
64.49294	1.1
71.01270	100.0
71.04908	1.3
72.01592	1.3
72.99181	1.8
73.02840	2.7
78.95799	6.2
80.96416	5.2
81.03342	1.5
81.65348	1.2
83.01304	2.3
83.04930	1.4
85.02850	2.6
87.00780	3.1
88.98664	1.6
89.02344	4.2
89.11714	1.5
94.97987	1.6
95.01240	1.3
97.02827	2.5
97.06457	1.7
99.00806	1.5
101.02329	7.9
101.65753	1.5
107.04924	1.3
109.06509	11.3
113.02343	3.3
115.60114	1.4
119.03397	1.4
125.02367	2.4
125.09653	1.7
135.08124	2.6
141.52963	1.2
142.02585	2.1
148.92216	1.2
152.99480	3.7
153.58858	1.4
161.04495	1.3
163.11287	8.7
169.01370	1.3
169.12289	1.5
171.10211	5.1
181.12271	4.7
183.13834	5.2
193.12247	1.6
197.11790	3.9
199.09879	1.2
199.13445	6.2
201.11307	3.3
207.08345	2.0
207.10242	29.4
208.10587	2.5
209.11818	47.8
209.13794	2.8
210.12294	2.3
211.13397	68.2
212.13634	3.7
223.13390	19.5
225.00719	1.7
225.11299	26.3
227.12891	16.5
229.30943	1.5
235.08223	2.7
243.12390	4.6
244.87975	1.4
253.09322	10.6
265.06140	1.5
273.17007	1.6
277.21725	1.6
315.36829	1.4
373.23953	1.8
383.22000	1.6
391.24792	1.4
401.23264	4.7
419.24261	1.9
443.19235	1.8
445.20752	3.3
459.22458	3.2
461.20123	6.2
637.32275	3.9
644.25110	1.3
651.33820	2.7
655.32831	6.1
656.33948	2.7
673.34143	6.2
705.33386	16.8
705.48633	1.3
706.32733	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	704.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	10.9
60.01605	0.8
61.01698	0.3
61.98718	100.0
62.98423	0.1
62.99134	0.1
78.95810	0.1
80.95712	0.1
112.54135	0.1
125.02354	0.2
145.85774	0.1
151.04045	0.1
152.99637	0.1
171.06325	0.1
209.11961	0.1
277.21823	0.3
279.23331	0.1
382.44193	0.1
388.49802	0.1
440.13553	0.2
441.13632	0.3
454.14572	0.2
455.15076	0.1
482.15466	0.5
483.15399	1.7
484.15543	2.5
485.15976	0.2
496.16583	0.2
497.16983	0.5
498.17139	0.8
499.18295	0.2
500.18768	0.5
542.16620	0.6
543.16785	0.7
555.18787	0.2
556.18994	0.7
557.18982	2.7
558.19293	4.0
559.19537	0.2
573.16125	0.1
574.15894	0.6
575.15924	1.2
588.17395	0.4
589.17487	0.4
630.21198	0.2
643.23126	0.9
644.23041	2.9
645.23761	0.2
703.24994	1.3
703.38690	0.1
704.24933	8.0
705.24115	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28627	0.1
59.01255	0.2
61.98717	100.0
62.98425	0.2
71.01280	0.2
71.59895	0.1
71.60292	0.1
78.95806	0.5
152.99536	0.2
162.04024	0.1
209.11899	0.2
211.13429	0.4
212.13815	0.3
221.85162	0.1
257.40475	0.1
661.49371	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	703.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80960	0.9
55.01786	0.9
57.03335	1.8
59.01263	26.7
61.98718	12.9
63.22705	0.8
69.03344	1.1
71.01271	26.6
72.99213	3.0
73.02837	3.5
75.00771	1.2
78.95794	1.9
80.02576	2.7
81.03364	4.0
81.42427	0.9
83.01281	3.5
83.04916	13.6
84.02072	1.7
85.02837	6.7
87.00752	4.6
88.98725	1.3
89.02344	9.0
95.01296	2.6
95.04935	1.9
96.95909	1.4
97.02849	5.7
98.20496	2.2
99.00780	3.0
101.02345	12.4
101.06019	1.0
109.06499	18.2
111.00797	1.9
111.04423	9.0
113.02339	5.7
119.03416	2.2
119.04942	1.4
121.06512	1.6
123.00817	2.1
123.08096	1.6
124.01555	1.3
125.02374	8.7
125.09618	2.3
127.03960	1.0
129.05478	1.0
135.08092	3.0
137.02452	2.0
138.03183	1.7
139.00288	1.0
139.03912	1.5
140.01038	1.2
141.09232	1.2
142.02641	1.9
145.02902	1.4
145.04939	1.0
152.04707	5.0
155.10771	0.8
161.04536	2.1
161.09647	1.3
163.11246	15.8
165.12840	1.8
169.01395	5.7
171.10196	2.2
181.12326	4.2
185.11821	2.8
189.09163	2.1
197.11803	17.2
207.10257	49.2
208.10641	3.6
209.11819	100.0
210.12109	7.4
211.13402	3.4
225.11330	27.0
226.11638	2.4
227.12860	15.9
235.08170	4.9
247.13460	1.6
253.09338	10.2
289.25528	1.1
300.99747	1.3
307.26740	1.5
309.24405	1.0
323.25964	1.4
325.27618	3.5
333.24222	1.5
351.25458	4.1
353.27020	2.7
369.26410	1.9
373.24216	1.1
399.21863	5.0
401.30698	2.1
417.22949	2.5
419.31738	6.4
437.32889	11.0
438.33295	1.7
443.19302	3.2
461.20395	6.8
463.30566	1.5
513.30725	4.6
515.32202	7.2
519.44562	1.2
529.34192	2.0
551.24988	3.0
573.32727	1.6
575.34534	6.8
576.35547	1.3
581.36768	1.8
599.38129	31.6
600.38434	6.8
625.36108	54.3
626.36401	13.3
627.30585	1.0
635.30829	13.1
636.30640	1.6
643.37006	5.1
644.36780	1.5
653.31995	12.6
654.32550	3.2
659.40320	11.6
660.40808	2.3
671.32898	21.1
672.33887	5.0
685.38214	52.9
686.38702	12.2
703.26929	5.8
703.39221	18.3
704.26978	1.7
704.39496	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	703.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19508	65.8
57.04657	66.0
63.65583	75.7
73.11674	76.5
78.95732	100.0
129.81020	73.9
133.20784	69.4
166.53061	73.3
171.10222	90.9
217.66815	75.0
229.20831	79.3
241.14413	91.2
277.21533	86.5
509.18533	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19016	6.8
59.01244	11.5
62.36025	6.6
63.92991	7.7
78.95811	21.5
109.06503	17.3
148.36732	7.7
173.52347	8.2
197.20367	7.7
207.10173	41.5
241.14557	17.1
253.09163	8.5
255.23247	20.2
277.21793	100.0
333.44910	8.2
342.30811	7.6
353.76102	8.4
442.20517	7.8
543.07361	9.2
574.82782	9.4
703.40784	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	703.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	12.4
61.98713	20.4
69.28297	11.6
71.01270	8.2
73.02827	1.7
78.95805	2.2
79.95634	1.1
80.96407	4.5
81.03349	4.3
82.03786	1.2
83.01276	1.2
83.04912	6.0
84.02068	2.0
85.02815	1.9
87.00763	2.0
88.98718	2.6
89.02336	4.7
93.03363	1.3
94.97965	1.5
96.95914	8.4
96.96853	1.6
97.02866	4.3
99.00781	1.5
101.02379	6.5
107.04907	2.1
109.02863	1.6
109.06510	21.2
113.02379	3.3
119.03426	2.3
121.02818	1.1
121.06548	1.1
122.03684	1.3
123.00763	1.3
125.02355	9.3
125.09601	1.5
127.03959	1.3
135.08093	5.4
136.05226	1.4
143.03493	1.1
145.02972	1.8
145.05055	1.3
151.00339	1.4
151.03952	1.9
161.09647	1.4
163.03963	1.3
163.11235	15.2
165.01839	1.1
165.12854	2.0
169.00024	1.2
169.01335	6.1
171.10213	2.9
181.12270	4.1
185.11806	1.7
189.09148	1.0
191.10789	1.9
197.11787	6.1
207.10255	52.2
208.10579	3.0
209.11819	100.0
210.12251	6.5
225.11340	26.9
226.11526	1.7
227.12881	15.0
235.08229	3.7
247.13406	1.7
253.09338	10.5
289.07251	1.7
299.15283	1.4
340.62100	1.0
399.21878	4.6
417.23032	3.9
443.19150	2.3
461.20474	8.4
551.24988	1.5
609.28906	1.3
635.30957	12.9
636.31384	2.2
653.31720	14.7
654.31921	2.6
671.33020	23.0
672.33533	4.7
703.29553	8.9
709.52716	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.5
59.01275	1.1
60.71735	0.5
60.81028	0.4
65.00198	1.0
67.01769	2.3
68.89358	0.4
68.99699	0.7
69.03336	1.8
70.50314	1.8
71.01283	5.9
72.99181	1.2
73.02826	0.5
77.01031	0.4
79.01785	1.7
81.03360	0.5
83.01289	2.0
85.02848	2.0
85.71285	0.5
87.00759	1.1
89.02299	0.6
95.01287	3.2
95.04897	0.6
96.54179	0.5
96.95899	1.2
96.99185	0.7
97.02846	1.7
99.00771	0.7
99.92236	0.4
101.02361	2.2
107.01295	16.1
108.00057	0.5
108.01622	1.5
109.02876	1.4
109.99973	0.8
111.00791	4.4
113.02371	1.7
113.72819	0.5
121.01973	0.6
121.02855	1.3
123.00803	18.0
123.04420	1.4
124.01708	2.9
125.02372	93.2
126.02707	6.4
127.00297	1.8
135.04436	0.5
136.98746	3.3
137.02361	2.7
139.00319	6.4
139.03920	2.3
139.97983	0.7
140.01102	6.5
141.01881	1.9
145.02902	0.7
147.04456	0.7
149.02411	0.7
151.00307	7.8
151.03938	1.7
151.11827	0.6
153.01860	0.7
154.99815	0.7
159.04456	0.5
161.02364	1.8
162.03049	0.7
163.00247	0.6
163.03934	1.2
164.01073	1.3
165.01886	1.5
166.02675	1.1
166.99821	1.9
167.03564	1.0
168.00601	10.7
169.01381	98.5
170.01735	8.4
171.01941	0.7
173.02406	0.5
175.03912	3.9
177.01903	0.9
177.05536	1.1
179.03429	1.1
180.04260	1.5
181.01337	0.6
183.02953	5.9
188.04805	0.6
189.01961	0.5
189.05518	0.9
190.06306	3.0
191.03496	0.6
191.07124	2.2
193.01353	0.8
193.05087	1.3
194.05811	0.9
203.03479	0.9
203.06982	0.8
205.04982	0.5
205.08739	2.2
207.02946	0.8
208.07419	1.1
211.02484	2.7
223.02516	0.8
241.03586	2.3
245.08257	0.7
247.02502	0.6
253.03590	0.7
271.06525	0.5
275.02075	0.7
287.05756	0.7
289.07230	1.8
296.05402	0.8
297.06235	3.2
299.98807	0.5
300.99960	4.3
313.05716	17.0
314.06155	2.0
327.07318	2.4
345.13632	3.3
346.14200	0.6
359.15140	2.1
380.10074	1.1
381.10382	1.3
390.16559	0.5
398.10916	0.7
399.11197	0.9
407.08029	0.6
509.78687	0.6
532.11108	1.3
533.11230	3.3
550.12268	2.6
551.12585	7.4
552.12561	1.5
703.13489	12.5
703.23065	100.0
704.13977	1.7
704.23364	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	702.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49890	0.4
59.01259	0.6
65.00216	1.0
67.01774	2.4
68.99702	0.5
69.03355	2.3
69.73437	2.7
71.01267	3.2
72.99210	0.9
73.02828	0.4
73.05381	0.3
73.44061	0.5
75.61958	0.4
79.01793	2.0
81.03345	1.1
83.01285	1.5
85.02849	1.0
87.00767	1.7
91.12371	0.4
93.03375	0.6
95.01289	8.7
96.17806	0.4
96.95942	0.6
97.02850	3.0
98.19827	0.8
99.00786	0.6
101.02369	1.0
107.01304	15.8
109.02856	0.8
109.99940	0.5
111.00802	3.8
113.02359	1.6
117.03391	0.4
121.02869	0.7
123.00806	25.0
124.01658	3.3
125.02372	98.5
126.02719	3.1
127.00300	1.5
133.06451	0.4
135.04462	0.8
136.98778	2.2
137.02394	1.2
139.00319	7.8
140.01100	6.2
141.01907	2.5
143.03406	0.8
145.02887	1.2
147.04427	0.8
149.02376	0.7
151.00311	5.3
151.03879	0.8
153.01862	1.4
154.99831	0.6
161.02400	1.4
163.03966	1.2
165.01834	0.7
165.05545	0.6
166.99808	6.9
167.03412	0.8
168.00618	10.5
169.01385	100.0
170.01727	4.4
174.52042	0.4
175.03938	1.4
177.01900	1.1
177.05521	1.0
179.03494	1.3
187.04041	0.6
189.01897	0.5
191.03462	1.2
193.01399	1.4
193.05101	0.6
201.34918	0.4
203.03510	0.5
205.01447	0.8
205.05092	0.9
207.03004	0.9
209.04543	0.5
211.02492	3.8
219.02930	0.6
221.04581	0.9
223.02525	1.1
233.04581	0.6
235.02448	0.7
237.04007	0.9
241.03522	0.8
249.04010	1.7
253.03534	0.9
277.03397	0.7
279.05307	0.7
289.07257	0.7
295.04678	4.4
297.06033	0.8
300.99991	1.5
313.05734	9.0
314.06107	1.1
353.08826	1.1
362.08850	2.0
364.10483	2.0
371.09955	0.7
380.09976	8.9
381.10226	1.2
398.11011	8.4
399.11282	1.0
465.06805	3.7
523.11157	0.5
532.11115	17.9
533.11584	2.3
550.12152	29.6
551.12354	3.4
702.13251	87.7
703.13428	15.2
703.24744	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99420	0.1
57.03321	0.1
58.00463	0.1
59.01265	7.1
61.98718	0.4
68.50856	0.1
69.03336	0.3
70.15858	0.2
70.16264	0.2
71.01259	1.2
72.99225	0.1
73.02833	0.3
77.28403	0.1
83.01295	0.2
83.04915	0.3
85.02848	0.4
87.00771	0.3
89.02335	1.0
91.78814	0.1
95.01176	0.1
101.02348	1.1
112.69351	0.1
113.02341	0.7
119.03424	0.3
125.02428	0.1
129.86607	0.1
143.03465	0.1
143.12573	0.1
145.05057	0.2
151.11320	0.1
155.10774	0.3
161.04503	0.8
165.12778	0.3
167.10750	0.2
167.14310	0.7
175.11249	0.1
179.05603	0.3
183.13875	6.4
184.14198	0.3
193.12305	1.5
209.64671	0.1
211.13385	100.0
212.13719	5.1
235.08247	1.3
253.09317	3.2
254.09521	0.2
271.15588	0.3
387.25381	0.3
405.26468	0.3
429.21405	1.1
430.21848	0.1
447.22446	8.4
448.22983	0.6
510.96704	0.1
597.32355	0.2
623.34515	1.5
639.38239	0.1
641.35016	0.8
642.36066	0.2
708.17841	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
68.53016	0.3
79.11160	0.3
80.61203	0.2
91.60150	0.3
99.31716	0.3
107.75652	0.3
121.49136	0.3
147.27258	0.3
152.99458	0.3
186.45111	0.3
192.13277	0.3
224.68889	0.3
229.23944	0.4
384.75308	0.3
389.37048	0.3
437.12723	0.6
438.13446	4.2
439.13843	0.7
451.13992	0.9
452.14859	1.9
453.15494	0.9
467.13519	0.7
468.15030	0.3
480.14368	0.9
481.15302	31.9
482.15594	7.3
488.13684	0.4
495.16898	11.7
496.17325	3.0
497.18451	5.0
498.18643	1.2
514.14996	2.3
515.15424	0.4
521.14844	0.3
523.16254	1.0
525.14642	1.1
526.14691	0.5
528.16937	0.3
539.15796	1.6
540.16547	7.8
541.16785	1.7
553.17212	0.5
554.18396	2.7
555.18994	49.7
556.19196	9.4
567.18805	0.7
572.15643	14.3
573.15759	3.2
586.17224	5.4
587.17773	1.5
609.19708	1.3
610.19934	0.3
627.21436	1.3
635.69769	0.3
641.22699	25.9
642.22974	6.3
701.24829	65.2
702.25055	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	700.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73352	0.4
59.01273	0.7
65.00245	0.5
67.01784	1.5
69.03349	1.8
69.37170	3.5
71.01276	1.8
71.76541	0.4
72.99224	0.6
75.00782	0.9
79.01784	0.8
81.03368	0.7
82.02899	2.1
82.15028	0.4
83.01284	1.1
85.02841	1.0
87.00772	1.0
94.20160	0.4
95.01289	4.7
97.02863	1.8
99.00772	0.6
101.02353	0.7
107.01297	9.7
109.02839	0.5
111.00799	3.6
113.02357	0.8
123.00804	15.2
123.04430	0.5
124.01615	3.3
125.02370	58.9
126.02718	1.8
127.00281	1.3
130.18907	0.4
133.02859	0.5
135.04442	0.4
136.98753	2.2
137.02386	1.6
138.03146	1.1
139.00288	5.5
140.01112	6.0
140.62746	0.4
141.01851	2.0
143.03497	0.5
145.02838	0.5
147.04417	0.4
149.02405	1.2
151.00333	4.2
151.03967	0.7
153.01894	1.0
161.02400	0.6
163.00310	0.5
163.03963	1.4
164.01233	0.4
165.01898	1.1
166.99817	4.3
167.03450	0.6
168.00578	8.3
169.01379	65.2
170.01711	2.0
177.01866	0.8
177.04062	0.8
177.05521	0.5
179.03421	0.9
181.01378	1.1
184.28543	0.4
189.02005	0.7
190.05023	2.0
191.03477	0.6
193.01404	2.0
203.03502	0.7
205.01508	0.4
205.05121	0.5
207.02969	1.2
207.19092	0.5
210.01572	0.6
211.02458	4.7
221.04433	0.5
223.02441	0.8
234.03975	1.1
235.02403	0.8
237.04025	1.1
241.03520	0.5
253.03699	0.7
265.91592	0.4
267.05215	0.5
270.03958	0.8
271.04639	0.7
276.05203	0.9
283.58704	0.4
295.04617	1.7
297.06271	1.1
300.99893	0.7
311.04065	1.1
313.05710	4.5
314.06009	0.6
329.05383	1.0
331.32852	0.4
342.08447	0.5
378.08444	2.6
382.12106	0.4
396.09406	4.5
463.05328	0.5
465.06519	0.8
465.24664	0.4
530.09741	1.2
532.11182	0.4
548.10663	5.3
549.10968	0.9
617.07983	0.7
633.07538	2.0
700.11670	100.0
701.12006	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	699.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	2.3
71.01283	1.9
71.56693	0.4
71.57110	0.4
71.70942	0.3
72.99197	0.4
73.02819	0.4
78.95770	0.4
80.01173	0.3
80.02576	0.4
81.03343	0.6
83.01273	0.4
83.04913	2.3
84.02061	0.6
85.02841	1.0
87.00789	0.7
89.02331	1.6
95.04903	0.5
101.02344	2.3
113.02374	1.1
114.36971	0.3
119.03429	0.6
119.67683	0.3
125.02412	0.4
125.06021	0.6
133.05037	0.3
135.08041	0.5
145.05025	0.8
152.99561	0.3
154.31218	0.3
161.04538	1.4
163.11243	1.8
165.12828	1.4
191.10738	0.5
209.11824	57.2
210.12164	3.7
225.11385	0.5
227.12883	7.3
228.13245	0.4
235.06085	0.5
235.08273	6.9
236.08482	0.4
253.09373	6.1
253.21770	100.0
254.22107	8.7
255.23247	0.8
489.30847	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11964	0.6
57.28979	0.7
65.00211	0.7
67.01785	2.0
69.03355	2.1
70.07719	2.4
70.08131	1.0
71.01278	2.0
72.99205	0.7
79.01785	1.4
81.03389	0.8
82.02881	2.5
83.01283	1.4
85.02859	0.9
87.00776	1.1
95.01294	6.0
97.02870	2.6
99.00796	0.7
100.39693	0.7
107.01304	12.8
111.00803	3.8
113.02375	1.3
113.35270	0.8
119.04932	1.2
123.00807	21.0
124.01608	3.8
125.02373	85.1
126.02724	2.7
127.00260	0.9
133.02852	0.8
136.98734	1.8
138.03177	0.9
139.00316	5.0
140.01100	5.2
141.01883	2.5
147.04422	1.2
149.02409	0.7
151.00298	4.3
153.01859	0.7
161.02357	1.0
163.03973	2.0
166.99797	6.2
168.00607	12.4
169.01387	100.0
170.01746	2.9
181.01402	1.2
189.01910	1.1
190.05080	2.7
191.03531	0.9
207.03047	1.4
210.01758	0.8
211.02412	3.3
221.04494	0.7
222.13080	0.8
223.02611	0.9
234.04108	3.1
235.02367	0.7
237.04092	1.5
249.04128	1.5
270.03918	1.5
271.04739	1.0
295.04657	3.0
311.04327	1.0
312.05112	0.9
313.05832	3.3
329.05399	0.9
362.08954	1.5
378.08383	5.4
396.09451	7.0
464.05820	1.5
485.17276	0.7
498.79910	0.7
530.09467	14.1
531.09924	2.7
548.10645	24.0
548.19226	1.2
549.10846	4.4
633.08057	0.7
700.11725	63.0
701.11945	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	699.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95103	2.1
55.01752	2.4
57.03342	4.9
59.01265	40.5
61.98719	25.2
71.01266	23.6
73.02846	3.4
78.95802	4.9
83.01263	2.8
83.04930	5.2
85.02858	7.0
87.00771	6.9
88.98676	2.7
89.02335	10.2
93.06998	2.1
95.01264	3.0
96.95939	7.3
97.06487	2.6
100.28323	2.1
101.02343	14.8
109.06589	2.8
111.08073	6.7
113.02363	8.4
119.03507	2.7
121.02870	3.3
123.08042	4.2
124.01649	2.2
124.86942	2.5
125.02365	7.5
125.09647	11.6
127.11224	2.4
145.04964	2.9
161.04483	3.3
169.01390	2.7
171.10240	52.4
205.16013	3.4
209.11751	16.3
211.13414	12.1
215.14455	6.9
221.15393	2.5
231.13966	5.8
233.15472	24.7
235.08109	5.5
249.15039	20.4
253.09399	5.0
331.26682	3.0
341.25000	3.7
360.50232	2.2
385.23978	19.0
403.25024	33.1
404.25635	4.1
407.19406	3.2
421.25937	6.7
447.11417	2.3
485.24170	4.0
539.89453	2.4
566.14087	2.5
611.34851	2.6
621.32935	100.0
622.33276	17.5
639.34076	82.0
640.34259	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	699.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.8
58.30944	0.5
58.79200	0.5
59.01270	3.8
61.98719	9.4
65.00208	0.8
67.01792	0.6
69.03351	1.2
71.01273	3.4
71.61578	1.1
72.99184	1.3
78.95762	0.6
79.01772	0.7
83.01271	1.0
85.02841	1.4
89.02343	1.0
89.03819	0.7
95.01289	2.5
96.95902	2.7
97.02845	1.5
101.02333	1.6
107.01292	3.0
109.02811	1.0
111.00787	3.0
117.03365	1.8
121.02865	0.8
123.00798	9.6
123.04449	0.8
124.01556	1.5
125.02372	22.7
126.02709	1.2
127.00321	1.0
132.02113	4.5
133.02859	4.3
134.03676	21.1
135.04552	2.8
136.98726	1.1
137.02400	1.5
139.00294	4.6
139.03940	1.1
140.01068	3.9
141.01825	2.0
145.02864	1.1
149.02388	0.6
149.05997	2.0
151.00330	5.4
151.03914	1.1
153.01860	0.8
157.02533	0.6
160.01617	21.2
161.02405	20.1
162.02692	0.7
163.03964	1.3
164.01074	0.7
165.05441	0.7
166.99814	0.9
168.00604	4.5
168.99947	1.4
169.01381	22.8
170.01721	0.8
171.10208	0.7
175.02495	1.2
175.03978	16.6
176.04440	0.9
179.03430	1.3
183.02888	0.8
193.01437	0.9
193.05014	8.4
207.02922	0.6
209.11858	1.9
209.15596	0.8
211.02406	1.7
237.04222	0.7
271.04623	0.8
289.07019	1.2
295.04971	1.1
301.00034	1.0
313.05597	0.8
329.03287	1.3
407.72119	0.6
505.20953	9.5
506.21356	1.3
523.22162	3.7
537.23645	0.8
637.21295	1.2
699.26685	100.0
700.26984	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	698.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.3
62.86560	0.2
65.74692	0.2
67.01786	0.4
69.26287	0.3
69.26623	2.7
71.01275	0.3
78.89156	0.2
82.02874	0.4
85.02885	0.3
95.01289	1.6
97.02843	0.6
99.00822	0.2
101.03806	0.2
107.01294	3.4
109.02883	0.3
111.00800	0.5
117.03393	0.4
117.59676	0.2
119.04958	0.7
123.00803	3.9
123.04459	0.3
124.01570	0.7
125.02371	11.6
126.02730	0.5
127.17176	0.2
129.03413	0.4
130.04118	0.2
131.04947	0.8
133.02911	0.9
135.04425	0.2
137.02382	0.4
139.00291	0.4
140.01073	0.4
141.01851	0.2
145.02895	1.5
147.04465	2.5
149.02394	0.5
151.00279	0.7
151.03967	0.4
157.02902	1.5
158.03551	0.4
159.04498	2.3
161.02350	1.2
163.00334	0.3
163.04001	1.3
164.01073	0.5
166.99770	0.3
168.00592	0.5
169.01381	9.2
170.01726	0.5
173.02403	2.1
174.03215	0.6
175.03949	3.9
177.01930	1.4
178.02475	0.2
185.02397	3.1
186.03151	0.3
187.03969	1.2
188.04533	0.3
189.01956	1.3
189.03406	0.2
190.02635	1.5
190.04590	0.2
191.03458	1.9
201.01927	3.8
202.02574	0.8
203.03491	11.3
204.03822	0.6
205.01398	1.0
205.05130	0.4
213.01950	3.0
214.02667	1.1
216.00531	0.3
216.15588	0.2
217.01443	1.4
218.02275	0.9
219.03056	2.2
220.03322	0.3
221.04617	0.5
222.01590	0.3
228.00740	0.4
229.01454	10.8
230.02080	1.2
231.02991	8.4
232.03372	0.6
245.00937	2.5
246.01546	0.6
247.02452	2.3
248.03183	0.3
249.04097	15.9
250.04434	0.9
257.00974	9.9
258.01721	6.1
259.02350	0.4
273.00516	2.4
273.07629	0.3
274.01285	3.2
275.02039	100.0
276.02371	6.0
283.99765	1.0
293.03052	0.3
299.99121	1.9
300.99969	38.2
302.00320	3.0
319.01050	0.4
378.08322	0.5
396.09518	0.8
412.49225	0.3
426.09476	0.4
476.04236	0.3
484.08978	0.9
502.09857	1.2
528.07703	1.2
546.08856	0.7
654.10931	1.7
698.10120	16.9
699.10565	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	695.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54232	35.3
51.19175	32.4
53.30804	27.7
83.39391	32.3
85.97036	29.6
95.96693	34.5
98.20536	100.0
148.67435	32.1
152.96326	30.6
152.99510	32.6
158.05029	33.7
175.50208	35.7
418.31580	34.8
475.81284	34.7
489.42819	35.5
490.58011	35.9
537.47559	33.4
610.58179	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	697.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32872	0.1
58.11184	0.1
59.01265	100.0
60.01602	1.2
61.98723	1.4
67.20943	0.1
70.83667	0.4
71.01292	0.2
87.68793	0.1
96.95879	0.2
119.04922	0.5
120.06924	0.1
121.02888	2.2
121.06477	0.1
121.86677	0.1
125.02422	0.2
163.03996	0.3
165.01883	0.2
169.01396	0.1
171.10262	0.5
191.03542	0.7
196.93541	0.2
209.04549	1.4
240.60771	0.2
289.07022	0.2
289.18127	0.2
295.43030	0.2
307.19189	0.2
311.23401	0.1
481.15381	0.2
521.00464	0.2
575.12390	0.2
593.13348	0.9
697.39063	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14638	0.3
59.01266	100.0
60.01598	0.8
61.98719	0.6
70.82928	0.9
78.95795	8.5
110.34615	0.4
119.87998	0.3
162.59663	0.3
205.15981	1.0
285.12778	0.4
378.67978	0.3
655.21332	0.3
695.31293	37.2
696.31671	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	694.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
69.82924	4.2
69.83331	8.7
70.87581	1.9
78.36301	2.1
78.82264	1.7
82.02870	2.9
82.20973	2.1
95.01269	3.6
96.39532	1.8
97.02856	2.2
101.28309	1.7
105.08077	2.1
109.02844	4.0
111.00824	2.9
120.81007	2.1
123.00787	6.4
125.02352	8.1
137.02345	11.6
139.00243	2.4
143.10609	1.7
145.02870	2.9
159.04510	2.5
161.02368	3.1
163.00311	19.7
165.01845	9.8
166.99794	3.7
169.01382	5.4
173.02382	4.2
175.04013	3.9
177.01888	2.8
178.99762	4.5
181.01381	2.6
185.02361	4.1
189.01862	3.2
190.02573	3.5
190.99792	6.2
191.03384	2.2
193.01357	8.8
201.01839	6.8
203.03488	6.5
206.99358	11.8
208.00114	2.9
209.00864	11.1
217.01404	3.2
219.03029	2.5
229.01460	11.9
230.04596	2.8
237.00290	3.0
245.00911	6.3
247.02434	3.6
250.01265	2.2
257.00970	11.9
271.19193	1.9
273.00464	6.6
274.01138	4.2
274.03778	2.4
275.02039	36.5
299.99268	3.9
300.99948	100.0
302.00253	8.3
316.04895	2.2
403.62424	2.0
436.08899	14.6
437.08923	2.6
464.08435	23.0
465.08832	3.1
475.47159	2.0
493.61197	2.1
511.00116	2.4
515.68958	2.5
518.09888	3.8
546.09003	70.5
547.09149	10.3
578.33209	2.2
616.09814	2.4
694.12506	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	693.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80221	1.2
59.01265	4.0
61.98708	4.8
70.45499	4.9
71.01263	3.0
79.80063	1.3
83.61048	1.2
83.96220	1.1
89.02357	2.0
101.02368	2.0
103.18955	1.2
169.76424	1.1
171.10190	5.0
183.13847	3.3
209.11819	62.7
210.12167	5.7
211.13393	100.0
212.13765	6.6
227.12894	19.5
235.08243	4.7
253.09370	6.7
284.53888	1.3
429.21640	1.6
445.20676	4.2
447.22528	18.8
639.33875	3.9
693.32715	36.2
694.33197	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	693.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.4
57.03330	0.5
58.76643	0.2
59.01270	1.1
60.99183	0.2
61.98715	3.3
62.31339	0.2
65.00247	0.4
67.01776	1.0
68.99728	0.4
69.03339	0.8
71.01271	5.3
72.99201	0.7
79.01801	0.9
81.03359	0.6
83.01276	1.2
85.02843	1.3
87.00784	0.5
87.27115	0.2
93.03368	0.6
95.01280	2.6
96.95905	0.2
96.99226	0.3
97.02827	1.3
99.00787	0.4
101.02352	1.9
107.01294	6.9
109.02876	0.8
110.00004	0.3
111.00796	2.2
113.02354	1.9
121.01974	0.3
121.02872	8.5
123.00800	12.3
123.04459	0.4
124.01640	1.1
125.02368	48.9
126.02715	1.3
127.00294	0.9
130.54059	0.2
135.04443	0.7
136.98744	0.8
137.02383	1.3
138.03157	0.5
139.00308	3.9
139.03941	0.3
140.01086	3.5
141.01895	1.4
145.02882	0.5
148.76004	0.2
149.02390	0.9
151.00308	7.8
151.03911	1.2
153.01900	0.9
161.02414	0.6
163.03938	0.6
164.01129	0.6
165.01877	1.1
166.02646	0.4
166.99825	1.5
167.03487	1.0
168.00595	5.1
169.01381	65.8
170.01733	2.4
172.05238	0.5
173.02313	0.3
175.03984	0.2
177.01845	0.5
179.03455	1.2
181.01390	0.4
188.80087	0.2
189.01808	0.3
191.03487	0.7
193.01379	3.8
193.05020	0.3
195.03027	0.4
197.50301	0.3
205.01382	0.3
205.05038	0.3
207.02998	0.4
209.11841	0.4
211.02467	4.8
211.13469	0.4
212.02840	0.3
223.02505	1.4
235.02530	0.9
241.03627	1.0
245.08284	0.3
248.38687	0.2
253.03546	1.2
271.04544	0.5
289.07278	0.6
295.04666	2.2
296.05258	0.3
297.06223	3.3
299.04846	0.3
300.99808	0.3
313.05716	25.5
314.05960	1.8
337.78662	0.2
445.12982	0.2
465.06824	100.0
466.07159	11.1
627.34399	0.7
637.33545	0.4
657.35040	29.9
658.35638	2.7
693.14752	11.4
693.38214	0.5
694.15118	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	691.408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.4
59.01265	100.0
60.01614	0.7
69.06159	0.2
70.18977	0.5
70.19372	0.5
73.47372	0.2
73.58508	0.2
78.95798	2.1
83.04948	0.7
93.03300	0.3
107.04897	0.2
109.02856	2.2
109.06453	0.3
111.04438	1.0
111.72355	0.2
121.06512	0.4
137.06062	0.2
139.07550	0.4
149.06035	1.1
152.99544	1.8
156.95987	0.2
161.06078	0.6
163.07637	0.5
167.07089	1.3
172.05292	0.5
173.06010	0.3
175.07581	1.7
179.07050	0.9
182.01642	0.2
183.04491	0.3
185.06140	0.4
185.09676	0.6
199.13338	0.3
202.06282	0.7
203.10768	0.7
209.09998	0.4
209.11662	1.4
211.11365	0.2
214.06352	0.3
215.10594	0.3
218.09567	0.3
221.09758	0.5
223.11293	0.2
224.08476	0.3
225.22260	0.2
227.20175	81.4
228.20509	5.7
229.08737	0.4
231.10306	1.2
233.09618	0.2
233.11833	4.3
234.12228	0.4
235.07634	0.3
237.09280	0.4
239.10786	0.8
241.12410	0.6
249.09378	0.4
249.12747	0.4
250.09900	0.3
251.10924	0.3
252.11574	0.3
253.12325	0.2
253.21793	0.3
255.10291	0.3
255.23299	0.3
260.90704	0.3
261.12939	0.3
262.10114	0.4
263.10809	0.7
263.14478	0.3
264.11615	0.8
265.12421	0.7
266.09625	0.7
266.12460	0.3
267.13931	0.4
269.15579	0.3
277.12399	4.3
278.12833	0.7
279.14005	0.8
279.23172	0.4
289.12460	0.9
291.10168	0.3
292.11136	1.3
293.11841	0.3
295.10516	0.1
295.13443	6.7
296.13770	0.7
307.13461	9.7
308.13727	1.1
310.11948	0.3
313.14590	1.3
325.14490	5.7
326.14789	0.8
337.14554	0.6
343.15564	2.6
344.15924	0.5
355.15460	0.9
363.11835	0.2
367.15536	0.8
385.16629	11.0
386.16980	1.3
403.17676	3.5
404.17630	0.4
421.18808	0.4
455.17053	1.8
523.34375	0.9
532.62390	0.3
553.35504	0.3
613.38312	0.3
631.38544	2.0
632.38904	0.7
655.42731	0.4
691.37793	1.3
692.38843	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	1.4
64.12863	0.6
70.74874	1.5
78.95796	39.7
80.02571	1.9
80.04728	0.4
81.03362	1.8
83.04918	7.1
83.75155	0.5
84.02068	1.6
95.04920	0.8
96.96866	3.5
109.06460	0.5
132.53519	0.5
135.08069	1.1
150.97954	1.2
152.99532	59.9
153.99887	1.1
163.11246	6.6
165.12827	4.4
171.00621	5.9
181.12299	1.3
191.10773	1.8
196.67436	0.4
199.13382	1.0
209.11830	100.0
210.12177	5.1
227.03247	3.9
227.12901	8.3
228.13197	0.6
245.04346	1.7
253.21786	20.2
254.22076	2.0
255.23253	0.7
277.21774	2.3
297.39871	0.5
363.12222	7.7
364.12451	0.6
381.13211	0.6
389.33557	0.5
413.21088	1.1
437.15833	5.4
455.16980	82.8
456.17300	8.0
691.38422	79.8
692.38782	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.6
59.01263	2.5
61.98719	4.3
69.03338	0.4
70.06246	0.2
71.01276	3.1
71.52345	0.4
72.99201	0.4
73.02849	0.7
78.95799	0.5
80.02570	1.1
81.03345	0.9
83.01265	0.6
83.04919	3.9
84.02074	0.4
85.02856	0.9
87.00785	0.9
89.02338	1.6
93.03343	0.5
95.01318	0.4
95.04942	0.6
96.95897	0.4
97.02834	0.4
99.00769	0.2
101.02349	1.9
107.01297	0.8
109.02872	0.9
111.00791	0.3
113.02363	1.6
117.03432	0.4
119.03439	0.9
119.04957	0.4
123.00780	1.2
123.04420	0.7
125.02372	7.2
125.06016	0.4
125.09653	0.9
126.02725	0.4
127.11187	0.9
134.03668	0.4
135.04440	0.3
135.08066	0.6
137.02339	1.2
138.05557	0.2
139.00311	0.7
140.01059	0.4
143.03447	0.2
145.02895	1.6
145.04878	0.3
149.02383	0.3
151.00281	0.7
151.03941	1.0
155.10715	0.5
159.04495	0.2
160.01601	0.8
161.02342	0.9
161.04520	1.1
162.80734	0.2
163.00354	0.2
163.03931	0.6
163.11246	3.6
164.11514	0.4
165.01895	0.6
165.09253	0.5
165.12805	2.1
168.00569	0.6
169.01390	6.8
170.01765	0.4
171.10255	1.2
172.10641	0.2
175.02644	0.2
175.03937	1.1
177.01845	0.4
179.03520	0.3
179.05568	0.6
181.12308	0.6
182.62166	0.2
185.05923	0.3
191.03519	0.3
191.10759	0.9
193.01251	0.3
193.05034	0.3
199.09721	0.4
199.13316	0.2
201.11308	22.5
202.11646	1.3
203.03635	0.2
203.07123	0.3
209.11824	100.0
210.12158	7.4
211.02438	0.7
225.11346	0.5
227.12903	14.8
228.13326	0.9
235.08261	2.9
245.08267	0.3
247.13744	0.3
253.09315	7.7
254.09659	0.4
256.78714	0.2
257.17783	0.3
271.06436	0.5
275.01999	0.3
277.21805	0.4
289.07266	2.1
299.01962	0.4
300.99963	2.0
302.00290	0.4
313.05676	0.7
319.08328	0.7
329.06601	0.3
375.21799	0.5
393.22943	0.3
419.11484	0.4
419.23291	2.0
420.23502	0.4
437.20313	0.7
445.20956	2.9
446.21317	0.5
463.21741	0.4
465.06516	0.5
483.07816	0.6
526.04694	0.3
602.56976	0.3
611.30786	0.4
628.16760	2.3
629.17157	0.8
631.41083	0.4
637.32300	0.5
655.33179	0.6
669.91840	0.2
673.33539	0.4
691.21106	2.4
691.33856	0.6
692.21375	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03860	3.5
59.01271	19.2
61.98716	43.6
66.68291	3.8
71.01259	7.4
77.21748	4.1
78.95793	21.0
89.02383	4.9
94.36046	3.5
96.95899	4.9
101.02370	4.6
111.90543	3.8
152.99574	9.1
207.10242	9.8
209.11819	100.0
210.12193	4.4
211.13420	27.0
225.11354	5.1
227.12920	16.7
253.09187	9.8
277.21573	8.4
385.57333	4.2
401.23224	4.6
445.20981	6.2
459.92966	4.8
477.29449	4.4
637.32178	10.1
655.33209	13.6
656.33606	6.0
691.31323	24.4
692.31342	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.9
59.01270	9.3
61.98723	24.7
67.16088	0.7
71.01276	20.4
72.99196	0.8
73.02830	1.6
78.95805	2.3
80.02550	1.2
81.03365	2.0
83.01263	1.8
83.04905	3.3
85.02850	2.3
87.00762	1.7
88.98734	1.2
89.02343	4.4
95.01286	1.8
95.04919	2.0
96.62289	0.9
96.96881	0.8
97.02833	1.0
97.06505	5.8
101.02344	5.6
104.93176	1.0
109.06484	1.6
109.18118	0.8
113.02377	2.7
119.03439	1.2
125.02332	3.1
125.09682	1.2
137.02385	1.2
151.00340	1.0
151.11234	13.4
152.99469	1.4
161.04478	2.3
163.11267	4.3
163.12344	0.8
165.12801	1.6
169.01360	3.7
169.12306	70.6
170.12608	3.6
171.10234	11.0
183.13852	1.3
185.11771	1.1
185.49858	0.8
191.10803	1.1
195.10182	2.0
199.09695	1.1
201.11316	2.4
207.10249	4.2
209.11821	51.8
210.12201	4.8
211.13387	15.1
212.13683	1.2
213.11343	9.0
225.11305	1.5
227.12944	4.6
235.08183	3.1
253.09305	6.6
264.37784	0.9
275.85306	0.9
289.07254	1.0
293.21423	1.0
301.00012	1.0
312.99945	1.8
328.02283	1.1
335.70532	0.9
343.04718	3.1
353.30798	0.9
397.14252	1.2
401.22839	1.0
431.19211	1.7
449.20490	4.8
613.39905	1.2
637.32611	4.5
638.33398	1.4
655.32910	2.9
659.33020	100.0
660.33453	18.2
691.35516	12.6
692.35797	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21048	0.4
55.01774	0.6
57.03331	0.5
58.00478	1.2
59.01266	16.7
60.01581	0.4
61.98717	14.7
62.57008	0.4
65.51869	0.3
69.03341	0.9
69.84750	2.1
71.01270	29.2
71.04905	0.4
72.99195	1.5
73.02844	2.3
75.00777	0.5
78.95808	1.0
80.76321	0.4
81.03334	0.5
83.01275	1.6
83.04889	0.6
85.02845	3.5
86.56886	0.3
87.00763	3.1
89.02338	11.4
90.02674	0.4
91.03895	0.5
95.01286	0.7
96.95929	0.7
97.02853	2.5
99.00778	1.0
101.02348	11.6
109.02901	0.5
109.06495	0.8
111.08097	0.5
113.02353	5.5
113.09621	0.4
119.03394	2.9
121.02898	0.7
125.02375	4.5
125.09663	0.5
127.11174	0.4
131.03464	0.6
137.02362	0.4
138.59268	0.4
143.03458	1.9
161.04492	2.8
163.11223	0.7
169.01352	0.6
171.10219	11.6
172.10527	0.7
179.05605	2.6
179.14331	0.4
181.08768	0.4
181.12274	0.4
183.13847	2.0
185.11890	0.5
193.12473	0.5
195.12260	0.3
195.13873	7.0
196.14468	0.8
197.11855	0.6
199.09665	2.0
199.13373	1.1
201.11313	2.5
205.12283	0.6
207.10231	2.7
209.11856	3.5
210.12111	0.5
211.13390	19.0
212.13715	1.3
221.06602	1.3
223.13414	5.4
225.11351	1.4
225.14896	0.5
227.12904	1.2
228.13611	0.6
229.14359	0.4
235.08199	4.0
253.09276	3.4
256.13165	0.9
263.07706	0.6
265.21713	0.4
271.06299	0.5
275.20227	3.6
287.07831	1.0
289.07233	0.6
293.21295	100.0
294.18307	0.5
294.21603	9.6
305.08618	0.7
323.09903	0.8
357.26556	0.6
397.13596	23.1
398.14066	2.3
415.14642	26.0
416.15009	1.9
435.18710	0.7
447.22192	0.4
463.21463	0.4
469.33212	1.2
487.34332	0.7
629.32617	0.5
637.32068	0.5
654.27277	0.6
655.33636	0.7
673.34406	0.6
691.35699	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	691.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03346	0.6
59.01267	1.9
59.80011	0.5
61.98718	1.3
65.00208	0.9
67.01786	1.4
68.99716	0.7
69.03355	1.4
71.01263	2.9
71.59615	0.7
72.99212	1.2
73.02859	0.6
78.95837	0.4
79.01785	0.9
80.01076	0.4
81.03362	0.4
83.01299	1.4
85.02853	1.9
87.00780	1.2
88.98692	0.5
89.02340	1.0
93.03381	0.5
95.01300	3.7
95.04963	0.5
96.95920	1.8
97.02856	1.9
99.00774	0.8
101.02347	1.8
107.01303	8.9
109.02859	1.3
111.00797	4.0
113.02390	0.9
117.03428	0.7
119.04936	1.2
121.02905	0.6
123.00813	15.9
123.04436	1.3
124.01669	2.2
125.02377	53.4
126.02718	2.0
127.00294	1.1
134.03622	0.5
135.04399	0.5
136.98730	1.7
137.02351	2.1
139.00322	7.0
140.01105	6.0
141.01869	1.6
142.16510	0.4
145.02870	2.8
149.02397	0.8
151.00308	8.4
151.03923	1.8
152.00737	0.5
153.01884	1.5
161.02350	1.8
163.00294	0.8
163.03934	1.3
164.01126	0.6
165.01910	1.2
165.05568	0.8
166.99789	3.0
168.00595	8.3
169.01387	58.0
170.01703	3.1
171.10196	0.6
175.03935	1.0
177.01901	1.2
178.02484	0.5
179.03502	1.1
181.01369	0.9
185.00891	0.8
190.02661	0.6
191.03401	0.5
193.01431	0.6
193.05045	1.3
194.99263	0.5
195.06702	0.5
201.01962	0.4
205.01430	0.7
207.02985	0.5
209.04604	0.5
209.11795	2.1
210.12119	0.8
211.02519	2.6
225.14969	0.5
227.12892	0.7
229.01366	0.9
237.04086	1.2
243.02992	0.7
245.00920	0.6
245.08162	0.6
247.02455	0.6
253.03703	0.7
275.02182	1.2
277.21725	0.9
277.98972	0.5
289.07327	1.3
295.04803	1.1
297.06403	0.5
300.02744	0.5
301.00040	7.3
302.00348	1.0
313.05719	1.8
465.06964	3.1
483.07550	0.6
512.04272	0.7
521.20422	7.9
522.20721	1.2
523.22009	8.2
524.22632	0.8
539.21460	12.3
540.21814	2.1
593.05621	0.6
602.06500	1.1
602.56561	0.7
613.40210	0.6
691.22589	100.0
692.23114	19.7
692.33276	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.226
Annotation	curcumin diglucoside
Peak:m/z	Relative Intensity
54.29724	0.5
57.05699	0.5
59.01265	3.3
65.00224	1.1
67.01767	2.5
68.99715	0.9
69.03345	1.1
70.33627	1.5
70.33975	0.7
71.01273	3.8
72.99191	1.6
73.02826	0.6
74.17928	0.5
75.00759	0.5
79.01794	2.1
83.01279	1.7
85.02839	1.4
87.00749	1.2
89.02328	1.0
90.22253	0.4
95.01285	6.1
96.95915	0.8
96.99265	0.5
97.02856	1.7
98.19855	0.5
99.00777	0.9
101.02343	2.6
107.01296	5.9
108.02082	2.1
109.02866	1.1
110.00007	0.8
111.00794	9.1
113.02369	1.0
121.02887	1.1
122.03669	1.4
123.00803	30.4
123.04361	2.3
124.01546	2.2
125.02369	24.9
126.02711	1.1
127.00294	2.6
134.03687	0.7
135.04469	0.6
136.01649	0.5
136.98767	4.2
137.02393	2.6
139.00308	12.9
139.03926	1.1
140.01100	11.6
141.01883	3.5
146.03592	0.7
149.02377	3.4
150.03162	7.2
151.00305	8.9
151.03911	1.7
153.01898	1.2
154.99834	1.0
163.03946	1.1
163.11220	0.8
164.04721	0.7
165.01907	0.8
165.05528	4.2
166.06310	1.2
166.99831	11.4
167.03485	0.5
167.07042	1.3
168.00601	21.2
169.01382	35.2
170.01749	1.3
177.04048	4.0
177.05396	0.8
179.07108	0.9
180.04291	0.5
181.01218	0.6
181.08672	0.6
182.02274	0.6
183.03000	5.2
185.00874	0.8
186.87450	0.4
195.02927	0.4
195.06633	0.6
210.01785	0.5
211.02464	11.1
212.02826	0.5
221.02460	0.6
223.02515	0.5
225.04060	2.6
241.03590	1.5
268.21783	0.4
271.04663	4.3
285.06247	1.7
289.07190	1.1
297.06155	1.4
300.99866	1.6
311.03687	0.6
313.05740	2.3
329.05273	3.4
329.12283	2.4
343.13950	0.6
387.16638	1.3
409.47458	0.5
488.10300	0.5
491.19528	0.7
493.13562	2.5
494.14438	19.6
495.15042	6.5
496.15271	0.8
509.16983	2.2
539.17358	2.4
549.16199	7.5
550.16748	1.1
567.17664	0.9
571.18298	0.5
643.20538	6.8
644.20502	0.8
655.20825	2.2
673.21509	17.7
674.21661	3.5
691.22589	100.0
692.22894	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	691.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70374	0.3
57.03311	0.7
59.01254	1.5
65.00211	0.8
67.01768	1.3
69.03316	1.1
70.44163	1.3
71.01273	2.6
79.01788	1.4
81.03340	0.8
83.01276	1.3
85.02825	1.3
87.00777	0.6
89.02289	0.5
91.38278	0.5
95.01276	2.4
96.95912	0.6
97.02846	1.4
97.18304	0.4
99.00804	0.5
101.02335	1.3
107.01303	7.6
109.02863	1.6
111.00805	3.0
113.02361	0.8
116.94153	0.4
119.04971	0.6
121.02782	0.7
121.09698	0.5
123.00796	12.8
123.04424	1.2
124.01659	2.5
125.02371	42.7
126.02713	1.4
127.00294	1.0
135.04448	0.4
136.17741	0.5
136.98735	1.3
137.02394	2.0
139.00301	4.7
139.74004	0.5
140.01094	5.2
141.01857	1.7
145.02927	0.8
149.02373	1.1
151.00307	5.5
151.03955	1.5
153.01852	1.3
159.04472	0.5
161.02371	1.1
163.04008	0.6
163.11278	0.5
165.01932	0.8
165.05463	0.5
166.99773	1.0
168.00577	7.2
169.01387	47.1
170.01741	2.7
172.93324	0.4
175.03944	1.2
177.01862	1.0
179.03484	1.0
181.01323	0.6
182.70012	0.5
191.03506	0.6
193.01396	0.6
193.05037	0.5
201.11401	0.5
209.11868	2.3
211.02449	2.4
215.04163	0.5
238.89893	0.5
275.02258	0.6
276.60510	0.5
289.07227	2.0
295.04660	0.9
301.00031	2.1
302.00397	0.4
307.05960	0.6
313.05713	1.5
369.12338	0.5
387.13150	0.7
404.63297	0.5
419.11743	0.7
467.19650	0.6
521.13049	0.8
521.20325	6.3
522.20801	1.0
539.14099	2.9
539.21387	15.7
540.14508	0.9
540.21838	2.8
541.36115	0.5
608.21405	0.6
616.67004	0.5
691.22638	100.0
692.23083	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	1.6
59.01273	1.8
63.02301	0.5
65.00211	0.8
67.01773	1.3
69.03339	1.8
71.01273	3.2
71.60071	0.6
72.99194	1.0
79.01797	1.2
81.03353	1.0
83.01269	1.1
85.02852	1.1
87.00775	1.1
88.57922	0.4
93.03358	0.8
95.01276	2.9
96.95922	0.6
97.02873	2.4
101.02344	1.0
106.80104	0.5
107.01292	8.1
108.01614	0.6
109.02850	1.1
110.00011	0.8
111.00796	4.0
113.02374	1.4
117.03342	0.5
119.04939	0.6
123.00806	16.5
123.04450	0.9
124.01620	2.9
125.02372	52.4
126.02722	2.1
127.00307	1.3
135.04482	1.0
136.86055	0.5
136.98750	2.0
137.02383	1.5
137.09651	0.7
139.00322	6.2
139.03925	0.7
140.01102	4.7
141.01894	2.5
145.02823	0.7
149.02400	0.7
151.00302	7.5
151.03958	1.2
153.01892	1.3
154.99870	0.6
161.02414	0.7
163.00354	0.9
163.03937	1.0
163.11150	0.6
164.01140	0.4
165.01884	0.7
165.05551	0.5
166.99823	2.1
167.03442	1.3
168.00606	7.7
169.01382	60.8
170.01715	2.5
175.03984	0.8
177.01912	0.9
179.03476	1.0
181.01357	0.6
187.04103	0.5
191.03470	0.5
191.05136	0.4
193.01427	1.0
193.05037	0.6
207.03082	0.7
211.02463	3.1
221.04539	0.6
223.02419	0.5
224.14154	0.6
225.15018	1.6
237.04039	1.6
242.39642	0.5
271.04587	0.9
273.07800	2.8
275.01764	0.5
289.07120	0.5
295.04648	2.0
297.06174	1.2
300.99915	1.5
310.04761	0.7
313.05704	5.3
332.09189	3.7
361.95309	0.5
382.13779	0.6
389.45898	0.5
417.09714	0.8
481.14978	1.4
493.15060	0.8
511.16183	3.6
512.16602	1.1
521.12982	0.7
521.20404	7.8
522.20575	1.9
539.21399	11.3
540.21747	1.9
604.16193	0.7
691.22546	100.0
692.11041	1.1
692.22968	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	691.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01275	0.8
65.00201	0.6
67.01779	2.9
68.99708	0.6
69.02990	0.5
69.03332	2.9
71.01269	3.3
71.43685	0.8
72.99207	0.7
73.02836	0.7
79.01787	1.5
81.03369	1.6
83.01270	1.1
85.02840	1.9
87.00771	1.2
95.01280	8.0
96.99254	0.7
97.02863	2.7
99.00794	1.2
101.02339	1.0
107.01301	11.8
109.02837	1.1
110.00005	1.2
111.00777	4.3
113.02408	1.0
121.79985	0.5
123.00808	25.1
124.01630	2.9
125.02374	83.0
126.02705	2.7
127.00270	1.3
135.04492	0.9
136.98755	1.6
137.02391	1.4
139.00305	7.8
140.01118	5.5
141.01897	3.2
147.04436	0.6
149.02382	0.9
150.03143	0.6
151.00337	8.4
151.03983	1.3
153.01939	1.6
159.04469	0.7
161.02330	0.8
163.03983	1.4
165.01799	0.8
166.99800	6.8
167.03409	0.9
168.00601	11.2
169.01389	100.0
170.01717	3.9
175.03966	1.1
177.01886	1.5
177.05505	0.8
179.03482	1.2
181.01367	1.2
189.01819	0.9
191.03566	1.0
193.01399	1.4
203.03488	1.3
205.01428	0.7
206.02220	0.6
207.03017	0.8
211.02507	3.4
223.02275	0.7
237.04092	0.9
279.05157	2.1
295.04715	3.0
297.06131	1.5
300.99957	1.5
313.05756	4.3
351.07272	1.3
353.08871	2.0
369.08328	16.1
370.08740	1.3
387.09442	13.7
388.09943	1.4
412.65521	0.6
521.01556	1.2
521.09442	24.7
522.10077	2.9
539.10516	38.5
540.10846	5.1
570.68799	0.7
632.25372	0.7
691.11639	78.6
692.11957	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02307	0.5
59.01263	0.9
64.26180	0.4
67.01783	2.0
68.99703	0.7
69.03337	1.8
71.01273	2.4
71.18260	0.6
72.30429	0.5
72.99206	0.7
73.02839	0.9
75.01827	0.5
75.66999	0.5
76.20835	0.5
78.61869	0.6
79.01788	1.0
81.03374	0.8
83.01301	0.8
85.02854	1.3
87.00776	0.6
89.78074	0.6
93.03368	0.6
95.01283	5.1
97.02863	2.5
101.02358	0.7
107.01296	14.1
109.99968	0.8
111.00780	3.1
121.02876	1.1
123.00809	21.5
124.01704	2.6
125.02370	76.6
126.02731	2.2
127.00287	1.4
136.98724	2.6
137.02386	0.9
139.00307	6.4
140.01096	5.6
141.01840	1.6
145.02893	0.8
147.04468	0.7
149.02386	1.5
151.00322	5.2
151.03951	1.0
153.01872	1.4
161.02412	1.0
163.03952	1.4
164.01117	0.6
165.05508	1.1
166.06282	0.8
166.99811	5.9
168.00603	9.9
169.01384	91.9
170.01730	3.0
172.90779	0.6
175.03952	1.5
177.01949	1.1
177.05573	0.5
179.03461	0.9
181.01396	0.7
181.05098	1.3
183.02994	0.8
193.05180	0.6
205.01608	0.7
207.02968	1.7
211.02562	0.9
237.04112	0.6
249.04156	2.0
279.05191	0.6
295.04761	1.6
301.00101	1.0
313.05750	5.9
329.14316	0.6
351.07239	1.2
353.08929	1.0
369.08301	9.2
370.08688	1.2
387.09439	13.7
388.09808	1.3
509.13370	1.3
521.09454	21.9
522.09729	3.0
539.01892	0.6
539.03864	0.4
539.10504	31.7
540.10968	4.0
691.11780	100.0
691.22803	17.3
692.12085	17.8
692.22931	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	689.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27956	0.8
57.03310	1.2
59.01264	5.5
61.98715	9.7
71.01270	5.5
71.58936	1.3
72.03316	0.8
73.02836	1.3
73.82899	0.7
78.95809	1.3
80.02583	1.3
81.03325	1.6
83.01254	1.1
83.04922	5.1
87.00776	1.8
89.02328	3.1
95.01270	1.0
95.04942	1.2
96.95895	2.9
97.02853	0.9
101.02334	3.0
109.02880	0.9
113.02353	2.4
125.02284	1.2
135.08105	0.9
137.02405	0.8
161.04507	1.4
163.11217	2.6
165.12784	1.4
167.14224	0.9
169.01419	1.9
171.10188	1.5
176.67113	1.1
181.12244	1.0
183.13866	6.3
191.10736	1.9
193.12299	1.4
209.11824	100.0
210.12178	8.2
211.13396	98.5
212.13742	7.1
227.12912	13.6
228.13208	1.3
235.08347	4.3
253.09354	8.1
307.77515	0.9
390.89716	0.8
424.70190	1.0
445.20834	4.0
447.22379	7.5
448.22632	1.8
639.33881	1.5
640.83698	0.9
693.47455	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28638	2.5
59.01270	17.9
61.98713	9.8
64.15239	2.7
71.01279	12.8
71.56929	3.6
71.57284	3.5
78.95790	17.3
85.02795	3.9
89.02342	15.5
96.96854	3.9
101.02369	14.7
113.02364	5.9
121.19746	2.7
125.02375	11.7
152.99516	10.5
171.10231	4.9
195.81219	2.9
197.86726	3.6
209.11809	9.6
211.13429	5.9
235.08276	8.9
255.23410	38.4
256.23688	5.6
271.39023	3.3
300.99881	4.2
305.08981	3.2
326.68750	3.2
397.13602	100.0
398.13898	6.3
415.14505	30.1
653.37738	15.9
689.35303	88.1
690.35474	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	689.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00209	0.4
55.01767	0.5
57.03337	0.6
58.00474	1.1
59.01264	5.9
61.98717	0.6
68.90881	0.2
68.99697	0.3
69.03358	0.6
71.01271	56.3
71.04914	0.6
72.01633	0.6
72.99206	0.7
73.02845	3.4
80.02545	1.3
81.03349	2.2
83.01284	1.1
83.04916	5.7
83.05376	0.5
84.02056	0.8
85.02849	2.7
87.00783	1.8
87.04446	0.3
88.98703	0.5
89.02339	3.1
93.03349	0.8
95.01276	0.6
95.04933	2.2
97.02850	2.1
97.06499	0.8
99.00790	1.1
101.02351	4.1
106.04156	0.4
109.06505	6.2
110.03612	0.4
111.00790	0.7
111.04462	0.5
113.02348	2.6
119.03451	0.7
121.06520	0.4
123.08061	0.4
125.02396	0.8
125.06041	0.6
125.09628	2.4
127.11236	2.0
135.08095	1.5
136.05244	0.5
137.02344	0.4
137.09654	0.4
139.07590	0.9
142.02692	0.4
143.03438	0.7
145.05016	0.9
145.10214	0.3
147.11763	0.4
149.09665	0.6
151.11243	0.4
155.10725	1.1
161.04498	1.7
161.09705	0.8
163.11244	8.5
164.11514	0.4
165.09213	0.5
165.12810	2.6
167.10747	0.6
171.10226	36.4
172.10565	1.5
179.05498	0.5
179.10715	0.6
181.12317	3.3
183.10284	0.3
185.11806	1.9
187.09747	0.4
189.09175	1.2
191.10759	1.1
197.11835	0.9
199.09741	0.9
199.13420	0.7
201.11305	16.5
202.11632	1.1
205.08533	0.3
207.10252	17.7
208.10570	0.8
209.11821	100.0
210.12158	5.3
210.14018	0.5
211.13405	0.7
213.11369	0.3
215.12898	2.1
221.11807	0.4
223.13330	0.8
225.11330	28.6
226.11708	1.3
227.12891	11.8
228.13191	0.7
233.11739	0.6
235.08273	4.0
235.13441	0.5
243.12386	2.4
249.11385	0.4
249.79512	0.3
251.12907	1.6
253.09314	10.5
254.09485	0.4
263.12817	0.7
277.09311	0.4
281.13696	0.3
289.07556	0.4
295.10355	0.7
309.65112	0.3
399.22043	1.5
405.17456	0.4
407.19376	0.6
417.22943	1.4
435.23441	0.3
443.19235	1.6
445.20963	0.8
461.10480	0.3
461.20374	5.1
462.20959	0.3
479.21725	0.6
635.30817	0.9
653.31714	2.7
654.32623	0.4
671.32837	3.4
672.33643	0.8
689.34045	3.9
690.34320	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38121	0.5
55.69506	0.5
57.03328	0.8
59.01265	2.6
65.00230	0.7
67.01792	0.6
69.03344	1.4
71.01278	2.8
72.99200	1.0
79.01793	1.1
83.01310	1.1
85.02850	1.3
87.00783	0.8
89.02351	1.3
95.01299	2.2
96.95918	0.8
97.02889	1.2
101.02360	1.2
107.01289	6.4
109.02876	1.2
111.00790	2.7
113.02363	1.5
121.02888	0.8
123.00797	12.2
123.04470	0.9
124.01623	1.6
125.02368	44.4
126.02746	1.7
127.00352	0.9
136.98880	1.1
137.02379	2.9
139.00302	3.8
140.01125	4.1
141.01836	1.8
145.02895	0.9
149.02382	1.6
151.00317	7.2
151.03970	1.6
153.01915	1.3
159.04446	0.5
161.02373	1.5
163.00267	0.7
164.01125	2.2
165.01883	1.5
166.99794	1.3
167.03491	1.3
168.00607	8.8
169.01381	64.1
170.01759	2.2
177.01814	1.2
179.03452	1.0
181.01421	0.9
193.01361	3.5
193.05110	0.6
203.03612	0.6
203.07156	0.6
205.05138	0.6
205.12396	0.9
211.02466	20.5
212.02887	1.2
217.01341	0.7
241.03627	1.6
245.08218	0.8
247.02510	0.9
253.03578	0.5
271.01877	1.0
271.04633	17.4
272.05029	0.6
273.00168	0.8
289.07245	1.7
295.04901	0.6
299.99188	0.6
300.99960	4.2
302.00076	0.9
313.05701	5.1
331.06827	1.2
423.05783	0.6
465.06265	0.6
482.52457	0.6
483.07938	13.9
484.08258	1.6
532.16187	0.5
537.19897	100.0
538.20325	12.6
561.13849	0.6
663.47308	0.7
689.21008	42.1
690.21564	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	689.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78405	0.3
52.85567	0.3
59.01257	0.8
65.06318	0.3
65.74341	0.4
67.01749	0.6
69.03352	0.4
71.01270	1.1
71.41345	0.7
73.02823	0.4
79.01788	0.8
81.03331	0.6
83.01250	0.5
85.02851	0.5
87.00732	0.5
95.01293	1.3
97.02852	1.0
99.00781	0.5
101.02355	0.3
101.32757	0.3
107.01292	4.4
111.00798	1.7
113.02348	0.8
123.00800	8.0
124.01555	1.3
125.02369	27.3
126.02665	0.6
136.98711	0.7
138.03221	0.3
139.00302	3.3
140.01115	3.2
141.01883	1.0
149.02296	0.5
151.00304	4.8
151.03891	0.5
152.00624	0.3
152.92351	0.3
153.01849	0.7
161.09682	0.7
163.03975	0.7
166.99763	0.7
167.03378	0.5
168.00566	5.8
169.01379	38.5
170.01723	1.2
175.04021	0.3
177.04045	0.4
205.05107	0.5
205.12317	0.9
211.02484	4.2
223.13184	0.4
237.04033	1.0
271.04645	2.0
272.04950	0.4
295.04660	1.3
313.05725	2.7
519.18799	5.6
520.19104	1.3
537.12231	0.7
537.19873	8.1
538.20038	1.0
672.89026	0.4
689.20978	100.0
690.21381	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	688.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89508	2.2
64.01808	2.3
65.99744	3.7
71.59855	4.2
77.28728	1.9
77.29366	2.1
83.01273	3.5
87.34165	2.0
95.01263	4.0
109.02882	3.2
111.00804	17.7
112.17678	2.5
113.89262	2.4
120.00794	2.4
123.00782	4.2
125.02370	9.1
133.02872	3.5
136.00285	3.6
137.02368	4.3
139.00285	4.2
140.01112	2.6
145.02866	3.2
148.00366	3.3
152.03497	3.4
152.43350	2.1
153.01912	2.8
161.02357	3.4
162.01855	4.4
163.00319	6.5
163.03860	3.7
165.01904	2.3
166.99876	3.1
169.01390	4.0
173.02444	3.2
177.01825	3.0
178.99815	6.1
184.00070	3.0
189.01910	6.5
191.03517	4.7
201.01910	5.0
203.03477	3.6
205.01286	2.7
206.00948	17.3
209.00854	4.0
214.99736	3.7
217.01367	9.5
224.01923	3.0
229.01393	9.8
231.02992	3.6
232.00128	2.4
233.00896	3.5
245.00949	7.0
247.02480	6.8
249.04079	3.0
257.00912	6.2
259.99591	2.8
261.00327	4.9
270.98914	3.8
273.00363	7.4
274.00998	5.4
275.02087	10.6
283.99478	2.5
285.00381	3.1
298.98462	4.8
299.99252	13.9
300.99957	100.0
302.00256	6.6
309.99637	3.3
312.01608	6.3
312.99875	5.2
315.98636	14.8
316.99454	44.4
337.99460	6.6
340.01111	7.2
356.00311	4.5
463.05499	19.1
481.06284	11.6
500.04993	2.8
502.06607	3.3
520.07281	9.5
621.07056	5.5
626.08044	2.7
630.06659	3.1
633.07684	5.2
642.07422	4.1
648.06238	12.8
670.07153	15.1
688.08307	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	687.3979
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
51.16094	0.4
52.33702	0.3
57.03340	0.9
58.91352	0.4
59.01273	1.9
61.98705	0.4
67.01768	0.4
71.01263	1.9
71.56577	0.4
72.99194	0.3
73.02834	0.5
83.01293	0.7
85.02866	1.6
85.71900	0.4
87.00803	0.7
89.02331	0.9
95.01298	1.1
95.18719	0.4
96.95914	1.9
97.06515	0.5
98.95499	0.7
99.04422	0.8
101.02358	1.3
107.01323	1.4
109.02881	0.9
111.00807	0.5
111.08133	0.4
113.02357	0.8
118.08152	0.4
121.02961	0.4
123.00803	2.3
123.04435	1.1
123.08051	0.6
124.01630	0.5
125.02372	9.8
126.02712	0.6
135.04507	0.5
137.02391	1.6
137.06050	0.6
139.03952	0.5
140.01093	0.6
145.02992	0.8
148.05260	0.5
149.02388	0.4
149.06029	3.9
149.09674	0.6
150.06812	39.1
151.00343	1.6
151.03978	1.0
151.07103	1.8
155.10703	0.6
161.02464	0.7
161.06088	0.4
161.09700	1.0
162.06865	1.0
163.00331	0.6
163.04001	0.6
163.07590	7.0
164.01120	0.6
164.08405	8.4
165.01907	1.3
165.09058	0.5
166.99794	0.4
168.00642	0.9
169.01390	12.6
176.08411	0.9
177.01993	0.6
177.09224	0.9
178.10001	1.9
179.10748	20.0
180.11072	1.3
211.02501	1.0
246.01518	0.5
271.04736	1.0
279.57544	0.4
282.07382	0.4
289.07388	1.2
300.99884	2.3
301.20523	0.6
306.18640	0.5
307.78397	0.5
313.05713	4.3
314.06116	0.5
324.94766	0.4
343.25037	1.5
345.22900	4.5
446.30417	0.8
461.33066	0.4
464.31561	5.7
465.31885	0.9
478.33020	0.7
479.33908	8.7
480.34296	1.3
506.32953	1.1
507.25818	0.5
507.32883	2.2
524.33533	3.4
525.34424	30.6
526.34729	5.3
535.31543	1.1
687.40131	100.0
688.40527	21.5
701.40802	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.7
57.03341	1.5
58.05418	0.5
59.01265	5.5
61.98720	1.5
67.01784	0.8
69.03344	4.2
71.01269	6.3
71.04918	1.8
72.99194	0.5
74.80725	0.4
80.02557	1.0
81.03346	1.8
83.01285	1.4
83.04926	3.5
84.02055	1.1
85.02850	1.5
87.00799	0.9
89.02326	3.8
93.03386	0.7
95.01304	1.2
95.04914	0.9
96.95940	0.5
97.02881	0.7
97.06509	0.6
98.19766	0.9
99.00768	0.6
101.02351	4.1
109.02876	0.9
109.06515	0.5
111.00803	0.6
111.04404	0.4
113.02335	2.1
119.03427	0.8
121.02878	0.5
123.00809	1.0
123.04436	0.5
123.08087	1.5
125.02380	2.7
125.06004	0.4
125.09615	2.2
135.08063	0.6
137.02385	0.9
139.00226	0.5
140.01094	0.4
143.03592	0.4
145.02885	0.7
149.09650	0.4
150.03136	0.4
151.03946	0.6
151.11218	2.3
153.12787	1.3
161.02367	0.4
161.04500	1.3
161.09682	3.3
163.11223	3.8
165.01894	0.4
165.12827	2.0
168.00525	0.4
169.01382	3.2
171.10202	0.9
178.11115	0.4
179.10751	7.1
179.56367	0.4
180.11053	0.4
191.10793	1.0
197.11826	70.7
198.12184	3.2
205.08687	0.6
207.10292	0.8
209.11833	52.5
210.12186	2.9
223.09853	2.0
225.11378	1.6
227.12915	4.0
229.29445	0.4
235.08252	0.6
241.10889	4.1
253.09387	3.1
289.07297	0.6
300.99832	0.7
312.99969	0.6
324.99960	0.9
445.02490	0.5
459.18777	0.5
477.19775	3.0
669.31464	1.0
687.32422	100.0
688.32776	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	685.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.6
59.01273	1.4
61.98709	0.6
69.03310	0.3
71.01269	0.9
73.02802	0.3
78.95770	0.4
83.01302	0.3
85.02838	0.7
87.00779	1.3
87.58276	0.3
88.98703	0.4
89.02335	0.5
96.95926	0.7
97.06485	0.4
98.19798	0.8
99.04428	0.8
101.02329	0.7
107.01286	0.5
109.02842	0.5
109.93243	0.3
113.02312	0.7
113.05983	0.4
117.03403	0.5
119.04937	0.5
121.06601	0.3
123.00800	1.2
123.04399	0.7
123.08079	0.6
124.01641	0.4
125.02347	3.8
127.11190	0.6
135.08044	0.5
136.05264	0.5
137.02379	0.9
137.05997	0.4
137.09621	0.8
139.03972	0.4
145.02887	1.1
147.62425	0.3
149.05997	1.4
149.16032	0.3
150.06805	33.2
151.04033	0.4
151.07190	1.5
153.09279	0.4
155.10753	0.5
161.02409	0.5
161.09622	0.7
162.06827	0.6
163.03973	0.6
163.07571	5.9
164.08392	6.3
165.01826	0.4
165.08743	0.4
169.01398	4.4
171.10150	0.5
176.04407	0.3
176.08434	0.5
177.01952	0.4
177.09198	0.8
178.09946	1.9
179.10744	18.5
180.11084	1.2
184.11000	0.4
197.59229	0.3
211.02420	0.4
215.32141	0.3
226.54045	0.3
229.10648	0.3
243.03003	0.3
257.00970	0.3
257.13986	0.4
271.15829	0.3
285.04193	0.3
289.07184	0.6
299.18610	0.4
300.99854	1.5
306.18408	1.2
313.05814	0.3
320.20117	0.3
321.20670	1.2
337.19986	0.3
341.23428	0.9
343.21292	5.1
344.21542	0.6
350.21051	0.6
373.45358	0.3
375.21066	0.3
459.31393	0.4
462.29984	1.9
463.30487	0.4
476.31537	0.4
477.32370	8.2
478.32358	1.4
483.64404	0.3
498.75543	0.4
504.30984	0.9
505.32031	2.2
506.32031	0.5
507.32959	0.3
522.32062	2.3
523.32849	25.6
524.33185	4.9
530.11786	0.3
552.66742	0.3
582.00085	0.3
594.06445	0.4
625.38251	0.4
685.38220	100.0
686.38556	21.0
686.50891	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.9
59.01275	1.6
61.98727	0.5
65.69499	0.3
67.01788	0.3
71.01276	1.5
71.58620	0.3
73.02834	0.8
75.00767	0.3
78.95799	0.4
83.01284	0.7
85.02853	1.2
87.00789	1.3
88.98689	0.3
89.02339	1.0
95.01286	0.5
95.04923	0.3
96.95905	1.5
97.02890	0.3
97.06445	0.4
99.04432	0.5
101.02345	0.9
107.01311	0.7
109.02849	0.6
109.06554	0.2
111.00787	0.5
111.04442	0.4
111.08049	0.6
113.02383	0.9
113.06023	0.6
116.92751	0.6
117.03367	0.6
119.04943	0.4
121.02871	0.4
122.03703	0.3
123.00819	1.3
123.04451	1.3
123.08070	0.6
124.01591	0.4
125.02367	6.0
127.11233	0.9
135.08104	0.8
136.05243	1.0
137.02380	1.0
137.06020	0.5
137.09637	0.9
137.19456	0.2
139.00317	0.4
139.11230	0.3
140.01122	0.4
141.09140	0.3
145.02919	1.7
149.02466	0.5
149.04958	0.3
149.06003	1.5
150.06815	38.4
151.00285	0.6
151.03983	0.8
151.07288	1.8
155.10732	0.8
161.02382	0.6
161.09677	0.9
162.06784	0.9
163.03989	0.8
163.07607	7.1
164.01149	0.4
164.08385	7.8
165.01909	0.7
165.08992	0.6
167.03537	0.3
168.00594	0.8
169.01404	4.8
170.01871	0.3
171.10132	0.4
175.04045	0.3
176.08325	0.7
177.09171	0.7
178.06190	0.3
178.09979	1.8
179.10756	21.9
180.11072	1.3
184.11066	0.5
193.05127	0.3
193.08708	0.3
195.13850	0.3
201.11255	0.8
203.07123	0.4
211.02486	0.7
221.11874	0.3
257.13904	0.6
261.18539	0.3
278.18811	0.4
279.19550	0.3
288.17419	0.3
289.07159	0.9
299.18781	0.4
300.99985	2.0
305.21088	0.3
306.18314	2.0
313.05750	0.6
320.20032	0.4
321.20795	1.3
327.66385	0.3
329.07983	0.3
341.23270	1.0
343.17404	0.5
343.21411	6.5
344.21634	0.7
350.21078	0.5
351.21521	0.3
364.22940	0.3
371.09161	0.4
391.22852	0.3
391.52747	0.3
441.30368	0.4
444.28931	0.4
459.31195	0.7
462.29935	2.7
476.31406	0.8
477.32324	8.7
478.32547	1.7
498.77914	0.3
504.30811	1.3
505.32001	2.2
507.32654	0.3
522.31970	3.0
523.32855	32.0
524.33319	5.1
533.29755	0.4
536.36505	0.3
539.21295	0.4
685.38208	100.0
686.38586	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	683.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39668	0.7
57.03329	6.1
59.01258	5.5
69.03334	1.5
71.01263	4.7
71.61684	1.0
73.02792	1.1
78.95795	1.4
83.01259	1.3
85.02833	1.6
87.00768	2.2
89.02325	2.2
95.04935	2.0
97.06483	15.9
98.06861	0.8
98.20490	0.8
101.02338	4.1
105.20036	0.9
113.02341	2.6
121.02871	1.0
123.08083	7.0
125.09640	83.5
126.09985	3.3
143.10736	1.1
143.97675	0.9
145.05008	2.1
161.04466	1.8
169.08592	0.9
187.09715	31.5
189.96457	0.8
235.08150	1.9
253.09254	3.2
277.21780	45.4
278.22058	4.5
379.10876	0.8
405.17664	5.1
423.18964	4.3
529.51617	0.9
636.64514	0.9
683.40259	100.0
684.40436	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	4.2
59.01264	6.8
69.03317	1.2
71.01275	4.7
71.61768	1.2
73.02801	0.8
73.95767	0.8
83.04934	1.0
85.02856	1.4
87.00795	1.2
89.02325	3.8
92.10202	0.7
95.04953	1.0
97.06496	12.0
100.35201	0.7
101.02350	2.8
113.02373	2.2
119.03457	0.9
123.08079	6.8
125.02338	0.7
125.09644	100.0
126.10002	3.3
143.10709	1.2
153.59279	0.6
169.08626	2.8
187.09726	70.8
188.10069	3.0
253.09303	1.8
261.13507	1.0
277.21750	13.8
278.22107	1.4
405.17673	4.4
423.18805	12.4
424.19196	1.8
432.72696	1.0
447.25357	0.9
452.62442	0.8
683.40247	95.0
684.40552	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	1.5
57.03345	1.4
59.01266	39.1
61.98717	1.0
69.03358	0.4
71.01271	16.2
71.17116	0.6
72.99198	0.6
73.02837	6.1
73.03246	0.4
74.92510	0.3
75.00751	0.4
81.03342	0.3
83.01268	2.8
85.02845	9.1
85.99519	0.3
85.99997	0.6
87.00796	1.0
87.42692	0.2
87.73947	0.2
89.02344	1.3
95.01270	1.4
97.02866	0.7
99.00793	2.6
101.02349	13.8
102.02636	0.3
107.01306	0.4
109.02883	0.5
111.00761	0.3
113.02358	8.4
119.04985	0.3
123.00773	0.5
123.04462	0.4
125.02361	4.8
133.02827	0.3
137.02382	0.8
139.00327	0.2
143.03415	0.8
145.02885	1.2
149.02357	0.4
151.03969	0.4
159.02946	1.8
159.04178	0.4
161.02393	0.6
161.04501	11.6
162.04932	0.3
163.04028	0.2
169.01410	3.7
175.03908	0.3
177.01862	0.3
205.03526	0.5
211.02478	0.7
245.08279	0.4
249.11313	0.2
271.06616	1.2
275.77097	0.3
289.07257	2.1
291.42490	0.2
297.18613	0.4
299.20230	64.5
300.20541	7.5
301.00031	0.4
313.05670	0.4
359.28091	0.6
375.27451	0.9
461.25562	100.0
462.25903	15.2
462.32504	0.6
478.26678	0.3
483.07687	0.4
489.10452	0.9
493.48474	0.3
537.28418	0.3
623.30768	3.7
624.31403	0.7
647.35022	0.6
683.21942	1.8
683.39337	0.6
684.25275	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.7
58.00469	1.6
59.01265	40.5
64.38895	0.5
68.94123	0.5
69.29778	5.9
71.01270	31.7
72.99197	1.9
73.02850	0.7
83.01291	1.3
85.02843	4.9
87.00780	2.7
89.02339	44.1
95.01288	1.5
101.02346	19.3
113.02358	15.4
119.03419	15.9
125.02388	0.9
131.03442	2.2
133.31822	0.5
143.03452	3.4
149.04485	1.4
161.04492	4.3
169.01364	1.6
179.05562	16.3
261.33310	0.6
341.10974	100.0
342.11322	6.3
350.44754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87598	0.6
57.03341	1.4
58.00484	0.7
59.01266	8.8
61.98727	2.9
67.01801	0.6
68.99717	0.8
69.03355	1.7
71.01273	11.3
72.99203	1.5
73.02853	1.3
75.40758	0.7
78.95819	0.6
79.01780	1.2
83.01297	2.3
85.02844	3.0
87.00326	0.8
87.00758	4.0
89.02354	3.5
93.03340	0.7
95.01316	2.5
96.95946	2.3
97.02879	2.1
99.00824	1.0
101.02359	3.9
107.01302	5.3
109.02888	2.5
111.00811	4.1
113.02364	3.5
115.00319	3.2
116.37932	0.6
117.03384	17.7
118.03773	0.6
119.03493	1.4
119.04950	15.8
120.05309	0.6
123.00806	13.1
123.04422	1.4
124.01624	2.0
125.02372	47.7
126.02759	1.7
127.00388	0.6
132.02072	2.9
133.02914	3.2
134.03670	7.6
135.04420	1.5
136.98790	1.7
137.02408	2.1
138.03226	0.8
139.00301	5.6
139.04018	0.9
140.01111	5.0
141.01912	1.5
145.02888	41.1
146.03259	1.3
147.04428	0.7
149.02414	1.8
150.03175	0.6
151.00311	7.7
151.03967	2.5
153.01888	1.4
156.70648	0.6
159.04478	1.1
160.01598	12.2
161.02414	11.0
161.04582	1.0
161.06003	1.1
163.03967	13.0
164.01126	1.5
164.04387	0.9
165.01938	1.7
166.99832	1.9
167.03546	1.4
167.99200	0.8
168.00595	9.0
169.01384	60.2
170.01779	2.7
174.03210	0.8
175.02496	7.9
175.04024	11.6
176.02760	1.2
177.01929	1.8
179.03566	2.4
179.05621	0.6
180.57379	0.7
181.01389	0.9
183.03014	2.3
187.03999	1.1
190.02756	1.2
191.03470	1.4
193.05034	4.7
195.02991	0.9
196.73723	0.6
202.02811	1.7
203.03522	1.6
205.05005	1.4
205.12341	1.6
207.03134	1.0
209.11859	0.7
211.02464	10.9
217.05086	2.3
223.02396	0.6
237.04007	1.2
241.03621	1.3
249.11526	1.4
265.85394	0.7
271.04816	7.8
289.07346	4.0
295.04477	3.0
297.06479	1.2
301.00085	2.7
312.05759	0.6
313.05719	13.0
314.06354	0.8
327.07553	1.3
341.11212	2.6
357.26779	1.0
358.27118	1.4
359.28168	11.0
360.28677	0.7
489.10501	46.9
490.10803	7.1
507.11826	1.8
507.19540	1.5
519.11768	4.1
519.19128	9.5
520.19379	1.3
520.32477	1.0
521.33362	2.0
537.19867	7.1
538.20178	0.9
682.37433	10.7
683.24091	100.0
683.38184	11.8
684.24530	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.6
57.03328	1.1
58.00475	0.9
59.01262	13.9
60.01578	0.3
61.98708	0.8
65.19748	0.3
65.44144	0.3
68.01462	0.3
70.81052	0.3
71.01271	13.3
71.61623	0.5
72.99198	1.5
73.02839	1.9
83.01270	2.3
83.50182	0.3
85.02841	4.5
87.00761	1.2
89.02343	5.4
89.02889	0.4
95.01280	1.4
96.95911	1.2
99.00775	1.0
101.02348	7.3
109.02820	0.4
111.00771	0.8
112.01530	0.3
113.02341	3.4
119.03391	0.9
119.04963	0.6
123.00806	0.5
123.04456	0.3
125.02376	3.0
129.01799	0.3
131.87506	0.3
137.02365	0.5
139.00340	0.5
145.02885	0.6
163.00302	0.4
163.03885	0.4
165.01923	0.4
168.00572	0.3
169.01353	1.9
175.02464	0.5
177.01915	0.4
185.11815	1.1
190.99834	1.2
206.02225	0.5
267.11029	0.3
289.07193	0.6
291.23212	0.3
297.24387	0.5
300.99942	0.6
309.24475	1.8
321.24362	1.1
327.25449	3.2
339.25473	8.4
340.25919	0.9
357.26529	7.5
358.26666	0.6
373.18518	0.4
483.29697	0.6
489.30704	0.9
499.83408	0.4
501.30832	6.6
502.31104	0.8
519.31842	17.1
520.31970	2.7
561.33112	0.4
585.15546	0.4
663.36047	0.9
681.37128	100.0
682.37476	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	681.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.2
57.03333	1.1
58.00486	1.0
59.01264	16.4
61.98722	2.3
65.62535	0.4
69.03333	0.7
71.01270	12.8
71.60266	0.6
72.99197	2.0
73.02835	2.0
80.77876	0.3
83.01295	1.8
85.02850	4.2
87.00800	2.0
89.02351	5.9
95.01304	1.1
96.95909	1.2
97.02833	0.5
99.00777	0.9
101.02348	6.6
109.02873	1.0
111.00788	0.9
113.02355	3.7
115.00295	1.5
119.03418	2.0
119.04930	0.5
121.02887	0.4
123.00813	0.8
123.04420	0.9
124.01570	0.4
125.02380	3.5
131.17232	0.4
134.03543	0.4
136.07603	0.6
137.02391	1.9
140.38359	0.4
145.02892	1.6
151.03922	1.0
161.02406	0.4
163.03999	0.5
163.11360	0.4
165.01920	1.9
168.00531	0.4
169.01389	2.9
170.01753	0.5
174.01733	0.5
175.02431	3.0
175.03865	0.5
187.04025	0.4
199.13373	0.5
203.07011	0.3
209.11678	0.5
212.42424	0.4
225.07634	0.5
264.27463	0.4
289.07288	1.1
300.99988	1.0
307.08417	0.4
309.24420	1.3
321.24258	1.9
327.25430	2.7
339.25479	9.8
340.25909	0.9
357.26550	8.7
358.26877	0.7
474.16925	0.5
501.30869	6.1
502.30862	0.8
506.19382	0.4
519.31866	12.4
520.32153	1.8
529.41083	0.4
645.29510	1.6
663.36560	0.7
681.37164	100.0
682.37531	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	681.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.7
57.03335	1.0
58.00477	0.6
59.01266	14.0
61.98728	0.6
68.03714	0.3
69.03375	0.4
70.90858	0.4
70.91183	0.6
71.01273	14.1
71.04906	0.6
72.99185	1.3
73.02846	2.2
73.03226	0.4
75.00755	0.4
79.01818	0.3
79.35960	0.3
83.01290	2.3
84.22146	0.3
85.02848	5.2
87.00760	1.6
89.01816	0.4
89.02338	5.1
95.01297	1.3
96.95908	1.1
97.02825	0.3
99.00784	1.1
101.02352	7.6
109.02898	0.8
111.00770	1.0
113.02367	3.5
114.42329	0.3
117.03366	0.5
119.03432	1.3
119.04923	0.4
121.02914	0.3
123.00796	0.9
123.04427	0.5
125.02378	3.7
137.02367	0.5
139.00267	0.4
145.02895	1.0
151.03871	0.4
161.02446	0.4
161.04535	0.5
163.00308	0.9
163.03915	0.4
165.01851	0.7
169.01355	2.7
169.06569	0.3
174.01627	0.4
175.02483	0.4
175.03937	0.4
185.11760	1.2
190.99840	2.3
191.05568	0.4
206.02196	1.0
229.49782	0.3
289.07343	0.6
300.99857	1.3
309.24496	1.5
311.25827	0.4
321.24344	1.1
327.25601	2.7
339.25513	7.6
340.25754	0.8
357.26538	8.0
358.26743	0.7
374.86020	0.3
401.53183	0.3
439.81702	0.3
483.30029	0.6
489.30905	0.8
501.30908	6.5
502.31116	1.1
519.31866	20.8
520.32281	2.7
561.32806	0.5
663.36133	0.7
681.37164	100.0
682.37598	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13940	0.1
57.69320	0.1
59.01260	0.3
61.69317	0.1
61.98695	0.2
70.36163	0.6
70.70564	0.1
71.01284	0.4
72.90430	0.1
85.02818	0.2
88.50521	0.2
92.33362	0.1
121.23644	0.1
125.02346	0.5
130.00496	0.2
132.02113	2.1
134.03668	1.8
137.02411	0.2
145.02876	0.3
146.54620	0.1
147.04468	0.2
149.06001	0.3
160.01610	6.9
161.01991	0.2
169.01318	0.2
175.03958	5.0
176.04471	0.3
178.02699	0.3
179.03606	0.2
185.99535	0.2
191.07111	0.2
193.05066	0.7
197.99535	0.2
213.99190	0.2
224.06059	0.1
225.62346	0.1
229.01570	0.2
235.06079	0.3
254.99554	0.7
257.00964	0.9
269.00961	0.4
269.98117	7.5
270.98557	0.9
282.99042	0.3
283.99670	0.4
285.00470	9.1
286.00974	0.8
295.08453	0.9
297.00336	0.7
297.97604	29.5
298.98038	2.9
299.01953	0.7
299.99200	0.2
301.00104	0.2
311.99271	0.5
312.99963	55.5
314.00394	5.0
327.01486	1.0
328.02304	57.9
329.02762	6.4
337.05212	0.1
337.09427	0.6
341.03055	0.2
343.04654	100.0
344.04990	8.5
373.26093	0.5
538.05530	0.2
649.11963	0.4
650.13074	0.2
666.12292	0.2
675.20044	0.2
681.14740	7.7
682.14734	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	0.2
60.27079	0.2
61.98721	0.3
64.84806	0.2
69.97613	0.8
71.01254	0.4
73.64140	0.2
78.60431	0.2
114.34417	0.2
123.04440	0.2
125.02375	0.5
132.02118	2.6
134.01949	0.2
134.03659	1.8
134.65570	0.2
137.02325	0.3
145.02817	0.2
149.06056	0.2
160.01620	7.0
161.01958	0.4
175.03955	5.6
176.04579	0.3
178.02618	0.3
183.76465	0.2
184.66005	0.2
191.07120	0.4
193.05008	0.9
223.23351	0.2
235.06044	0.2
241.98586	0.3
254.99319	0.7
257.00977	0.6
269.00928	0.6
269.95139	0.4
269.98096	7.4
270.98550	0.8
282.98874	0.4
283.99652	0.4
285.00494	8.6
286.00906	0.7
289.07297	0.2
295.08304	0.5
295.25601	0.2
297.00412	0.5
297.97607	30.2
298.98044	2.5
299.01938	0.8
311.99194	0.5
312.99966	55.4
314.00406	5.0
315.01376	0.3
327.01587	1.3
328.02310	61.5
329.02722	7.0
335.42834	0.2
337.09363	0.7
343.04654	100.0
344.05005	8.9
373.26071	0.7
544.77832	0.3
649.11682	0.2
681.14825	7.6
681.36115	0.3
682.15088	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	681.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30485	7.2
63.97400	7.5
69.32658	100.0
70.17527	9.4
70.46154	8.7
83.01307	10.4
96.95904	20.1
103.31889	9.0
109.47932	8.4
111.00815	26.2
114.16177	8.2
123.31598	8.0
125.02370	28.6
130.35851	10.0
137.02419	8.9
145.02931	10.5
154.99846	16.6
161.02367	15.3
163.00407	10.4
169.01379	37.6
189.01912	15.0
193.01341	9.7
205.01367	21.8
217.01376	13.9
233.00943	20.4
235.02486	9.9
245.00807	12.3
261.00409	25.1
275.02023	19.7
286.98431	13.3
289.07120	19.6
301.00046	98.4
304.04736	12.3
304.99335	13.9
314.97919	16.4
316.99493	40.5
463.05035	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	677.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	14.3
61.98708	15.5
67.99429	6.4
71.01271	6.9
71.58249	8.1
71.58743	7.7
71.69884	5.9
76.69341	5.9
78.95808	20.7
105.56716	8.7
152.99548	9.5
154.48813	9.2
211.13361	100.0
212.13828	8.5
239.63377	6.7
246.63622	8.0
288.20053	7.6
418.71536	7.3
447.22232	9.6
488.59698	8.6
531.03149	8.0
677.33911	30.3
678.34143	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	675.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	100.0
60.90269	1.6
68.23575	1.4
71.59782	2.0
89.39940	1.4
90.22169	1.3
105.99843	1.7
108.85181	1.3
115.07845	1.4
123.64737	1.6
129.65648	1.7
227.20203	5.1
309.15240	2.3
349.96866	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	675.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.4
55.72490	0.3
57.03329	1.0
58.00483	2.6
59.01268	43.9
60.01590	0.3
61.98713	0.7
66.24682	0.3
68.47200	0.2
68.99714	0.6
69.03343	3.0
71.01274	41.1
71.60433	0.4
72.01611	0.8
72.99198	3.5
73.02837	7.6
75.00765	1.1
78.95795	1.9
81.03335	2.0
83.01275	4.8
83.04927	0.7
85.02850	9.3
85.99994	0.5
87.00239	0.3
87.00373	0.2
87.00775	9.7
89.02342	34.2
90.02669	0.5
91.03923	1.0
92.96701	0.2
93.03365	0.6
95.01294	2.6
97.02863	6.6
99.00797	2.4
99.04415	0.5
101.02352	34.9
102.00002	0.3
102.02704	0.8
103.03923	0.4
109.02875	0.8
111.00828	0.7
111.04427	1.1
112.01595	0.5
113.02361	17.4
114.02703	0.3
115.03954	0.8
119.03429	10.7
121.02866	0.8
123.00826	0.4
123.04438	0.4
124.01691	0.3
125.02372	14.8
126.02731	0.4
127.03935	0.9
129.01852	0.3
131.03442	1.9
133.05029	1.0
137.02385	0.5
139.03922	1.2
141.01843	0.8
143.03444	6.8
149.04506	1.2
152.99471	1.8
154.39015	0.3
157.04926	0.3
161.04518	7.9
167.03481	1.1
169.05075	0.4
179.05576	7.6
180.05836	0.4
181.04988	0.4
185.04565	0.8
199.06129	0.3
199.58685	0.3
203.05615	0.5
217.07176	1.0
219.05090	0.6
221.06639	2.9
233.22810	0.3
235.08250	16.4
236.08665	1.2
241.01245	0.5
245.06702	1.1
253.09407	3.5
257.82443	0.3
259.20856	0.4
263.07770	1.5
275.20108	0.4
277.09378	1.2
277.21790	100.0
278.22134	9.2
287.07813	3.7
305.08884	4.7
306.09085	0.3
323.09869	2.0
361.11511	0.8
379.12418	0.9
397.13614	95.9
398.13956	8.4
415.14688	38.3
415.20459	0.6
416.14978	3.3
487.50266	0.4
593.27594	2.4
594.28107	0.4
672.77014	0.3
675.36139	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42418	0.1
55.01767	1.2
57.03337	1.4
58.00485	2.8
59.01266	52.3
60.00565	0.1
60.01599	0.5
61.19619	0.1
65.03835	0.2
67.01773	0.2
68.99702	0.5
69.03351	2.8
70.76081	0.5
71.01273	46.1
72.01616	0.5
72.99195	3.0
73.02840	7.4
75.00766	1.2
77.90118	0.1
81.03355	2.3
82.74800	0.2
83.01279	4.8
83.04932	0.6
83.05695	0.2
85.02846	8.8
86.00008	0.5
87.00774	10.9
87.04426	0.4
89.02338	38.1
90.02674	0.4
91.03899	0.9
93.03349	0.5
95.01291	3.1
95.04942	0.3
97.02857	7.2
99.00776	2.5
99.04427	0.7
101.02350	34.7
102.02689	0.5
103.00275	0.4
103.03932	0.4
107.05033	0.2
109.02883	0.7
110.67088	0.2
111.00783	0.7
111.04433	1.3
112.01598	0.4
113.02358	17.4
114.02648	0.4
115.03951	0.7
119.03422	10.7
121.02880	0.8
123.00826	0.4
123.04434	0.5
124.01595	0.7
124.15312	0.1
125.02370	14.6
126.02703	0.4
127.03927	0.8
127.07584	0.4
129.01854	0.2
131.03462	1.7
133.04993	1.5
134.94441	0.2
137.02393	0.4
139.03923	1.4
141.01868	0.9
142.02711	0.2
143.03438	6.8
144.03809	0.3
149.02406	0.3
149.04486	1.1
151.03964	0.2
152.92862	0.2
155.03403	0.3
157.05063	0.3
161.04507	8.6
167.03510	0.9
169.05017	0.6
171.02972	0.3
179.05582	7.1
179.07175	0.4
181.04979	0.3
185.04524	0.6
199.06088	0.6
203.05653	0.4
205.19708	0.1
217.07233	1.2
219.05075	0.4
221.06676	3.4
233.22772	0.6
235.08247	15.0
236.08641	0.6
240.94409	0.2
245.06696	0.9
253.09315	3.8
259.08298	0.2
259.20761	0.4
263.05109	0.1
263.07751	2.2
275.20142	0.6
277.09763	1.1
277.21777	100.0
278.22116	8.9
287.07791	4.0
291.23145	0.2
294.38239	0.1
305.08884	4.2
306.09354	0.2
319.22742	0.2
323.09888	2.1
361.11670	0.7
376.24042	0.1
379.12579	1.1
397.13586	91.1
398.13904	6.6
398.19284	0.2
415.14655	37.3
416.14923	2.2
675.36237	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13235	0.2
55.01771	0.4
57.03343	0.4
59.01266	2.6
61.51928	0.2
61.98711	0.9
65.00190	0.8
67.01779	1.5
68.99690	0.4
69.03339	0.9
71.01270	3.2
72.99191	0.7
73.02833	0.8
75.00757	0.3
76.58154	0.3
77.92657	0.2
79.01778	2.0
79.63584	0.2
81.03352	0.3
83.01279	1.3
83.04909	0.3
85.02862	1.5
87.00771	0.9
88.98712	0.4
89.02322	0.7
93.03321	0.3
95.01286	3.2
96.95895	0.9
97.02845	1.5
99.00819	0.4
101.02333	1.4
103.79142	0.3
107.01300	5.6
107.02018	0.2
109.02847	0.8
109.99979	0.5
111.00786	3.1
113.02345	0.9
119.04891	0.4
123.00800	20.5
123.04435	0.8
124.01521	1.6
125.02370	25.8
126.02748	0.6
127.00267	1.2
127.03873	0.3
133.02875	0.4
135.04471	0.5
136.98735	2.4
137.02402	1.4
139.00307	5.3
140.01108	4.2
141.01871	2.8
145.02855	0.7
149.02402	0.6
151.00307	11.2
151.03908	1.2
152.00636	0.3
153.01901	1.4
154.99826	0.4
159.04439	0.3
161.02324	0.8
163.03969	1.2
164.01057	0.4
165.01871	1.0
165.12782	0.3
166.99805	0.6
167.03479	0.3
168.00581	4.4
169.01382	22.7
170.01732	1.1
175.02443	0.2
175.03949	0.7
177.01874	0.4
179.03456	0.8
181.05023	0.4
191.05676	0.3
193.01424	0.3
203.03465	0.3
209.04306	0.3
209.11823	2.8
210.12129	1.6
211.02446	0.9
211.12357	0.5
227.12813	0.5
228.13280	0.4
252.85295	0.3
269.21384	0.4
271.04770	0.3
275.02109	0.4
287.19391	0.5
287.22351	6.1
288.22647	0.5
289.07285	1.3
301.00003	1.6
302.00339	0.3
313.05670	1.1
431.26736	2.7
432.27023	0.4
449.27655	18.6
450.27954	2.7
459.84140	0.3
505.14609	0.4
505.21100	0.3
523.21918	1.5
583.27673	18.5
584.28021	3.0
601.28711	4.5
602.28925	0.7
657.31958	0.3
675.23145	4.1
675.32495	100.0
676.32788	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02827	3.3
59.01268	20.6
61.98716	59.2
69.19273	3.6
69.31591	38.1
71.01264	14.5
83.04916	5.1
85.02860	5.5
87.00741	3.9
89.02325	7.3
96.95885	10.8
98.20541	8.2
99.00780	3.6
101.02348	14.2
107.01286	4.4
109.02876	6.1
109.06485	6.2
111.00778	4.5
123.04533	3.5
125.02360	13.8
126.80438	3.8
137.02451	4.5
161.04556	3.8
163.11221	5.3
169.01331	11.3
169.12286	7.6
171.10184	27.0
175.03976	3.6
177.79550	3.6
183.13931	8.1
185.11874	6.7
197.11818	100.0
198.12146	4.6
199.13466	6.2
207.10283	9.6
209.11824	89.0
210.12166	14.7
211.13487	22.1
212.13780	11.2
225.11302	9.4
227.12823	13.2
228.13217	7.6
245.85992	3.8
253.09268	13.9
433.20743	8.2
597.41095	4.0
615.41541	7.5
621.32788	17.2
639.33807	15.4
657.35077	5.2
675.24109	4.2
675.32495	34.8
676.32562	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	675.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36232	0.2
55.01770	0.3
57.03350	1.2
59.01263	1.1
61.98721	1.2
65.00207	0.4
67.01778	1.3
68.99716	0.5
69.03337	1.2
69.55605	1.2
69.56032	0.8
71.01279	2.0
72.99210	0.8
73.02855	0.6
78.95813	0.3
79.01787	0.9
81.03334	0.4
83.01278	1.1
83.04926	0.4
85.02850	1.1
87.00780	0.6
89.02348	0.3
89.72639	0.2
93.03343	0.4
95.01273	2.7
95.04916	0.2
96.95911	1.5
97.02853	1.3
99.00756	0.3
100.47318	0.2
101.02369	1.4
107.01295	7.9
109.02859	0.7
111.00787	3.7
111.04438	0.3
113.02341	0.8
119.04921	0.4
121.02868	0.5
123.00800	14.2
123.04452	0.7
123.08105	0.4
124.01621	2.3
125.02367	41.6
126.02720	0.9
127.00266	1.2
135.04407	0.3
136.98735	2.1
137.02347	1.2
137.09682	0.3
139.00305	5.3
139.03970	0.3
140.01096	5.0
141.01863	2.0
145.02911	0.5
147.04399	0.4
149.02417	0.5
151.00313	6.9
151.01518	0.4
151.03978	0.5
152.00691	0.3
153.01859	1.4
154.99759	0.5
161.02374	0.5
163.03969	0.8
165.01909	0.5
165.05472	0.6
166.02596	0.3
166.99806	0.7
167.03471	0.4
168.00594	6.9
169.01379	43.7
170.01724	1.8
175.03967	0.8
177.01849	0.3
179.03546	0.5
181.01347	0.3
181.03557	0.3
181.05003	0.4
189.01982	0.3
191.03450	0.6
193.01384	0.6
193.05002	0.8
207.02983	0.5
209.04607	0.3
209.11806	2.0
209.15465	0.9
210.12167	1.0
211.02487	1.5
227.12950	0.5
228.13211	0.4
237.04036	1.0
241.03575	0.3
253.03755	0.3
271.04547	0.4
287.22241	0.4
289.07248	0.3
295.04581	1.2
300.99890	0.9
313.05670	1.8
362.27057	0.3
389.49860	0.3
431.26489	0.3
449.27487	1.7
489.21332	0.4
505.20920	7.7
506.21576	1.2
523.21979	12.4
524.22668	1.6
583.27618	1.6
601.28674	0.3
674.34283	0.3
675.22998	100.0
675.32684	8.7
676.23340	17.2
676.32202	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.6
59.01277	0.8
61.98699	0.3
64.03150	0.3
65.00206	0.4
67.01777	1.5
68.99704	0.6
69.03336	1.2
69.24792	3.6
71.01266	3.2
72.99194	0.5
73.02821	0.5
79.01796	1.3
81.03334	0.4
83.01297	1.0
83.04993	0.3
85.02842	1.1
89.02365	0.3
93.03358	0.6
95.01303	1.7
95.04967	0.3
96.95913	0.3
96.99226	0.4
97.02855	1.1
98.19839	0.6
98.94725	0.3
101.02348	1.3
104.33894	0.3
107.01295	8.7
109.02876	2.1
111.00791	2.9
113.02373	1.0
119.04950	0.4
121.02873	3.0
122.03683	2.3
123.00799	14.0
123.04455	1.1
124.01675	1.9
125.02368	51.7
126.02704	1.7
127.00293	0.8
135.04404	0.7
136.98735	1.3
137.02359	1.9
139.00298	3.9
139.03911	1.1
140.01106	3.8
141.01915	1.8
147.04413	1.7
149.02274	0.3
149.06021	0.4
151.00313	8.9
151.03989	0.9
153.01910	0.9
154.02701	0.6
161.02396	0.8
161.05910	0.7
163.03972	0.9
165.01900	0.9
165.05527	5.7
166.99823	0.6
167.03482	0.7
168.00616	5.5
169.01378	63.2
170.01712	2.4
173.04536	0.5
173.24466	0.3
175.03928	0.5
177.01913	0.6
179.03471	0.6
179.07103	2.5
181.01407	0.5
183.02962	4.9
187.04123	0.3
191.07214	0.3
193.01469	0.4
203.07071	0.4
205.05055	0.4
211.02502	1.8
223.02499	0.7
223.09726	0.8
223.28098	0.4
241.03616	1.0
245.08209	0.3
253.03523	0.7
289.07260	1.9
297.06213	0.9
299.72171	0.3
301.00085	0.4
313.05725	15.6
314.06110	1.2
315.12442	0.8
327.07324	1.0
346.14636	1.5
346.18152	0.3
347.15076	4.2
361.16681	7.1
362.16968	0.8
385.12958	0.7
385.78119	0.3
407.07718	0.5
451.10721	0.6
459.47415	0.3
463.12396	0.4
494.14084	0.4
505.14786	0.5
513.16187	0.4
523.16095	1.5
675.23090	100.0
676.23474	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	675.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48547	0.3
53.55710	0.3
55.01767	0.5
58.00474	0.4
59.01258	3.7
64.52633	0.3
65.00194	0.5
67.01778	1.6
68.99670	0.5
69.03342	1.0
69.47384	0.3
69.47712	2.9
71.01271	4.2
72.99190	0.9
73.02834	0.6
79.01780	1.9
81.03323	0.7
83.01274	1.3
85.02849	1.9
87.00762	1.2
89.02336	0.9
95.01292	3.6
96.95914	2.6
97.02853	1.1
101.02341	2.2
106.00629	0.3
107.00620	0.6
107.01296	6.4
108.02118	0.3
109.02853	2.4
109.99982	0.5
111.00768	3.5
113.02372	0.9
119.03424	0.4
121.02909	1.9
122.03658	1.8
123.00803	18.7
123.04488	1.8
124.01653	1.9
124.28565	0.3
125.02369	25.1
126.02686	0.7
127.00261	1.8
129.03354	0.3
131.91492	0.3
134.03670	0.3
135.04456	0.8
136.98730	2.1
137.02388	2.0
138.03120	0.4
139.00296	5.8
139.03925	1.2
140.01099	6.0
141.01875	2.9
147.04468	1.4
147.37946	0.3
149.02367	0.6
149.06013	0.3
150.03128	0.5
150.99135	0.6
151.00308	8.9
151.03894	0.7
152.00667	0.7
153.01866	1.1
154.99802	0.5
159.04372	0.3
161.02391	0.6
161.06036	0.6
163.03909	1.0
165.01892	0.5
165.05527	3.4
166.99773	1.0
167.03430	0.5
168.00606	9.9
169.01382	28.7
170.01785	1.0
172.56937	0.3
173.05994	0.5
175.07547	0.6
177.03996	0.6
179.03450	0.8
179.07098	1.2
181.01389	0.6
183.02974	3.4
187.43565	0.3
191.06995	0.5
193.01457	0.6
195.03058	0.5
205.05159	0.4
207.06567	0.4
211.00485	0.4
211.02470	6.7
215.80734	0.3
223.02599	0.4
225.03958	0.8
237.40079	0.3
241.03616	0.4
245.08231	0.3
271.04630	7.8
272.05084	0.6
285.06339	0.6
289.07123	2.3
297.11340	0.4
299.12964	0.4
301.00018	0.9
306.07724	0.5
313.05710	1.2
313.14319	0.3
315.12564	0.5
329.05203	0.4
329.14008	1.2
331.06796	0.7
343.15607	0.4
346.14362	0.8
347.15085	5.1
348.15363	0.7
361.16599	5.7
362.16833	0.7
401.10986	1.3
423.42230	0.3
509.20432	3.8
510.20859	0.4
513.20087	0.4
523.22076	0.5
543.80310	0.4
599.35626	0.3
632.93213	0.4
675.23120	100.0
676.23474	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	675.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.4
57.03336	1.2
59.01267	1.5
65.00216	0.5
67.01781	1.4
67.82673	0.2
68.99709	0.6
69.03349	1.2
69.23484	0.2
69.55516	0.5
69.55931	0.8
70.25793	0.1
71.01266	2.0
72.99210	0.8
73.02858	0.5
75.00793	0.2
75.08778	0.2
79.01780	1.1
81.03351	0.9
81.50063	0.2
82.00488	0.2
83.01262	1.0
85.02850	1.4
87.00774	0.7
88.98689	0.2
89.02361	0.3
93.03375	0.4
95.01284	3.0
96.95942	0.2
97.02850	1.7
98.20520	0.3
99.00780	0.6
101.02340	1.3
107.01299	9.1
108.01606	0.2
109.02879	0.7
110.00024	0.6
111.00798	3.8
111.04471	0.2
113.02351	1.0
117.03412	0.4
119.04974	0.5
121.02888	0.3
121.06502	0.2
123.00804	15.3
123.04405	0.4
123.08012	0.2
124.01643	3.0
125.02370	48.0
126.02711	1.8
127.00279	1.3
130.04169	0.2
135.04442	0.4
136.98747	2.6
137.02403	1.0
137.09676	0.6
137.12552	0.2
139.00301	6.1
139.03940	0.4
140.01100	5.8
141.01884	2.2
145.02875	0.7
146.22231	0.2
147.04463	0.5
149.02368	0.8
149.09692	0.2
151.00314	9.7
151.03876	0.8
152.00667	0.3
153.01859	1.7
154.99809	0.4
161.02434	0.9
163.03951	0.9
164.01096	0.2
165.01912	0.6
165.05527	0.4
166.02702	0.4
166.99826	1.0
167.03441	0.3
168.00600	8.3
169.01382	55.6
170.01741	2.2
173.02409	0.2
174.03189	0.2
175.03943	0.9
177.01878	0.3
178.74086	0.2
179.03418	0.8
181.01346	0.5
181.05042	0.3
187.03984	0.2
189.01787	0.2
191.03539	0.4
193.01424	0.8
193.05072	0.7
194.99374	0.3
205.01410	0.4
205.05080	0.5
207.03000	0.5
209.04507	0.3
209.15446	1.1
211.02454	2.1
215.03462	0.2
229.01726	0.2
237.04091	1.2
241.03514	0.3
249.04100	0.2
253.03462	0.4
271.04718	0.6
275.02081	0.4
287.22336	0.3
289.07190	0.4
295.04758	1.0
297.06210	0.4
300.99954	2.1
302.00192	0.3
313.05670	1.6
314.06229	0.2
324.99753	0.2
449.27786	0.6
489.21484	0.7
505.20978	9.4
506.21213	1.5
512.04108	0.2
523.21973	16.2
524.22272	2.1
583.27789	0.7
593.06061	0.4
602.06140	0.2
634.98779	0.2
674.35077	0.4
675.23053	100.0
676.23389	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45560	0.4
57.03330	1.2
59.01263	2.5
59.05276	0.5
60.99187	0.9
67.01779	6.4
69.03349	0.9
71.01280	3.9
81.03346	1.1
83.04928	1.3
85.02841	3.2
87.00770	0.8
93.03364	35.4
94.03688	1.2
96.95920	4.7
99.04448	0.5
103.24531	0.5
105.37204	0.4
107.22094	0.5
109.02878	1.6
111.00772	1.0
111.04440	5.6
119.04951	22.7
120.05273	0.8
127.03944	1.3
137.02376	3.8
145.02946	0.4
155.03482	3.5
163.03960	12.3
173.04518	100.0
174.04840	4.3
191.05603	14.9
192.06050	0.7
197.43452	0.4
206.82019	0.5
264.10892	0.5
327.08713	1.0
337.09381	55.7
338.09702	6.1
398.77002	0.5
418.82541	0.5
675.20062	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89315	0.2
57.03340	0.6
59.01269	1.2
60.99181	0.4
67.01785	4.3
69.03350	0.8
71.01275	3.0
71.17235	0.6
79.34293	0.2
81.03357	0.7
81.72985	0.2
83.04924	0.8
83.18607	0.2
85.02850	0.8
87.00785	0.6
93.03362	23.7
94.03713	0.7
95.01324	0.2
99.04394	0.3
109.02866	0.7
111.00793	0.9
111.04432	4.1
113.02383	0.3
116.48040	0.2
119.04948	11.2
120.05263	0.6
125.02339	0.5
127.04018	0.2
137.02380	4.2
143.04869	0.2
155.03453	4.4
163.03966	16.1
164.04279	0.8
173.04520	100.0
174.04866	3.8
191.05592	4.2
192.06039	0.2
300.99884	0.5
327.08823	0.5
337.09384	29.9
338.09744	2.5
675.19904	0.3
696.28271	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	4.4
64.47031	0.7
71.59995	1.8
78.41677	0.9
78.95789	1.5
79.95599	1.2
81.03347	1.2
83.01275	1.9
85.02845	2.6
93.03352	3.5
95.04951	1.0
96.95913	100.0
97.02892	1.5
109.02865	10.7
119.04906	2.1
121.02920	1.1
123.04453	5.2
125.02367	47.0
126.02798	0.9
127.03869	0.9
127.05933	0.9
133.02864	1.8
135.04463	1.0
137.02390	8.5
139.03984	1.0
143.05049	1.6
149.02364	1.6
151.03958	6.7
161.02406	12.7
161.06018	2.0
163.00293	1.2
163.03979	3.1
164.01077	1.5
165.01859	1.9
169.01439	1.9
173.04535	4.5
175.03920	5.5
175.07655	1.0
177.01904	2.0
179.03436	2.8
187.03990	3.6
187.37926	1.0
188.04842	1.4
191.05585	24.9
201.05748	1.1
203.07150	5.0
205.01335	2.0
205.05055	3.2
227.03606	1.0
229.05048	1.9
243.03123	1.7
245.04584	2.0
245.08214	7.4
251.87263	1.0
255.03053	4.6
256.03775	2.5
257.04483	1.3
269.04669	1.2
273.04099	2.2
281.04626	1.9
283.02426	1.0
285.04294	1.4
287.05637	5.7
289.04028	1.6
289.07245	30.0
290.07571	2.5
299.05704	3.9
327.08853	6.9
327.12277	1.2
333.05698	1.0
339.08832	2.0
381.09573	1.4
390.51105	1.0
407.07758	32.3
408.08005	3.2
425.08859	36.5
426.09094	4.5
451.10425	8.9
483.07886	1.0
501.14032	2.4
577.13654	25.3
578.13702	4.0
675.19354	2.1
676.19415	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99740	0.7
56.40696	0.7
57.03325	1.3
58.00466	1.1
59.01260	10.3
61.98707	4.1
69.03347	0.9
71.01270	56.5
71.58377	0.9
71.58799	0.9
72.01577	1.1
73.02829	1.8
75.84272	0.7
78.95795	5.1
81.03352	2.1
83.01258	1.5
83.04914	5.5
84.02027	1.3
85.02840	2.7
87.00778	1.8
87.26664	0.7
89.02347	4.0
94.70048	0.8
95.01292	1.3
95.04935	1.0
96.95877	1.2
97.02881	2.1
97.06517	0.8
99.00777	3.0
101.02338	9.7
109.06511	7.2
111.00761	0.9
113.02345	3.2
119.03394	1.3
121.06481	0.9
123.04442	0.9
125.02369	1.1
125.09630	2.4
135.08163	2.0
135.43214	0.8
137.09633	0.9
142.02652	1.2
145.04971	1.6
152.99516	1.6
155.10753	1.0
161.04471	2.5
161.09605	1.3
163.11229	8.2
165.12801	3.4
167.10770	1.2
171.10254	7.7
181.12347	4.4
183.13863	10.6
184.14207	1.0
185.11816	1.8
191.10692	1.5
193.12280	2.1
199.09608	0.9
199.13368	19.1
200.13727	1.9
201.11263	6.4
207.10255	27.8
208.10609	1.8
209.11819	54.6
210.12064	4.1
211.13391	100.0
212.13713	6.9
225.11328	17.5
226.11662	1.4
227.12892	53.0
228.13226	3.8
229.14345	1.2
235.08255	4.9
243.12364	2.5
245.14011	1.2
247.13452	2.2
253.09329	13.1
265.14465	1.0
270.04678	0.9
277.21854	1.3
288.17902	0.8
339.23367	0.9
355.22720	1.0
373.23911	2.0
375.25604	1.9
383.22311	2.2
391.25037	2.2
401.23358	5.8
419.24646	4.0
443.19543	1.9
445.20935	1.6
447.22427	1.8
461.20474	5.3
463.22031	7.7
464.22348	1.5
493.28207	1.1
609.32910	1.0
637.32159	6.9
638.32562	1.2
655.33508	9.7
656.34045	2.8
673.34399	15.3
674.34778	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	673.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54150	0.1
57.03341	0.2
58.00496	0.2
59.01268	2.1
60.65104	0.1
63.90319	0.1
69.03364	0.2
69.40559	0.4
69.40984	0.4
70.87662	0.1
71.01266	1.9
71.04910	0.1
73.02827	0.5
75.39244	0.1
80.02567	1.2
81.03353	1.0
83.01284	0.4
83.04917	4.6
84.02074	0.8
85.02857	0.5
87.00770	0.4
89.02340	1.1
89.37932	0.1
93.03374	0.2
95.01324	0.2
95.04934	0.6
97.02867	0.2
97.06512	0.3
101.02351	1.7
106.04188	0.1
107.01273	0.1
107.64080	0.1
109.06519	0.3
110.96159	0.1
111.00767	0.1
113.02354	1.0
113.06016	0.1
119.03437	0.3
123.00847	0.1
123.08091	0.2
125.02364	0.4
125.06012	0.5
125.09646	0.3
135.08081	0.5
137.02385	0.1
143.03488	0.1
145.04991	0.2
147.11772	0.2
152.61533	0.1
161.04558	0.6
163.11250	3.6
165.01820	0.1
165.12808	2.5
166.13020	0.1
169.01402	0.3
171.10228	1.6
173.09813	0.1
179.05569	0.2
181.12355	0.7
183.13913	0.1
185.11850	0.2
191.10779	1.0
199.13403	0.2
207.10262	0.1
209.11824	100.0
210.12163	7.4
211.02510	0.1
221.11812	0.3
223.13383	0.2
227.12894	11.8
228.13220	0.8
235.08228	1.5
245.45425	0.1
247.13420	0.8
253.09326	4.9
254.09657	0.3
265.14514	0.2
289.07300	0.1
343.57050	0.1
359.28003	0.1
401.22958	0.1
419.24146	0.2
445.20718	0.8
463.21567	0.1
483.22394	0.1
521.33411	0.5
611.30536	0.2
637.32098	0.5
638.32794	0.1
655.32922	0.2
673.23187	0.1
673.34058	0.9
674.35083	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.3
55.02713	0.7
57.03333	2.0
58.00480	1.5
59.01265	12.8
61.25833	0.6
61.98714	4.3
69.03345	1.3
71.01272	77.7
71.06264	1.6
72.01633	0.7
72.99182	1.9
73.02839	3.7
75.00742	0.8
76.49352	0.8
78.95808	4.5
80.02571	1.2
81.03344	3.3
83.01284	1.5
83.04915	7.0
84.02046	1.0
85.02846	3.0
87.00765	3.7
89.02335	6.7
95.01277	1.7
95.04921	2.5
97.02839	2.9
97.06488	1.8
99.00779	3.1
99.04436	0.9
101.02345	9.4
109.06508	10.0
110.03604	1.1
111.00826	1.5
111.08048	0.7
113.02364	5.9
119.03420	1.8
121.06485	1.7
123.08096	1.4
125.02383	2.4
125.06018	0.8
125.09666	3.6
135.08096	1.7
137.09717	0.8
139.07576	0.7
142.02684	1.3
143.03516	0.8
145.04973	2.3
151.03978	1.2
152.99478	1.4
153.12798	1.0
155.10722	1.0
161.04500	3.1
161.09584	0.8
163.11266	10.3
165.12785	4.2
169.12282	2.1
171.10222	18.1
171.13806	1.0
172.10568	1.1
179.05565	1.0
181.12346	4.8
183.13875	10.8
185.11832	4.5
189.09192	0.9
191.10741	1.0
193.12347	1.8
197.11807	1.9
199.09775	3.2
199.13383	29.7
200.13692	1.3
201.11308	12.8
207.10251	26.8
208.10640	1.7
209.11830	89.3
210.12161	6.6
211.13393	100.0
212.13808	5.5
215.12886	1.8
225.11354	26.6
226.11725	1.2
227.12901	64.0
228.13243	4.5
229.14474	1.6
235.08253	5.9
235.13376	1.3
243.12285	1.8
247.13399	2.5
249.15060	0.9
251.12869	0.9
253.09314	16.4
254.09550	0.8
265.14539	1.4
329.24988	1.0
339.23343	1.0
357.24582	1.1
373.23972	1.7
375.25735	1.5
383.22318	3.2
391.25079	2.1
401.23514	7.8
419.24496	5.8
420.24985	1.1
437.25519	0.9
443.19562	1.5
445.20822	2.7
447.22678	2.5
461.20419	6.8
463.21985	9.5
471.22372	1.1
479.21835	0.8
501.23596	0.9
611.30920	1.0
619.31293	1.2
637.32495	9.6
638.32947	1.9
655.33484	11.9
656.34015	2.7
673.34320	12.6
674.34247	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	673.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.2
57.03329	0.2
58.00470	0.2
59.01259	2.0
61.98709	0.3
67.83450	0.1
69.03316	0.1
70.93830	0.1
70.94174	0.3
71.01268	1.7
73.02834	0.3
80.02567	1.1
81.03355	1.1
83.01273	0.5
83.04915	4.2
84.02060	0.7
84.05272	0.2
85.02831	0.4
87.00768	0.5
89.02332	1.3
93.03355	0.1
95.01279	0.3
95.04929	0.7
97.02831	0.2
97.06499	0.2
101.02338	1.3
109.06505	0.3
111.00793	0.1
111.08070	0.1
113.02364	1.0
119.03428	0.3
120.05772	0.1
123.00773	0.2
123.08064	0.2
125.02341	0.7
125.05975	0.5
125.09626	0.4
135.08102	0.5
139.00252	0.2
140.18181	0.1
143.03419	0.1
145.05013	0.2
147.11763	0.2
149.09637	0.1
151.00395	0.1
153.07806	0.1
161.04494	0.6
163.11238	4.1
164.11496	0.2
165.12794	2.3
166.13235	0.1
166.99843	0.1
169.01376	0.9
170.01707	0.2
171.01758	0.1
171.10211	2.0
174.83110	0.1
179.05565	0.3
181.12347	0.6
185.11787	0.1
191.10719	0.8
192.10950	0.1
199.13307	0.3
205.62694	0.1
207.10194	0.2
209.11818	100.0
209.43436	0.1
210.12163	6.7
211.02466	0.1
211.13358	0.2
221.11862	0.2
227.12889	13.8
228.13237	0.9
235.08221	1.6
244.58156	0.1
246.58002	0.1
247.13425	0.9
248.13675	0.1
253.09331	5.2
254.09717	0.2
265.14636	0.4
325.24115	0.1
375.22040	0.2
401.23431	0.3
419.24417	0.3
445.20892	1.0
446.21051	0.2
463.21933	0.2
611.30896	0.2
629.32635	0.1
637.32458	0.7
638.33179	0.2
655.33325	0.3
656.34149	0.1
673.33929	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.2
57.03340	1.4
58.00471	1.7
59.01268	12.2
61.98719	2.5
69.03342	0.8
69.98000	0.7
70.99329	1.5
71.01271	59.1
71.04894	0.9
72.01606	0.9
72.99197	0.9
73.02834	3.4
75.00753	0.7
78.95777	1.0
80.02572	1.6
81.03346	2.0
83.01273	2.1
83.04927	7.4
84.02045	1.2
85.02869	3.3
87.00784	3.3
89.02335	6.2
91.03870	0.9
95.01305	1.4
95.04919	2.1
97.02842	3.4
97.06498	1.8
99.00782	2.1
101.02354	9.0
109.02860	1.1
109.06508	11.6
113.02362	5.9
119.03422	1.7
121.06482	1.0
123.08068	0.9
125.02393	1.7
125.09647	2.8
127.11218	1.7
129.01791	0.7
134.69774	0.7
135.08110	2.7
136.32123	0.6
141.12953	0.7
142.02721	1.1
143.03400	1.4
145.05061	0.7
149.09663	0.7
151.11221	1.5
155.10738	0.8
161.04509	3.8
161.09689	1.5
161.92282	0.6
163.11247	13.1
165.12837	3.7
169.01204	0.6
169.12367	0.8
171.10229	16.3
171.13853	1.0
179.05562	1.4
179.10690	1.0
181.12325	3.6
183.13875	7.8
184.14191	0.8
185.11748	3.9
189.09093	1.0
191.10809	1.4
193.12337	1.8
197.11815	1.5
199.13393	23.3
200.13730	2.0
201.11319	10.6
207.10258	25.4
208.10616	1.0
209.11832	100.0
210.12154	6.4
211.13393	71.8
212.13731	3.4
215.12921	2.2
219.86536	0.7
221.12013	0.7
223.13342	1.2
225.11348	22.4
226.11667	1.0
227.12906	67.6
228.13303	2.9
229.14540	2.5
229.53070	0.7
235.08301	5.6
235.13451	1.5
237.15134	0.8
243.12440	1.7
245.13914	1.1
247.13348	2.5
251.12886	1.1
253.09329	15.1
253.14484	1.0
265.14456	1.9
339.23734	1.4
357.24466	0.8
373.24002	2.0
375.25397	1.3
383.22498	2.2
391.25269	1.6
401.23428	7.4
402.23734	1.0
419.24539	5.6
437.25256	1.0
443.19257	1.2
445.20938	2.9
447.22351	1.7
461.20508	5.1
463.21909	8.8
464.22052	0.9
610.31708	0.8
619.31140	1.1
637.32446	6.8
638.33246	1.5
655.33551	12.7
656.34204	2.7
673.34265	10.6
674.34930	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	673.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.5
56.56030	0.4
57.03331	1.7
59.01264	7.6
61.98721	1.3
65.00220	0.4
67.01784	0.8
69.03352	1.0
71.01276	7.4
71.59494	0.5
71.64924	0.4
72.99197	1.1
73.02850	1.0
79.01788	0.7
80.02565	0.9
81.03375	1.2
83.01279	1.7
83.04913	2.8
84.02049	1.0
85.02856	2.9
87.00784	1.0
89.02345	3.5
93.03378	1.2
95.01279	2.2
95.04942	0.7
95.14753	0.6
96.95902	0.8
97.02842	1.0
99.00787	0.7
101.02343	4.7
107.01292	3.8
108.95592	0.4
109.02872	1.9
111.00787	1.8
111.08051	0.4
113.02360	2.2
116.92784	0.7
117.03348	0.5
119.03419	1.1
123.00803	9.8
123.04434	1.9
124.01595	1.5
125.02374	21.2
126.02744	0.8
127.00302	0.5
133.02866	0.5
136.98770	0.7
137.02397	2.5
139.00264	2.5
140.01106	1.9
141.01904	1.2
145.02898	1.1
149.02402	0.8
151.00323	4.2
151.03938	1.5
153.01895	0.5
153.05519	0.6
161.02362	1.3
161.04507	0.7
163.04024	0.9
163.11223	2.1
164.01178	0.5
165.01888	1.7
165.05518	0.6
165.12793	1.5
166.99879	0.5
167.03456	0.5
168.00620	2.5
169.01376	16.7
170.01822	1.1
171.10217	1.0
175.03931	0.9
177.01904	0.9
179.03442	0.6
187.03970	0.5
193.01424	0.5
193.05043	0.6
203.03638	0.6
203.07057	0.5
209.11824	65.6
210.12151	4.8
211.02364	2.5
227.12875	9.9
228.13371	0.7
233.15439	0.5
235.08347	0.8
253.09300	3.3
271.04623	1.1
277.04916	0.5
289.07095	2.2
295.22656	1.1
301.00034	2.4
313.05627	1.2
313.24042	2.5
341.26990	5.9
342.27451	0.7
357.26743	0.9
359.28116	18.4
360.28558	1.8
375.27362	0.6
445.20697	0.6
472.21921	0.5
493.18686	0.6
503.32266	1.4
521.20520	1.0
521.33429	37.2
522.33923	5.6
637.32849	0.5
655.33911	1.5
673.22101	7.5
673.34454	100.0
674.22260	2.5
674.34778	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	673.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.5
59.01262	2.1
65.00193	0.5
65.83755	0.4
66.77618	0.3
67.01767	0.8
68.99702	0.4
69.03346	1.5
70.95452	0.6
71.01260	3.3
71.58987	0.3
72.99199	0.5
73.02831	0.3
78.38111	0.3
78.95792	0.4
79.01788	0.8
81.03354	0.6
83.01276	1.3
83.01719	0.3
83.43764	0.3
85.02831	1.9
86.92086	0.3
87.00788	0.5
89.02357	0.7
93.03355	0.5
95.01276	2.4
95.04942	0.3
96.95911	1.0
97.02845	1.9
99.00783	0.4
101.02345	1.6
107.01292	9.8
109.02856	0.9
109.99981	0.3
111.00779	2.2
113.02349	2.2
119.04899	0.4
121.02882	0.6
123.00796	8.2
123.04441	0.7
124.01603	2.5
125.02365	73.6
126.02718	2.2
127.00275	0.9
133.02940	0.3
134.89418	0.3
135.04486	0.4
136.05214	0.7
136.98750	1.4
137.02351	2.7
137.09673	0.7
139.00290	4.0
139.03944	1.2
140.01106	4.0
141.01884	0.8
149.02370	1.0
149.06042	0.3
151.00316	4.8
151.03979	0.9
153.01849	0.7
154.99794	0.6
156.41820	0.3
161.02344	0.7
161.04449	0.3
163.03938	0.8
164.01074	0.4
165.01898	2.1
165.09207	0.6
165.38539	0.3
166.99809	1.2
167.03430	1.7
167.99164	0.7
168.00595	13.4
169.01376	100.0
170.01723	3.4
175.04030	0.4
177.01939	0.5
179.03470	0.9
181.01378	1.2
181.05016	0.6
183.02922	0.9
190.99774	0.5
193.01379	6.8
195.02930	0.4
195.06660	0.4
205.01413	0.4
205.05128	0.3
207.02895	0.4
209.11848	0.6
211.02464	41.3
212.02814	1.8
221.04510	0.4
223.02470	0.7
235.02498	0.4
241.03522	3.1
253.03658	0.7
271.04654	26.2
272.05032	1.4
289.07346	1.2
295.04626	1.4
299.99213	1.9
301.00012	1.4
313.05746	6.9
314.06229	0.5
329.06262	0.3
331.06693	1.5
333.65485	0.4
413.18726	0.4
423.05634	1.4
463.08057	0.4
465.32159	0.4
483.07919	26.0
484.08090	2.6
511.32706	0.7
521.20087	0.8
673.21545	94.1
673.34528	7.2
674.21906	16.0
674.34003	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2154
Annotation	Premithramycin A2'
Peak:m/z	Relative Intensity
55.01767	0.9
58.44473	0.6
59.01265	5.2
61.01723	0.7
65.00210	1.1
67.01765	2.9
67.13271	0.6
68.99674	0.7
69.03342	2.1
69.42332	0.7
71.01276	5.4
72.99195	2.2
73.02834	1.4
79.01788	4.0
81.03355	0.8
83.01269	2.8
85.02838	2.1
85.99986	0.7
87.00785	1.9
89.02328	2.5
93.03346	0.8
95.01292	7.0
96.95888	1.4
97.02861	2.7
99.00807	0.9
101.02333	4.1
107.01302	11.0
109.02854	2.0
110.00035	1.5
111.00788	6.6
113.02357	2.5
121.02882	3.6
123.00806	42.4
123.04433	2.2
124.01526	3.5
125.02374	45.4
126.02699	1.0
127.00330	3.6
135.04463	1.1
136.01550	0.7
136.98755	5.2
137.02412	3.2
139.00313	13.3
139.03915	3.0
140.01097	12.9
141.01865	5.2
149.02411	1.3
151.00330	17.2
151.03908	2.0
152.23384	0.7
153.01901	3.2
154.99802	1.4
159.04437	1.1
161.02423	1.5
161.06049	0.8
164.01123	1.1
165.01848	1.9
166.99844	4.4
167.03394	1.1
168.00604	17.0
169.01384	47.6
170.01700	2.1
175.03966	1.2
177.01833	1.5
177.03976	1.1
179.03467	1.8
181.08644	1.0
182.02069	1.2
183.02933	8.2
189.01744	0.7
203.07002	0.8
205.05070	1.1
211.02492	10.2
225.04042	1.3
240.04211	0.9
245.08124	0.8
255.06737	1.0
256.07285	0.9
268.07495	1.4
269.08240	1.4
270.08752	1.0
271.04660	5.4
273.00623	1.0
273.84732	0.6
281.08215	1.8
282.09036	1.5
283.09702	2.5
289.07227	2.0
295.09683	0.8
297.06223	1.4
297.11243	1.5
299.09329	1.4
300.10123	1.8
300.99954	2.1
303.05078	1.1
312.10043	0.9
313.05792	1.2
313.11230	0.8
314.08432	0.9
314.11658	1.6
315.12280	3.3
326.11563	1.9
327.12451	2.9
329.05161	1.3
329.14041	3.2
341.13977	1.8
355.11948	0.9
371.13535	1.7
445.14474	0.9
461.14059	1.0
462.15320	2.7
476.17017	3.9
477.17755	15.9
478.18341	1.9
489.17786	2.0
491.19366	6.8
492.19785	1.3
503.19238	2.3
521.20410	1.6
537.16296	4.1
562.54199	0.7
628.17987	1.3
636.61237	0.7
643.20465	82.8
644.20795	13.9
655.20532	34.7
656.20721	7.7
673.21490	100.0
674.21729	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.6
57.54548	0.5
59.01266	1.1
65.00196	0.5
67.01799	1.2
69.03336	0.8
71.01270	3.3
73.02838	0.5
74.39957	0.5
78.53416	0.4
79.01785	1.2
81.03378	0.7
83.01289	1.0
85.02873	0.8
89.02335	0.6
93.61898	0.5
95.01288	1.7
97.02908	0.7
98.19807	1.8
101.02348	1.5
107.01300	12.3
109.02869	0.6
110.00014	0.7
111.00799	2.2
113.02388	1.7
121.02876	1.6
123.00797	14.9
123.04401	0.5
124.01530	1.7
125.02367	68.1
126.02723	2.1
127.00293	0.6
136.98730	1.7
137.02365	1.2
139.00319	4.0
139.03923	1.4
140.01088	4.1
141.01895	1.6
145.02818	0.5
149.96823	0.5
151.00291	9.1
151.03961	0.6
153.01843	0.7
166.99782	0.8
167.03461	0.8
168.00566	4.2
169.01381	74.8
170.01762	2.8
173.04305	0.6
179.03426	0.9
183.02997	3.2
193.01353	0.7
211.02463	2.2
221.39804	0.5
241.03593	0.8
253.03618	0.8
269.08298	4.7
270.08600	0.6
281.08234	1.1
283.09851	1.8
299.09283	2.0
300.10019	1.0
311.09335	5.0
312.09888	1.4
313.05698	16.4
314.06088	1.2
314.11618	5.0
315.12259	1.8
326.11575	3.1
327.07339	1.0
327.12219	1.1
329.14026	5.8
341.13989	1.2
673.21484	100.0
674.21857	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	671.403
Annotation	Guineamide D
Peak:m/z	Relative Intensity
55.49141	0.2
57.03342	0.4
59.01264	1.2
61.98717	0.4
63.49298	0.2
68.67508	0.2
71.01272	1.0
71.61124	0.4
73.02829	0.3
74.38039	0.3
76.90903	0.3
83.28986	0.3
85.02866	0.9
87.00751	0.5
89.02338	0.4
99.04414	0.4
101.02430	0.3
111.04384	0.3
111.08061	0.3
113.02352	0.4
113.06001	0.6
121.02869	0.9
123.00789	0.6
123.04470	0.4
125.02343	1.7
127.11192	0.4
127.12959	0.3
135.08125	0.7
136.05278	0.4
137.09671	0.5
149.06047	3.5
150.06810	36.6
151.00340	0.4
151.07246	1.2
155.10713	0.5
161.09659	0.8
162.06813	0.9
163.07593	8.2
163.11290	0.3
164.08376	4.0
165.01906	0.9
168.37646	0.3
169.01353	1.5
176.08411	1.7
177.09328	0.6
178.09941	2.8
178.22972	0.3
179.10748	11.0
180.11057	0.5
207.10211	0.5
209.11873	0.9
225.11378	0.6
265.21832	0.6
313.05869	0.5
327.25491	1.4
329.23358	5.2
355.95676	0.3
357.26581	0.9
427.32425	0.4
430.31100	0.9
431.31488	0.3
440.29523	0.3
445.33389	0.5
446.34381	0.4
448.32080	7.7
449.32697	1.0
462.33698	1.4
463.34421	11.4
464.34720	1.5
473.33444	0.4
490.33179	1.7
491.33878	2.9
496.03271	0.3
508.34073	3.4
509.34940	29.0
510.35385	4.1
519.32239	1.3
551.36224	0.4
612.81299	0.3
671.40485	100.0
672.40863	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.4
57.03320	0.7
58.00452	0.4
59.01270	7.3
61.98703	1.0
67.01773	0.8
69.03336	0.8
71.01273	6.1
71.53498	0.7
72.99181	1.0
73.02821	0.8
78.95792	0.4
79.01776	0.8
81.03334	0.4
82.72817	0.3
83.01250	1.0
85.02856	1.9
87.00774	0.8
89.02343	3.3
95.01289	1.7
96.95873	0.4
97.02853	0.7
99.00747	0.5
101.02349	3.2
107.01287	3.6
109.02821	0.7
109.06477	0.7
111.00755	1.2
113.02368	1.9
119.03387	1.0
120.40807	0.3
121.02845	0.5
123.00806	10.8
123.04468	0.5
124.01559	0.9
125.02372	15.6
126.02659	0.5
127.00282	0.9
135.04414	0.5
136.98698	0.8
137.02385	0.5
139.00320	2.8
140.01089	2.3
141.01822	1.4
149.05972	0.4
150.06841	3.0
151.00316	3.9
151.03879	0.8
151.07133	1.3
163.07564	0.6
163.11206	0.4
164.08336	0.5
165.01828	0.7
168.00572	1.7
169.01390	15.2
170.01660	0.6
174.16486	0.3
179.10620	0.9
180.11031	0.4
185.11711	1.3
204.11171	0.3
207.10196	1.2
209.11880	2.3
211.02425	1.6
217.01437	0.6
225.11276	1.6
227.12799	0.7
271.04486	1.6
297.24438	0.6
308.09140	0.3
309.24173	0.4
311.22458	0.4
313.05618	1.0
327.25424	3.3
339.25473	7.3
340.25674	0.7
341.06866	0.8
357.26517	13.4
358.26636	1.4
408.11249	0.4
447.30759	0.8
448.30807	0.4
462.32968	0.8
463.32977	0.5
465.11563	0.6
501.30807	1.8
507.32883	0.6
508.33490	1.3
509.33856	1.2
519.31873	40.8
520.32208	6.5
653.31860	0.6
670.39227	4.6
671.32654	100.0
672.33160	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	671.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76697	0.4
55.01772	0.6
55.39124	0.3
57.03341	0.7
58.00485	0.4
59.01263	11.1
60.14172	0.3
61.98724	2.0
63.72581	0.3
71.01271	7.1
71.58294	0.5
73.02843	1.5
78.95800	0.5
79.13571	0.3
80.02568	2.1
81.03344	3.4
83.01286	1.4
83.04917	7.9
84.02058	1.1
85.02847	2.3
87.00774	1.5
88.98692	0.7
89.02347	4.3
93.03352	1.3
95.01285	0.7
95.04910	1.9
96.95879	0.3
97.02852	5.1
97.06486	1.2
99.00784	1.4
101.02339	5.2
107.04932	0.6
109.02883	1.1
109.06503	21.4
110.03654	1.3
110.06841	0.9
111.00842	0.4
111.04425	0.6
111.08085	0.4
113.02365	3.1
119.03423	1.2
121.02883	1.2
121.06548	1.8
121.10238	0.3
123.00798	1.0
123.04416	1.6
123.08076	0.7
125.02392	3.1
125.05971	0.7
125.09660	2.8
135.04480	0.4
135.08104	3.5
136.05226	1.4
137.02385	1.0
142.02663	1.5
143.03423	0.5
145.02869	0.9
145.04980	0.5
145.10132	0.6
149.09703	0.4
151.00357	0.6
151.03954	0.8
151.07617	0.6
161.02344	0.8
161.04590	1.9
161.05852	0.4
161.09676	1.3
163.11234	16.5
164.01167	0.5
164.11548	1.1
165.01881	0.7
165.12785	2.5
166.61847	0.3
168.00580	0.4
169.01372	2.3
171.10251	3.2
179.03499	0.4
179.05531	0.8
179.10783	0.9
181.12314	4.4
185.11807	2.8
187.09781	0.9
189.09171	1.9
191.10788	1.4
197.11755	0.3
201.11304	0.7
205.05096	0.4
207.10254	59.5
208.10562	3.8
209.11821	100.0
210.12158	6.2
211.13374	1.1
213.09146	0.5
217.12180	0.4
221.11800	1.0
223.09906	0.4
223.13388	0.8
225.11328	29.9
226.11682	1.7
227.12881	14.2
228.13329	0.6
231.10266	1.1
235.08278	3.4
235.13451	1.0
243.12344	0.8
245.11816	0.8
247.13443	1.2
249.11334	1.4
253.09322	10.9
254.09657	0.6
263.12878	1.8
265.14441	1.2
281.14130	0.8
289.07346	0.6
299.15076	1.0
355.23068	0.7
357.26395	0.4
371.22369	0.4
373.23883	1.1
381.20657	0.6
389.23328	0.5
399.21783	5.9
400.22348	0.5
405.17694	0.4
417.22818	5.0
418.23251	0.7
428.69806	0.4
435.23859	0.6
443.19342	2.6
445.20895	0.9
461.20453	10.5
462.20789	1.1
465.11081	0.4
485.20193	0.9
491.26147	0.5
509.25922	1.7
510.26599	0.4
519.32233	0.5
609.28766	0.8
625.33160	0.6
627.30658	0.8
635.30939	12.2
636.31390	2.0
653.31946	15.2
654.31958	2.3
671.32849	29.6
672.33026	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	671.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58097	0.5
57.03329	1.6
58.00465	0.6
59.01265	8.4
61.98722	3.6
63.17894	0.5
67.01768	0.9
69.03332	1.0
71.01267	7.5
71.61382	0.5
71.61766	0.6
72.99204	1.5
73.02837	1.6
78.81422	0.5
78.95775	1.0
79.01803	1.2
81.03347	0.7
83.01282	1.7
83.04936	1.1
85.02839	3.0
87.00778	1.8
88.98666	0.6
89.02326	4.9
95.01292	1.9
95.04939	0.9
96.95908	1.7
97.02851	1.6
99.00774	0.7
101.02349	4.6
103.04183	0.6
107.01305	3.2
109.02839	1.5
109.06516	1.6
111.00787	1.5
113.02338	2.7
113.09720	0.6
119.03419	1.3
119.04945	0.6
123.00797	10.0
123.04440	1.7
124.01584	1.2
125.02371	29.4
125.09696	0.7
126.02742	1.2
129.01895	0.7
137.02415	3.2
137.03287	0.6
139.00299	2.7
139.07584	0.7
140.01137	0.8
141.01851	1.1
145.02866	1.6
149.04489	0.7
149.05948	0.6
150.06786	0.7
151.00305	4.7
151.03938	2.2
152.99612	0.6
153.01816	1.0
161.02370	2.0
163.11217	1.5
165.01866	2.4
165.05504	0.9
166.99736	0.8
168.00583	2.2
169.01385	29.5
170.01741	1.2
171.10236	0.8
175.03979	0.9
175.07573	0.7
177.01917	0.8
179.03493	0.7
199.13347	1.4
205.04965	0.9
207.10226	5.0
209.11807	11.3
210.12259	0.6
211.02449	2.2
217.01656	0.7
225.11349	7.2
226.11395	0.6
227.12869	2.2
235.08269	1.0
245.08250	0.7
253.09355	1.2
289.07239	2.0
297.24420	0.9
300.99991	0.8
309.24588	2.9
311.26471	0.7
313.00031	0.9
313.05783	3.8
327.25555	5.4
328.02515	0.6
328.25598	0.6
339.25473	7.7
344.05164	1.0
357.26575	18.2
358.26862	2.0
399.20505	0.8
443.19025	1.2
445.20810	0.6
461.20309	1.7
477.78870	0.5
489.30814	3.6
501.30829	1.7
501.37778	0.6
519.31854	32.4
520.32098	4.8
635.30310	1.1
653.31750	1.8
671.32953	100.0
672.33276	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	671.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.7
57.03330	1.2
58.00486	0.5
59.00993	0.6
59.01266	8.4
61.98702	1.8
62.99508	0.4
67.01776	0.6
69.03329	1.0
71.00890	0.7
71.01270	9.2
71.53286	0.9
72.99191	1.3
73.02824	1.5
75.51971	0.5
79.01817	0.7
81.03339	0.7
83.01295	2.1
83.04890	0.7
85.02836	3.2
85.31541	0.4
85.99952	0.5
87.00768	1.1
88.98681	0.8
89.02327	3.6
93.03359	0.5
95.01278	1.9
95.04916	0.7
96.95898	1.6
97.02851	1.6
101.02357	3.8
107.01289	4.1
109.02841	1.8
109.06472	1.5
111.00800	1.4
113.02354	2.6
119.03423	0.9
121.02917	0.8
123.00801	9.5
123.04418	1.3
124.01562	1.7
125.02368	21.2
126.02685	0.7
127.00292	0.9
135.04449	0.4
137.01416	0.5
137.02391	1.6
139.00304	1.8
140.01048	1.3
141.01881	1.2
145.02849	0.9
149.02373	0.7
151.00314	3.7
151.03954	1.5
153.01874	1.0
161.02390	1.0
161.04541	0.6
163.11189	1.4
165.01834	0.8
166.99863	0.5
168.00629	1.3
169.01378	16.1
170.01778	0.6
171.10202	1.5
177.01881	0.5
179.10681	0.5
185.11818	1.6
199.13368	0.5
205.05087	0.6
207.10300	5.0
209.11809	10.7
210.12166	0.5
211.02472	1.0
225.11330	6.3
227.12881	1.6
235.08282	0.6
245.08179	0.7
253.09282	1.5
271.04684	0.8
278.08322	0.6
287.05676	0.6
289.07272	2.5
297.24460	0.7
300.99866	1.0
309.24228	2.5
313.05725	0.9
314.00778	0.5
325.24448	0.5
327.25494	6.6
328.02280	0.7
328.25684	0.5
329.03214	0.6
339.25455	4.9
355.24429	0.4
357.26532	17.1
358.26987	1.4
407.07486	0.5
443.19043	0.5
461.20291	1.4
489.30710	4.7
490.30872	0.7
501.30792	1.8
519.31854	40.5
520.32239	5.1
635.19995	0.6
635.30371	0.5
653.31976	2.2
654.32117	0.6
671.33032	100.0
672.33411	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	671.2
Annotation	(+)-Pinoresinol 4-O-(6''-O-galloyl)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.51707	0.3
55.01772	0.3
59.01273	0.7
59.67851	0.3
67.01454	0.3
67.01785	1.2
68.99710	0.6
69.03337	1.2
71.01277	3.3
72.99200	0.7
73.02850	0.5
78.31069	0.3
79.01785	1.0
81.03341	0.6
83.01282	0.9
85.02852	1.4
86.82204	0.3
87.00778	0.5
88.98706	0.3
89.02368	0.3
90.59761	0.3
90.73323	0.3
95.01279	2.4
96.95919	1.6
97.02854	1.2
99.00782	0.7
101.02361	1.1
107.01302	9.9
108.02126	0.3
109.02870	1.1
109.99995	0.4
111.00786	2.7
113.02362	1.8
121.02869	0.8
123.00806	12.5
123.04447	0.6
124.01582	1.2
125.02372	52.5
126.02740	1.7
127.00285	1.1
130.74611	0.3
131.16235	0.3
134.03661	0.4
135.63828	0.3
136.01604	11.0
136.98741	1.3
137.02426	2.0
139.00316	3.9
139.03951	1.5
140.01108	3.4
141.01859	1.7
145.02875	0.5
149.02371	0.6
151.00319	8.5
151.03958	9.0
152.04204	0.4
153.01848	0.7
160.05212	0.4
161.02422	0.6
161.04536	0.5
161.05899	0.5
163.03944	0.8
165.01880	0.7
166.99832	0.7
167.03423	0.4
168.00612	4.8
169.01385	66.0
170.01738	2.6
173.02365	0.3
173.06064	0.3
175.03989	0.8
176.04747	0.7
177.01799	0.4
177.05479	0.6
179.03433	0.8
183.02966	4.7
187.03958	0.4
189.05505	0.4
190.06194	0.3
191.07121	0.7
193.01373	0.6
195.02959	0.3
211.02461	2.3
223.02460	0.6
229.01419	0.7
241.03610	1.3
253.03598	0.6
270.98947	0.6
271.04599	0.7
279.06781	0.5
289.07242	0.4
297.06253	0.6
297.46057	0.4
298.98386	0.8
299.99301	0.4
300.03574	0.3
300.99924	1.1
312.09949	0.3
313.05728	16.4
313.10925	1.1
314.06073	0.8
327.07291	1.4
327.12418	2.0
332.22995	0.3
342.11273	0.3
343.11914	1.0
357.13544	0.7
510.18518	0.5
519.19019	0.5
598.65747	0.3
653.19092	0.5
671.20001	100.0
672.20306	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3876
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
57.03340	1.2
59.01267	1.7
61.98715	1.1
67.01803	0.2
69.03323	0.3
69.36565	0.4
69.36969	1.3
71.01274	1.6
71.04897	0.3
73.02824	0.4
78.95803	0.3
83.01286	0.3
83.04943	0.2
85.02853	1.2
87.00795	0.5
88.98697	0.2
89.02357	0.5
95.01305	0.4
96.95930	1.4
96.96838	0.4
98.20670	0.3
99.04424	0.8
101.02350	0.8
107.01296	0.5
109.02819	0.3
111.04452	0.3
111.08062	0.5
113.02380	0.6
113.06011	0.7
116.92823	0.3
119.03436	0.4
121.02929	0.2
121.06554	0.4
123.00814	1.5
123.04439	0.6
124.36890	0.2
125.02380	4.3
125.09640	0.3
126.02654	0.3
135.04404	0.2
135.08099	0.7
136.05244	0.6
137.02379	0.5
137.06027	0.7
137.09659	0.2
139.00291	0.4
140.01132	0.2
141.01874	0.3
141.09203	0.2
145.02922	0.4
149.02412	0.2
149.06035	6.1
150.06813	49.4
151.00322	0.7
151.03954	0.3
151.07118	2.1
151.11278	0.2
153.09164	0.6
155.10748	0.5
157.08681	0.9
161.02419	0.2
161.09657	1.1
162.06795	0.6
163.07605	10.4
164.08388	6.4
165.01935	0.4
165.08777	0.3
168.00682	0.3
169.01387	6.3
169.12341	0.5
171.10249	0.5
175.03987	0.2
176.08377	1.9
177.09129	0.9
178.09981	4.1
179.10748	15.4
180.11079	1.0
193.08676	0.6
209.11986	0.3
211.02473	0.7
213.45486	0.2
229.01685	0.2
241.14465	0.4
247.89281	0.2
255.88731	0.2
263.20197	0.6
269.17874	0.2
271.04611	0.2
272.04965	0.2
278.49652	0.2
279.23425	0.5
281.21225	0.9
283.19269	0.6
313.05676	1.5
325.23947	2.0
326.24182	0.2
327.21829	6.4
328.22314	0.7
337.24081	0.4
339.25473	0.4
355.25055	1.3
402.55411	0.2
415.28644	0.3
428.29413	1.2
429.29916	0.2
430.30847	0.4
443.31650	1.2
444.32413	0.8
445.33432	0.5
446.30490	9.8
447.30789	1.6
460.31955	1.4
461.32849	13.8
462.33188	2.3
470.30652	0.3
471.31311	0.3
488.31461	2.2
489.32260	3.4
490.32965	0.5
506.32712	3.5
507.33380	32.9
508.33731	4.8
517.30463	1.4
518.30536	0.4
549.34674	0.5
617.23871	0.2
651.38324	0.2
669.39001	100.0
670.39417	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	669.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92606	0.3
57.03342	0.6
58.00463	0.4
58.85255	0.3
59.00993	0.5
59.01270	5.6
61.98728	1.7
69.03349	2.7
71.01267	4.0
71.04910	0.8
73.02847	1.1
78.95809	0.5
80.02573	1.0
81.03345	1.3
83.01286	0.7
83.04915	3.3
84.02069	0.5
85.02861	0.8
87.00774	0.7
89.02343	2.9
89.65784	0.3
91.61028	0.4
93.03321	0.4
95.04924	0.8
96.58132	0.3
96.95921	0.5
97.02820	0.5
97.06474	0.3
98.20659	0.6
101.02348	3.3
102.59980	0.3
108.05719	0.4
109.06483	1.0
113.02378	2.1
119.03447	0.7
125.02372	1.5
125.06029	0.5
125.09711	0.4
135.04491	0.4
135.08086	0.6
137.02319	0.7
143.03482	0.4
145.02867	0.5
145.04959	0.7
149.09669	0.8
161.04524	1.7
161.13318	0.6
163.11238	3.3
165.01874	1.1
165.12827	2.0
167.10745	3.2
169.01340	2.2
171.10255	1.9
171.11476	0.3
177.12793	0.7
179.05586	0.6
179.10747	1.1
179.14386	2.9
181.12289	0.5
181.49863	0.4
191.10757	0.6
195.13890	9.4
196.14304	0.5
205.10541	0.6
205.12352	10.2
206.12697	0.8
209.11826	80.6
210.12172	3.7
223.13408	100.0
224.13745	5.7
227.12909	14.3
228.13242	1.1
229.52371	0.3
235.08253	4.2
253.09334	10.0
254.09886	0.4
261.15079	2.3
346.44312	0.4
353.94321	0.4
397.23776	0.4
415.25259	0.6
441.21506	0.9
445.21030	0.9
459.22491	11.6
460.22772	1.4
481.22443	0.9
531.39832	0.4
611.93665	0.4
633.23419	0.8
633.33191	0.9
651.33948	1.3
669.36487	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	667.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97204	0.3
55.01762	2.0
55.10469	0.2
57.03340	1.6
58.00488	1.8
59.01265	31.5
60.01580	0.4
61.98712	0.5
68.99696	0.4
69.29025	0.3
71.01270	30.9
71.14241	0.6
72.01596	0.6
72.99203	3.1
73.02834	7.2
73.99531	0.3
75.00761	0.4
83.01276	4.3
83.02064	0.3
84.02043	0.3
85.02847	12.7
86.00025	0.3
87.00766	2.5
89.02340	14.3
95.01285	3.1
96.95920	3.5
97.02839	0.7
99.00784	3.3
101.02345	22.1
101.35963	0.3
102.02626	0.3
107.01297	0.3
109.02858	0.3
111.00789	2.3
113.02360	11.9
117.03365	0.5
119.03426	5.6
119.04861	0.4
119.73644	0.2
123.00797	0.4
125.02363	2.2
129.01877	0.6
131.03444	0.7
139.00325	0.4
141.01872	0.5
143.03413	1.0
145.02885	1.3
149.04564	0.4
151.03931	0.4
159.02963	1.8
161.02446	0.4
161.04510	2.6
161.05714	0.4
168.00594	0.5
169.01405	2.0
173.03218	0.3
177.01866	0.3
179.05626	1.4
247.24294	0.3
268.73840	0.3
301.00031	0.6
325.27499	0.5
343.28555	0.9
376.19266	0.3
487.33002	1.6
505.33978	11.9
506.34457	1.2
601.67413	0.3
631.33801	0.5
667.39258	100.0
668.39618	19.0
668.51471	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23032	0.3
55.01773	3.1
57.03338	2.1
58.00478	1.8
59.01263	28.3
61.98702	1.1
67.01768	0.4
68.99692	0.5
69.03355	0.6
69.42484	0.6
69.42883	2.9
71.01270	33.3
72.01606	0.5
72.99200	2.4
73.02837	9.1
75.00757	0.6
78.95819	0.6
82.90695	0.3
83.01279	5.8
83.67363	0.3
85.02842	14.7
86.00003	0.4
87.00795	2.6
88.98683	0.6
89.02338	12.6
93.07007	0.8
95.01288	3.0
96.95915	19.0
97.02876	0.7
99.00787	4.0
99.04409	0.4
99.62194	0.3
101.02348	22.8
101.26455	0.3
102.02708	0.6
107.01339	0.5
109.02837	0.7
111.00785	3.8
113.02352	10.8
114.02679	0.4
117.03419	0.5
119.03427	4.4
121.02846	0.5
122.03600	0.4
123.00823	0.9
125.02362	4.4
129.01869	1.1
131.03468	0.7
133.02858	1.1
135.04445	1.4
137.02348	1.0
139.00310	0.4
141.01898	0.6
143.03456	0.8
143.10748	0.8
145.02867	1.0
149.02255	0.4
150.03131	0.4
151.00247	0.6
151.03868	0.8
159.02969	1.3
161.02400	3.6
161.04483	2.9
161.05884	0.6
163.03972	0.6
165.05481	0.5
168.00612	0.4
169.01393	3.6
170.01688	0.3
175.04092	0.4
177.01865	0.4
179.03490	0.9
179.05557	1.3
188.36591	0.3
191.03482	0.4
195.06602	0.5
211.02591	0.4
211.16988	0.4
213.18561	1.2
225.98714	0.4
241.18100	0.6
245.00993	0.4
247.02579	0.4
269.04666	0.4
269.98093	0.9
270.98950	0.5
285.00427	1.1
287.05402	0.4
289.07339	0.7
297.97617	3.6
298.98288	0.9
299.99088	0.5
300.99945	1.0
302.00229	0.5
312.99979	6.3
313.05652	0.5
314.00568	1.7
315.01334	0.5
323.07764	5.1
324.08163	0.5
328.02319	6.3
329.02954	1.8
339.25632	0.5
343.04645	8.5
343.28625	0.8
344.04977	1.1
354.73215	0.4
357.26654	2.0
375.24063	0.7
387.09631	0.7
388.02411	0.4
475.33441	0.4
487.33109	0.9
505.33856	14.1
505.41226	0.7
506.34219	1.7
569.26428	0.7
585.23761	0.4
667.15497	2.4
667.39276	100.0
668.39636	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	667.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62700	73.6
61.89803	83.2
71.59370	91.3
71.59740	94.8
79.51561	100.0
97.10658	84.0
104.00469	78.5
115.61105	93.8
189.15912	99.3
391.82834	98.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	1.0
61.98723	0.7
71.01293	1.0
78.54666	0.3
78.95818	0.4
80.60706	0.3
83.01283	0.3
95.01305	0.7
96.95927	3.1
97.02843	0.4
101.02373	0.4
107.01313	0.6
109.02853	0.8
117.03397	0.4
119.04944	0.8
123.00830	1.0
123.04449	0.4
125.02373	3.4
126.02750	0.4
130.00508	0.4
132.02112	1.7
134.03677	1.6
137.02373	1.0
139.00356	0.8
142.07433	0.3
145.02934	2.2
149.06027	0.4
160.01610	8.3
161.02315	0.5
163.04037	0.4
165.01959	0.4
168.00500	0.7
169.01367	3.1
175.03973	6.8
176.04343	0.5
177.01784	0.4
185.99467	0.4
186.11359	0.3
193.05080	1.3
197.99648	1.2
213.99133	0.4
227.00017	0.6
229.01518	0.6
241.98671	0.6
242.99469	0.8
254.99246	1.7
256.00171	0.5
257.00906	1.4
258.01712	0.8
269.98111	21.6
270.84863	0.4
270.98898	23.0
271.04788	0.8
271.99301	1.7
282.98819	0.6
283.99808	2.0
285.00491	13.8
286.01059	3.1
289.07227	0.7
297.97629	38.3
298.98392	50.3
299.99020	8.9
300.99930	5.4
307.08112	0.7
311.99170	0.5
312.99994	68.0
314.00748	79.8
315.01199	7.1
323.07916	0.5
325.64383	0.4
327.01727	0.6
328.02341	23.7
329.03107	100.0
330.03473	8.4
343.04660	1.5
369.13620	0.6
371.04047	0.5
435.11105	0.4
438.93555	0.4
560.76410	0.4
635.10120	0.9
637.09454	0.5
652.11261	1.3
667.13214	81.5
668.13550	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	665.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.5
59.01260	1.3
61.23109	0.7
63.40467	0.8
65.00210	1.4
67.01779	1.7
68.99699	1.5
71.01266	2.6
73.02795	0.9
77.59146	0.8
79.01759	1.0
83.01297	4.3
84.17615	0.7
85.02843	2.0
86.07151	0.7
87.00790	1.0
89.03908	0.8
91.01752	1.2
93.03345	0.8
95.01289	2.6
98.20328	4.0
99.00782	1.6
99.88899	0.8
101.03889	1.0
105.03373	1.6
107.01283	2.1
107.04955	1.0
109.02847	2.7
111.00788	14.6
113.02371	2.2
117.03378	4.6
119.04919	2.3
121.02859	1.9
123.00829	5.3
123.04457	1.3
125.02367	12.4
127.00323	2.1
129.03377	1.2
132.02051	1.1
133.02904	4.7
135.04437	2.3
137.02397	6.6
139.00305	21.6
140.00760	0.8
145.02896	6.4
146.03506	0.7
147.00790	1.2
147.04457	4.9
148.01561	1.2
149.02393	5.1
151.00287	2.0
153.01871	0.9
154.99838	4.5
157.01396	1.2
159.00864	1.5
159.04478	1.4
160.01578	1.5
161.02396	13.6
161.57350	0.8
162.03082	1.0
163.00320	12.1
163.04004	7.1
164.00955	2.6
164.98308	0.9
165.01857	5.3
165.05521	2.5
166.99786	2.9
168.00505	1.8
169.01379	14.4
171.00858	1.0
173.02408	7.3
174.02957	1.1
175.00319	1.6
175.03932	5.8
175.05241	0.9
176.01100	1.6
176.04254	0.9
177.01866	10.2
178.99786	1.4
179.03459	2.1
182.99323	26.2
183.99678	1.3
185.02399	4.0
187.00322	3.5
187.03955	2.1
188.01088	1.1
189.01910	14.4
190.02609	3.2
190.99832	3.1
191.03485	18.9
192.00581	1.1
192.03838	1.5
193.01410	3.7
193.98505	0.8
194.01840	0.9
194.99370	4.2
197.00940	1.0
199.00383	1.8
201.00340	1.3
201.01944	7.0
202.02654	1.0
202.99876	2.5
203.03474	3.2
204.00626	2.0
205.01424	10.9
206.02086	1.5
206.99373	1.9
207.02953	3.4
209.00902	6.9
209.04553	0.8
209.22028	0.9
213.01961	1.5
214.99829	4.6
215.03545	1.0
216.00589	3.0
216.99446	1.2
217.01439	18.1
217.04886	0.9
218.01939	2.0
218.99419	1.9
219.03011	6.7
221.00877	5.0
226.99994	1.0
227.03423	1.4
228.00543	1.2
228.04027	0.9
229.01410	6.2
230.02043	1.4
230.99319	3.6
231.02966	3.4
231.99962	1.3
232.03397	1.0
233.00934	7.6
234.01413	1.3
235.02495	7.8
237.00343	2.0
237.04164	2.2
242.99376	3.9
243.03096	1.4
243.99992	1.7
245.00949	15.6
246.01601	2.7
247.02516	5.1
248.03351	1.0
249.04118	4.2
251.01874	0.9
255.02904	1.2
257.00949	3.8
258.01724	2.1
258.98849	2.6
259.02625	1.0
259.99567	2.9
261.00461	17.9
262.00882	2.4
263.02036	13.7
269.04639	1.0
270.45956	0.8
270.98926	6.2
271.01569	1.2
271.99490	1.1
273.00510	8.9
274.01300	6.3
275.02017	17.9
276.02344	1.9
277.03622	1.2
278.00528	1.6
279.01569	1.7
283.99643	2.3
286.98486	9.2
287.01816	1.4
287.98929	1.1
288.99966	20.1
290.00616	3.0
291.01526	5.2
298.98453	6.5
299.99142	9.2
300.99969	100.0
302.00327	11.6
303.01263	1.1
304.99377	1.2
307.01208	6.3
313.05801	1.4
314.97964	5.5
315.98502	3.0
316.99451	70.0
317.99829	6.4
332.98956	11.1
333.99237	2.1
405.04636	5.0
407.06244	3.2
409.03674	1.1
433.04120	2.3
435.05765	1.6
445.04120	1.3
451.05243	3.4
453.06735	1.3
461.03812	1.9
463.05292	31.5
464.05490	5.7
467.05054	1.1
469.06369	9.8
470.06241	2.2
478.03833	1.0
479.04761	3.0
481.06378	3.5
483.07968	1.0
495.04166	1.1
497.05682	3.1
509.05710	2.0
521.06287	1.2
523.07324	1.9
549.08966	2.5
551.07129	4.9
559.07336	1.2
575.06830	7.9
576.07666	4.9
577.08594	6.6
578.08087	0.9
591.05908	1.2
593.07837	1.9
601.04803	1.6
603.06366	4.4
613.04785	3.5
614.05273	1.4
619.05914	7.1
620.06580	1.1
621.07239	8.5
622.08026	1.3
629.04425	1.9
631.06250	1.7
632.06689	7.3
633.06799	1.9
647.05585	9.3
648.05450	2.0
665.06842	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89783	0.5
55.24063	0.5
59.01265	100.0
60.01605	0.8
66.09677	0.5
68.81615	0.5
71.57127	0.8
78.95802	1.6
109.02866	2.4
111.04457	1.2
123.04430	0.7
149.06015	0.5
152.99512	0.5
163.07582	0.8
167.07072	0.9
175.07596	1.3
179.07092	0.9
185.09729	0.7
199.17020	76.7
200.17369	5.6
202.06329	0.8
203.10751	0.8
223.30884	0.5
231.10269	1.0
233.11804	4.8
234.12077	0.5
236.08366	0.6
239.10782	1.1
241.12262	0.7
250.10095	0.5
251.14845	0.5
255.23747	0.5
263.10477	0.5
265.12399	0.9
266.09570	0.8
267.13937	0.7
277.12421	4.4
278.12845	0.6
279.13895	0.9
289.07086	0.5
289.12476	0.9
292.10995	1.3
295.13464	7.2
296.13901	0.8
307.13489	9.0
308.13852	1.1
313.14438	1.5
325.14612	5.5
326.14944	0.7
343.15497	3.1
355.15634	1.2
385.16660	11.8
386.17001	1.8
403.17773	3.8
495.31192	1.2
507.31238	0.8
571.24567	0.6
603.35492	2.2
663.37836	0.9
672.22888	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.0
59.01269	1.1
60.99172	0.4
67.01786	3.9
69.03343	1.0
69.52613	1.1
69.53040	1.0
71.01275	3.0
76.97694	0.3
81.03366	0.9
83.04922	1.0
84.49139	0.3
85.02840	1.8
87.00772	1.2
93.03361	24.8
93.14000	0.3
94.03684	0.7
95.01320	0.4
99.04513	0.3
109.02872	0.8
111.00787	0.9
111.04437	4.4
113.02387	0.3
119.04950	14.2
120.05300	0.6
125.02363	0.5
127.03918	0.7
137.02383	3.5
145.02917	0.6
155.03435	3.5
156.19283	0.3
161.02350	0.4
163.03963	16.4
164.04323	0.6
169.01401	0.3
173.04517	100.0
174.04865	3.1
191.05588	25.9
192.05927	0.8
275.02194	0.3
300.99973	0.3
326.39264	0.3
337.09369	47.1
338.09732	3.7
355.66351	0.3
461.50629	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00991	2.0
59.01269	26.7
59.35305	1.6
61.98716	17.0
69.03322	2.3
69.42990	5.0
69.43405	8.8
71.01272	23.3
72.99195	2.5
73.02837	2.9
76.93644	1.6
80.96435	1.8
81.03377	1.7
83.01270	4.1
83.04922	5.0
85.02853	6.1
87.00771	3.9
88.98722	2.7
89.02335	13.6
95.01287	2.5
96.95938	5.6
97.02824	2.0
99.00759	1.8
101.02342	14.8
101.52325	1.5
103.87305	1.4
107.01268	2.8
109.02851	1.7
111.08050	2.8
113.02369	10.8
119.03429	7.1
121.06527	3.4
122.03647	2.0
123.00795	4.7
125.02383	15.4
126.58379	1.9
127.03944	4.7
130.44849	1.6
131.03404	1.7
135.04453	6.6
137.02391	2.7
137.06017	4.7
139.00331	1.6
139.07571	13.0
140.01035	1.8
143.03384	2.0
145.02928	4.0
151.00323	2.6
151.11258	3.0
161.04532	1.8
165.05574	6.5
168.00653	2.7
169.01369	15.4
169.12268	15.1
171.10248	3.9
176.53671	1.7
179.05589	2.7
185.11819	3.1
197.11853	7.4
199.13376	1.9
209.11826	22.4
210.12198	9.6
211.02548	5.8
211.13530	15.5
212.13667	11.0
213.11421	5.0
213.13972	3.8
225.11360	2.4
227.12935	6.3
229.82095	1.7
253.09317	3.1
264.36475	2.0
271.04492	8.2
295.22903	3.3
313.00052	2.3
313.05670	3.4
313.23975	14.8
325.27567	2.5
331.06863	2.6
333.24463	2.1
369.26620	4.7
391.32465	3.3
409.33188	3.3
417.30124	3.8
435.31506	5.1
453.32263	7.5
475.29010	11.8
488.07321	1.9
531.31885	48.5
532.32043	9.1
597.36896	6.0
615.37622	44.6
616.38135	7.7
623.34155	4.4
624.34045	2.0
641.35760	8.2
659.36615	100.0
660.37183	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	659.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82904	0.4
55.01772	0.8
57.03327	0.7
59.01269	10.2
61.98722	5.0
67.01762	0.7
71.01273	11.0
71.04877	0.5
71.92601	0.4
72.99194	1.9
73.02837	1.9
75.00765	0.6
78.95818	1.0
80.02565	1.4
81.03340	0.6
83.01274	1.5
83.04918	9.0
84.02042	0.8
84.05257	0.6
85.02837	3.0
85.99992	0.6
87.00774	1.6
88.98693	0.7
89.02329	4.9
95.01327	0.7
95.04913	0.5
95.07295	0.5
96.95908	4.9
97.02872	0.7
98.19781	1.2
99.00784	0.6
99.04387	0.6
101.02346	6.6
108.96472	0.5
109.02877	0.9
109.06514	0.7
110.26353	0.5
111.08053	1.7
113.02364	3.9
115.31554	0.4
119.03414	1.4
121.06495	2.3
122.03643	1.1
123.00799	0.9
123.04449	1.0
125.02369	4.1
125.06030	0.7
127.03941	8.2
135.04437	0.5
137.02383	1.0
137.06000	3.1
139.07584	9.5
148.52377	0.5
151.03969	0.8
156.06264	0.5
157.12178	0.5
161.04526	1.3
163.11234	2.5
165.05521	6.0
165.12793	2.0
169.01379	1.8
169.12305	2.9
179.05656	0.5
183.13876	6.3
184.14243	0.7
185.11842	1.8
191.10727	1.3
195.13885	5.3
197.11858	0.8
209.11830	100.0
210.12183	8.6
211.13480	8.8
212.13713	4.8
213.14980	46.5
214.15384	2.5
223.34477	0.5
227.12900	11.8
228.13301	1.4
235.08255	2.2
253.09335	9.7
254.58887	0.5
289.07257	1.1
289.25522	0.7
295.22919	2.9
307.26630	0.7
311.22351	0.8
313.23923	12.9
314.24374	1.0
325.27588	1.8
341.11481	0.5
351.25540	1.7
369.26575	6.8
370.27008	0.5
373.31171	0.9
387.27515	1.0
391.32224	3.0
405.26617	0.9
409.33368	2.2
417.30328	3.0
423.27945	0.6
434.40933	0.5
435.31183	5.6
445.20923	1.6
453.32266	9.8
454.32462	0.6
461.29303	1.1
475.29285	9.2
476.29535	1.2
479.30594	0.9
480.30585	0.6
497.31363	5.8
513.30939	0.7
531.31909	32.0
532.32294	3.6
549.32867	1.1
571.38934	0.6
597.36249	2.6
615.37634	27.0
616.38220	3.5
623.34363	1.6
627.24426	0.6
638.30743	0.5
641.35608	4.3
642.36584	0.9
659.36670	50.7
660.37158	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	659.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.3
57.03348	0.2
57.64121	0.2
59.01270	2.2
59.13430	0.2
61.98709	0.6
62.93399	0.2
67.01777	1.0
68.99720	0.4
69.03341	0.5
69.45542	1.5
71.01274	1.8
72.99199	0.6
73.02835	0.7
75.99944	0.2
79.01777	1.1
81.03331	0.2
83.01281	1.0
83.04910	0.3
85.02849	1.0
87.00778	0.2
89.02348	0.4
93.03342	0.2
95.01292	2.2
96.95930	0.3
96.99203	0.4
97.02855	0.8
98.19817	0.4
99.00764	0.6
101.02349	1.5
107.01300	4.3
109.02865	0.9
110.00049	0.3
111.00798	2.6
113.02356	0.7
115.21725	0.2
123.00803	16.2
123.04420	0.4
124.01535	0.8
125.02368	15.9
126.02686	0.4
127.00287	0.8
127.03947	0.2
135.04451	0.2
136.98717	1.5
137.02396	0.6
139.00311	4.3
140.01106	3.6
141.01888	2.2
145.02927	0.4
149.02374	0.3
151.00313	9.4
151.03900	0.4
152.00783	0.2
153.01874	1.3
154.99876	0.2
161.02406	0.4
163.03944	0.7
165.01820	0.3
168.00616	2.5
169.01384	18.9
169.12299	0.5
170.01677	0.8
171.10231	0.4
177.01778	0.2
179.03473	0.3
181.05028	0.5
185.11760	0.4
197.11865	0.5
203.07138	0.4
209.11749	1.5
211.02466	0.6
211.13490	0.3
213.11345	0.2
223.02554	0.3
227.13046	0.4
253.09512	0.4
271.04617	0.4
289.07263	0.4
313.05719	1.2
369.13312	0.3
604.70660	0.2
659.36615	100.0
660.36993	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	659.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86475	0.1
55.01762	0.2
56.87008	0.2
57.03328	0.4
59.01270	1.8
60.31593	0.2
61.98703	0.7
62.90923	0.2
65.00199	0.3
66.33902	0.2
67.01762	0.7
68.99693	0.4
69.03324	0.6
71.01273	1.8
72.99197	0.5
73.02814	0.8
75.93607	0.2
77.60716	0.2
79.01770	1.2
81.03366	0.3
81.18946	0.2
83.01283	1.0
85.02848	1.2
86.00012	0.2
86.67827	0.2
87.00775	0.4
89.02317	0.4
93.03349	0.3
95.01292	1.9
96.95901	0.5
97.02855	0.8
99.00814	0.3
101.02341	1.5
107.00634	0.3
107.01306	3.7
109.02841	0.6
110.00004	0.3
110.23466	0.2
111.00790	2.3
113.02341	0.6
121.02837	0.2
122.03619	0.2
123.00803	14.8
123.04445	0.5
124.01642	1.1
125.02368	14.0
126.02682	0.5
127.00286	0.6
127.03938	0.2
135.04456	0.3
136.98766	1.4
137.02362	0.6
139.00304	4.1
140.01097	3.6
141.01888	2.1
145.02879	0.4
148.32838	0.2
149.02342	0.2
151.00314	9.2
151.03911	0.5
153.01891	1.1
154.99768	0.2
161.02371	0.3
161.06140	0.2
161.32841	0.2
163.03986	0.3
165.01897	1.1
168.00600	2.7
169.01382	17.2
170.01697	0.7
174.83174	0.2
179.03418	0.4
181.05058	0.4
185.11748	0.5
191.03503	0.3
192.20670	0.2
197.11710	0.3
203.03596	0.2
209.11803	1.3
210.12146	0.2
211.02510	0.4
211.13356	0.2
215.07278	0.2
223.02481	0.2
227.12810	0.2
253.03397	0.3
260.92273	0.2
289.07181	0.5
313.05652	1.7
387.14102	0.2
430.23041	0.2
497.37860	0.2
615.37585	0.2
659.36615	100.0
660.37018	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	659.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.6
57.03326	0.7
59.01265	5.5
61.98716	6.2
63.61876	0.5
67.01775	0.8
68.99715	0.7
69.03357	1.1
69.26984	0.5
71.01277	6.1
72.99202	0.8
73.02844	1.2
75.43784	0.5
78.95807	1.1
79.01801	0.7
83.01302	1.5
83.04924	3.1
85.02843	2.3
87.00803	0.9
88.98708	1.2
89.02352	2.5
90.32655	0.5
95.01315	2.2
96.95913	2.0
97.02802	0.6
101.02345	3.6
107.01319	4.5
109.02905	1.3
111.00809	2.0
111.08096	0.7
113.02373	1.7
119.04954	0.8
123.00800	15.9
123.01668	1.0
123.04433	0.9
124.01608	0.9
124.95397	0.6
125.02377	18.5
126.02712	0.6
127.00295	0.7
127.03945	4.8
136.98788	1.5
137.02383	1.5
139.00302	3.3
139.07561	3.0
140.01088	3.7
141.01862	2.0
143.71674	0.5
145.02921	0.8
145.66953	0.6
151.00308	10.0
151.03986	1.0
151.11224	1.3
152.00722	0.6
153.01921	1.0
161.02388	0.8
161.04559	0.5
163.03960	0.9
165.01785	0.7
165.05524	2.3
168.00594	2.3
169.01389	19.3
169.12280	7.2
170.12683	0.7
197.11716	0.9
197.66988	0.6
209.11813	11.5
210.12195	3.2
211.02510	0.7
211.13499	7.4
212.13698	3.7
213.11513	1.0
213.14058	1.5
225.14980	1.0
227.12930	1.3
253.09421	1.0
276.40656	0.5
295.22623	0.8
313.05728	1.7
313.23792	3.3
325.27722	0.8
369.26593	3.3
391.32422	0.8
409.33279	1.0
435.31372	2.1
446.70920	0.6
453.32278	4.7
461.29086	0.6
497.31317	5.3
531.31726	4.4
615.37640	3.7
616.37653	1.0
657.28973	0.6
659.36670	100.0
660.36969	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	659.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.6
57.03344	1.8
58.00505	0.5
59.01267	8.9
61.29570	0.4
61.98717	4.1
69.03343	0.4
71.01270	8.2
71.04919	0.5
71.61494	0.7
72.99203	0.7
73.02847	1.8
74.74655	0.4
78.95798	0.8
80.02588	1.0
81.03362	1.6
82.29818	0.4
83.01298	1.3
83.04913	7.5
84.02074	0.7
85.02847	2.1
87.00767	1.3
88.98713	1.4
89.02349	5.2
90.73920	0.4
91.34052	0.4
95.01303	1.0
95.04924	1.4
96.75100	0.4
96.95898	1.3
97.02837	0.5
97.06487	6.2
98.56103	0.5
99.00792	0.9
101.02343	6.6
109.02845	0.5
113.02361	3.1
119.03410	1.3
121.02894	0.5
123.00801	1.1
123.04437	0.4
125.02374	3.6
125.09658	0.8
127.03929	2.9
131.43581	0.5
133.10205	0.6
135.04471	1.0
135.08089	0.8
137.02394	0.9
139.07602	1.9
141.01878	0.5
143.03404	0.9
145.02876	0.7
145.04996	0.6
149.09656	0.5
151.11232	19.2
152.11568	0.8
161.04559	2.2
163.11234	3.7
165.05409	2.2
165.12823	2.1
167.03238	0.5
169.01353	3.0
169.12299	73.8
170.12637	3.3
171.10239	0.5
179.05612	0.8
181.12305	0.8
191.10756	1.1
193.12158	0.5
195.10251	2.9
209.11827	76.3
210.12141	4.8
211.13437	2.1
212.13766	0.7
213.11302	11.7
227.12901	7.1
228.13142	0.7
235.08205	2.0
245.91602	0.5
253.09306	4.7
272.07394	0.4
313.23935	2.9
336.15997	0.6
369.26581	2.9
431.19250	2.4
435.30930	0.6
449.20392	6.1
453.32236	2.8
479.30078	0.7
495.29831	0.5
497.31378	3.4
498.91125	0.6
531.31726	2.0
570.88263	0.5
615.37378	2.2
641.31921	2.9
659.32971	100.0
660.33228	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	659.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56202	0.5
59.01255	1.8
61.98719	1.3
63.27190	0.5
66.00876	0.8
67.01795	0.6
69.03356	2.5
71.01266	3.3
71.14986	1.2
81.03357	1.1
83.01286	1.1
85.02860	1.6
87.00764	0.8
88.98692	1.4
89.02357	2.0
93.03384	0.7
95.01312	1.6
96.95915	2.3
97.02867	1.6
99.00788	1.1
101.02356	1.6
107.01299	5.2
108.98006	0.5
109.02856	1.3
111.00805	2.1
113.02354	1.4
121.02892	0.8
123.00799	4.7
124.01602	1.6
125.02372	79.1
126.02706	2.8
127.00363	0.7
134.03650	3.2
135.04456	0.9
136.98759	1.0
137.02408	1.8
139.00311	2.7
140.01120	1.4
141.01862	0.6
143.03397	0.9
151.00311	2.2
151.03929	1.3
160.01672	1.8
161.02386	1.6
161.04475	0.6
163.00302	0.7
163.03978	0.8
165.01903	1.7
166.99850	2.6
167.03468	1.1
168.00633	3.7
169.01395	100.0
170.01703	4.2
175.02574	0.8
175.03975	2.1
177.01884	1.4
179.05644	1.0
181.01419	1.2
193.01443	2.0
193.05048	0.9
195.02753	0.7
203.03519	1.4
207.03001	0.9
211.02463	8.5
217.04953	0.7
223.02565	1.0
253.03415	0.7
254.99315	0.6
271.04669	3.7
275.02081	0.6
285.03955	0.6
286.04358	0.6
287.01880	0.7
289.07150	1.5
295.04639	6.7
301.00082	2.6
302.00568	0.7
313.05792	3.9
408.70667	0.5
423.05600	4.8
458.03299	0.9
465.06787	8.0
466.07529	0.9
507.11609	3.4
596.15961	1.1
641.09741	0.7
659.12634	52.7
660.12927	10.1
663.69348	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01283	0.3
57.03329	1.0
59.01261	2.8
60.07595	0.4
61.98721	2.1
64.49599	0.4
69.03343	0.4
71.01271	2.1
71.61407	0.3
71.61801	0.5
73.64719	0.4
83.01313	0.5
83.04912	0.6
85.02833	1.7
87.00779	0.5
88.98751	0.8
89.02358	1.0
89.24849	0.4
95.01281	0.7
95.28384	0.4
96.95909	1.7
97.11588	0.4
101.02336	1.6
107.01332	1.0
109.02865	1.3
113.02349	0.7
121.06495	1.0
123.00809	2.9
123.04441	2.0
125.02365	5.5
126.02702	0.6
135.04465	3.2
135.08136	0.5
136.05231	32.7
137.02368	1.4
137.05664	1.3
137.09627	0.5
139.00301	1.7
140.01088	0.6
141.01866	0.7
145.02972	0.5
147.08078	0.6
149.02386	0.7
149.04381	0.4
149.04767	0.6
149.06029	9.1
150.06828	8.2
151.00285	1.6
151.03944	1.0
151.07253	0.4
161.02423	0.5
162.06792	2.1
163.03978	0.5
163.07504	0.7
164.04773	0.5
164.08386	3.3
165.02022	0.5
165.09160	22.2
166.09453	0.9
168.00607	0.8
169.01381	6.2
171.10274	0.5
172.66635	0.5
177.01903	1.0
179.07089	1.0
189.01884	0.7
191.03409	0.5
207.10321	0.5
209.11853	7.8
211.02403	1.1
211.13412	5.6
217.01532	0.4
227.12839	1.5
231.02977	0.8
253.09398	0.6
265.21826	0.8
271.04593	1.0
280.84860	0.4
289.07172	1.4
300.99997	0.9
312.99927	0.8
315.19763	0.6
327.25433	0.9
328.02332	0.5
329.23465	7.1
330.23813	0.8
332.90274	0.5
333.20700	1.5
341.06448	1.1
416.29379	1.0
431.31747	1.4
432.32208	0.7
434.30423	3.9
435.31235	0.7
448.31912	1.0
449.32840	15.7
450.32904	2.3
465.12076	0.7
476.31607	0.8
477.32315	4.2
478.32501	0.5
494.32553	2.1
495.33325	34.7
496.33698	4.8
533.14581	1.3
615.09082	0.6
639.33221	0.4
657.39001	100.0
658.39343	21.8
660.25610	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.7
59.01266	1.5
59.93815	0.2
60.15624	0.2
65.00198	0.2
67.01762	1.3
68.47588	0.2
68.99690	0.6
69.03329	0.7
71.01279	2.1
72.82110	0.2
72.99181	0.8
74.40163	0.2
79.01780	1.4
81.03323	0.4
83.01272	1.2
85.02839	1.1
87.00763	0.4
95.01280	2.5
96.95909	0.2
97.02840	1.0
99.00774	0.4
101.02341	1.5
107.01300	5.4
109.02886	0.5
110.00009	0.5
111.00781	3.1
112.10465	0.2
113.02334	0.9
123.00803	20.9
124.01707	1.4
125.02367	20.4
125.03157	0.2
125.03352	0.3
126.02697	0.5
127.00289	0.9
132.97113	0.2
135.04425	0.4
136.98749	1.8
137.02322	0.4
139.00305	5.6
140.01085	4.6
141.01865	2.0
151.00311	12.1
151.03824	0.3
152.00606	0.3
153.01895	1.4
154.99805	0.3
163.03929	0.7
164.46236	0.2
168.00586	3.0
169.01382	20.5
170.01689	0.9
179.03438	0.3
181.05048	0.4
193.05003	0.4
209.04478	0.3
209.11784	0.7
210.12024	0.3
211.13344	0.9
229.22707	0.3
253.03561	0.4
281.63782	0.2
304.76492	0.3
313.05746	1.2
360.28049	0.3
627.34052	3.8
628.34192	0.4
657.35046	100.0
658.35388	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	657.351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84409	0.2
54.32293	0.2
55.01768	0.3
56.90728	0.2
58.00499	0.2
59.01267	3.3
61.98710	0.3
69.03343	0.2
70.02792	0.2
71.01270	2.9
71.04904	0.3
71.45576	0.4
73.02827	0.7
80.02571	1.1
81.03361	1.0
83.01285	0.5
83.04916	4.1
84.02067	0.6
85.02851	0.9
87.00780	0.7
89.02335	1.8
95.01276	0.3
95.04943	0.5
96.95875	0.2
97.06490	0.2
101.02351	2.9
113.02370	1.6
119.03437	0.6
125.02353	0.3
125.05998	0.3
125.09590	0.3
133.04990	0.2
135.08115	0.6
139.99426	0.2
143.03404	0.3
145.05066	0.3
147.11798	0.3
155.10695	0.3
161.04518	1.3
163.11237	3.5
165.12802	2.4
167.14404	0.6
169.01413	0.2
171.10201	1.3
179.05528	0.6
181.12331	0.7
183.13881	6.5
184.14165	0.5
187.06126	0.2
191.10741	1.0
193.12292	1.7
199.13330	0.3
209.11830	100.0
210.12161	6.1
211.13390	99.9
211.17522	0.6
212.13730	6.8
227.12901	15.2
228.13164	0.9
235.08296	3.2
249.15044	0.8
253.09337	10.6
254.09689	0.6
273.75137	0.2
347.19846	0.2
377.27347	0.2
403.24820	0.6
429.21368	0.4
445.20822	1.7
446.20920	0.3
447.22446	4.7
448.22714	0.5
463.22049	0.3
621.33112	0.8
639.33655	1.0
657.34113	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03350	0.2
59.01265	3.6
61.98708	0.3
67.63731	0.2
69.03339	0.4
70.34908	0.4
70.35300	0.4
71.01271	2.8
72.99217	0.2
73.02837	0.7
80.02572	1.2
81.03342	0.9
83.01302	0.5
83.04921	4.6
84.02058	0.9
85.02853	0.8
87.00777	0.7
89.02344	2.4
95.01295	0.2
95.04908	0.5
97.06517	0.2
101.02357	2.5
109.06501	0.3
111.08142	0.3
113.02367	1.6
115.03903	0.2
119.03416	0.5
125.02363	0.3
125.06014	0.4
125.09554	0.2
133.05014	0.2
135.08090	0.6
137.02469	0.2
143.03406	0.3
145.05006	0.2
149.04367	0.2
161.04507	1.2
163.11232	3.5
165.12802	2.7
167.10721	0.3
167.14363	0.7
171.10254	1.4
179.05542	0.4
181.12317	0.7
183.13878	5.8
184.14249	0.4
191.10735	0.8
193.12288	1.3
199.13368	0.2
209.11829	100.0
210.12170	6.8
210.14198	0.3
211.13390	96.3
212.13727	6.7
227.12900	14.6
228.13196	0.9
235.08247	3.2
249.14932	0.9
253.09335	9.3
254.09666	0.5
385.24036	0.3
403.25089	0.6
429.21335	0.3
445.20709	1.5
447.22433	3.9
448.22729	0.5
621.33032	0.9
639.33972	0.7
650.65887	0.2
657.33838	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10366	0.2
53.24161	0.2
55.01765	0.3
56.02325	0.2
57.03324	0.3
57.44503	0.3
59.01266	1.8
65.00199	0.4
67.01767	1.1
69.03313	0.4
71.01277	1.9
72.99175	0.3
79.01785	1.3
81.03351	0.3
83.01252	0.9
85.02840	1.1
85.22739	0.2
85.23325	0.3
87.00738	0.2
87.05205	0.2
95.01295	2.0
97.02837	0.9
98.19778	0.5
99.00726	0.3
101.02329	1.6
107.01295	3.5
109.02852	0.4
111.00790	2.3
113.02339	0.5
123.00803	16.1
124.01586	1.1
124.88977	0.3
125.02376	16.6
126.02702	0.5
127.00279	0.9
135.04489	0.3
135.98427	0.3
136.98729	1.4
137.02391	0.3
139.00301	4.0
140.01099	3.2
141.01874	2.2
149.02461	0.4
151.00319	11.1
151.03947	0.4
152.00635	0.3
153.01862	1.0
153.79665	0.3
163.03957	0.7
167.80777	0.2
168.00613	2.9
169.01395	20.6
170.01698	1.0
179.03496	0.5
181.05032	0.3
209.11832	3.3
210.12112	0.3
211.02481	0.5
211.13416	2.3
223.02576	0.3
227.12988	0.4
253.03587	0.5
253.09462	0.4
271.04553	0.5
310.68863	0.3
313.05716	1.4
352.54285	0.3
487.82498	0.3
627.33893	3.5
628.34467	0.6
657.35046	100.0
658.35413	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	657.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47448	0.7
54.33427	0.7
56.64261	0.7
57.03336	11.4
59.01267	7.9
61.98711	1.2
64.71941	0.7
67.01749	1.1
69.03341	1.6
69.70775	1.6
69.71178	2.8
71.01266	6.5
81.03375	5.3
83.01271	8.4
85.02841	4.0
87.00785	0.9
88.98687	1.8
89.02357	4.0
93.03367	7.5
95.01284	1.7
95.04919	2.4
96.95921	3.7
97.02853	5.8
101.02380	3.6
107.01279	2.2
107.04954	1.0
108.02072	1.1
109.02861	23.5
109.06466	0.8
111.00809	3.5
113.02364	3.6
116.92827	0.7
117.03392	1.8
119.03394	1.5
119.04918	1.0
120.05728	1.0
121.02850	2.7
122.03646	1.7
123.00832	3.6
123.04436	11.9
124.01582	1.1
125.02368	97.2
126.02696	3.6
133.02864	1.0
133.10175	1.3
134.03737	1.2
135.04454	2.8
135.11688	5.4
137.02379	43.3
138.02684	1.3
139.00343	1.3
139.03955	2.8
140.01128	1.7
145.02879	19.9
146.03625	3.1
147.04462	1.0
149.02383	11.2
150.03027	1.3
151.00269	2.6
151.03967	11.3
153.01938	0.9
155.93684	0.7
157.06569	1.2
159.04457	8.5
159.11758	1.1
160.05208	0.9
160.48111	0.8
161.02379	5.2
161.06044	9.1
161.09663	6.1
162.03050	1.5
163.03964	2.0
164.01096	4.1
165.01894	7.5
166.99860	0.9
167.03369	2.3
167.04901	0.9
168.00543	2.1
169.01375	13.4
170.01663	1.2
173.06006	2.0
174.03143	1.2
175.03967	2.5
175.07576	2.0
177.01860	2.4
177.05653	0.8
179.03468	5.8
179.04846	0.9
179.10736	27.6
180.11058	0.9
183.04478	2.2
185.06047	6.7
187.03989	7.4
188.04741	3.5
189.01976	0.8
189.05151	0.7
191.03766	1.4
191.05588	18.2
192.05925	1.0
199.04077	0.9
199.07617	1.4
201.05554	2.9
201.35645	0.8
202.06314	2.8
203.07121	15.0
203.10739	3.6
205.01637	0.7
205.05042	8.0
205.08444	0.7
209.06078	1.8
211.02286	1.5
211.04050	1.7
212.04625	1.0
217.05077	1.0
221.08199	1.6
223.09772	38.2
224.10097	2.7
225.05482	1.6
227.03468	1.0
227.07140	4.6
229.05028	1.9
230.02219	1.1
231.03079	1.0
245.08209	19.0
246.08589	1.8
247.06197	1.3
253.05173	8.1
254.05447	1.0
269.20801	0.8
271.06201	67.0
272.06491	4.3
275.02322	1.0
285.04074	1.4
289.07239	100.0
290.07578	7.8
297.97513	1.5
300.99902	4.2
301.14557	4.1
313.00009	2.1
313.05753	2.2
328.02325	2.6
329.03076	1.2
343.04593	2.9
345.13553	3.4
357.13422	5.6
365.17706	1.1
385.15088	13.0
407.18594	3.8
433.11444	5.1
451.12323	3.4
451.17712	5.8
452.17679	0.8
495.16727	34.8
496.17111	5.1
519.18646	2.1
526.20563	0.7
567.24921	1.1
613.23090	1.6
657.10870	1.0
657.21783	22.2
658.22345	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	657.1114
Annotation	Kunzeachromone D
Peak:m/z	Relative Intensity
54.88881	0.8
59.01267	1.0
69.03349	1.3
70.07755	4.1
71.01274	5.7
78.70058	0.8
85.02824	1.1
86.37971	0.9
92.84583	1.0
98.20522	1.6
101.02346	1.0
107.01296	9.5
110.30707	0.8
113.02351	1.2
113.13949	1.0
121.02832	1.1
123.00775	8.0
124.01571	2.3
125.02378	48.6
126.02698	1.8
132.88307	0.8
139.00276	2.0
139.03941	2.1
140.01054	1.4
141.01903	1.3
145.27055	0.9
151.00305	5.9
168.00638	4.5
169.01390	70.1
170.01718	3.4
183.02902	5.6
211.02461	3.6
241.03574	1.9
269.98221	4.4
270.98862	4.9
271.04694	2.3
283.99628	1.5
285.00446	10.3
286.01224	1.4
297.97632	17.7
298.98380	18.1
299.99231	4.4
300.99606	1.0
313.00082	49.9
313.05688	89.7
314.00735	40.0
314.06024	5.9
315.01385	6.7
327.01529	1.6
328.02307	57.4
329.03085	74.2
330.03418	6.7
343.00534	1.9
343.04681	33.0
344.05008	4.4
491.08493	14.6
492.08463	2.2
593.27942	0.9
597.86987	0.9
625.08466	1.8
657.11115	100.0
658.11487	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	655.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73537	0.5
59.01265	100.0
60.01598	0.8
61.98726	0.9
69.03338	0.8
69.76637	0.4
70.60667	0.5
70.74424	0.7
70.74754	0.9
71.01273	1.6
74.99284	0.8
78.95802	1.5
96.99212	1.0
97.02853	1.8
97.06509	0.5
101.00845	0.8
102.98788	1.3
113.00844	1.0
117.00343	1.0
141.01633	70.5
142.02013	1.3
151.03906	0.4
152.99525	1.0
154.96637	0.5
170.92433	0.4
171.94522	0.6
173.02975	1.3
176.57593	0.5
182.95644	0.5
201.02495	1.0
207.10252	1.4
209.11795	1.3
211.13438	3.8
213.38562	0.5
225.11359	2.4
253.09358	0.5
257.05173	1.2
265.98279	0.4
275.06311	6.5
277.21869	3.3
317.07288	1.4
335.08472	1.3
359.21997	1.7
391.19650	3.6
392.19943	0.5
401.23260	0.8
535.27734	7.5
536.28125	1.3
595.29980	2.8
596.30682	0.6
637.32233	1.0
655.32532	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.3
57.03341	1.6
58.00235	0.3
58.00472	1.6
59.01266	36.3
60.01588	0.5
61.98700	0.5
68.99715	0.9
69.03349	2.4
71.01270	36.3
72.98875	0.3
72.99203	3.2
73.02838	5.7
75.00761	1.0
78.95787	0.4
81.03358	2.1
83.01279	4.2
83.04891	0.3
85.02841	7.8
87.00771	8.5
87.04427	0.3
89.02339	29.7
90.02678	0.6
91.03917	0.8
93.03364	0.4
95.01292	2.6
95.04913	0.2
97.02249	0.4
97.02855	6.0
99.00774	2.6
99.04436	0.4
101.02348	28.8
102.02696	0.4
103.00288	0.3
103.03877	0.4
109.02854	0.7
111.00806	0.4
111.04421	0.7
113.02356	14.4
115.03900	0.8
119.03417	9.9
121.02882	0.7
123.00780	0.6
123.04420	0.5
124.01604	0.6
125.02367	12.7
127.03955	0.4
131.03412	1.3
133.05005	0.8
137.02345	0.4
139.03983	1.3
141.01889	0.6
143.03429	6.0
143.74228	0.3
144.03787	0.3
149.02347	0.4
149.04472	1.2
157.05040	0.5
161.04521	6.3
167.03464	0.8
169.05043	0.5
171.02956	0.5
179.05577	6.0
185.04480	0.7
199.06009	0.4
203.05580	0.4
211.13474	0.3
217.07167	1.0
221.06667	1.9
235.08253	14.0
236.08606	0.7
237.22134	0.3
245.06615	0.4
253.09340	3.2
255.23341	100.0
256.23688	8.0
263.07767	1.2
269.24844	0.6
277.09366	1.2
287.07724	3.7
288.08194	0.4
305.08865	4.3
323.09741	1.6
361.11392	0.6
379.12503	0.7
397.13593	95.1
398.13907	8.1
415.14664	32.3
416.14923	2.7
573.79559	0.3
653.37799	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.5
59.01263	5.3
61.21608	0.4
61.98724	1.4
67.16328	0.5
69.03365	1.9
71.01273	4.2
71.04922	0.5
72.99170	0.4
73.02857	0.4
73.76360	0.4
78.95811	0.9
83.01279	0.8
85.02851	0.7
87.00802	1.1
89.02335	2.1
97.02795	0.4
101.02343	3.2
109.06475	0.7
113.02359	2.2
119.03428	0.8
125.02332	0.4
125.09651	0.4
129.12099	0.4
135.11777	0.5
149.09653	0.7
161.04497	1.6
163.11305	0.5
167.10732	2.3
167.14362	0.6
177.12822	0.5
179.05537	0.6
179.10721	0.9
179.14317	2.6
183.13876	7.2
184.14268	0.7
193.12277	2.7
195.13878	8.6
195.61107	0.4
205.12326	8.5
206.12614	0.6
207.10231	0.4
209.11847	1.2
211.13388	100.0
212.13734	5.9
223.13394	76.7
224.13708	5.1
225.11540	0.6
235.08232	3.6
253.06714	0.6
253.09352	7.8
399.25839	1.0
405.07425	0.5
417.26437	0.9
429.21158	0.7
441.21335	2.1
447.22488	6.7
448.22446	0.7
459.22543	10.1
460.22638	1.2
609.33331	0.5
635.33984	1.5
653.34460	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.7
59.80583	0.3
61.98720	0.9
67.01779	0.7
69.03344	1.3
70.50424	0.7
70.50783	0.7
71.01268	4.6
72.99206	0.6
73.02820	0.4
75.00758	0.4
79.01791	0.4
81.03309	0.4
83.01254	0.5
85.02828	1.8
87.00734	0.5
89.02344	0.5
93.03394	0.4
94.38037	0.3
95.01293	2.1
96.95915	0.8
96.99220	0.6
97.02837	0.9
99.30219	0.3
101.02366	0.9
107.01302	4.5
107.04896	0.4
107.58209	0.4
109.02836	0.7
111.00784	1.9
113.02374	1.5
117.03371	8.4
118.03626	0.3
119.04927	2.3
121.02904	0.6
123.00798	8.1
123.04400	0.9
123.96317	0.3
124.01575	1.7
125.02365	39.1
126.02710	1.2
127.00276	0.5
132.02100	3.9
133.02911	3.2
134.03671	13.2
135.04457	1.7
136.98720	1.1
137.02391	1.7
139.00298	3.1
139.03943	1.4
140.01093	2.7
141.01865	1.2
145.02893	13.7
147.04453	0.8
149.02379	1.1
149.06038	1.3
151.00304	5.0
151.03922	1.0
153.01837	0.7
159.04453	0.4
160.01607	17.8
161.02394	19.7
162.02863	0.6
163.03958	2.0
165.01900	0.7
166.99828	1.4
167.03435	1.2
168.00601	7.1
169.01378	50.3
170.01750	1.8
174.03206	1.2
175.03964	16.9
176.04510	1.0
177.01932	0.7
178.02736	1.0
179.03482	1.7
183.02965	3.7
189.05458	0.9
191.03532	0.6
191.07118	0.4
193.01369	1.2
193.05023	7.8
194.05370	0.6
195.02980	0.8
196.25464	0.4
202.02704	2.9
203.03465	1.7
209.11932	0.4
211.02475	16.8
212.02884	0.5
217.05037	3.8
221.04535	0.4
223.02478	0.7
225.04126	0.4
237.04059	0.3
241.03548	1.5
253.03598	0.9
271.04636	14.3
272.05035	0.8
289.07523	0.7
295.04572	4.3
296.05164	0.4
297.06097	2.1
300.99847	0.6
313.05710	22.0
314.06125	1.0
323.07773	0.7
327.07339	1.7
337.09299	0.5
343.21512	0.4
447.09451	0.4
459.09488	2.9
483.53201	0.4
489.10486	100.0
490.10876	10.4
501.21979	0.4
507.11517	7.6
508.11832	0.7
652.31067	1.1
653.15240	28.4
653.31189	4.4
654.15430	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	653.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01275	0.7
61.38593	0.3
65.00202	0.3
67.01765	0.6
69.03346	0.9
70.90822	0.5
70.91194	0.5
71.01273	4.6
72.99196	0.6
73.02837	0.4
79.01801	0.5
81.03336	0.4
83.01291	0.7
85.02849	1.2
87.00795	0.5
89.03865	0.3
93.03370	0.4
95.01289	1.6
96.95923	0.7
97.02834	1.3
99.00794	0.5
101.02325	1.2
107.01299	5.5
107.04996	0.4
109.02863	0.5
111.00790	1.5
113.02378	1.3
117.03377	8.2
117.04192	0.5
119.04944	2.0
121.02863	0.4
123.00804	6.6
123.04432	0.8
124.01604	1.4
125.02369	40.1
126.02714	1.3
127.00298	0.6
132.02101	4.3
133.02887	3.9
134.03673	14.1
135.04530	1.7
136.98744	0.9
137.02386	1.5
138.03131	0.4
139.00310	3.2
139.03938	1.1
140.01089	2.6
141.01884	1.1
143.03444	0.3
145.02890	14.3
146.03278	0.6
147.04417	0.7
147.53259	0.2
149.02351	0.8
149.06044	1.5
151.00320	4.8
151.03929	0.8
153.01855	0.7
159.04434	0.3
160.01614	19.8
161.02394	20.5
162.02753	1.1
163.03951	1.7
165.01912	0.9
166.99857	1.1
167.03537	1.2
168.00601	7.0
169.01382	52.2
170.01720	1.8
173.02319	0.2
174.03143	1.4
175.03966	18.5
176.04338	1.2
177.01900	0.9
177.05603	0.4
178.02667	1.1
179.03459	1.6
181.01334	0.7
183.02963	4.2
189.05507	0.5
191.03482	0.6
193.01393	1.5
193.05040	8.5
194.05414	0.5
194.94673	0.2
195.02910	0.5
202.02692	2.6
203.03442	1.3
210.01649	0.4
211.02469	16.5
212.02820	0.6
217.05070	3.7
217.06958	0.4
221.04716	0.5
223.02472	0.9
225.04091	0.3
237.04088	0.4
241.03592	1.5
245.04575	0.4
246.95262	0.3
253.03534	0.9
267.05078	0.3
271.04648	13.1
272.04965	0.7
279.05377	0.2
295.04706	3.4
296.05060	0.4
297.06180	2.2
313.05731	22.5
314.06146	1.6
323.07816	0.6
327.07507	1.5
337.09454	0.5
341.06622	0.3
441.08133	0.4
447.09439	0.3
459.09436	2.4
460.09955	0.4
474.08444	0.3
489.10492	100.0
490.10870	12.8
490.16339	0.3
507.03705	0.4
507.11447	7.5
508.11722	1.1
653.15234	29.8
654.15643	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	653.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84142	0.4
59.01275	1.3
62.78502	0.5
69.49998	0.6
69.50399	3.2
71.01296	0.8
72.83487	0.4
85.02830	0.7
87.11902	0.4
89.02349	0.5
95.01308	0.5
96.95926	1.3
99.97455	0.4
101.02339	0.7
102.80006	0.4
107.01324	0.6
109.02843	0.6
112.32885	0.4
117.03407	0.5
117.38754	0.4
121.02826	0.5
123.00823	1.5
123.04450	0.5
125.02371	4.9
125.70227	0.5
132.02159	0.4
133.02892	0.7
134.03798	0.5
135.04407	0.8
137.02367	1.0
145.02895	0.5
149.02425	0.5
150.03204	0.6
151.00394	0.5
151.03969	0.4
154.43948	0.4
160.01639	0.8
161.02376	1.8
163.00362	0.5
168.00562	0.6
169.01385	4.9
170.01718	0.8
175.03941	1.3
179.03477	0.7
189.01869	0.5
190.02603	0.5
200.01065	0.8
201.01787	0.5
203.03580	0.6
214.99919	0.8
216.00620	0.7
221.04576	0.5
228.00703	0.6
242.02156	0.6
242.99402	4.2
243.11465	0.5
243.99971	0.8
258.01776	3.6
270.01294	0.5
270.98917	46.0
271.99277	3.3
273.00562	0.5
277.75827	0.5
282.98819	0.5
283.99710	6.5
285.00452	12.8
286.01248	7.7
287.01724	0.6
297.00400	0.7
297.97546	1.1
298.98413	66.2
299.99066	17.3
300.99933	6.3
302.00119	0.8
305.02792	0.4
312.99979	23.0
314.00757	53.1
315.01389	8.9
315.05005	0.6
316.02008	0.9
323.07776	0.8
328.99579	0.5
329.03082	6.6
414.53879	1.5
445.04443	0.7
501.19467	0.8
653.11615	100.0
654.11981	18.7
654.21356	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.195
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57376	0.7
57.03331	1.3
59.01262	5.2
61.98713	4.8
69.03328	1.8
69.32829	1.3
69.33235	6.6
71.01261	5.0
72.99170	1.0
73.02826	1.5
73.89984	0.7
78.95783	0.9
79.01769	0.7
83.01270	1.9
85.02846	2.5
88.98708	1.0
89.02334	1.8
95.01274	2.9
96.95908	3.3
97.02851	1.4
99.00794	1.1
101.02351	2.2
105.70735	0.7
107.01297	10.3
109.02894	1.2
110.00042	0.8
111.00794	2.8
112.40950	0.9
113.02369	2.4
116.92810	1.6
119.03443	0.8
123.00796	8.8
123.04476	1.4
124.01582	2.8
125.02364	75.0
126.02714	2.5
127.00323	0.9
136.98718	1.0
137.02359	3.4
139.00299	4.7
139.42191	0.8
140.01134	4.8
141.01817	1.3
143.03438	0.9
145.02907	1.9
149.02376	1.3
151.00311	4.7
151.03911	1.3
153.01831	1.5
159.65712	0.8
161.02356	1.2
165.01883	2.4
166.99831	0.8
167.03430	1.4
168.00601	12.4
169.01376	100.0
170.01703	4.4
174.01640	0.8
177.01909	1.4
179.03461	1.5
181.01404	1.7
183.02968	0.8
187.04121	0.8
189.01994	0.9
191.03458	1.1
193.01370	5.9
195.02927	0.9
209.11827	0.8
211.02470	38.6
212.02831	2.0
223.02563	1.0
225.05518	0.9
225.27989	0.8
241.03459	2.2
253.03537	1.2
257.01218	0.8
271.04620	30.7
272.05048	1.9
289.07333	1.7
300.99902	2.4
302.00342	1.2
313.05685	6.6
323.31534	0.8
331.06833	1.7
343.21262	1.1
357.26379	0.8
423.05887	2.6
483.07928	48.3
484.08237	4.9
499.18607	2.2
651.19525	70.5
651.30078	5.0
652.19739	11.9
652.30658	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.3
59.01268	0.9
65.00211	0.4
67.01790	0.9
69.03355	0.7
71.01260	1.3
72.99205	0.7
73.02863	0.4
79.01802	1.0
81.03348	0.5
81.81117	0.3
83.01276	0.7
85.02835	0.9
87.00775	0.6
95.01278	1.6
97.02858	1.1
98.20575	0.5
99.00793	0.2
101.02358	0.9
107.01294	6.6
109.02880	0.5
110.00046	0.4
110.05257	0.3
111.00792	2.2
115.81544	0.3
119.04911	0.4
121.02881	0.3
123.00807	10.4
123.04465	0.5
124.01655	1.7
125.02370	32.4
126.02731	1.1
127.00285	1.2
136.98723	1.7
137.02394	0.4
139.00316	4.3
139.03973	0.6
140.01105	3.4
141.01941	1.3
145.02853	0.5
151.00319	6.7
151.03909	0.6
153.01883	1.2
161.02332	0.3
165.01845	0.3
166.02695	0.3
166.99832	1.2
167.03394	0.3
168.00597	5.9
169.01384	37.2
170.01733	1.3
175.03973	0.6
177.01897	0.5
178.02197	0.3
181.01469	0.3
185.11761	0.9
189.01994	0.5
193.05099	0.5
211.02458	1.1
229.30272	0.3
237.04060	0.8
253.03598	0.3
295.04681	0.4
299.56134	0.3
300.99695	0.3
313.05630	1.2
329.16193	0.4
341.06909	0.5
342.07031	0.5
347.17203	2.1
435.11102	0.3
436.11261	0.9
465.17639	0.8
481.17261	6.8
482.17563	0.6
483.18823	0.7
499.18372	13.3
500.18701	1.5
510.08936	0.3
588.12646	0.8
629.03894	0.3
651.19464	100.0
652.19818	16.3
652.30933	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80113	0.2
59.01228	0.4
60.37815	0.2
61.98696	0.3
71.01242	0.4
71.17110	0.3
71.17424	0.2
74.62425	0.2
86.56745	0.2
90.48627	0.2
107.01254	0.2
117.03378	4.1
119.04939	2.3
123.00813	0.8
124.03917	0.2
125.02347	1.2
139.00284	0.3
145.02898	9.6
146.03258	0.3
151.00320	0.4
161.05994	0.4
163.03983	1.0
168.00597	0.3
169.01366	1.6
197.99719	0.2
205.05058	0.3
211.02490	0.2
241.01489	0.2
254.99329	0.9
257.00934	1.1
265.07144	0.5
269.00928	0.8
269.98108	7.9
270.98624	0.8
271.02368	0.3
282.98834	0.4
283.99637	0.3
285.00467	9.9
286.00912	0.7
297.00516	0.8
297.97614	32.0
298.98032	2.5
299.01987	1.0
307.08228	1.1
311.99051	0.4
312.99973	61.0
314.00403	5.7
327.01553	1.4
328.02313	67.3
329.02725	6.7
343.04660	100.0
344.04993	8.2
344.08310	0.2
454.77573	0.2
459.05228	0.2
619.11603	0.5
636.11462	0.3
651.13916	9.9
651.30634	4.0
652.14185	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	651.0855
Annotation	Pelargoniin D
Peak:m/z	Relative Intensity
60.42946	0.5
63.76145	0.5
65.00172	0.5
67.01787	0.9
69.03344	2.5
71.01282	0.8
81.03365	1.0
85.02870	0.6
93.03349	0.5
95.01288	1.5
97.02875	2.5
99.00824	1.1
107.01270	0.7
109.02912	1.0
111.00781	2.0
119.01292	0.6
119.04945	1.2
121.02874	0.6
123.00816	2.1
123.04386	0.6
124.01565	1.7
125.02375	78.2
126.02721	1.9
131.04953	1.4
133.02881	0.7
133.06532	1.0
134.81676	0.5
135.04443	0.7
137.02371	2.9
139.00351	1.0
145.02837	1.2
147.00900	0.5
147.04443	2.7
148.01619	0.9
149.02371	2.2
149.06036	2.0
151.00430	0.7
151.03963	0.6
158.03680	0.8
159.04477	4.2
161.02452	1.2
161.06032	1.8
163.00256	2.5
163.03909	2.9
165.01868	1.9
166.99773	0.8
167.03564	0.6
168.00604	3.5
169.01389	100.0
170.01750	3.1
173.02286	0.8
175.03989	9.9
175.74922	0.5
176.04616	0.6
177.01875	3.7
177.05519	2.1
178.02481	0.5
178.99881	0.6
185.02301	0.7
187.03964	3.1
189.01917	1.8
190.02676	1.5
190.99849	2.1
191.03511	3.1
193.01404	6.3
193.05078	0.7
193.65453	0.5
194.01927	0.7
201.01851	1.3
203.03499	18.2
203.96051	0.6
204.03986	1.4
205.01456	3.0
205.03255	0.8
205.05064	10.6
208.00185	1.2
209.00873	1.5
211.02513	0.6
213.01871	0.7
216.00620	0.9
218.99364	2.1
219.02988	2.2
221.00974	0.9
221.04579	4.1
229.01530	2.8
231.03012	16.6
232.03442	0.7
237.00385	2.8
247.02525	11.5
248.03088	0.6
249.04039	4.6
257.00949	1.6
265.03568	1.7
275.02057	26.5
276.02399	1.7
293.03085	6.2
300.99951	1.1
313.05688	1.2
319.01056	8.4
331.06903	4.3
337.02191	6.7
337.05948	1.3
353.05173	1.0
365.05209	1.5
381.04675	5.7
393.08362	2.2
407.06708	0.6
409.07846	3.2
419.06305	2.4
437.07281	4.4
438.07800	0.8
453.07074	4.8
463.05276	5.8
481.06390	23.3
482.06818	2.2
483.07761	1.5
565.57904	0.6
607.09882	0.8
633.07532	2.4
651.08313	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98284	1.2
57.03330	3.6
58.00485	2.7
59.01264	44.2
59.71677	1.1
61.98715	3.3
62.36110	1.1
65.31232	1.2
65.38625	1.0
69.31035	13.5
71.01273	29.3
72.99202	3.8
83.01289	3.1
85.02846	5.4
87.00770	1.9
89.02339	31.9
95.01280	3.2
101.02336	19.1
108.08114	2.9
109.02866	4.6
113.02335	8.3
119.03423	13.2
122.92010	1.2
123.04444	5.0
125.02367	17.5
126.09167	4.8
131.03429	1.6
137.02393	4.1
138.09203	1.8
141.85266	1.3
143.03403	2.8
151.03951	8.1
161.02370	3.2
161.04514	3.1
174.54878	1.2
179.03421	1.7
179.05640	8.1
200.40810	1.3
203.07030	1.8
205.04964	1.7
225.22231	7.5
245.08258	1.6
253.21767	2.6
270.24399	1.5
271.22864	4.4
277.21841	3.6
289.07272	10.5
290.07721	3.5
296.26086	2.5
380.78006	1.2
392.31958	1.9
410.32816	16.1
411.33017	2.2
428.33691	6.9
429.34332	1.4
590.39197	100.0
591.31256	1.8
591.39679	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	649.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17822	0.6
57.03337	2.5
59.01268	1.9
67.01788	1.2
69.03362	1.9
71.01280	3.4
71.58469	0.9
72.99202	1.3
75.63625	0.6
83.01304	2.5
85.02865	0.9
87.00745	0.6
94.12178	0.6
95.01295	2.0
95.04926	0.8
96.95934	2.6
97.02853	1.8
99.00797	1.3
101.02332	1.3
106.29701	0.7
107.01301	10.1
109.02879	2.6
111.00794	2.7
113.02385	1.2
123.00803	14.0
123.04463	1.9
124.01633	2.7
124.92429	0.7
125.02374	80.5
126.02691	2.5
127.00294	1.1
129.28401	0.6
133.02913	1.1
136.98756	1.9
137.02373	3.3
139.00337	4.4
139.03914	1.3
140.01118	4.0
141.01884	1.7
145.02901	2.0
147.99214	0.7
149.02373	1.7
151.00334	7.2
151.03978	4.1
152.00618	0.7
153.01898	0.9
153.38326	0.7
161.02406	2.5
163.00278	0.9
163.03966	1.9
164.01051	0.8
165.01875	2.9
166.99815	2.6
167.03453	1.0
168.00612	14.3
169.01389	92.2
170.01730	4.6
175.03976	1.5
177.01888	2.2
179.03456	2.1
189.01903	0.8
193.01414	2.8
205.01320	0.8
205.05173	0.9
211.02493	29.2
212.02879	1.3
229.05049	1.0
241.03561	1.8
271.04587	20.8
272.05032	1.1
287.05692	1.2
289.07349	4.7
295.04657	6.5
296.05099	0.9
297.06198	1.6
301.00095	1.9
313.05753	26.4
314.06082	2.2
407.07495	0.9
447.05646	0.9
465.06815	46.0
466.07184	4.1
479.15494	1.4
497.16757	5.5
585.23914	0.8
596.58240	0.7
649.17877	100.0
650.18127	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	649.0695
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52277	1.2
54.89956	1.2
69.16940	1.1
69.58874	8.1
69.59294	3.2
83.08901	1.2
95.01309	3.1
105.33794	1.2
111.00792	2.0
117.03400	1.2
119.04928	1.4
123.00774	6.9
125.02380	18.0
133.02887	2.8
137.02332	2.3
139.00247	2.7
145.02873	3.4
149.02315	1.7
161.02362	5.2
163.00319	2.8
166.99806	7.1
168.00412	1.3
169.01381	29.9
170.01674	1.9
171.00804	2.3
173.02380	3.6
175.03943	2.7
177.01906	2.6
185.02502	1.3
187.00317	1.5
189.01863	7.5
191.03505	4.3
199.00284	2.0
201.01898	5.4
203.03467	1.3
205.01395	2.2
217.01489	6.6
219.03076	2.1
226.99864	1.4
229.01419	5.8
231.02919	2.5
233.00850	1.9
242.99408	2.6
245.01013	9.7
247.02455	7.3
254.99405	1.8
257.00903	5.2
261.00510	3.1
270.98932	4.9
271.99365	1.5
273.00531	14.4
274.01080	1.7
275.01999	8.3
283.99582	3.0
288.99866	2.4
291.01428	2.6
298.98520	11.8
299.99289	6.0
300.99960	78.2
302.00275	7.0
315.98480	2.8
316.99454	100.0
317.99884	6.9
405.04755	1.8
433.04224	6.4
443.02512	4.6
445.04236	9.4
461.03824	10.3
463.05264	14.0
464.05579	1.6
481.06290	11.2
544.08844	1.5
569.05518	1.5
605.07928	1.8
613.04651	7.4
631.05951	1.5
649.06427	9.4
674.26129	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
60.15245	1.9
62.57555	1.9
65.29554	1.9
67.01781	2.5
69.03345	2.9
70.71015	1.9
74.18060	1.8
77.43944	1.8
93.96037	2.1
95.01278	6.7
98.39580	2.1
103.23823	1.9
111.00775	2.5
117.03344	3.5
119.04904	3.4
119.35965	2.0
123.00796	14.3
125.02380	46.7
133.02916	3.1
137.02391	2.6
139.00307	6.7
141.53966	2.1
145.02867	6.3
151.03819	2.0
161.02374	14.5
163.00259	5.3
163.03946	12.6
166.99794	15.6
168.00562	4.2
169.01373	64.7
170.01630	2.1
173.02405	8.8
173.04572	3.6
175.03957	4.6
177.01851	4.6
185.00746	2.6
187.00325	4.0
187.03922	2.3
189.01917	13.4
190.02667	2.1
191.03459	7.1
191.05528	3.2
193.01373	3.8
201.01845	6.8
203.03435	5.1
205.01549	2.5
213.01999	2.7
214.99828	5.0
216.00771	2.8
217.01500	16.1
219.03006	3.9
229.01353	12.0
229.04984	2.4
231.02911	2.1
233.00999	3.0
242.99405	5.0
244.00084	3.2
245.00948	20.7
246.01366	2.4
247.02493	13.8
251.04422	2.2
257.00943	6.1
270.98758	13.0
273.00497	25.7
274.00992	3.8
275.02020	11.0
289.00000	3.4
291.01367	2.8
298.98364	25.4
299.99170	12.7
300.99954	84.6
301.03421	4.2
302.00372	7.1
313.06247	2.3
316.99454	100.0
317.99738	10.5
337.09109	2.8
403.62976	2.0
405.04620	6.4
417.04810	2.9
433.04233	12.2
435.05820	3.6
443.02643	9.8
445.04144	24.0
446.04520	2.4
461.03662	26.3
462.04514	3.0
463.05319	24.9
481.05951	9.6
521.04700	2.3
569.06036	3.4
613.05096	12.8
631.05450	2.9
649.07166	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	649.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.5
66.91405	0.4
69.51810	2.8
71.01260	0.7
77.21138	0.4
88.50262	0.3
95.01274	0.9
98.20499	0.8
111.00811	0.5
117.03368	0.8
123.00778	1.5
125.02380	1.9
131.01302	0.4
133.02840	1.0
137.02397	0.7
139.00262	1.5
145.02916	1.6
147.00803	0.6
147.04449	0.6
149.02333	0.7
151.00342	0.4
157.02892	0.5
160.01538	0.4
161.02397	2.5
163.00346	0.6
163.03928	0.9
163.67204	0.3
165.01874	1.0
166.99791	1.9
168.33655	0.3
169.01299	1.8
173.02428	1.7
175.03922	1.1
176.01059	0.5
177.01933	1.6
179.03331	0.7
182.99239	0.5
185.02440	1.3
187.00302	0.8
187.03885	0.5
189.01906	4.3
190.02521	0.6
190.99701	0.4
191.03442	1.1
193.01321	0.6
199.00333	0.6
201.01880	2.4
203.03419	1.3
205.01419	2.1
209.00891	1.2
214.99809	0.7
216.00670	0.4
217.01451	3.7
218.01982	0.5
219.03069	0.7
221.00948	0.9
229.01483	3.7
230.01892	0.6
230.99289	0.4
231.03008	1.3
233.00949	1.8
242.99371	1.3
243.03075	0.4
244.00040	0.4
245.00900	4.0
247.02489	2.5
249.03952	0.5
254.99202	0.4
257.01013	2.3
258.01547	0.6
259.99799	0.4
261.00476	2.1
263.02008	0.7
270.98947	2.0
271.99304	0.5
273.00473	3.2
274.00885	1.0
275.02039	4.9
276.02530	0.5
283.99789	0.8
289.00009	1.7
291.01611	1.1
298.98447	1.4
299.99176	1.8
300.99960	54.0
302.00302	4.8
315.98676	2.2
316.99448	100.0
317.99777	8.7
318.03281	0.6
331.06741	0.9
445.04123	0.5
453.06924	0.6
463.05347	6.7
464.05399	0.9
481.06326	9.0
482.06873	0.9
603.06409	1.3
605.07935	0.6
613.04681	3.5
614.05957	0.4
621.07495	1.0
631.06128	1.3
649.06860	6.6
650.07336	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67721	0.7
56.50105	0.7
56.64373	0.6
59.01245	0.7
67.01762	0.6
71.01250	0.9
71.51701	1.1
79.01775	0.7
87.98326	0.6
93.03362	0.9
95.01299	1.1
105.03387	0.7
107.01321	1.0
109.69177	0.5
111.00787	1.7
117.03394	1.3
119.04933	0.8
123.00803	2.6
125.02373	4.4
133.02867	0.8
137.02396	1.6
139.00414	1.3
145.02870	2.1
147.04414	0.8
149.02380	1.1
157.02870	0.7
161.02353	3.3
163.00276	1.2
163.03958	1.6
165.01891	1.3
166.99763	2.4
169.01337	3.0
173.02397	2.8
173.04543	1.4
175.04015	1.0
177.01898	1.7
179.03468	0.8
182.99161	0.7
185.00893	0.7
185.02470	1.7
189.01894	4.9
189.05630	0.6
189.77043	0.6
191.03473	1.2
193.01456	0.8
195.74152	0.6
199.00465	0.8
201.01910	2.3
203.03448	1.6
205.01436	2.7
209.00980	1.3
214.99849	0.8
217.01425	4.3
219.03043	1.1
221.00684	0.6
229.01448	3.8
230.01909	0.7
231.03008	1.2
233.00911	1.6
234.01352	0.8
242.99388	1.9
245.00980	4.4
247.02484	4.3
251.02046	0.8
257.01013	3.0
258.01617	0.8
261.00500	1.9
270.98904	1.9
273.00552	3.5
274.01010	0.9
275.02020	5.4
289.00034	1.2
291.01440	2.6
298.98404	1.7
299.99161	3.1
300.99957	56.7
302.00269	4.4
315.98694	3.4
316.99451	100.0
317.99796	8.5
331.06531	0.7
436.99506	0.6
453.06921	0.7
462.11151	0.6
463.05380	5.6
481.06375	8.9
482.06839	1.4
577.08142	1.0
605.07361	1.7
613.04517	3.4
631.04974	0.8
649.06836	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	647.3969
Annotation	Uncarinic acid A
Peak:m/z	Relative Intensity
51.62729	0.2
54.84135	0.2
70.94473	0.2
71.16103	0.7
78.95786	0.4
95.04910	0.8
105.03361	2.2
119.04933	0.9
123.04390	0.4
125.02320	0.3
128.58795	0.3
132.02095	7.6
133.02884	15.0
134.03680	7.2
135.04362	0.5
136.01579	0.5
136.47107	0.2
137.02382	0.5
145.68085	0.2
147.04416	0.8
149.06027	6.3
150.06319	0.3
153.05556	0.5
153.09138	0.3
160.01611	46.3
161.02206	2.3
175.03966	51.0
176.04274	2.3
177.01900	3.4
178.02702	0.4
192.04237	1.1
193.05034	1.1
193.28764	0.3
202.86757	0.3
210.75600	0.3
220.95985	0.3
231.60991	0.3
436.02429	0.3
453.33539	0.6
465.26541	0.4
497.32813	0.8
511.62018	0.3
573.35828	1.4
581.85345	0.2
587.37628	0.8
588.38416	0.9
603.40656	0.7
632.37408	1.5
647.39661	100.0
648.39996	18.4
662.34821	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	5.4
58.00483	0.3
59.01265	1.6
61.98717	0.7
64.13295	0.1
64.65508	0.2
65.00202	0.2
67.01755	0.2
69.03334	0.8
69.41372	1.2
71.01270	0.6
73.02853	0.2
81.03354	1.2
82.40660	0.2
83.01274	3.3
85.02842	0.4
87.04420	0.7
88.98726	0.3
89.02347	0.4
93.03370	1.1
95.01289	0.4
95.04922	1.5
96.95938	1.1
97.02856	1.8
97.06489	0.4
98.03600	0.2
101.02350	0.3
107.01311	0.5
108.02081	0.4
109.02864	7.0
109.06469	0.5
111.00779	0.7
111.04455	0.3
111.08089	0.2
113.02296	0.2
117.03351	0.4
121.02896	1.3
122.03674	0.4
123.00826	0.4
123.04446	3.8
123.08070	1.0
124.01552	0.2
124.04853	0.2
125.02368	28.2
126.02718	0.9
127.00234	0.2
133.02863	0.4
133.06578	0.3
135.04453	0.7
135.08118	0.4
136.81647	0.1
137.02377	19.5
138.02838	0.5
139.00371	0.2
139.03944	0.9
139.11240	0.4
141.01640	0.8
141.09146	0.4
141.12807	0.4
143.05020	0.3
143.10803	0.2
145.02890	7.9
146.03685	1.3
147.04495	0.2
147.94095	0.2
149.02383	4.8
149.03569	0.3
150.03183	1.0
150.04152	0.2
151.00340	0.3
151.03940	3.7
152.04347	0.2
153.09183	0.5
157.06593	0.3
157.12303	0.9
158.03595	0.2
159.04463	3.1
160.05292	0.7
161.02396	0.8
161.06021	3.7
162.03087	0.5
162.06409	0.3
163.03981	0.3
164.01111	1.0
165.01903	1.7
166.02597	0.2
167.03432	0.6
167.04897	0.3
169.01405	1.5
169.12312	0.7
170.03693	0.2
173.02409	0.2
173.06065	0.2
174.03096	0.2
175.03964	1.0
175.07587	0.5
179.03481	2.1
181.06512	0.2
183.04506	0.9
184.05223	0.3
185.02435	0.3
185.06055	2.2
185.11798	1.3
186.06435	0.2
187.03983	2.8
188.04716	1.3
197.06070	0.2
199.04129	0.3
199.07602	0.3
201.05536	1.2
201.11391	0.3
202.06337	0.9
203.03528	0.3
203.07120	5.8
204.07457	0.4
205.05040	2.2
207.04552	0.2
208.08185	0.1
209.06082	0.7
209.11906	0.2
211.03973	0.7
212.04718	0.4
213.01939	0.4
214.12015	0.2
215.12892	0.8
217.01541	0.2
217.08728	0.2
221.08244	0.7
225.05496	0.3
225.07681	0.2
226.06386	0.2
227.07127	1.6
229.01442	0.2
229.05000	0.8
230.02200	0.4
230.05785	0.4
231.03041	0.3
232.94928	0.2
244.07466	0.3
245.08224	6.4
246.08575	0.6
247.06073	0.4
251.20284	0.2
253.05096	3.3
254.05540	0.3
256.03714	0.2
270.05237	0.2
271.06183	17.4
272.06567	1.3
289.07254	31.7
290.07629	2.1
299.98813	0.2
300.99957	1.6
302.00281	0.2
307.02405	0.2
311.22452	0.2
313.05652	0.3
327.05527	0.2
327.21896	0.2
327.25562	0.4
329.23343	1.5
339.25369	0.3
355.24847	0.2
357.26657	1.7
358.27026	0.2
373.25964	1.3
374.26459	0.3
375.27585	100.0
376.27921	11.0
411.31183	0.3
413.29105	0.3
453.32208	0.2
455.30246	0.4
479.30331	0.2
497.31342	7.3
498.31628	1.3
509.31421	2.1
510.31628	0.3
557.13239	0.4
557.21924	0.2
558.57379	0.2
561.34387	0.3
603.35437	3.3
603.44843	0.2
604.35822	0.6
647.18793	0.3
647.34656	10.0
648.19727	0.3
648.34821	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	645.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.5
57.03325	1.9
58.00497	0.9
59.01262	14.4
61.98717	13.2
67.01774	1.0
69.03352	1.2
71.01270	19.5
71.58055	1.0
71.58488	1.4
72.99200	1.5
73.02826	8.0
75.00781	1.4
83.01260	6.0
83.04920	34.5
84.05235	0.9
85.02841	11.4
85.99992	1.9
87.00758	1.3
89.02351	4.3
91.72597	0.8
95.01305	2.7
96.95856	1.2
97.02834	1.2
99.00772	2.7
99.04438	2.1
100.54408	0.9
101.02345	16.7
109.02867	1.9
111.00797	2.3
111.04362	0.8
111.08068	1.5
112.01588	1.0
113.02355	7.5
117.03367	0.8
119.03584	0.9
119.04955	15.0
120.05297	6.6
121.02824	1.0
121.05647	1.2
121.06514	5.4
122.03653	1.7
122.63635	0.8
123.00814	1.2
123.04456	1.5
125.02392	4.5
127.03937	100.0
128.04277	3.1
137.02414	1.4
137.06023	5.7
139.00276	1.0
139.03969	1.3
139.07587	33.6
140.07921	1.3
143.03445	1.5
145.02887	4.5
146.03281	1.9
151.04041	0.9
159.02965	1.0
161.04572	4.2
163.03897	1.0
165.01900	2.6
165.05534	22.1
166.05870	0.9
169.01367	2.6
183.18637	0.8
197.11819	5.4
198.12167	2.4
209.11810	3.9
210.12094	1.6
215.57695	0.9
299.26230	0.9
333.74319	0.8
355.28625	0.9
400.21042	1.1
421.33203	4.1
422.33588	1.0
439.34338	5.0
461.31506	1.4
517.33972	24.1
518.34467	4.1
524.33197	3.3
525.33624	6.3
535.34955	5.5
536.35034	1.3
583.38574	2.2
585.36835	1.6
601.39728	57.0
602.39941	11.9
627.38025	4.6
628.37964	1.2
645.38959	53.8
646.39410	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	645.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	2.7
57.03337	2.7
58.00469	0.6
59.01265	12.1
59.09634	0.5
61.98722	7.6
67.01772	1.5
70.76856	0.8
70.77184	1.1
71.01274	18.2
71.04903	0.7
72.99229	1.4
73.02834	6.9
75.00771	1.0
79.11014	0.5
81.03398	0.8
83.01282	4.8
83.04922	30.5
85.02847	11.0
85.99996	1.2
87.00768	1.3
89.02332	3.0
91.55894	0.6
94.12020	0.5
95.01283	1.6
97.02822	0.6
99.00776	2.8
99.04433	2.2
101.02349	14.0
109.02897	1.2
109.06526	0.8
111.00803	1.6
111.04448	0.7
111.08067	1.5
113.02363	7.0
119.04904	1.0
120.05276	0.9
121.06495	4.3
122.03677	3.3
123.00819	0.7
123.04517	0.6
124.05242	0.8
125.02391	4.5
126.03254	0.7
127.03938	100.0
128.04303	2.6
129.01868	0.7
137.02440	0.6
137.06003	5.4
139.03970	1.3
139.07587	35.2
140.07919	1.0
145.02887	1.1
151.03969	0.6
155.14476	0.7
159.02943	1.1
161.04507	3.3
165.04135	1.0
165.05534	21.3
166.05843	1.0
169.01349	1.1
183.83508	0.5
197.11855	0.8
209.11845	0.6
212.95506	0.6
291.83853	0.6
355.28293	1.3
421.33466	3.1
439.34409	3.4
452.48471	0.6
461.31335	2.0
517.33966	21.6
518.34265	3.1
535.34772	3.4
536.35651	0.7
583.38556	3.6
601.39734	67.6
602.40015	11.2
627.37500	4.1
628.38538	1.0
645.38800	48.9
646.39081	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	645.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03083	0.5
57.03342	5.6
59.01270	2.4
61.98720	4.1
69.03335	1.2
71.01267	1.8
71.01608	0.4
71.59385	0.5
73.02830	0.6
81.03346	1.5
83.01276	3.2
85.02846	0.5
89.02328	0.8
93.03361	0.9
95.01282	0.4
95.04921	1.8
96.95912	1.1
97.02849	1.5
101.02328	0.9
109.02864	7.6
109.04463	0.3
111.00780	1.0
113.02352	1.0
113.05970	0.5
117.03385	1.0
118.26458	0.4
119.03493	0.5
119.04964	0.4
121.02852	1.3
121.06497	0.4
121.10190	0.4
122.03712	0.5
123.00774	0.9
123.04451	4.0
123.08075	0.9
124.35004	0.3
125.02369	26.8
125.09615	0.7
126.02689	0.5
127.11185	1.1
132.02153	0.5
135.04462	0.9
136.05267	0.3
137.02377	19.9
137.09639	0.6
138.02774	1.1
139.00243	0.4
139.03925	0.9
139.11263	0.4
143.10768	0.4
145.02893	7.1
146.03600	1.4
149.02394	4.4
149.06024	0.4
150.03107	1.0
151.03949	4.4
151.07561	1.3
153.12782	0.6
155.10718	1.4
159.04494	4.2
160.05092	0.7
161.02354	1.2
161.06010	3.2
162.03123	0.6
163.03967	0.8
164.01068	1.3
165.01901	2.8
165.05449	0.4
167.03433	0.8
169.01405	1.9
171.10252	3.5
175.04019	1.6
179.03535	2.0
180.03842	0.4
183.04495	1.0
185.06039	2.6
185.11768	0.5
187.03978	2.9
188.04692	1.1
191.03429	0.7
193.54535	0.3
199.07660	0.7
201.05550	1.6
202.06284	1.0
203.03529	0.4
203.07121	5.1
205.05060	3.0
209.06133	0.7
211.04141	0.4
212.04715	0.7
215.12894	1.1
217.08531	0.4
221.08159	0.8
226.06078	0.5
227.07051	1.7
229.05092	0.9
229.14325	0.4
230.02165	0.9
230.05817	0.5
230.15219	0.5
243.77847	0.4
245.08220	7.1
246.08534	0.5
253.05106	3.9
270.05231	0.4
271.06195	16.5
271.19269	0.6
272.06570	1.4
289.07254	39.8
290.07654	2.7
313.23840	0.6
325.24033	0.5
329.83194	0.4
343.24930	1.3
355.24850	1.6
373.26019	100.0
374.26392	10.7
430.68774	0.3
465.32739	0.6
483.33362	1.2
495.29761	8.9
496.30170	1.2
507.29691	2.2
601.34131	3.9
627.37830	0.6
645.33038	10.0
646.33167	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	645.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	5.3
59.01215	1.7
61.98662	3.5
69.03288	0.8
69.40391	0.6
69.40794	2.6
71.01213	1.3
71.04890	0.4
73.02792	0.5
78.72792	0.3
80.02547	0.3
81.03290	1.1
83.01276	3.2
83.04865	0.6
85.02822	0.6
88.98642	0.5
89.02271	1.2
90.67339	0.3
93.03297	1.1
95.01228	0.4
95.04919	2.0
95.05396	0.4
96.95897	0.8
97.02843	2.2
97.06436	0.3
99.00745	0.4
101.02285	0.8
107.01243	0.5
107.04852	0.4
108.02068	0.4
109.02862	7.3
111.00719	1.0
111.04396	0.5
111.08007	0.3
112.49067	0.3
113.02345	0.4
117.03316	0.4
119.03357	0.3
121.02914	1.9
122.03593	0.7
123.00752	0.7
123.04450	5.0
123.08020	0.3
125.02370	28.5
125.09591	1.2
126.02647	0.9
127.11162	1.3
135.04359	1.3
137.02373	20.5
137.09567	1.1
138.02841	0.5
139.00229	0.5
139.03893	1.2
145.01863	0.5
145.02888	7.5
146.03542	1.2
147.04326	0.4
149.02373	4.4
150.03140	0.6
151.00230	0.5
151.03949	4.6
151.07513	0.5
153.12794	0.3
155.10655	0.9
159.04477	3.3
160.05202	0.6
161.02318	1.3
161.04933	0.3
161.06021	3.7
162.03098	0.6
163.03883	0.9
164.01013	1.1
165.01895	2.9
166.02472	0.4
167.03452	0.6
167.04874	0.5
169.01379	2.2
169.12248	0.4
171.10197	3.2
173.05928	0.6
175.03897	1.0
177.01881	0.4
179.03505	1.7
183.04330	0.6
185.06055	2.5
185.11748	0.6
186.03308	0.4
187.03990	3.3
188.04700	1.7
199.07538	0.7
201.05446	1.3
201.11211	0.4
201.14871	0.4
202.06258	0.7
203.07126	6.6
205.05032	3.3
211.03920	0.7
212.04633	0.6
215.12764	1.0
221.08258	0.8
225.05666	0.4
227.07014	2.3
229.05148	0.7
230.02190	0.4
230.05644	0.5
230.15211	0.4
240.74535	0.3
243.06700	0.4
245.08243	7.9
246.08534	0.4
247.05949	0.4
253.05119	4.6
269.04480	0.3
271.06204	17.3
271.19214	0.4
272.06458	1.0
289.07257	36.6
290.07596	2.9
325.23947	0.6
343.24997	1.4
355.24854	1.5
371.24783	0.6
373.26031	100.0
374.21606	0.4
374.26361	10.2
495.29736	8.3
496.30350	1.1
507.29684	2.2
601.34033	3.5
645.33118	11.1
646.33704	2.1
658.98297	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72846	0.3
52.72415	0.3
53.70350	0.3
54.01544	0.3
57.03339	5.9
59.01263	1.9
61.98715	3.3
67.23195	0.3
69.03341	1.1
70.14342	1.6
71.01268	2.1
73.02839	0.5
81.03335	1.5
83.01273	3.7
83.04917	0.6
85.02839	1.2
89.02333	1.4
93.03355	1.3
95.01289	0.6
95.04950	1.7
96.95914	1.2
97.02846	2.2
97.06483	1.0
100.62531	0.4
101.02336	1.5
109.02859	7.7
110.03216	0.4
111.00794	1.3
111.04446	0.7
113.02350	1.0
117.03400	0.7
121.02860	1.5
122.03641	1.0
123.04438	5.2
123.08075	1.6
124.01583	0.6
125.02370	30.3
125.05975	0.5
126.02744	0.8
127.11175	0.4
132.31358	0.4
135.04414	1.1
136.01649	0.4
137.02376	25.3
138.02721	0.8
139.00278	0.4
139.03963	1.1
139.11194	1.0
143.05031	0.4
145.02908	7.1
146.03708	1.8
149.02399	4.3
150.03130	1.2
151.00368	0.8
151.03944	4.1
155.10670	0.4
157.12253	0.7
159.04463	4.3
160.05139	0.8
161.02393	1.4
161.06027	3.7
162.03123	0.5
163.03946	0.7
164.01074	1.8
165.01868	5.6
165.05525	0.8
166.02507	0.4
167.03517	0.5
167.07088	0.7
168.00507	0.5
169.01390	2.0
171.10165	1.0
173.06006	0.4
175.03958	1.2
175.07506	0.4
179.03435	2.6
179.84312	0.3
183.04515	1.3
185.06067	2.1
185.11784	4.6
187.04010	3.4
188.04701	1.4
197.11787	0.5
201.05501	1.5
202.06310	0.9
203.07140	6.5
204.07483	0.4
205.05057	3.6
209.05949	0.6
209.11726	0.6
211.04042	0.8
214.12216	0.6
221.08121	0.5
225.05695	0.7
227.07135	1.6
229.05133	0.6
230.02237	0.4
230.05849	0.5
231.03012	0.4
245.08197	6.9
247.06236	0.6
253.05113	4.0
254.05484	0.5
271.06204	18.0
272.06509	0.9
286.80005	0.4
289.07257	37.3
290.05014	0.3
290.07703	2.8
327.21622	0.4
327.75394	0.4
355.25015	0.8
365.69272	0.4
371.24374	0.8
373.26025	100.0
374.26407	10.3
395.00906	0.4
465.31369	0.5
483.32730	0.7
493.24667	0.8
495.29797	9.2
496.29974	1.3
507.29691	2.2
585.36530	0.4
601.33112	2.9
602.33972	0.6
613.25964	0.5
627.37976	1.7
645.31024	9.2
646.30988	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	645.294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79503	0.8
51.02306	0.9
55.01767	0.9
57.03344	5.4
59.01269	7.4
61.98480	0.8
61.98719	9.8
69.03348	1.2
71.01271	5.4
71.61512	1.0
71.61897	0.9
72.99184	0.9
73.02803	1.7
81.03337	2.1
83.01279	6.9
83.04926	1.1
85.02844	2.3
89.02341	2.6
89.32613	0.8
93.03348	2.4
95.01270	1.4
95.04922	1.5
96.95885	1.4
97.02855	4.7
97.06467	0.9
101.02331	3.3
108.02056	2.8
109.02872	12.3
111.00785	1.0
113.02342	2.4
117.03377	1.2
119.03424	0.9
119.04929	1.5
121.02876	5.4
122.02979	0.9
122.03677	9.7
123.00771	1.3
123.04474	7.4
124.01584	4.8
125.02371	22.9
126.02678	1.0
127.11185	0.9
135.04417	1.6
136.01564	3.0
137.02382	49.0
138.02821	2.7
139.03922	3.3
141.01891	0.9
145.02893	6.7
146.03630	1.6
149.02368	6.0
150.03116	1.6
151.03958	6.4
154.02640	2.2
159.04517	5.7
160.01643	1.4
161.02278	2.6
161.06012	6.6
162.03131	1.4
163.00243	0.8
163.04012	1.6
164.01108	7.0
165.01892	55.0
165.05518	1.6
166.02310	3.4
169.01350	2.3
169.26807	0.7
171.10252	2.4
175.03951	2.5
177.05519	0.8
178.02682	0.8
179.03429	7.6
179.05632	0.8
180.04111	1.9
184.05049	0.7
185.06071	2.0
185.69467	0.8
187.03996	5.5
188.04573	2.0
195.06535	0.9
197.11823	1.3
201.05505	3.4
202.06250	1.6
203.03551	1.0
203.07153	9.3
204.07596	0.9
205.05046	8.2
205.08226	0.7
209.11771	1.5
227.07024	1.2
229.04980	0.8
231.02989	1.1
244.07526	3.7
245.08255	4.7
247.06026	0.9
253.05080	2.6
271.06155	11.3
275.20316	0.8
288.06494	2.3
289.07242	26.7
290.07529	1.6
291.07819	1.0
315.20657	0.9
371.24414	1.5
372.24509	1.8
373.26010	59.8
374.26392	5.3
435.28183	0.9
493.24625	14.9
494.24878	2.3
495.29965	5.5
507.29892	1.4
585.36389	1.6
601.31305	3.3
602.31079	0.9
612.42517	0.9
627.37854	1.1
645.29169	100.0
646.29602	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	645.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.9
59.01255	1.9
59.25255	0.8
61.98708	1.1
65.00211	0.8
67.01778	1.4
69.03339	1.0
71.01257	2.2
71.60040	1.6
78.63142	0.8
80.88029	0.7
83.01274	1.2
85.02853	0.8
87.00729	0.8
89.02335	1.0
93.03353	1.0
95.01291	1.8
96.95916	1.5
107.01314	2.7
109.02885	3.6
110.03216	0.7
111.00792	3.9
113.02370	0.9
119.04916	1.5
119.87986	0.7
121.02885	2.5
123.00794	6.1
123.04454	1.9
124.01576	2.9
125.01440	1.6
125.02368	32.7
126.02691	2.0
133.02791	1.4
135.04431	1.0
136.01581	2.1
137.02390	21.8
138.03090	2.2
139.00302	7.1
139.03941	2.6
140.01059	2.1
144.37555	0.8
145.02895	2.3
148.01631	0.9
149.02380	3.1
150.03140	1.3
151.00331	4.3
151.03973	3.2
153.01892	1.1
153.05524	1.8
161.02356	3.7
162.03032	0.8
163.00340	1.2
163.03960	3.2
164.01083	5.1
164.04755	1.0
165.01889	100.0
166.02455	5.2
166.99832	7.7
167.03378	1.1
168.00577	2.5
169.01390	27.2
170.01729	2.3
175.04015	2.5
177.01881	1.8
177.05516	1.2
179.02315	0.5
179.03459	20.3
179.07047	1.7
180.04254	50.6
181.04950	4.6
185.00899	1.9
193.01385	1.2
194.05818	2.7
195.02977	3.4
195.06612	67.4
196.06946	3.0
201.01909	1.2
205.05101	1.0
207.06631	0.9
210.05330	10.7
211.02542	2.2
211.05998	1.4
217.05066	0.9
221.08130	1.2
225.07697	59.3
226.08060	3.1
233.08112	0.9
240.47723	0.8
242.13225	0.8
243.03070	1.6
245.04591	0.9
247.02429	1.3
271.04831	1.6
275.02075	1.5
281.04498	0.9
287.05820	0.9
288.06436	0.9
289.07269	3.9
300.99985	4.3
301.07190	0.9
302.00424	0.8
313.05588	11.1
327.08847	2.8
329.06458	1.5
330.07538	1.3
343.08261	2.1
344.09146	3.6
357.09946	1.1
358.10693	8.8
359.11429	16.3
360.12024	0.8
373.13007	17.6
374.13358	2.2
382.29218	0.8
389.12329	6.3
390.12906	1.3
404.14926	9.5
405.15561	2.2
418.16492	1.5
419.17218	67.3
420.17572	6.9
465.06818	12.5
466.07361	2.1
477.10654	2.3
481.06354	3.5
483.18185	1.7
493.13629	1.6
537.17657	1.2
567.19293	1.5
597.23566	51.0
598.23969	9.0
645.15015	8.6
645.24384	3.6
646.14240	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	645.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	3.9
61.98742	0.8
68.10127	0.7
69.90069	0.7
70.75415	2.0
71.01270	3.8
81.03307	0.8
82.95325	0.9
83.01291	2.2
83.02382	0.8
83.54456	0.8
85.02834	1.7
89.02348	1.7
93.03357	1.3
95.01273	1.5
96.95905	3.3
97.02834	2.0
99.31867	0.8
101.02336	1.1
107.01274	1.4
108.02099	1.1
108.46517	0.8
109.02869	7.5
111.00775	1.5
111.04376	0.8
113.02341	1.7
119.04949	2.1
121.02878	2.9
122.03701	3.6
123.00788	3.4
123.04451	5.3
124.01563	2.5
125.02367	11.2
126.02663	0.7
133.02875	1.1
135.04546	1.8
136.01578	2.4
137.02373	31.6
138.03127	2.4
139.00291	1.8
139.03975	2.0
145.02911	3.7
146.03357	0.7
147.04431	0.9
149.02408	2.5
150.03148	1.8
151.00319	3.0
151.03940	6.8
152.01108	1.0
159.04494	1.7
161.02390	3.1
161.06036	2.5
162.03116	2.0
163.00311	1.5
163.03986	5.7
164.01111	4.1
164.04559	1.2
165.01889	100.0
166.02296	4.8
167.03418	1.7
168.00658	1.0
169.01404	9.6
174.03159	1.3
175.03949	4.9
176.04669	1.9
177.01967	1.9
177.05533	3.3
178.02782	1.1
178.06065	0.9
179.03461	20.1
179.07133	1.3
180.04248	47.4
181.04811	3.9
184.03613	1.1
187.03955	2.2
188.04764	1.6
189.05505	3.1
189.34772	0.8
190.06322	5.7
191.03464	1.1
191.07091	4.4
193.05025	3.9
194.05829	9.2
195.06607	61.6
195.39113	0.8
196.06938	3.0
201.05434	0.9
203.07109	5.4
205.05075	3.2
205.08723	5.6
207.06683	6.4
208.07356	2.1
209.08145	3.2
210.05292	8.0
211.05943	0.9
225.07698	47.0
226.08025	2.9
244.07407	1.3
245.08226	1.4
285.04333	1.2
289.07208	5.6
300.99985	5.5
301.02969	0.9
302.00351	1.1
315.01651	1.7
325.27457	1.0
325.99872	1.6
373.20059	0.9
374.13943	1.0
375.14517	1.8
388.15341	1.5
389.16180	35.6
390.16513	3.0
405.15845	1.0
419.17343	1.3
439.25021	1.0
444.03186	0.9
483.24365	4.6
519.96509	0.8
567.19415	2.4
582.21198	0.9
597.23566	35.9
598.23785	6.7
601.30573	1.3
645.15045	7.3
645.29059	36.6
646.16632	0.9
646.29840	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	645.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58719	0.4
59.01273	1.4
59.33920	0.3
61.98712	0.4
65.00214	0.5
67.01797	1.1
68.28010	0.3
69.03360	0.5
69.61266	1.9
69.61678	0.8
71.01284	0.9
78.09822	0.4
83.01283	0.5
88.98737	0.5
89.02354	0.7
89.67281	0.4
93.03341	0.7
95.01286	1.0
96.95913	0.9
97.02874	0.4
98.20543	0.8
101.02339	0.9
101.38145	0.4
107.01299	0.5
107.04989	0.5
108.02042	0.4
109.02865	3.2
109.06924	0.4
111.00809	0.8
113.02349	0.5
117.03374	1.1
119.04926	0.8
121.02896	1.1
122.03584	0.8
123.00777	2.1
123.04431	1.5
123.90256	0.4
124.01617	0.7
125.02381	6.0
126.02742	0.6
130.04236	0.4
135.04431	0.7
136.01587	1.6
137.02376	20.4
138.02831	0.6
139.00291	0.9
139.03932	0.7
140.01003	0.5
145.02885	5.3
147.00829	0.7
147.04471	3.0
148.01596	1.6
149.02393	1.9
150.03212	0.4
151.00317	1.6
151.03920	3.8
152.04626	0.7
153.01845	1.0
153.05515	0.7
158.03670	0.7
159.04391	0.5
161.02388	2.1
161.06009	1.0
162.03191	3.0
163.00325	1.2
163.03958	6.2
164.01102	2.2
164.04691	1.5
165.01889	100.0
166.02364	4.4
166.06334	0.9
167.03200	0.7
169.01399	4.2
173.02419	1.7
173.06087	0.4
174.03207	2.0
175.03972	8.1
176.04713	1.6
177.01962	1.2
177.05525	5.3
178.06230	0.6
179.03465	18.8
179.07071	1.6
180.04248	57.9
181.04950	4.4
182.05469	0.4
187.03880	0.4
188.04762	2.9
189.05524	4.3
190.06320	10.0
191.03482	2.9
191.05353	0.6
191.07101	6.1
192.04315	2.0
193.05011	4.3
194.05833	12.1
195.02992	2.6
195.06609	71.8
196.06940	3.4
203.07152	2.6
205.05148	0.6
205.08693	9.2
206.05844	2.1
207.06627	10.1
208.07385	4.7
209.08136	3.5
210.05324	11.2
211.02370	0.7
211.05948	1.8
221.08177	0.4
222.09018	1.0
223.06143	0.5
223.09834	0.6
225.07695	56.4
226.08090	2.6
243.60364	0.4
245.01176	0.6
273.00336	0.9
275.01971	0.7
289.07239	1.6
300.99969	3.7
302.00491	1.1
303.00677	0.4
313.05917	0.4
313.10931	0.5
315.01413	1.0
315.08731	0.7
316.02213	0.9
343.11990	0.4
357.13416	0.6
371.15051	0.5
374.13803	1.5
375.14432	1.4
387.14645	0.8
388.15332	1.0
389.16156	43.4
390.16479	4.5
401.16119	1.4
419.17258	0.8
456.34390	0.4
461.17920	0.5
465.06750	0.7
492.14258	0.4
507.16650	1.5
508.16327	0.4
519.16998	0.6
522.18939	0.8
537.21558	0.8
549.21307	0.6
552.20233	0.9
567.22479	44.0
568.22693	6.6
579.22229	1.0
597.24054	1.8
598.23145	0.4
615.14978	0.6
615.24670	9.7
616.24597	2.0
627.24243	0.6
645.14813	0.9
645.28693	3.7
646.25916	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59098	0.2
54.05274	0.2
57.03335	0.2
59.01264	2.0
61.98720	1.9
68.35781	0.2
69.03358	0.5
71.01263	1.9
71.43259	0.4
73.02852	0.3
80.02562	0.6
81.03370	0.4
83.01301	0.4
83.04913	1.3
85.02846	0.2
87.00736	0.3
89.02346	1.2
91.05444	0.4
93.03362	1.8
96.04449	0.3
96.95917	1.4
96.96864	0.2
97.02825	0.3
99.05545	0.3
101.02345	1.2
109.02877	0.3
113.02367	0.7
117.03391	5.5
119.04948	100.0
120.05273	4.1
121.02917	0.3
122.03668	0.3
123.04425	0.3
125.02387	1.1
125.09657	0.2
131.35042	0.2
132.05750	0.5
137.02357	1.6
141.01660	0.2
141.18982	0.3
145.02895	29.1
146.03226	1.1
149.02394	0.3
151.03967	0.5
153.12796	0.3
161.02429	0.4
161.04530	0.5
163.03917	0.2
163.11279	1.2
164.01112	0.4
165.01901	2.6
165.12802	0.6
169.01518	0.4
169.12318	1.6
171.10219	0.6
179.03487	0.5
179.05554	0.2
184.63571	0.2
197.11824	28.2
198.12161	1.8
199.13307	0.4
201.11346	0.9
202.08583	0.2
203.06952	0.3
205.04991	0.3
209.11830	33.7
210.12167	2.5
219.11307	0.2
223.13513	0.5
227.12907	5.7
228.13284	0.3
235.08179	1.0
253.09360	3.1
289.07333	0.4
316.16760	0.4
330.21954	0.4
334.89862	0.2
341.11151	0.3
347.24527	3.1
348.25043	0.3
348.41681	0.2
356.19882	1.0
357.20053	0.2
373.22528	5.8
374.22739	0.6
399.20477	4.7
400.20734	0.6
407.24460	0.3
433.20648	1.1
445.20889	0.5
445.51059	0.2
463.21954	0.3
480.33005	0.3
481.22104	0.3
493.28326	1.3
497.35202	3.8
498.35217	0.4
523.33026	40.1
524.33307	7.5
625.32550	0.5
643.28076	5.1
643.38727	45.3
644.28217	1.1
644.39032	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	643.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35214	0.2
56.09404	0.2
57.03326	0.3
58.50610	0.2
59.01266	3.2
61.24102	0.2
61.98717	2.1
66.54705	0.2
69.03327	0.7
71.01274	3.2
71.19933	0.2
71.96540	0.2
72.99185	0.3
73.02830	0.5
73.36565	0.2
80.02575	1.0
81.03354	1.2
83.01279	0.9
83.04913	4.8
84.02056	0.9
85.02842	0.8
87.00771	0.6
88.98681	0.3
89.02341	2.1
93.03355	0.7
95.04916	0.7
96.95893	0.4
97.02834	0.4
97.06477	0.3
99.00742	0.2
99.04457	0.3
101.02352	3.2
109.06495	0.2
113.02357	1.5
117.03394	1.9
119.04947	33.7
120.05239	1.0
121.06516	0.2
123.04387	0.2
125.02364	0.7
125.05973	0.4
125.09621	0.3
127.03896	0.3
133.02879	0.4
135.08069	0.6
137.02356	0.5
141.09135	0.2
143.03436	0.2
145.02898	9.1
146.03224	0.3
151.11212	0.3
153.09146	0.3
153.12820	1.1
161.02388	0.9
161.04538	1.1
163.09999	0.3
163.11256	3.3
165.01917	0.6
165.12833	2.5
169.01387	0.6
169.12294	4.1
171.10210	0.9
179.03412	0.3
179.05476	0.4
179.10793	0.6
181.12326	0.6
185.11833	0.2
188.07013	0.2
191.10745	1.1
197.11815	68.3
198.12123	3.8
199.13338	0.6
201.11237	0.2
209.11823	100.0
210.12167	7.0
211.13374	0.5
212.13936	0.3
227.12889	13.9
228.13239	0.7
235.08220	2.3
235.13345	0.6
253.09337	7.8
254.09689	0.5
330.22098	0.2
347.24493	1.0
356.19687	0.3
373.22498	2.0
389.23477	0.3
399.20462	1.6
407.24316	0.3
433.20938	1.8
445.20773	1.7
463.21960	0.3
491.32999	0.2
493.28506	0.5
495.40622	0.2
497.35104	1.2
523.33014	14.2
524.33209	2.0
607.31665	0.7
608.31738	0.2
625.32874	0.8
643.29639	0.7
643.38959	14.3
644.39215	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	643.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03348	0.6
58.00477	0.5
59.01267	9.7
61.98720	0.4
69.03355	0.8
69.57492	0.8
69.57893	1.7
71.01272	6.7
72.99208	0.8
77.03836	0.4
79.95647	0.4
81.03341	0.4
83.01278	4.1
85.02845	1.8
87.00775	0.4
89.02339	4.8
93.03355	2.8
95.01302	1.8
95.04916	0.6
96.95914	1.0
97.02849	4.3
101.02352	3.5
106.80498	0.3
107.01267	0.3
108.02045	1.5
109.02873	8.6
110.03219	0.4
111.00825	0.3
111.04466	0.3
113.02360	1.9
116.92781	0.5
119.03391	1.4
119.04950	0.3
121.02870	5.3
122.03662	9.2
123.00793	1.5
123.04465	6.2
124.01590	3.8
124.04785	0.4
125.02383	5.1
128.03558	0.3
133.02902	0.6
134.03612	0.3
135.04449	2.5
136.01599	1.0
137.02379	29.6
138.03197	1.7
139.00366	0.5
139.03949	2.2
145.02905	0.8
146.03697	1.6
147.04483	0.6
148.05154	0.4
149.02382	4.3
149.05995	0.5
150.03197	3.0
151.00272	0.7
151.03961	3.6
152.01102	0.3
154.02679	2.0
158.03757	0.5
159.04465	2.2
159.95171	0.3
160.01579	0.3
160.05234	0.5
161.02423	2.4
161.06007	4.9
162.03160	1.2
163.00339	1.0
163.03969	2.3
164.01122	5.9
164.04732	0.4
165.01892	43.3
165.05550	1.2
166.02238	1.8
166.99753	0.3
168.00671	0.5
169.01399	3.6
170.01750	0.4
173.06024	0.6
175.03940	2.0
175.07724	0.4
176.04732	0.3
177.01839	0.6
177.05544	2.4
178.02574	0.6
178.06277	0.3
179.03445	5.3
180.04164	1.0
181.04974	0.3
183.10268	0.4
185.06064	0.3
187.04004	2.3
188.04698	0.8
189.01843	0.5
190.02719	0.3
190.99872	2.7
191.03342	0.5
192.03694	0.2
193.01299	0.3
195.06567	1.4
201.05568	1.3
202.06306	0.8
203.03526	0.7
203.05382	0.6
203.07137	6.9
204.04222	1.3
204.07393	0.5
205.05051	10.6
206.02197	1.2
206.05396	0.5
215.07211	0.4
217.01349	0.4
221.04524	1.3
225.07657	0.9
227.07118	0.3
229.05135	0.8
231.03050	1.4
240.08347	0.4
243.06721	0.4
244.07451	1.7
245.08191	0.7
247.06194	1.5
247.10271	0.3
270.05234	0.5
271.06329	0.4
273.00531	0.5
275.01950	0.5
288.06488	1.9
289.07153	0.7
300.99948	2.4
302.00281	0.3
311.16440	0.3
377.21112	0.3
395.22278	1.2
419.22443	3.8
420.22760	0.4
437.23206	0.6
463.21225	1.3
479.23178	1.4
481.22437	3.7
482.22482	0.4
491.22873	1.3
492.22736	0.4
519.22314	0.4
521.24011	0.5
533.23785	0.8
599.28973	2.0
630.13263	0.4
643.27734	100.0
644.28052	16.9
671.19861	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.9
57.28732	0.3
58.00460	0.3
59.01262	7.3
65.03815	0.4
67.01777	0.4
69.03342	0.6
69.64782	1.2
69.65194	0.9
70.22259	0.3
71.01271	6.3
72.99173	0.8
73.02833	0.5
77.03876	0.5
77.79824	0.4
79.01789	0.4
81.03344	0.7
83.01283	4.1
83.04898	0.3
85.02842	1.4
88.98695	0.3
89.02336	4.2
90.78336	0.3
93.03383	2.1
95.01272	1.9
95.04933	0.8
96.95924	0.7
97.02857	4.2
98.20491	0.7
101.02350	3.3
107.01286	1.5
107.04963	0.4
108.02083	1.6
109.02864	8.4
111.00795	1.0
113.02374	2.3
117.03359	0.5
119.03403	0.9
119.04941	0.5
120.02075	0.3
121.02894	4.3
122.03655	7.0
122.33742	0.3
123.00827	2.4
123.04459	6.5
124.01596	4.0
125.02374	14.0
126.02701	0.7
127.00298	0.8
133.02892	0.5
135.04425	1.4
136.01587	1.1
137.02383	25.6
138.03267	1.8
139.00281	0.6
139.03963	2.3
140.01118	0.5
145.02898	1.4
146.03673	1.5
147.04472	0.4
148.01605	0.3
149.02382	4.0
150.03188	1.9
151.00288	0.7
151.03990	3.6
153.01984	0.4
154.02684	1.7
154.99832	0.7
159.04480	1.9
161.02417	2.5
161.06021	4.0
162.03156	1.5
163.00281	1.4
163.03969	1.4
164.01103	4.8
165.01894	35.9
166.02283	1.4
166.99811	0.6
168.00554	0.7
169.01390	10.5
173.02380	0.3
173.06085	0.7
175.03961	1.8
175.07652	0.6
177.01923	0.9
177.05556	1.9
178.06076	0.5
178.57088	0.3
179.03493	4.3
180.04111	0.4
187.03963	2.2
188.04745	1.2
189.05452	0.6
190.02589	0.3
191.03456	0.7
191.05598	0.4
193.01515	0.4
201.05566	1.4
202.06270	0.8
203.03500	0.9
203.07132	6.1
204.04187	1.0
204.07301	0.4
205.05046	10.4
206.05382	0.5
211.02423	0.5
215.06940	0.4
217.01538	0.5
229.01360	0.5
229.05115	0.8
231.02995	1.4
243.06573	0.4
244.00301	0.3
244.07433	1.2
245.08139	0.7
247.02438	0.7
247.06174	1.8
248.56888	0.3
253.05222	0.4
257.00922	0.5
269.98065	0.9
270.98987	2.5
273.00543	0.6
273.07770	0.7
275.02072	0.9
285.00394	1.5
285.97647	0.5
286.01135	0.4
288.06464	1.8
289.07233	1.4
297.97659	3.1
298.98444	3.4
299.03934	0.4
299.99173	2.0
301.00009	3.3
303.04907	0.5
313.00012	5.5
313.05695	1.6
313.97440	0.6
314.00739	4.1
315.01416	1.1
315.04959	0.7
328.02316	4.2
329.03040	5.1
330.03381	0.7
333.06186	0.4
343.04645	6.0
344.05048	0.8
395.22266	1.0
419.22418	3.3
420.22464	0.5
463.21161	0.7
464.18256	0.6
477.06979	0.6
479.22931	1.2
481.22580	1.6
491.08633	1.7
491.22888	1.7
492.23785	0.5
493.24380	0.5
533.24121	0.6
599.28833	1.2
613.19751	0.9
625.19501	0.4
643.09937	6.0
643.27832	100.0
644.10059	1.6
644.28204	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	643.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.4
57.08144	0.7
59.01260	12.6
60.72573	0.8
61.98719	8.4
62.33167	0.8
69.03339	1.6
71.01270	8.4
71.56569	0.9
72.99199	1.3
73.02851	1.0
78.95783	2.2
81.03348	0.9
83.01276	2.8
83.04907	2.3
85.02864	2.7
87.00777	1.2
89.02340	5.7
93.03345	1.9
95.01280	1.1
96.95917	24.1
96.96866	2.2
97.02852	4.2
101.02374	6.4
108.02094	1.1
109.02855	6.3
113.02378	3.9
117.03388	6.7
119.04948	100.0
120.05277	3.3
121.02841	3.0
122.03647	5.9
123.04456	6.6
124.01565	1.7
125.02353	7.0
135.04391	1.2
137.02385	17.0
138.03085	1.6
139.03989	1.5
145.02892	30.5
146.03641	1.8
147.04492	1.0
149.02385	5.4
149.06168	0.8
149.42566	0.8
150.03065	1.2
151.03925	2.9
153.12766	1.2
154.02646	1.5
161.02365	2.7
161.04562	1.4
161.06000	2.7
162.03108	1.1
163.03783	0.8
163.11267	1.0
164.01071	3.0
165.01889	26.5
165.09109	1.1
169.01329	3.5
169.12276	2.4
171.10266	1.0
179.03481	3.1
187.03972	1.1
197.11813	44.4
198.12088	1.6
199.13405	1.3
201.05617	1.3
203.07158	4.7
205.05046	5.5
209.11824	37.7
210.12135	1.5
211.13405	0.8
227.12877	9.8
235.13380	1.2
245.08138	1.5
247.06161	1.0
253.09312	5.3
271.06082	1.2
288.06592	1.3
289.07266	2.4
301.07144	1.0
311.16690	0.9
339.15768	0.8
347.24640	1.9
355.25089	1.1
373.22720	4.9
399.20523	5.3
419.22305	2.5
433.20837	2.7
463.21393	2.4
491.23157	4.1
493.28128	1.5
497.34952	4.1
523.33002	41.0
524.33197	3.5
643.27649	89.6
643.38757	47.1
644.28021	16.3
644.38947	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	643.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16873	0.7
57.03327	3.0
58.00491	0.6
59.01268	13.8
60.26313	0.7
61.98718	7.5
68.20686	0.7
69.03344	1.6
71.01266	8.5
71.60505	0.8
72.99191	1.1
73.02842	1.0
79.01807	0.7
81.03332	1.4
83.01276	5.0
83.04930	1.0
85.02831	3.0
87.00784	0.7
88.98717	0.8
89.02356	5.4
93.03351	2.0
95.01260	1.9
95.04920	1.4
96.95932	3.1
96.96880	0.7
97.02838	4.9
99.00786	0.8
101.02357	4.8
107.01241	0.7
109.02859	10.4
111.00781	1.5
113.02348	2.9
117.03294	1.1
119.03434	1.3
119.04967	3.3
121.02868	4.9
122.02946	0.8
122.03674	9.9
122.06003	2.3
123.00789	1.5
123.04445	10.4
124.01556	2.4
125.02366	15.4
127.00232	1.0
133.02797	0.9
135.04454	1.4
137.02382	32.9
138.03072	1.8
139.03915	3.0
145.02911	5.0
146.03601	2.0
147.04431	0.8
149.02400	5.0
150.03084	1.2
151.00331	1.0
151.03963	4.5
152.07117	2.4
154.02667	1.6
159.04517	3.3
160.01585	1.2
161.02374	2.9
161.04640	0.7
161.06038	4.1
162.03165	2.2
163.00319	0.7
163.03931	2.4
164.01109	6.2
165.01892	50.5
166.02234	1.8
167.03525	0.8
169.01352	2.5
169.12292	1.2
171.10150	1.6
174.01703	0.7
175.03989	2.1
177.01826	0.9
177.05501	1.2
179.03461	6.3
183.04506	0.8
185.06122	0.8
185.11786	1.0
186.52524	0.7
187.03969	3.3
188.04776	1.1
189.01981	0.9
190.02473	0.7
195.06612	1.4
197.11810	15.5
198.12177	0.9
200.97394	0.7
201.05545	2.7
203.03473	0.6
203.07124	8.0
205.05060	8.8
209.08177	0.8
209.11845	11.4
223.08588	0.8
227.12897	2.9
229.05113	0.9
231.02846	1.0
244.07320	2.4
245.08228	4.1
247.06169	2.0
253.05115	1.5
253.09120	1.0
271.06238	4.8
279.11328	0.9
288.06436	2.7
289.07242	15.5
290.07651	0.7
300.99945	0.8
327.25470	1.2
339.16080	1.1
341.23315	1.3
371.24466	36.3
372.24646	2.8
419.22336	2.3
420.78000	0.9
437.23291	0.9
439.30670	0.7
448.18604	0.9
463.21375	1.8
463.31027	2.5
467.12534	1.1
481.22064	1.1
481.23914	1.1
481.31799	15.5
482.32040	1.0
488.18405	0.7
491.23062	1.1
493.28137	2.4
505.27713	0.8
520.20850	1.1
521.24286	0.8
523.33356	1.0
527.48639	0.8
583.34619	0.8
599.29480	1.5
611.24738	1.0
643.27692	100.0
643.36292	3.5
644.28217	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	643.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.8
58.00478	0.5
58.41095	0.5
59.01262	8.2
61.98706	0.6
68.99700	0.4
69.03352	1.1
71.01269	5.6
71.56510	0.6
72.99210	0.7
73.02846	0.6
75.52798	0.3
77.03885	0.4
78.95798	0.5
79.01758	0.4
83.01279	3.9
85.02845	1.4
87.00800	0.4
89.02340	4.2
91.11965	0.3
93.03362	1.8
95.01309	1.8
95.04911	0.7
96.95920	1.7
97.02857	4.3
101.02351	3.2
107.01306	0.8
107.04936	0.5
108.02081	1.1
109.02857	9.2
110.03273	0.4
111.00829	0.5
113.02396	2.3
113.03040	0.4
119.03439	1.1
119.04965	0.8
121.02884	5.0
122.03654	7.3
122.36259	0.3
123.00826	2.6
123.04459	7.0
124.01591	3.7
125.02380	7.6
126.02679	0.5
133.02899	0.5
134.03596	0.4
135.04451	2.0
136.01585	1.1
137.02379	27.5
138.03094	1.4
138.39726	0.4
139.00298	1.1
139.03961	2.3
140.01044	0.4
141.01778	0.5
145.02914	1.5
146.03659	1.4
149.02400	3.9
149.06017	0.5
150.03224	1.7
150.06743	0.7
151.00284	1.0
151.03983	4.1
153.01913	0.5
154.02649	2.1
159.04433	1.4
161.02373	2.6
161.04657	0.6
161.06020	4.4
162.03183	1.4
163.00363	0.6
163.03969	1.9
164.01097	6.0
164.04663	0.6
164.08395	0.4
165.01891	39.2
165.05524	1.1
166.02313	1.5
168.00609	0.6
168.04285	0.5
169.01392	6.2
173.02414	0.3
173.06023	0.6
175.02676	0.3
175.03946	2.1
177.01871	1.2
177.05545	2.3
178.02600	0.6
179.03464	4.6
187.03990	1.9
188.04707	1.2
189.01904	0.5
190.06157	0.4
191.03545	0.8
193.01315	0.5
193.04964	0.4
195.06593	0.5
201.05507	1.3
201.11295	1.1
202.06381	1.2
203.03445	0.7
203.07133	7.3
204.04298	0.8
205.05055	9.4
206.05412	0.4
207.06628	0.4
208.03889	0.5
209.11865	0.5
217.01225	0.5
217.05191	0.4
223.06136	0.9
225.05643	0.4
231.02986	1.6
241.08783	0.4
244.07492	1.4
245.08113	0.8
247.06209	1.8
270.05505	0.3
270.98892	1.2
273.00531	0.4
287.05472	0.4
288.06412	2.1
289.07141	1.8
298.98550	1.0
299.16739	0.4
300.99969	2.9
302.00278	0.9
311.22620	0.5
313.05676	0.7
314.00839	1.1
329.23514	1.1
357.17279	0.5
371.17252	0.5
377.20880	0.5
395.22205	0.8
419.22568	2.9
437.23743	0.6
463.21658	0.7
479.23019	1.9
481.17859	3.9
481.22394	9.4
482.18033	0.5
482.22934	1.4
491.23062	2.5
491.28842	2.6
493.24588	0.6
599.28625	1.7
643.27881	100.0
644.28113	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	643.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.7
58.00484	0.6
59.01268	11.0
61.98725	4.4
69.03344	1.1
71.01270	8.7
71.10030	1.3
72.99193	1.3
73.02834	0.8
73.48280	0.6
77.03870	0.6
77.86916	0.5
79.63849	0.5
81.03330	0.6
83.01283	3.9
83.04916	0.5
85.02840	3.0
87.00768	0.7
88.03129	0.5
88.75484	0.5
88.98714	0.5
89.02343	4.2
93.03374	1.5
95.01244	1.1
95.04941	0.8
96.95919	1.3
97.02858	3.6
101.02344	4.7
108.02057	2.0
109.02852	7.3
111.00815	0.6
113.02372	2.6
117.03382	0.7
119.03410	1.4
119.04939	1.0
121.02868	4.0
122.03662	10.4
122.04546	0.7
123.00778	1.5
123.04468	5.6
124.01588	3.7
125.02380	6.4
135.04503	2.5
136.01587	1.4
137.02376	34.9
138.03181	2.6
139.03934	1.5
141.01649	0.8
145.02852	2.1
146.03654	1.0
149.02368	4.5
150.03183	1.3
151.03979	3.2
153.01927	0.6
154.02696	2.5
159.04416	1.5
161.02406	1.6
161.06047	3.9
162.03136	1.6
163.03917	2.0
164.01096	6.8
165.01894	53.8
166.02226	2.5
169.01382	4.4
175.03938	1.4
177.01810	1.5
177.05513	1.3
179.03476	5.6
179.05038	0.6
179.05644	0.6
181.05002	0.9
187.03946	2.3
188.04755	1.0
189.01933	0.8
190.02541	1.0
191.03297	0.6
197.11803	5.9
201.05557	2.2
202.06352	1.2
203.03520	0.8
203.07094	5.7
205.05057	6.4
209.11821	7.0
211.02417	0.7
217.01424	0.8
227.12904	1.0
231.03079	1.2
244.07378	3.1
245.08141	1.5
247.06151	1.3
253.09209	0.7
288.06577	2.6
289.07214	2.1
299.16501	1.0
300.99658	0.9
311.16629	1.4
312.16806	0.7
313.05835	0.8
338.64294	0.6
339.16318	0.6
340.45203	0.6
353.73798	0.6
388.86301	0.6
419.22311	1.4
420.23419	0.7
445.29877	1.2
459.09720	0.7
463.30798	0.9
479.22824	1.7
481.22552	1.5
491.22964	13.8
491.29547	1.3
492.23715	1.4
599.28796	2.1
600.29657	0.7
643.27734	100.0
643.36285	3.8
644.18048	0.9
644.28149	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	643.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.6
59.01270	4.7
59.02800	0.5
61.31521	0.6
61.98724	5.1
67.01785	1.1
69.30555	3.9
69.30968	1.6
71.01270	2.6
72.78008	0.6
83.01286	1.3
85.02858	1.6
89.02339	1.3
93.03401	0.7
95.01308	0.8
95.04926	0.7
96.95933	2.2
97.02881	1.2
99.00798	0.5
101.02381	2.6
107.01344	1.0
107.04947	0.8
108.02059	0.9
109.02877	3.9
111.00810	0.6
113.02342	1.1
116.92776	2.2
119.04970	2.3
119.47752	0.5
121.02888	1.3
122.03680	1.9
123.00806	2.9
123.04437	3.4
124.01598	1.5
125.02377	9.3
128.55777	0.5
133.02898	0.7
135.04442	1.5
136.01614	1.5
137.02380	23.5
137.03453	1.2
138.03098	0.5
139.00316	1.0
139.03998	0.9
140.01057	0.5
145.02911	1.2
149.02371	1.7
150.03188	0.8
151.00354	2.9
151.03947	3.7
154.02739	0.7
159.04468	1.3
161.02415	1.5
161.06065	1.3
162.03107	0.6
163.00279	0.6
163.03967	2.3
164.01112	3.3
165.01891	100.0
166.02594	7.9
167.03346	1.0
168.00618	1.4
169.01411	8.1
175.03937	1.2
177.01854	0.9
179.03473	15.0
180.04256	48.3
181.05025	8.6
182.71698	0.7
187.04044	1.1
189.01891	1.1
194.05884	1.9
195.02940	2.3
195.06616	73.3
196.06999	3.0
197.11826	1.2
201.05537	0.7
203.03474	1.0
203.07150	1.9
205.05083	2.6
209.11859	1.8
210.05324	10.5
211.02524	1.6
217.01443	0.6
220.07353	0.6
225.07703	71.5
226.07997	3.8
241.05083	0.5
264.75705	0.6
271.04639	1.3
288.06247	0.6
289.07266	2.9
299.99258	0.8
300.99997	1.9
313.05618	1.3
329.23550	0.8
331.06842	1.0
341.06516	0.6
387.10623	1.0
387.14651	4.7
388.15045	0.6
402.13281	0.8
417.15582	11.1
418.15948	2.2
463.30853	1.2
466.27145	0.6
481.18890	2.0
481.31448	0.6
491.22906	1.9
491.29221	1.2
563.21368	5.4
581.14423	1.4
581.22852	0.8
595.21912	2.3
596.22296	0.7
643.28064	22.8
643.36462	2.3
644.28784	5.2
644.38098	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07351	0.4
53.41634	0.4
59.01265	1.8
61.98713	0.9
67.01790	0.8
71.00160	0.8
71.01272	1.3
81.03363	0.4
83.01301	0.7
87.18217	0.4
89.02343	0.8
93.03400	0.8
95.01279	0.7
96.95915	0.7
97.02862	0.5
101.02347	0.7
102.60085	0.4
107.04944	0.5
108.02092	0.5
109.02861	4.2
116.92797	0.4
119.04977	1.1
121.02895	1.1
122.03674	1.4
123.00793	1.7
123.04456	1.9
124.01591	0.9
125.02382	3.6
135.04448	0.9
136.01553	1.9
137.02380	26.1
138.02817	0.6
139.00330	0.5
139.03978	1.3
145.02844	0.9
147.00804	0.7
149.02379	1.3
150.02092	0.4
150.03130	2.0
151.00310	4.9
151.03943	4.5
152.01056	0.9
152.04733	1.3
153.01857	0.8
153.05464	0.4
159.04424	0.8
161.02443	1.1
162.03206	0.9
163.03944	1.2
164.01086	2.8
164.04803	0.4
165.01886	100.0
165.05504	3.6
166.02672	17.3
167.03419	2.5
168.00667	0.5
169.01401	1.9
175.03989	1.7
176.04736	0.4
177.01860	1.6
177.05547	1.2
177.77679	0.4
178.02654	0.9
179.03465	20.3
179.07045	0.7
180.04247	52.9
181.05013	17.9
182.05389	0.9
184.03751	0.7
187.03966	2.1
189.01892	0.5
190.02692	0.8
190.06294	0.7
191.03442	0.4
192.04245	0.8
193.05045	1.2
194.05807	3.7
195.02994	2.6
195.06610	73.0
196.06949	3.5
200.12474	0.4
202.06300	0.5
203.07172	1.1
204.04343	0.7
205.05077	4.4
206.05685	0.7
207.06615	1.0
210.05336	11.7
211.05696	0.8
219.06647	0.5
220.07404	2.7
221.08203	0.8
225.07697	51.5
226.08061	3.0
235.09753	0.7
241.05052	0.4
281.04483	0.4
289.07336	0.9
297.04108	0.4
300.99805	0.6
303.93567	0.4
329.23364	0.6
339.08716	0.4
341.10330	0.4
345.09875	0.6
359.11523	2.3
363.02466	0.4
369.10031	0.7
371.11414	1.0
372.11996	0.7
386.13837	1.1
387.10776	2.5
387.14996	6.2
388.15277	0.6
389.69608	0.4
402.13336	1.5
403.14063	1.9
416.14746	1.3
417.15613	26.3
418.15927	3.8
481.22928	3.2
491.28662	0.7
535.16376	0.5
565.21735	1.9
577.20557	0.7
580.19604	1.3
595.22021	37.2
596.22406	7.9
612.77081	0.4
643.28595	8.1
643.72974	0.5
644.28613	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	1.2
59.01258	4.9
61.98720	3.9
67.01778	0.7
69.03353	2.2
71.01270	6.0
71.60482	0.9
72.99191	1.1
73.02848	0.7
78.95803	1.4
80.44952	0.5
81.03350	0.8
83.01308	1.6
83.31387	0.6
85.02850	2.8
87.00764	0.9
88.98721	1.1
89.02345	2.1
93.03360	0.7
95.01287	2.5
96.95930	1.7
97.02867	2.0
97.06493	0.5
101.02368	2.3
107.01299	8.4
107.04977	0.6
109.02859	3.1
111.00816	2.5
111.59392	0.5
113.02361	2.2
117.03376	21.9
118.03729	0.6
119.04940	5.5
121.02858	1.1
122.03629	0.6
123.00800	9.0
123.04485	2.5
124.01592	2.2
125.02368	60.3
126.02712	1.3
127.00306	1.4
135.04498	1.0
135.08098	1.5
136.05222	0.9
136.98738	1.4
137.02393	4.5
139.00313	3.3
139.03894	0.6
140.01099	3.8
141.01790	1.6
143.03409	1.0
145.02885	49.0
146.03229	2.0
149.02385	1.5
150.03210	0.6
151.00290	5.9
151.03978	1.7
151.07626	0.8
153.01888	0.9
159.04431	0.9
161.02330	1.4
163.03972	3.8
164.01125	0.8
165.01907	3.9
165.09229	1.1
166.99860	0.8
167.03499	1.3
168.00598	12.5
169.01378	86.6
170.01675	3.3
175.03938	0.7
177.01881	1.6
177.81812	0.5
179.03569	1.2
183.10240	1.4
187.04013	1.0
189.01935	0.5
191.03502	1.0
193.01436	1.3
193.05135	0.6
197.11826	2.6
203.07089	0.9
205.01360	0.5
205.05037	1.3
209.11807	2.0
211.02473	46.9
212.02818	2.0
217.01575	0.6
221.04523	4.4
223.02412	0.8
227.12753	0.7
227.81914	0.6
229.05208	0.7
241.03453	3.6
252.24701	0.5
253.03636	1.1
253.09238	0.5
271.04636	44.6
272.04935	2.5
289.07224	2.2
295.04654	3.5
296.05484	0.6
297.06076	2.5
299.05527	0.5
313.05695	15.2
314.06293	1.0
329.17538	0.7
341.06696	0.5
371.24463	1.3
437.14410	2.4
441.08286	0.8
445.29459	0.6
459.09402	4.1
460.10117	0.5
463.30615	1.1
479.15671	18.1
480.15973	2.1
481.19189	0.9
481.22192	0.9
481.32007	3.0
497.16803	25.5
498.17197	3.0
583.34875	1.0
606.38843	1.1
643.20361	100.0
643.28986	5.4
643.36163	2.7
644.20764	17.9
644.29749	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12280	0.3
59.01261	1.3
61.98716	0.8
69.03348	0.6
69.37522	1.0
69.37944	2.0
71.01258	1.1
85.02853	0.5
89.02341	1.1
101.02347	1.4
109.17887	0.3
113.02354	0.4
125.02349	0.4
133.04903	0.4
138.80925	0.3
161.04520	1.2
183.13892	6.1
184.14265	0.3
193.12303	1.9
211.13390	100.0
212.13727	6.1
235.08232	1.6
253.09328	3.7
429.21317	0.9
447.22470	5.4
448.23013	0.5
623.34399	0.7
641.34845	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.4
59.01261	0.6
67.01769	0.6
69.03352	0.9
69.26880	4.0
71.01275	2.7
73.02839	0.6
79.01765	0.6
81.03274	0.4
81.49088	0.3
83.01289	0.6
85.18281	0.3
95.01254	0.6
97.02850	0.9
98.20541	0.8
101.02325	1.0
107.01308	5.8
111.00795	0.8
113.02374	0.6
123.00815	4.7
124.01616	0.6
125.02375	31.9
126.02702	1.4
127.00298	0.5
136.98744	0.4
137.02333	0.7
137.75679	0.4
139.00305	1.2
139.03932	0.6
140.01076	1.0
141.01854	0.6
143.01207	0.3
151.00313	2.8
151.03894	0.6
165.01889	0.6
166.99841	0.4
167.03329	0.5
168.00580	1.6
169.01384	34.4
170.01738	1.3
172.01685	0.5
183.02919	0.9
193.01488	0.5
200.01085	0.6
211.02463	1.0
227.28108	0.4
228.00629	0.9
239.49617	0.4
241.03612	0.8
242.99374	2.1
244.00145	0.8
257.00955	0.4
258.01688	1.9
269.98172	2.7
270.00729	0.5
270.98907	35.6
271.99353	2.9
282.99005	0.9
283.02606	0.4
283.99680	2.8
285.00500	7.1
286.01224	3.9
297.97638	5.8
298.98404	51.5
299.99149	38.9
300.99762	5.8
312.97128	0.3
313.00061	14.0
313.05688	23.1
314.00757	55.7
314.05872	1.9
315.01471	25.5
316.01758	2.3
328.02353	1.5
329.03107	15.7
330.03442	2.1
343.00717	0.4
444.03619	0.4
459.05420	0.6
477.06845	3.8
478.06937	0.8
611.06891	0.5
628.06818	1.2
643.09576	100.0
644.09918	18.4
657.76654	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01272	1.3
61.98713	0.3
67.57354	0.1
69.03336	0.2
70.66260	0.2
70.66625	0.2
71.01279	1.4
72.99198	0.1
73.02837	0.4
83.01274	0.1
83.04909	0.3
85.02835	0.3
87.00791	0.3
89.02351	1.0
99.00781	0.1
101.02357	1.6
111.43980	0.1
113.02386	0.6
115.03905	0.1
119.03405	0.2
125.02386	0.3
145.05052	0.1
155.10776	0.1
161.04491	0.5
165.12866	0.3
167.10733	0.5
167.14410	0.5
169.01378	0.1
179.05537	0.3
182.27879	0.1
183.13876	6.3
184.14244	0.3
193.12326	1.9
194.12566	0.1
211.13393	100.0
212.13728	5.4
213.77170	0.1
235.08276	1.9
253.06688	0.2
253.09340	4.3
311.84433	0.1
387.25504	0.4
388.26263	0.1
405.26550	0.4
429.21420	0.6
447.22455	5.6
448.22736	0.5
587.22253	0.1
597.33136	0.1
623.34558	0.9
624.34613	0.1
641.35266	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98640	0.6
61.98732	0.9
62.96285	0.7
71.41177	1.4
72.09349	0.6
78.95795	100.0
80.02570	1.5
81.03369	1.4
83.04916	6.1
84.02091	0.8
95.04940	1.1
96.96867	10.0
99.87497	0.6
123.79476	0.7
134.98438	1.5
135.08084	1.0
150.98001	0.9
152.99530	66.6
163.11266	3.9
165.12856	3.3
171.00571	1.1
181.12305	0.9
191.10681	0.9
209.11824	75.2
210.12186	4.6
211.13332	2.4
227.12895	10.6
236.08667	0.7
277.21802	33.7
278.22168	2.5
363.12219	45.1
364.12622	3.3
381.13269	10.4
382.13464	1.0
384.56250	0.7
413.21005	7.7
431.22256	4.3
639.10388	0.9
641.34760	40.5
642.35162	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	641.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01795	0.1
57.03319	0.1
57.21626	0.1
58.00493	0.1
59.00987	0.1
59.01262	1.5
61.98708	0.3
69.03326	0.4
69.83580	0.2
69.83979	0.5
70.77781	0.1
71.00890	0.1
71.01272	1.7
72.99178	0.1
73.02824	0.3
73.57874	0.1
81.03362	0.1
83.01256	0.2
83.04922	0.2
85.02822	0.4
87.00769	0.3
89.02324	0.9
91.03865	0.1
94.97639	0.1
95.01259	0.2
96.95936	0.1
99.00801	0.1
101.02357	1.5
110.41192	0.1
111.08086	0.2
113.02352	0.8
119.03394	0.3
125.02328	0.1
133.04993	0.1
143.03444	0.1
145.05013	0.1
155.10674	0.2
161.04488	0.6
163.87228	0.1
165.12785	0.3
167.10742	0.2
167.14348	0.7
179.05574	0.3
181.12415	0.1
183.13870	6.5
184.14201	0.4
193.12314	1.7
211.13382	100.0
212.13724	5.9
223.13480	0.1
235.08264	1.5
253.06689	0.2
253.09334	3.6
254.09737	0.1
387.25470	0.5
404.55569	0.1
405.26654	0.4
429.21405	0.9
430.21704	0.1
447.22452	6.5
448.22833	0.8
510.02307	0.1
597.33026	0.2
623.34485	1.3
624.35114	0.3
641.36047	0.5
642.36041	0.2
642.71790	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	641.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20499	0.5
54.22022	0.6
59.01277	0.8
63.59705	0.5
70.85132	1.4
78.95795	100.0
81.03381	0.7
83.04900	2.2
95.13358	0.6
96.96869	8.1
119.93374	0.6
134.98439	1.2
135.08052	0.7
144.00677	0.7
150.97986	0.9
152.99529	55.0
161.78969	0.6
163.11188	1.4
165.12820	1.1
171.00604	0.7
181.12140	0.6
209.11812	26.5
210.12103	1.3
211.13409	2.0
227.12900	6.9
277.21783	55.0
278.22171	4.3
363.12225	16.2
364.12430	0.9
381.13287	2.7
413.15631	1.4
413.21112	23.3
414.21503	2.4
431.22144	12.5
432.22531	1.6
548.59998	0.7
641.34729	42.7
642.34857	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	641.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.3
65.00213	2.6
71.39484	1.8
81.80605	1.1
94.64260	1.0
95.01302	2.0
99.00768	1.5
105.78497	1.2
107.01270	3.3
109.02854	1.2
110.00021	7.5
111.00787	4.4
123.00823	5.4
124.01546	1.5
124.98724	1.6
125.02380	10.0
134.68059	1.1
136.01599	1.3
136.98729	1.6
137.02336	2.8
137.99493	3.5
139.00317	12.8
140.01077	1.7
141.98958	1.5
151.00302	10.2
151.03909	1.5
152.01118	5.6
153.01840	2.6
158.03748	1.3
159.04430	2.5
161.02412	4.4
163.00302	3.9
164.01102	2.3
165.01860	2.9
165.99016	9.8
166.99788	4.4
168.00464	1.4
169.01357	8.5
171.04427	1.2
173.02386	2.2
175.03860	2.4
177.01871	4.3
178.99823	15.3
180.00479	1.6
181.01303	1.1
187.03955	4.8
189.01894	3.1
190.02708	2.7
191.03442	2.9
191.05525	1.7
192.00665	2.3
193.01474	1.7
193.98460	1.2
199.04027	1.9
201.01808	2.1
203.03459	7.3
205.01410	3.0
206.99399	1.6
208.00125	1.5
209.00801	1.8
213.01762	1.1
214.02597	1.7
215.03499	7.3
217.01404	2.5
217.05075	1.2
218.02223	1.7
219.02940	3.7
220.03529	1.1
221.00784	1.5
224.53909	1.2
227.03590	1.4
229.01451	2.8
230.02156	3.5
231.03108	5.6
232.03603	1.7
233.00972	2.3
242.02347	2.0
243.03040	10.4
245.00948	2.6
247.02522	2.3
258.01715	4.3
259.02463	10.0
269.00922	1.4
271.02536	11.9
272.02866	1.7
275.01993	4.0
286.01187	5.6
287.02048	41.0
288.02713	6.8
289.03381	2.1
289.07263	2.1
297.00546	3.4
299.01910	1.8
301.00134	5.5
303.01538	5.2
304.02155	5.5
314.00735	1.9
315.01526	57.2
316.01950	8.4
317.02939	1.7
331.01004	2.1
332.01819	70.7
333.02487	20.6
334.02768	2.7
353.00854	1.3
357.02597	3.0
363.00244	1.3
368.83975	1.4
444.94922	1.2
479.08646	1.5
494.11157	1.3
618.15289	1.4
623.12964	10.8
624.12708	1.6
641.13739	100.0
642.14001	15.1
661.18652	1.1
666.67249	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	3.9
63.02279	2.6
64.93974	1.0
65.00214	6.6
65.57217	1.1
68.99693	2.3
70.59807	2.5
70.60199	2.2
71.01267	3.5
83.01285	4.3
87.00765	2.3
89.02369	1.6
93.03362	2.0
93.94915	1.2
95.01292	5.8
99.00829	1.6
101.02331	1.7
101.19716	1.1
107.01314	8.7
109.02857	11.8
110.00011	2.0
111.00802	8.2
120.99229	1.7
121.02866	3.3
123.00797	10.3
123.04397	2.1
124.01558	3.0
124.98706	3.0
125.02338	10.0
133.02872	3.7
135.00728	2.9
136.98714	2.6
137.02357	4.7
139.00322	9.6
139.02867	1.2
141.01884	3.4
143.04948	2.8
145.02895	2.6
147.00810	1.8
147.04425	3.8
148.01604	2.7
149.02406	5.9
149.99541	5.4
150.03152	1.7
151.00313	28.3
151.03923	2.5
152.01021	2.8
153.01865	4.9
154.99779	3.7
157.02892	2.7
159.04498	7.0
161.02380	5.6
161.05986	2.2
162.03116	1.3
163.00328	5.9
163.03960	3.5
164.01025	1.3
164.98274	3.7
165.01926	2.6
165.99083	1.6
166.99789	3.4
168.00648	2.7
169.01418	8.5
171.04501	6.0
173.02316	2.9
174.03197	1.7
175.04037	6.9
176.01031	2.6
177.01872	4.2
177.99071	6.4
178.99823	32.3
179.03465	1.7
180.00397	1.8
181.01466	1.4
181.98500	1.5
183.04544	1.5
185.02454	2.5
186.03217	1.4
187.04012	9.5
188.04482	1.1
189.01892	5.8
189.05638	1.3
190.02599	2.1
190.99808	1.4
191.03508	2.9
192.00568	3.0
193.01360	3.6
194.99315	2.7
197.02380	1.5
199.04018	6.0
201.01900	3.9
202.02711	2.5
203.03511	10.9
204.04243	2.5
205.01418	3.0
205.05096	2.5
206.99316	4.0
207.02864	2.1
209.00876	4.5
213.01904	2.1
214.02710	1.4
215.03503	9.9
216.00439	1.4
217.01439	3.9
217.04993	1.9
219.02882	3.3
222.98935	1.7
227.03500	4.3
229.01382	5.4
230.02132	4.1
231.03003	9.2
232.03740	5.2
233.04529	7.7
241.01443	1.9
242.02054	2.3
243.02983	20.4
244.03395	1.9
245.00908	4.3
245.04596	4.3
247.02489	3.9
255.03041	4.5
257.00876	4.2
258.01663	2.7
259.02530	10.1
260.02963	2.8
261.04077	4.0
269.00964	3.7
270.01572	2.8
271.02536	37.2
271.05475	2.2
272.03030	4.0
275.02057	3.4
286.01233	4.4
287.02060	46.1
287.05347	2.8
288.02658	10.6
289.03568	7.7
289.07001	2.9
297.00534	8.9
298.01065	1.5
299.02036	13.4
300.02826	9.2
300.99942	13.5
301.03537	8.9
303.01459	2.2
304.02173	1.8
314.00726	3.6
315.01532	100.0
316.01895	10.6
317.03082	5.3
332.01764	11.5
333.02621	6.8
389.16153	4.1
463.08957	3.8
465.97900	1.3
501.12634	3.7
505.12198	3.7
529.12018	3.1
541.15845	4.9
551.17963	2.0
569.15363	2.2
595.13141	2.3
597.15015	7.1
613.14154	2.4
623.12598	14.6
624.13281	2.8
641.13715	56.0
642.14026	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	639.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	3.3
59.00630	1.2
59.01265	23.2
61.98719	25.9
65.03831	2.2
69.83633	8.5
71.00899	1.8
71.01264	23.9
72.99178	2.9
73.02814	5.8
74.97985	1.3
78.95370	2.1
78.95792	26.7
81.03329	3.2
83.01262	4.7
83.04923	8.6
85.02838	7.3
85.06448	2.7
87.00780	7.2
89.02341	9.3
93.03333	1.8
95.01252	3.6
95.04870	3.9
96.95856	2.2
96.96811	2.4
97.02815	2.5
97.06455	4.9
98.20657	1.6
99.00770	2.8
101.01818	1.5
101.02347	17.9
102.38741	1.3
109.02882	1.4
109.06501	2.0
111.04398	2.0
111.08018	4.6
113.02362	10.4
119.03331	2.5
123.00736	2.9
123.08025	1.4
125.02390	8.0
125.08904	1.2
125.09644	16.5
135.08069	2.7
136.05229	10.7
137.02345	2.4
137.09628	1.7
143.03391	1.6
145.04951	2.6
150.06755	2.5
151.00261	1.8
152.98517	1.5
152.99548	15.8
161.02245	1.5
161.04468	4.3
163.11143	3.0
165.09074	5.7
168.00525	1.6
169.01326	4.9
171.08807	2.9
171.10225	54.1
172.10516	2.4
179.05467	1.9
183.13766	4.0
185.11736	1.5
205.15948	6.6
209.11816	62.9
210.12071	2.9
211.13385	71.3
212.13574	5.7
215.14436	15.7
215.52446	1.5
217.12161	1.4
221.15419	2.9
231.13823	4.5
233.13269	2.3
233.15477	39.3
234.15695	3.8
235.08261	8.4
249.15016	27.7
250.15057	1.8
251.16504	2.8
253.09401	7.4
275.25980	1.3
289.06973	3.2
297.14716	1.4
300.99875	7.9
311.22195	3.3
323.23819	1.7
330.67328	1.4
331.26395	3.2
341.13766	5.3
341.24686	4.5
347.12521	2.3
359.26007	2.8
363.12137	2.9
367.22595	4.6
375.25424	6.2
379.15198	2.2
385.19540	2.2
385.23932	33.0
386.23962	3.8
393.26196	1.9
395.14481	1.8
403.24985	40.3
403.53876	1.3
404.25076	4.2
407.19022	1.7
421.26169	9.0
422.26016	1.5
445.20493	3.0
447.22412	2.7
467.22137	2.0
477.32346	6.2
478.32297	1.3
485.23679	3.6
487.21732	1.7
575.26270	7.0
576.26007	2.0
607.29163	9.1
611.34363	3.2
621.32959	100.0
622.33215	24.1
639.22601	7.6
639.33618	56.6
640.23877	2.4
640.33875	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	639.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74127	0.6
55.01746	0.6
59.01258	4.0
61.98709	4.3
67.01746	1.0
69.03340	1.1
69.49283	4.2
72.99174	1.1
73.02837	0.9
76.22212	0.6
78.95800	1.3
79.01798	1.3
80.06004	0.6
81.00410	0.6
81.03371	0.8
83.01271	1.3
85.02846	1.8
85.68755	0.6
88.98699	1.3
89.02344	1.1
93.03336	0.7
95.01284	2.4
96.95914	2.4
97.02827	1.0
101.02341	1.6
103.14584	0.6
107.01289	6.9
109.02853	1.7
111.00784	2.7
113.02350	0.9
119.04924	1.0
123.00809	10.5
123.04384	0.8
124.01575	2.4
125.02367	34.5
126.02727	1.1
127.00364	0.8
136.98718	1.1
137.02380	2.0
139.00304	3.9
140.01112	3.6
141.01807	1.7
145.02908	1.5
151.00291	6.8
151.03934	1.3
152.99536	0.9
161.02464	0.8
163.03972	1.5
163.11339	0.6
165.01915	0.7
168.00592	5.1
169.01381	40.3
170.01735	2.3
171.10225	1.1
173.15521	0.8
175.04012	0.7
179.03445	0.7
187.03879	0.8
189.05550	0.8
193.05069	0.7
203.06956	0.7
209.11813	5.1
211.02455	2.1
211.13409	7.1
233.15508	1.0
237.04120	0.8
249.11154	0.6
289.07205	1.5
300.99991	0.9
313.05780	1.7
331.25150	1.3
351.21899	1.1
469.20993	6.5
470.21457	0.7
487.22015	14.1
488.22418	2.2
549.23059	0.8
621.33215	2.4
631.10504	0.6
639.23157	100.0
639.33643	8.6
640.13501	1.2
640.23413	15.9
640.33276	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41714	0.8
52.11221	0.7
57.03336	1.4
59.01265	14.8
61.98722	4.5
65.03825	2.6
69.03352	2.0
69.90688	1.7
69.91100	3.1
71.01273	11.9
72.99210	1.4
73.02827	2.5
74.44389	0.9
75.42664	1.0
81.03352	0.9
83.01279	2.0
83.04919	1.9
85.02839	3.4
87.00776	4.9
89.02345	5.0
90.92608	0.8
91.05424	1.7
93.55381	0.9
95.01277	1.9
95.04909	1.5
96.95903	2.1
97.02860	0.9
97.06486	2.9
98.19810	1.0
99.00770	1.5
101.02346	8.8
103.05422	0.9
105.07035	1.3
107.04905	0.8
109.02840	0.8
109.06485	2.4
111.00787	0.9
111.08122	1.0
113.02347	5.3
115.05457	2.2
117.06986	1.0
119.03429	1.1
123.00775	1.0
125.02351	2.9
125.09666	11.7
135.08086	2.7
145.02916	0.8
145.05020	1.0
149.09694	0.9
161.02402	2.4
161.04491	2.7
161.09680	1.2
163.11270	1.6
171.10225	3.4
185.11800	3.5
187.09781	0.9
187.14932	4.5
191.10738	1.3
203.14310	1.2
205.12373	1.9
207.10281	1.7
209.11803	9.7
210.12323	0.9
211.13394	1.2
213.12857	6.0
215.10588	1.2
221.15576	1.6
231.13925	11.7
232.14233	0.9
233.11836	2.5
235.08244	2.7
247.13507	1.2
249.14980	2.2
253.09320	1.3
261.14972	1.2
287.05472	0.9
329.24902	1.9
339.23370	2.9
355.22952	1.3
357.24377	2.2
365.21405	2.4
373.23874	3.3
374.94897	0.8
383.22400	14.7
384.22803	1.8
391.25061	2.9
401.23422	17.9
402.23788	2.3
417.18848	0.8
419.24326	4.3
420.24646	1.0
528.98840	0.9
609.33289	1.3
619.31360	100.0
620.31677	14.7
637.32483	33.3
638.33093	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	637.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25585	0.2
57.03335	0.4
58.00455	0.3
59.01266	3.0
60.19769	0.2
61.04859	0.2
61.98724	1.4
65.00201	0.6
67.01785	1.0
68.99712	0.5
69.03326	1.2
71.01278	2.9
71.04919	0.5
71.61458	0.4
71.61865	0.4
72.99194	0.8
73.02860	0.5
79.01796	1.1
81.03346	1.0
82.92434	0.3
83.01299	1.0
85.02853	1.3
87.00809	0.6
87.82135	0.3
89.02326	0.9
95.01283	2.4
95.01756	0.3
96.95924	0.4
97.02869	1.8
101.02345	1.8
102.57603	0.2
107.01302	9.2
108.01682	0.3
109.02891	0.5
109.99995	0.3
111.00793	3.0
113.02364	1.7
116.92844	0.3
121.02889	0.4
123.00809	12.4
123.04466	0.6
124.01659	2.8
125.02372	53.9
126.02713	1.9
127.00317	1.1
127.11244	1.3
131.59679	0.3
135.04459	0.4
136.98730	1.8
137.02385	1.0
139.00299	4.9
139.03929	0.6
140.01103	4.5
141.01878	1.5
143.03471	0.3
146.67346	0.3
149.02444	0.4
151.00320	6.0
151.03937	0.6
153.01889	1.2
154.99832	0.4
161.02402	0.4
163.04037	0.3
165.01904	0.9
166.99846	1.1
167.03465	0.9
168.00613	9.6
169.01387	69.5
170.01743	2.7
175.03918	0.4
177.01930	0.4
179.03491	0.6
181.01315	0.6
183.03072	0.3
193.01407	1.9
193.05110	0.4
204.02306	0.2
207.03035	0.3
209.11870	1.1
211.02484	19.2
212.02873	1.1
223.02460	0.4
235.02724	0.3
237.04112	0.6
238.62790	0.3
241.03622	1.1
253.03511	0.6
271.04645	15.1
272.04993	1.1
273.07834	0.3
289.07333	0.5
295.04749	1.0
313.05771	3.7
331.06818	0.7
417.68109	0.3
423.05872	0.3
467.19217	2.1
468.19699	0.3
483.07971	5.6
484.08582	0.4
485.14447	0.3
485.20483	4.2
486.20740	0.8
520.27893	0.3
636.30914	0.9
637.21509	100.0
637.30109	4.6
638.21844	18.2
638.30249	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17929	0.3
59.01260	0.4
59.27508	0.3
61.75333	0.3
61.98714	0.9
70.48740	1.1
83.86190	0.4
92.31007	0.4
93.03330	0.3
95.01319	0.4
95.81097	0.4
96.95900	0.8
111.12937	0.4
113.02411	0.4
117.03382	5.7
119.04945	2.7
122.39204	0.4
123.00797	0.5
123.04393	0.4
125.02374	2.7
126.23482	0.4
130.00581	0.5
137.02388	0.4
140.01112	0.3
141.01758	0.4
145.02893	12.6
146.03285	0.4
163.00504	0.4
163.03923	1.0
169.01422	2.9
170.01680	0.5
177.01895	0.4
183.34666	0.3
197.99525	0.8
214.85233	0.4
215.00139	0.4
229.01384	0.5
241.98485	0.9
242.99344	1.7
254.99388	1.6
257.01028	1.7
258.01663	1.4
265.07080	0.4
269.98129	21.1
270.98895	32.4
271.99295	2.6
282.98950	1.0
283.99707	2.5
285.00485	15.3
286.01117	3.1
297.00467	0.5
297.97629	40.7
298.98386	67.8
299.98929	7.2
300.99844	1.4
307.08264	0.4
312.99976	59.9
314.00751	100.0
315.01160	8.3
328.02328	15.6
329.03101	97.3
330.03397	6.7
358.85245	0.4
385.44876	0.4
455.20822	0.4
484.18881	0.5
605.09302	0.8
622.09204	1.8
636.20605	0.7
637.12134	97.6
638.12512	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	635.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68248	0.5
55.01750	0.4
57.03327	0.8
59.01262	7.0
59.47079	0.4
60.99193	0.5
61.98463	0.4
61.98719	4.9
62.16838	0.5
65.00197	1.0
67.01766	1.5
69.03330	1.5
71.01266	5.6
72.99187	1.6
73.02820	1.3
75.00745	1.4
77.46164	0.4
78.95797	0.6
79.01774	1.5
83.01273	2.4
85.02855	2.9
86.44370	0.4
86.61323	0.4
87.00768	1.6
88.98706	1.1
89.02339	2.9
95.01286	3.8
96.95892	1.1
97.02849	2.0
99.00764	0.9
101.02348	3.8
107.01295	7.4
109.02837	1.3
111.00787	5.3
113.02354	2.0
119.03428	0.8
123.00805	24.8
123.04374	1.2
123.09344	0.4
124.01649	2.9
125.02370	30.5
126.02682	0.9
127.00259	1.9
136.98752	3.6
137.02356	2.1
139.00304	8.5
139.03888	1.3
140.01100	8.4
141.01871	3.0
143.03456	0.5
145.02881	1.0
150.03146	0.6
151.00308	11.3
151.03912	1.8
153.01843	1.7
154.99771	0.8
159.03015	0.6
159.14970	0.4
161.02422	1.0
161.04543	0.8
163.03940	0.7
164.01041	0.8
165.01842	0.8
166.99736	1.0
168.00606	13.6
169.01376	37.2
170.01680	1.4
175.03851	0.6
177.03955	4.0
179.03502	0.6
182.02264	0.6
183.02974	3.6
209.11729	0.6
211.02493	7.0
241.03311	0.5
271.04254	2.9
289.07312	2.2
300.99896	0.9
303.00565	0.5
313.05719	2.2
327.21890	0.9
329.05042	1.6
408.08139	0.4
423.35895	0.5
451.23645	0.7
465.06137	0.5
469.24591	2.4
603.24609	3.5
604.24597	1.1
628.06970	0.5
635.28723	100.0
636.29333	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	635.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.4
59.01279	1.8
61.98722	1.1
65.00220	0.5
67.01785	1.0
68.99694	0.6
69.03333	1.3
69.60072	0.6
69.60472	2.1
71.01260	2.3
72.99192	1.0
73.02836	0.3
75.00767	0.4
79.01779	1.1
81.03379	0.9
83.01278	1.4
83.87247	0.3
85.02854	1.9
85.33785	0.3
87.00792	1.0
88.98680	0.5
93.03355	0.3
95.01283	3.0
96.95909	3.2
96.96844	0.4
97.02853	1.5
99.00787	0.5
101.02339	1.7
107.00626	0.6
107.01302	8.3
109.02872	0.9
109.99992	0.6
111.00791	3.4
113.02328	1.1
121.02866	0.8
123.00803	14.6
124.01611	2.4
125.02367	49.5
126.02711	1.1
127.00294	1.4
128.90099	1.7
129.01857	2.0
129.05519	0.5
135.04413	0.6
136.98726	2.5
137.02359	1.1
139.00299	6.3
139.03886	0.4
140.01096	6.7
141.01859	2.3
145.02899	0.7
149.02357	0.9
151.00304	9.5
151.03961	0.9
153.01880	0.9
154.99808	0.5
161.02425	0.5
163.04039	0.4
164.01086	0.4
165.01881	0.6
166.99786	0.7
167.03479	0.7
167.99161	0.6
168.00584	10.1
169.01379	58.6
170.01711	2.1
175.03986	0.8
177.01854	0.5
177.03976	1.2
179.03435	0.7
181.01363	0.5
181.05064	0.4
191.03539	0.5
193.01338	0.6
193.05014	0.4
205.01375	0.4
207.02982	0.5
211.02509	3.1
231.02824	0.3
237.04071	0.7
271.04663	1.2
285.00562	0.4
289.07190	0.6
295.04770	0.9
295.12665	0.3
300.99966	1.4
302.00064	0.6
303.00934	0.4
311.04163	0.7
313.05658	2.4
318.13531	0.7
329.05151	0.7
329.89413	0.4
383.06812	0.4
403.10394	0.8
421.11398	1.9
465.17709	6.6
466.18079	0.9
483.18829	25.6
484.19214	3.8
573.12640	9.2
635.19916	100.0
636.20245	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	635.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62678	0.8
57.03337	4.9
59.01281	1.6
67.01765	0.9
69.03341	1.7
71.01254	1.6
71.58000	1.0
72.99182	0.8
74.82039	0.9
78.95779	1.5
81.03353	2.3
82.73167	0.9
83.01272	5.6
85.02824	1.1
93.03366	2.8
95.01280	1.6
95.04929	1.9
95.53259	0.9
96.95916	32.6
97.02863	7.4
101.02317	1.5
107.01283	3.4
107.04932	2.2
108.02086	2.4
109.02872	20.8
111.00817	2.2
121.02852	4.5
122.03638	1.3
123.00786	4.1
123.04442	15.9
125.02373	67.0
126.02681	1.5
134.03665	12.7
135.04472	5.1
137.02380	20.3
137.22397	1.0
138.02686	1.5
139.00331	1.6
139.03920	3.3
143.04893	1.0
145.02893	6.9
146.03630	2.6
148.05255	1.6
149.02409	6.8
149.06017	9.9
150.03105	1.6
151.00334	1.2
151.03960	16.3
152.04382	1.1
159.04460	9.4
160.01584	1.4
161.02368	4.3
161.06044	11.7
162.03149	1.7
163.00301	1.3
163.03954	2.7
164.01088	4.3
165.01892	7.2
165.05507	2.1
166.99812	2.5
168.00558	1.6
169.01369	40.5
170.01758	2.1
173.06055	5.3
174.06761	1.0
175.03989	8.3
175.07549	2.6
176.04622	1.2
177.01846	3.7
177.05548	1.5
179.03435	5.7
183.04518	1.4
185.06021	5.0
187.03989	9.6
188.04613	3.5
189.01920	3.5
189.05525	3.7
190.02663	1.1
191.03459	3.1
191.05490	1.0
191.07150	1.5
192.52249	0.9
193.01405	2.3
193.05081	1.7
201.05507	2.9
202.02910	1.0
202.06403	1.2
203.03448	1.6
203.07132	11.3
204.04204	1.0
205.05031	12.1
209.06158	1.1
211.02347	1.9
215.07217	2.7
216.07909	1.2
217.01395	3.0
217.04984	2.1
218.05780	1.9
219.02928	1.3
225.05574	1.8
227.07230	2.7
229.05070	3.6
229.08717	2.5
231.02917	1.9
231.10292	1.3
233.08205	9.2
234.08559	1.1
245.00861	1.4
245.04489	1.7
245.08224	15.4
247.06084	2.8
253.05147	1.6
255.03012	1.4
257.04587	2.0
259.06116	2.1
269.04630	1.3
271.06131	8.8
271.09631	2.0
275.02026	2.0
275.09198	1.5
289.07260	52.5
290.07550	3.4
297.07861	5.5
301.00064	4.9
301.03061	1.4
302.00192	1.3
303.00555	2.1
303.05035	1.2
315.08817	11.3
316.09210	1.4
319.08331	4.6
331.08264	8.0
332.08456	1.1
341.06830	7.6
435.10928	2.6
441.08499	5.2
465.05737	1.4
465.12021	28.1
466.12531	4.6
483.13080	100.0
484.13373	14.0
617.12787	2.6
635.15045	20.3
636.14734	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	635.0906
Annotation	Gallotannin
Peak:m/z	Relative Intensity
53.55199	0.3
54.91043	0.4
59.01260	0.5
67.01754	0.5
69.03358	1.7
71.01256	2.6
72.99240	0.4
73.02837	0.6
79.01801	0.5
80.30798	0.4
81.03353	0.8
83.01283	1.0
85.02856	1.3
87.00776	0.5
95.01311	2.2
96.99208	0.6
97.02827	2.4
100.71832	0.4
101.02351	1.4
107.01292	9.1
109.02865	0.7
111.00777	1.2
113.02357	1.4
120.89154	0.4
121.02933	0.4
123.00793	5.5
124.01571	1.7
125.02365	85.3
126.02734	2.7
136.98744	0.9
137.02399	1.6
139.00316	2.4
140.01132	2.5
141.01843	0.6
143.03439	2.9
149.02448	0.7
151.00305	4.2
151.03989	0.6
153.01929	0.8
163.03964	0.8
165.01875	0.7
166.99796	0.7
167.03389	0.8
168.00581	4.7
169.01375	100.0
170.01718	3.7
179.03419	0.8
181.01324	0.9
183.02937	0.7
191.03523	0.6
193.01437	3.3
207.02847	0.6
209.64355	0.4
211.02454	8.3
213.37544	0.4
221.04550	0.8
223.02525	0.5
229.69281	0.7
237.04022	0.9
241.03531	1.1
253.03555	1.2
271.04645	5.3
295.04599	3.1
301.00104	0.9
302.00214	0.7
313.05713	22.1
314.05988	1.4
316.45889	0.4
331.06784	0.7
405.04681	0.5
423.05774	1.7
424.05893	0.5
465.06851	20.0
466.07220	1.9
483.07892	10.3
484.08194	1.0
635.09003	75.4
636.09308	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	635.0902
Annotation	Gallotannin
Peak:m/z	Relative Intensity
62.70953	0.6
67.01777	0.8
69.03342	1.1
71.01276	1.4
72.99197	0.9
81.03355	0.6
83.01259	0.8
85.02834	0.8
95.01289	2.3
97.02874	2.2
98.19785	1.7
101.02339	1.7
107.01296	7.0
109.34565	0.6
111.00778	1.5
113.02393	0.7
123.00807	7.2
124.01586	2.5
125.02369	70.0
126.02694	2.3
127.00271	0.9
136.98711	1.7
137.02351	1.6
139.00294	3.7
139.03842	0.6
140.01126	2.9
141.01854	0.7
149.02397	0.8
151.00322	2.8
151.03906	0.9
160.33597	0.5
163.03798	0.8
165.01901	1.6
166.99742	0.7
167.03441	1.0
168.00577	7.1
169.01390	58.8
170.01782	1.6
179.03435	0.9
181.01360	1.7
183.03017	0.9
191.03407	0.7
193.01416	7.6
206.08189	1.0
206.80594	0.6
207.02997	0.8
211.02486	15.5
221.04558	3.6
229.52437	0.6
232.68851	0.6
234.84828	0.6
235.02527	1.2
241.03627	1.3
271.04669	8.1
295.04617	1.9
313.05771	6.7
314.06094	0.7
423.05740	9.8
424.05896	0.8
439.08762	0.7
465.06732	5.2
466.06888	0.7
483.07925	7.5
484.08347	0.8
617.07935	1.1
635.09003	100.0
636.09375	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	633.3803
Annotation	Myriceric acid B
Peak:m/z	Relative Intensity
59.01255	0.9
60.02838	0.3
61.27313	0.3
62.58783	0.3
63.20424	0.3
70.76364	0.7
75.00788	0.4
77.03803	0.3
77.15385	0.3
79.55108	0.3
92.44041	0.3
93.82732	0.3
96.95918	1.2
101.02332	0.4
116.92760	1.6
117.92787	1.0
118.92596	0.6
118.96915	1.4
119.03436	2.0
121.02923	0.7
126.36781	0.3
132.02107	0.7
133.02881	21.6
134.03734	2.6
135.04456	13.8
136.04776	0.3
137.02386	2.9
139.03903	0.9
155.77867	0.3
161.02391	81.6
162.02731	4.0
163.03996	0.5
178.02698	1.8
179.03494	1.2
179.77831	0.3
182.38820	0.3
191.03357	0.3
203.03494	0.3
205.48427	0.3
229.01361	0.3
245.00938	0.4
257.00763	0.4
265.95331	0.3
273.00571	0.3
275.02017	1.0
277.21759	0.3
300.99951	4.4
401.85907	0.3
479.28015	0.7
497.32391	0.5
589.38971	0.4
633.08820	2.8
633.38080	100.0
634.38452	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	633.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.8
59.01277	2.7
61.98717	2.8
67.01769	0.6
70.17039	1.7
71.01280	2.5
73.02834	0.4
78.95801	0.9
79.01773	0.7
83.01270	1.1
85.02828	1.3
87.00771	0.7
88.98722	0.4
89.02331	0.7
95.01261	1.8
96.95892	1.0
97.02845	0.8
97.57581	0.3
99.00780	0.6
101.02359	1.9
107.01307	2.8
111.00785	1.5
113.02352	1.2
123.00804	11.0
123.04422	0.4
124.01591	0.5
125.02377	12.4
125.09663	0.7
127.00288	0.8
134.20618	0.4
136.98718	1.0
137.02364	1.0
139.00302	3.1
140.01117	2.8
141.01822	1.2
145.02893	0.7
149.02411	0.6
149.74962	0.4
151.00316	6.3
151.03911	0.6
153.01836	0.7
158.19373	0.3
161.02354	0.7
161.04573	0.4
163.04021	0.5
165.01819	0.4
168.00533	2.0
168.99953	0.7
169.01390	14.4
171.10223	0.4
173.02400	0.6
177.01913	0.5
185.02509	0.3
187.62784	0.4
201.01929	0.7
203.03471	0.7
209.11830	0.4
209.40250	0.4
211.02391	0.9
229.01443	0.6
231.02995	0.8
245.01041	1.0
257.01025	0.4
271.04388	0.4
273.00485	0.9
274.01135	0.9
275.02054	2.5
289.07343	0.7
300.99969	11.9
301.03351	0.6
301.21768	0.5
302.00247	1.2
313.05664	1.1
319.11877	0.5
463.05243	0.7
573.29755	0.4
615.28290	1.1
632.40436	0.5
633.07721	8.5
633.29327	100.0
634.08234	2.0
634.29724	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	633.163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.6
59.01270	2.2
60.01604	0.2
60.71000	0.2
61.98712	0.4
67.01767	0.6
69.03347	2.1
71.01285	0.4
71.56762	0.3
77.51584	0.2
79.01807	0.7
81.03348	1.2
83.01296	1.8
87.00785	0.3
87.88278	0.2
89.02352	0.4
91.13971	0.2
93.03357	0.7
95.01283	1.4
95.04938	0.8
96.95936	0.8
97.02866	3.0
99.00868	0.2
101.02393	0.3
104.39488	0.2
105.03368	0.2
107.01304	1.6
107.04934	0.7
108.02089	0.7
109.02868	8.1
111.00785	0.6
113.02343	0.3
117.03400	0.3
119.04925	0.4
121.02879	2.0
122.03647	1.0
123.00810	3.2
123.04448	4.2
124.01614	1.7
125.02371	65.1
126.02720	2.0
127.00381	0.3
133.02881	0.4
135.04442	1.1
137.02383	7.6
138.03128	0.7
138.35088	0.2
139.00322	1.1
139.03949	2.1
140.01080	0.5
142.04767	0.2
145.02893	2.4
146.03664	0.7
147.04510	0.5
149.02380	6.6
149.05992	0.2
150.03168	1.6
151.00345	0.7
151.03955	7.2
153.01830	0.2
153.05519	0.6
158.03625	0.2
159.04465	1.7
160.05171	0.3
161.02411	2.0
161.06027	1.6
162.03145	0.8
163.00331	0.4
163.03955	2.3
164.01076	1.1
164.04749	3.2
165.01898	2.8
165.05531	0.5
166.02301	0.2
166.99812	2.5
167.03479	0.5
168.00612	1.5
169.01385	100.0
170.01723	3.5
173.02411	0.4
173.06021	0.3
174.03113	0.3
175.03993	1.2
175.07629	0.3
176.01152	0.4
177.01854	1.1
177.05544	0.7
179.03461	1.8
179.07089	2.0
183.04520	0.3
183.10243	0.9
184.10565	0.4
185.02339	0.3
185.05962	0.4
187.03969	1.7
188.04752	0.8
190.02705	0.4
191.03535	1.8
193.01411	5.7
193.03207	0.3
194.01656	0.3
197.06097	0.7
199.04042	0.3
201.05505	0.6
202.06334	0.5
203.03427	0.9
203.07121	3.0
205.01424	0.9
205.05048	2.9
209.11795	0.4
212.04761	0.3
213.01987	0.3
213.05550	1.0
215.07098	3.7
216.07523	0.4
221.08105	0.5
225.05472	0.4
226.06259	0.3
227.03552	0.3
227.07153	0.8
229.01482	0.6
229.05084	0.6
229.08624	0.3
230.05789	0.3
231.03084	0.6
233.08026	0.2
239.07126	0.6
240.04189	0.2
242.05753	0.3
245.01045	0.6
245.04575	0.5
245.08205	3.4
245.63756	0.3
246.08598	0.3
247.06149	0.6
253.05090	0.5
255.06763	1.0
257.01047	0.3
257.08246	1.1
259.06207	1.1
265.05136	0.4
269.04733	0.5
270.05411	0.4
271.06226	2.8
271.09521	0.5
273.00443	0.3
275.02066	0.9
275.05594	0.5
281.04501	0.3
282.05371	0.3
283.06180	2.4
289.07257	10.1
290.07608	0.8
300.99988	5.7
301.03571	0.2
301.07220	7.4
302.00272	0.7
302.07761	0.4
303.05203	2.5
304.05753	0.3
315.05310	0.4
315.08707	1.5
317.10355	1.8
329.10367	3.2
330.10645	0.4
357.09787	0.5
361.18918	0.6
404.55533	0.2
413.09775	0.2
441.08182	0.5
442.08951	0.2
445.12671	0.2
453.08279	0.8
463.05469	0.2
463.07001	0.3
463.14127	3.7
464.14731	0.5
479.13272	0.3
481.15149	28.8
482.15411	4.0
523.12659	1.9
524.12622	0.3
529.93518	0.3
589.17590	0.2
633.07306	2.8
633.16797	5.2
633.29297	2.1
634.07996	0.5
634.17468	0.8
658.16919	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00843	0.3
57.03341	1.0
58.76658	0.3
59.01264	1.9
61.98711	1.2
65.00202	0.4
67.01775	0.9
69.03346	2.6
69.63145	1.2
69.63569	0.9
71.01268	1.6
72.99197	0.4
78.95807	0.3
79.01787	0.3
81.03350	1.3
83.01270	2.1
85.02845	0.5
89.02335	0.8
93.03371	1.2
95.01286	1.9
95.04932	0.6
96.95911	2.3
97.02862	3.0
101.02334	1.1
105.03383	0.3
107.01290	2.8
107.04943	0.7
108.02087	1.0
109.02860	9.4
111.00793	1.0
113.02345	0.7
117.03368	0.3
119.04950	0.5
121.02874	2.1
122.03656	1.0
123.00801	4.2
123.04443	5.2
124.01646	1.9
125.02369	68.6
126.02719	1.9
126.93978	0.3
127.00326	0.4
131.05019	0.3
133.02876	0.6
133.06490	0.3
133.97359	0.3
134.06065	0.5
135.04462	2.5
136.98782	0.3
137.02377	10.3
138.03105	1.0
139.00285	1.3
139.03920	1.9
140.01077	0.9
141.01877	0.4
145.02878	3.3
146.03650	0.9
147.04410	0.8
149.02383	7.6
149.05981	0.3
150.03178	1.5
151.00313	1.2
151.03951	8.7
152.04280	0.5
153.01888	0.6
153.05492	0.6
159.04459	2.2
161.02403	2.1
161.06007	2.2
162.03159	0.6
163.00285	0.4
163.03935	2.7
164.01141	1.0
164.04752	3.7
165.01906	2.6
165.05455	0.5
166.99803	2.2
167.03535	0.5
168.00591	1.8
169.01381	100.0
170.01724	3.6
171.10204	0.9
173.02441	0.7
173.06075	0.4
175.04028	1.4
175.07677	0.3
176.01114	0.4
177.01935	1.3
177.05580	0.5
178.02621	0.4
179.03476	1.7
179.07088	2.9
183.04471	0.3
185.02469	0.3
185.06004	0.8
187.03967	1.9
188.04765	1.0
189.02063	0.4
189.05544	0.4
190.02696	0.3
191.03484	1.5
192.04056	0.4
193.01424	4.8
194.01695	0.4
196.05338	0.6
197.06029	0.9
201.01961	0.7
201.05559	0.9
202.06326	0.6
203.03481	1.0
203.07187	3.4
205.01347	0.5
205.05038	3.5
209.11900	0.5
210.06709	0.3
212.04784	0.3
213.05569	0.9
215.07127	4.0
217.01311	0.3
219.06636	0.3
221.08238	0.4
225.05649	0.3
226.06311	0.6
227.07162	1.1
228.04256	0.4
228.07878	0.3
229.01385	0.8
229.05069	0.7
229.08757	0.4
231.02962	1.4
239.07127	0.5
241.05164	0.5
245.00963	0.8
245.04515	0.6
245.08223	3.5
246.08536	0.3
247.02464	0.6
253.05119	0.7
255.06725	0.9
257.01035	0.9
257.04379	0.3
257.08298	1.3
258.08670	0.3
259.06122	0.9
261.13470	0.3
265.05005	0.5
270.05341	0.4
270.09076	0.3
271.06317	2.8
271.09564	0.5
273.00525	0.9
274.01257	0.7
275.02045	1.9
275.05331	0.5
283.06137	2.6
283.99701	0.5
285.04205	0.5
289.03955	0.6
289.07236	10.2
290.07660	0.9
297.07843	0.3
299.99243	0.7
300.99969	12.7
301.07208	7.7
302.00323	1.2
303.05206	2.9
303.08606	0.4
305.06757	0.3
313.05811	0.3
315.08777	1.2
317.10410	2.2
329.10345	2.9
330.10538	0.4
357.09814	0.4
438.59283	0.4
439.39743	0.3
441.08340	0.5
453.08005	0.6
463.05524	0.8
463.14111	3.5
464.14178	0.6
481.15158	29.8
482.15515	3.6
507.13214	0.4
523.12585	2.1
569.26581	0.4
570.26825	0.4
632.25464	0.6
632.33948	3.9
633.07397	7.1
633.16833	3.8
633.25708	1.0
633.34534	1.8
634.07562	1.2
634.17657	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
66.92296	0.4
85.20963	0.4
95.01285	0.9
119.04930	0.6
121.02921	0.6
123.00814	2.1
125.02399	3.4
133.02888	0.5
137.02397	0.5
145.02873	2.2
147.04416	1.1
151.00290	0.5
157.02960	0.8
159.04446	0.8
161.02437	1.3
163.03914	1.1
169.01390	2.6
173.02376	2.4
175.03970	1.7
177.01910	1.2
185.02412	3.5
189.01923	1.1
190.02696	1.0
191.03477	1.5
193.01405	0.5
201.01913	3.8
202.02367	0.4
203.03528	3.6
205.01299	0.5
213.01945	0.8
217.01413	1.9
218.02171	0.6
219.02972	1.0
229.01433	7.6
230.02084	0.9
231.02942	2.2
243.02980	0.5
244.00192	0.6
245.00937	6.7
245.39926	0.5
246.01466	0.9
247.02473	1.5
248.02931	0.8
249.04123	2.1
257.00952	5.0
257.03818	0.5
258.01688	2.0
259.02551	0.8
273.00510	6.4
273.03519	0.8
274.01178	3.6
275.02039	17.8
276.02417	1.6
283.99619	3.1
285.00214	0.4
285.04050	0.6
286.01364	0.5
287.02051	0.8
291.01407	0.8
299.99109	2.7
300.99957	100.0
301.97031	0.6
302.00308	8.8
307.50229	0.4
314.00714	0.5
315.01462	0.5
329.02948	1.1
463.05237	5.4
464.05502	0.5
579.42590	0.4
633.07452	68.0
634.07788	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	633.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40526	0.3
59.24658	0.3
68.30303	0.3
70.74030	0.4
71.01265	0.5
71.41395	0.8
79.01771	0.4
85.02844	0.4
88.34110	0.3
95.01285	1.1
98.20372	0.4
103.05469	0.3
117.03431	0.5
121.02868	0.5
122.64905	0.4
123.00822	2.6
125.02380	3.2
126.74158	0.3
133.02835	0.6
145.02895	2.9
147.04459	1.3
153.00949	0.4
157.02921	1.0
159.04475	1.6
161.02377	1.2
163.03990	1.5
169.01369	2.3
173.02417	3.8
174.03140	0.5
175.03946	2.1
177.01913	1.1
185.02422	3.5
185.88031	0.4
187.04082	0.7
189.01947	2.4
190.02586	1.0
191.03423	1.9
193.01469	0.5
201.01945	5.1
203.03500	3.6
213.01900	0.9
213.05583	0.4
217.01393	3.0
218.02228	1.1
219.03006	1.3
226.99785	0.6
228.00592	0.7
229.01434	9.8
230.01976	0.8
231.02954	2.6
245.00938	8.4
246.01344	0.9
247.02502	1.7
248.03246	0.8
249.04060	1.7
257.00943	7.6
258.01672	2.0
259.02478	0.7
273.00482	7.0
274.01303	3.9
275.02032	16.2
276.02322	0.8
283.99695	4.0
285.00198	0.6
287.02121	0.7
291.01498	0.6
299.99167	4.3
300.99969	100.0
302.00302	7.6
314.00809	0.7
326.53281	0.4
329.02866	0.8
419.05917	0.4
463.05310	2.3
465.06754	0.6
633.07483	28.5
634.08020	4.7
655.12439	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.0746
Annotation	Phyllanemblinin B
Peak:m/z	Relative Intensity
50.86448	0.3
59.93302	0.3
69.83910	0.7
69.84319	1.1
71.01295	0.4
77.70394	0.3
95.01274	0.4
98.19759	0.3
105.44737	0.4
120.18316	0.3
123.00803	1.2
125.02372	2.0
145.02972	0.3
149.02353	0.4
159.04463	0.4
161.02414	0.5
163.00272	0.3
163.03902	0.4
166.99806	0.3
169.01405	1.8
173.02406	1.1
175.03987	0.4
177.01904	0.6
185.02440	0.9
187.04074	0.3
189.01984	0.6
191.03482	1.0
201.01950	1.4
202.02635	0.4
203.03485	1.7
205.08574	0.3
211.02432	0.4
217.01433	1.4
218.02023	0.4
219.03023	0.7
221.04523	0.4
229.01471	2.9
231.03050	2.3
245.00964	4.5
245.04678	0.4
246.01448	0.4
247.02519	1.9
248.03145	0.3
249.04071	2.7
257.00949	3.1
258.01672	1.0
259.02481	0.8
273.00491	8.2
273.03586	0.3
274.01215	3.8
275.02045	18.7
276.02435	1.0
283.99841	0.9
285.04184	0.6
287.01968	1.0
288.02792	0.4
290.00482	0.4
291.01498	0.7
299.02371	0.5
299.99164	1.4
300.99973	100.0
302.00317	9.0
313.03134	0.4
314.00732	0.9
315.01486	0.4
329.03107	1.2
410.00266	0.3
419.06281	1.1
463.05283	5.1
464.05496	0.6
633.07471	52.5
634.07770	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	633.0747
Annotation	Phyllanemblinin B
Peak:m/z	Relative Intensity
59.01258	0.5
71.01282	0.7
71.60103	0.3
85.02840	0.3
95.01300	1.2
96.96869	0.3
109.02849	0.4
123.00785	1.9
123.04579	0.3
125.02363	3.2
129.03319	0.5
131.05019	0.4
133.02829	0.4
145.02893	2.0
147.04485	1.0
149.02441	0.4
157.02902	0.8
159.04469	0.7
161.02397	0.8
163.03915	1.4
165.01843	0.4
166.99800	0.3
169.01376	3.5
173.02386	2.4
175.03896	1.5
177.01910	0.8
185.02449	3.1
187.03896	0.8
189.01897	2.2
190.02615	0.8
191.03508	1.0
195.32982	0.3
201.01894	3.8
201.05466	0.2
201.16046	0.3
203.03510	3.4
204.03918	0.4
205.01398	0.4
213.01894	0.8
214.02776	0.5
217.01430	2.2
219.02965	0.9
226.99904	0.6
227.03418	0.4
228.00587	0.5
229.01419	7.2
230.02043	1.0
231.03055	2.3
243.03181	0.4
244.00183	0.3
245.00938	6.4
246.01552	0.5
247.00296	0.3
247.02457	1.5
248.03133	0.7
249.04131	2.1
257.00925	5.8
257.03848	0.5
257.04706	0.4
258.01581	1.6
259.02414	1.2
273.00494	7.6
274.01126	3.0
275.02029	17.0
276.02350	1.5
283.99707	2.9
285.00064	0.3
285.04071	0.6
287.02051	0.8
288.02609	0.6
291.01569	0.7
299.99286	2.7
300.02457	0.6
300.99960	100.0
302.00311	7.6
314.00806	0.7
329.03027	0.8
341.03058	0.3
381.49475	0.3
419.06125	1.0
463.05264	5.4
464.05527	0.6
538.24750	0.4
633.07440	62.6
634.07794	9.9
635.59662	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	8.8
59.01260	2.0
61.98421	1.0
61.98719	13.5
62.22619	0.5
69.03330	0.8
69.23603	0.5
71.01273	1.6
72.99190	0.5
81.03346	2.1
83.01271	5.2
85.02870	0.8
86.63456	0.4
88.98681	0.6
89.02353	0.6
92.47167	0.4
93.03362	1.9
95.01264	0.7
95.04908	1.5
96.95912	1.3
96.96859	0.5
97.02868	2.0
101.02343	0.7
109.02867	9.2
110.03162	0.5
111.00772	1.2
113.02339	0.6
121.02880	1.3
122.03664	0.5
123.00816	0.6
123.04434	5.1
125.02370	47.2
126.02667	1.7
135.04449	1.3
136.05234	0.8
137.02377	37.0
138.02760	0.8
139.03941	1.4
145.02890	10.4
146.03571	1.6
147.11685	0.4
149.02380	7.2
150.03177	2.2
151.03955	2.9
151.07558	3.5
158.03796	0.5
159.04459	6.0
160.05261	0.7
161.02335	0.9
161.06029	3.7
162.03177	0.9
163.03960	1.0
164.01044	0.8
165.01849	3.0
169.01376	4.9
173.06071	0.6
175.04013	0.8
175.07591	0.7
179.03448	2.2
183.04491	1.4
184.05197	0.7
185.06062	3.4
185.11783	1.6
187.04007	5.1
188.04730	1.6
199.07628	0.7
201.05600	1.7
201.11348	1.4
202.06361	1.2
203.07135	7.3
205.05106	3.2
209.06145	1.2
209.11806	1.5
211.04008	1.3
211.13432	1.9
212.04736	0.6
221.08287	0.6
225.05537	1.1
227.07144	2.8
229.05173	0.9
230.02263	0.8
230.05815	0.7
245.08247	8.4
253.05118	4.9
253.09285	0.5
271.06192	26.1
272.06522	2.0
289.07263	47.6
290.07605	3.8
300.99960	0.7
311.26086	0.7
313.24036	3.2
336.85873	0.5
349.27417	0.6
357.26343	0.6
359.28116	100.0
360.24365	0.9
360.28494	9.3
360.32584	0.8
395.31647	0.5
481.31854	9.1
482.32285	1.4
493.31656	2.7
521.18512	0.6
587.35858	5.6
588.36578	1.3
589.90833	0.5
613.39703	3.2
631.19653	0.8
631.35187	12.4
632.35864	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	631.1686
Annotation	Galloylpaeoniflorin
Peak:m/z	Relative Intensity
56.89018	0.7
57.03330	0.9
59.01254	3.5
61.98709	1.5
67.01773	1.3
68.99686	0.8
69.03340	1.7
69.26962	5.3
69.27381	3.4
71.01270	3.3
79.01765	1.3
83.01264	1.7
85.02832	2.3
87.00761	1.2
88.98714	4.7
89.02338	1.2
93.03362	2.2
95.01276	3.8
96.95923	3.2
97.02874	1.7
101.02351	1.0
107.01287	8.5
109.02852	2.2
110.00000	1.1
111.00801	4.3
113.02351	1.2
119.04949	0.9
121.02840	1.0
122.03648	2.1
123.00805	16.4
123.04446	2.2
124.01571	3.4
125.02373	48.6
126.02768	2.7
127.00297	1.3
135.04451	1.0
136.98741	2.5
137.02373	4.6
139.00278	7.3
139.03909	0.9
140.01109	6.3
141.01825	2.6
145.02866	2.2
147.04372	0.9
149.02356	3.5
150.03162	10.4
151.00331	11.4
151.03958	3.7
153.01793	1.1
154.99792	0.9
161.02409	7.3
162.03085	0.9
163.03905	1.5
164.04752	1.2
165.01845	3.0
165.05539	11.1
165.09142	4.0
166.99835	1.0
168.00616	10.2
169.01381	57.2
170.01717	2.7
173.02391	1.1
175.03934	1.9
176.04742	3.2
177.01871	2.1
178.99913	1.0
179.03464	10.1
180.04175	1.5
181.05034	1.0
183.10219	1.9
189.01872	1.0
190.02748	1.2
191.03537	1.2
191.07080	1.4
193.01337	1.2
194.05836	8.6
195.06615	16.0
203.03484	1.3
205.05002	1.5
209.08199	14.0
209.10071	1.1
210.08591	0.9
211.02457	3.3
217.01483	1.4
219.03146	0.9
225.07668	0.9
225.11377	2.6
232.03433	0.7
237.73531	0.7
245.01012	1.2
245.08400	1.1
256.48264	0.8
257.01147	0.8
265.71088	0.7
271.04581	1.3
273.00540	1.0
275.02045	2.9
289.07278	3.4
300.99954	15.8
302.00433	1.2
313.05746	2.4
315.01660	1.3
317.02985	1.9
322.95853	0.8
333.02737	1.1
373.13043	1.1
387.14258	0.9
461.14584	6.9
479.15891	16.2
480.16406	1.5
506.16010	1.4
541.23254	4.3
568.25366	1.7
613.04791	1.6
631.16949	100.0
631.32336	8.5
632.17358	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	629.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06425	0.3
57.03342	7.1
59.01267	4.7
61.98722	6.0
62.39768	0.3
67.01775	0.4
69.03331	0.7
71.01277	3.3
72.99178	0.4
73.02818	0.9
81.03349	1.6
83.01280	5.0
83.04913	0.6
84.27651	0.3
85.02845	1.5
89.02354	2.3
93.03365	1.1
93.07007	0.4
95.01275	0.5
95.04934	1.8
96.95912	1.1
96.96810	0.3
97.02859	2.0
98.20576	0.7
99.00750	0.4
101.02364	2.1
105.72428	0.4
107.04944	0.4
108.02066	0.4
109.02873	7.9
109.06494	0.6
110.00127	0.3
110.03194	0.4
111.00806	1.2
111.04417	1.1
113.02342	1.2
117.03398	0.7
119.03429	0.9
121.02888	2.1
122.03709	0.5
123.00772	0.9
123.04446	4.6
123.08071	0.6
125.02374	40.0
126.02694	0.8
135.04445	1.1
137.02380	31.5
138.02837	0.6
139.03938	1.5
139.07579	0.6
145.02898	10.3
146.03789	1.8
149.02394	6.5
149.06030	0.9
150.03227	1.6
151.00281	0.4
151.03952	4.1
152.04649	0.6
157.06490	0.5
159.04482	5.1
159.79280	0.3
160.05188	0.9
161.02362	1.1
161.06009	4.4
162.03180	1.0
163.03955	0.7
164.01094	1.4
165.01886	2.2
167.03458	0.6
167.07111	2.7
169.01431	1.6
171.10216	0.7
173.06007	0.4
174.03247	0.4
175.03955	1.0
175.07568	1.0
179.03470	2.6
179.05629	0.5
183.04526	1.0
183.13905	0.5
184.05269	0.5
185.06000	3.4
185.11804	1.8
187.03972	4.8
188.04683	1.8
199.07690	0.4
199.09694	0.8
201.05508	1.9
202.06331	1.0
203.07126	7.3
204.07451	0.7
205.05086	2.7
209.06087	0.9
211.04027	1.2
211.13388	1.3
212.04762	0.4
213.02005	0.4
221.08243	0.7
225.05527	0.7
227.07120	2.6
227.16518	1.1
229.05083	0.9
230.02206	0.6
230.05731	0.7
244.07539	0.5
245.08221	7.4
246.08542	0.8
247.06154	0.6
253.05107	4.8
254.05586	0.6
271.06201	24.1
272.06561	1.5
289.07266	44.6
290.07608	3.8
297.24472	1.0
309.24469	1.0
321.24469	0.5
325.23831	0.8
327.25439	7.9
328.25946	0.7
339.25403	1.6
355.25113	0.6
357.26544	100.0
358.26877	11.7
479.30234	10.4
480.30542	1.6
491.30231	2.2
492.30496	0.5
567.32318	0.4
569.37219	1.7
585.34442	5.5
586.34644	0.9
593.29907	0.9
601.39880	0.6
629.33490	7.1
629.39838	4.5
630.33923	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	629.335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03082	0.7
57.03339	9.9
59.01273	4.5
59.63375	0.4
61.98722	7.6
68.39922	0.5
69.03337	1.5
71.01263	2.2
71.56400	1.0
81.03337	1.3
83.01286	5.2
85.02880	0.6
89.02341	2.0
93.03365	1.4
95.04903	1.8
96.38578	0.5
96.95905	0.9
97.02850	3.0
101.02372	1.4
109.02865	9.7
109.06499	0.7
111.00787	1.9
111.04390	0.6
113.02334	1.2
117.03397	1.0
119.03398	0.5
121.02852	1.2
123.00839	0.7
123.04443	5.0
124.01656	0.7
124.19844	0.5
125.02373	44.8
126.02708	1.1
135.04442	1.3
137.02380	37.3
138.02837	0.5
139.03917	1.5
139.11243	1.1
145.02899	11.6
146.03661	1.3
149.02373	6.9
150.03212	2.3
151.03931	3.3
151.07596	0.6
155.14238	0.5
157.06517	0.7
159.04469	5.3
160.05298	0.5
161.02390	1.0
161.06046	5.3
162.03206	0.8
164.01070	1.4
165.01881	2.9
167.03407	1.3
167.07065	0.6
167.10652	0.5
169.01401	1.5
169.12262	0.5
171.10217	0.8
173.06094	0.8
175.03886	1.0
175.07585	0.9
177.12555	0.5
179.03438	2.5
179.05663	0.6
183.04459	1.1
185.02449	0.8
185.06013	2.9
187.03967	5.2
188.04715	1.7
189.05429	0.5
193.01207	0.5
197.05952	0.5
199.07603	0.5
199.09734	1.2
201.05525	2.0
202.06346	0.8
203.07112	7.9
205.05072	3.0
209.06152	1.2
211.04057	0.7
211.13383	3.4
212.04860	0.7
221.08127	0.7
225.05624	0.6
225.82437	0.5
227.07164	3.0
229.05029	2.0
230.02242	0.8
239.59819	0.5
245.08250	8.7
246.08569	1.0
247.06099	0.7
247.64590	0.5
253.05084	6.6
271.06189	24.9
272.06485	1.7
289.07257	49.6
290.07550	3.6
309.24057	0.7
311.22360	2.4
324.44440	0.5
325.62781	0.5
327.25433	3.6
339.25497	1.4
347.26016	0.8
357.26547	100.0
358.26874	10.0
389.29630	0.6
479.30215	10.2
480.30533	1.8
491.30042	2.5
569.37103	1.4
585.34442	4.9
586.34796	0.6
629.33356	10.8
630.33887	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	629.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.7
57.03334	1.5
58.00489	5.2
59.01266	99.1
60.01600	1.1
61.40899	0.4
61.79761	0.4
67.01783	0.6
69.03372	0.6
71.01271	74.6
71.59283	0.3
71.59777	0.5
72.01589	0.9
72.99200	7.2
73.02834	1.2
73.26508	0.4
81.03370	0.5
83.01283	2.3
85.02846	12.6
87.00775	4.6
88.98712	0.6
89.02340	100.0
90.02689	1.5
93.03358	0.6
95.01295	5.8
96.95887	0.8
97.02865	0.8
101.02350	36.2
107.01304	2.2
107.03397	0.5
111.00801	0.5
113.02364	30.9
114.02693	1.3
119.03424	38.6
119.04917	2.3
123.00828	2.2
123.04420	1.0
125.02374	17.1
126.02747	0.6
131.03432	4.4
135.04478	0.4
137.02394	1.0
139.00311	1.7
140.01064	0.7
143.03438	10.2
144.03737	0.5
145.02916	1.9
149.02473	1.9
149.04486	3.9
150.03136	1.4
151.00319	1.6
151.03928	0.6
161.02425	0.7
161.04504	11.0
162.03220	0.9
163.03932	1.6
165.01897	0.6
165.05516	1.6
166.99812	0.5
168.00615	1.2
169.01389	17.1
170.01752	0.6
177.01868	0.8
177.05591	0.6
179.05579	52.8
180.05937	1.5
181.05148	0.5
187.03996	0.6
189.05521	1.0
195.06606	1.0
196.07339	0.4
205.05022	0.4
207.06294	0.4
209.00992	0.4
211.02422	1.8
211.09598	0.5
211.72037	0.4
219.06581	0.6
227.03529	0.7
229.05017	0.5
255.03065	1.2
271.04681	1.4
275.02274	0.5
284.03293	1.8
285.03998	2.4
289.07303	0.9
295.04559	0.7
299.99292	0.7
300.02887	1.0
300.99899	1.0
301.99951	0.4
313.05725	3.0
315.05252	0.5
357.38937	0.4
359.15076	0.6
437.14777	0.4
459.09451	1.7
465.06946	5.9
466.07135	0.5
477.10498	1.2
539.21234	1.0
593.15399	3.5
594.15698	0.7
594.63483	0.4
629.11554	12.1
630.11786	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	4.4
59.01265	100.0
60.01572	1.6
65.00161	1.2
71.01272	4.8
71.59509	1.2
85.02873	1.2
88.98713	1.2
89.02347	4.5
99.04428	2.7
101.02358	2.9
107.01290	1.8
109.02856	2.2
113.02377	2.1
121.02866	2.2
122.03654	3.0
123.00769	1.7
123.04443	1.4
125.02377	15.0
137.02374	1.9
139.00203	1.3
139.03891	1.2
149.02371	34.3
150.03177	33.3
151.03859	1.6
160.06386	2.9
161.04451	2.8
161.07179	8.1
164.04745	14.1
165.05530	53.5
166.05849	3.5
169.01402	12.8
175.08780	1.1
177.01895	1.1
180.04251	3.3
181.05043	3.7
187.08833	2.0
189.06668	9.7
193.08699	3.7
195.04800	2.2
195.06612	45.4
196.07234	4.7
197.08134	1.0
201.10414	1.7
203.08336	2.1
211.09761	5.9
229.09833	7.1
258.01587	1.1
270.98862	6.0
285.00546	2.0
286.01123	1.6
289.07190	3.8
298.98395	8.9
299.99127	14.6
300.99911	7.0
305.11487	11.2
313.00009	3.5
314.00699	6.1
315.01477	4.4
323.12665	4.8
323.95001	1.1
329.10245	1.2
341.06723	2.2
344.12735	11.4
347.12393	1.6
359.15082	77.0
360.15350	8.9
389.16144	2.6
407.17203	62.6
408.17471	7.0
435.11105	1.6
467.17111	7.0
485.17856	8.8
486.17880	1.4
629.07800	23.1
629.22174	3.2
630.08240	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	629.1163
Annotation	Isorhamnetin 3-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
58.05564	0.8
59.01276	3.1
61.98725	1.1
65.92881	0.8
66.87843	0.6
67.01799	0.9
69.03349	1.4
71.01275	6.9
71.58354	1.3
72.99213	1.1
79.01768	0.7
81.03339	1.0
83.01284	1.2
83.62556	0.8
85.02848	2.2
87.00789	1.6
88.98695	1.7
89.02345	1.4
93.03350	1.3
95.01299	3.6
96.95947	1.0
97.02869	1.7
101.02358	3.3
105.01810	1.0
107.01299	8.8
109.02880	2.6
111.00808	2.0
113.02379	2.7
117.03381	3.4
119.03528	1.0
119.04949	20.1
120.05270	1.3
121.02852	0.8
123.00811	12.7
123.04434	1.5
124.01601	2.0
125.02371	78.1
126.02713	2.6
136.98729	2.2
137.02399	2.6
139.00291	4.8
140.01077	4.8
141.01930	1.6
143.03432	1.1
144.84105	0.8
145.02896	10.8
149.02330	1.4
151.00323	8.8
151.03964	2.5
153.01871	1.5
158.03712	0.8
159.04451	1.6
161.02417	1.3
163.00296	0.9
163.03970	15.0
164.01099	1.4
165.01915	2.3
165.05539	1.9
166.99838	3.4
167.03554	1.3
168.00591	8.6
169.01393	100.0
170.01721	3.5
175.03990	1.1
177.01923	2.0
178.99908	0.9
179.03465	1.8
181.01396	1.2
187.03914	2.0
191.03537	1.4
193.01448	3.3
205.01373	1.3
205.05070	1.1
207.02927	1.2
211.02484	12.4
211.04370	1.2
212.02808	0.9
237.04140	0.9
241.03534	1.3
247.02425	0.9
271.04630	7.7
289.07272	3.3
295.04703	4.9
297.06192	1.5
299.99118	1.2
300.99985	3.4
302.00351	1.2
303.00500	1.2
313.05731	29.3
314.06128	2.1
327.00229	0.8
416.19754	0.8
459.09491	14.0
460.09827	1.6
465.06836	42.6
466.07047	4.7
467.13501	1.5
477.10568	6.4
539.21558	5.7
553.93878	0.8
563.93719	0.8
585.15955	1.7
629.11609	93.7
630.11975	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	629.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95419	0.3
57.03351	0.4
59.01266	2.8
65.78804	0.4
67.01793	0.6
68.99718	0.5
69.03331	0.7
71.01270	5.1
75.00749	0.6
79.01781	0.7
83.01271	0.7
85.02838	1.2
85.23109	0.3
87.00797	0.6
87.40471	0.3
88.98687	0.4
93.03368	0.5
95.01282	2.6
95.80050	0.3
96.95878	0.5
97.02872	1.2
101.02342	1.5
107.01292	6.4
109.02848	1.1
110.00006	0.4
111.00797	1.8
113.02367	1.3
116.81951	0.3
119.04947	9.0
121.02891	0.5
122.99907	0.5
123.00799	9.8
123.04454	0.9
124.01604	1.1
125.02366	50.7
126.02692	1.8
126.38609	0.3
127.00294	0.6
127.46631	0.3
135.04469	0.4
135.07870	0.3
136.98738	1.1
137.02370	1.2
138.03194	0.6
139.00311	3.3
139.03903	0.5
140.01123	2.6
141.01863	1.2
143.03392	0.4
149.02411	0.7
151.00310	6.2
151.03868	0.8
153.01901	0.8
161.02444	0.6
163.03929	1.6
165.01860	1.5
166.02660	0.4
166.99837	2.1
167.03468	1.6
168.00610	4.3
169.01382	68.0
170.01712	2.5
175.00256	0.3
175.03908	0.4
177.01929	1.0
178.99733	0.3
179.03445	1.2
181.01414	0.6
183.02965	0.3
187.04022	0.4
189.01884	0.6
191.03510	0.6
193.01421	3.5
195.03014	0.4
203.03499	0.3
205.05060	0.4
207.03026	0.7
211.02490	6.5
217.01497	0.4
223.02432	1.5
225.07732	0.7
235.02533	1.0
237.04135	0.3
241.03606	1.2
253.03603	1.1
258.83655	0.3
270.98889	1.1
271.04697	0.5
275.02087	0.4
285.00381	0.3
289.07291	0.5
295.04691	2.3
297.06247	3.7
298.98434	1.6
299.99173	1.6
300.99966	2.2
305.11658	0.4
313.05716	25.2
313.27319	0.3
314.00696	1.3
314.06018	2.0
315.01596	0.8
329.03052	0.9
342.07147	0.3
465.06824	100.0
466.07181	11.0
539.21082	0.5
629.11517	6.7
630.11713	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94987	0.3
56.87526	0.3
58.22305	0.2
59.01274	0.3
60.08784	0.2
60.50575	0.2
67.01785	0.6
69.03342	0.8
71.01270	3.7
71.41497	0.5
72.99219	0.4
77.24568	0.3
79.01785	0.3
83.01295	0.4
85.02848	1.4
85.64233	0.3
87.00777	0.4
88.98711	0.3
93.03325	0.2
95.01294	1.6
97.02841	1.0
101.02376	0.9
107.01296	6.1
109.02843	0.5
111.00779	1.5
113.02373	1.1
117.03320	0.4
119.04924	0.4
121.02889	0.3
123.00797	6.3
123.04436	0.3
124.01607	1.3
125.02367	39.4
126.02670	1.3
127.00307	0.7
136.98763	0.6
137.02373	1.0
139.00310	3.0
139.03954	0.5
140.01086	1.8
141.01897	0.8
143.58455	0.2
145.02919	0.7
149.02379	0.8
151.00317	4.0
151.03912	0.6
153.01941	0.4
161.02444	0.3
163.03976	0.4
164.01118	0.3
165.01874	0.6
166.99843	1.3
167.03435	1.2
168.00603	3.8
169.01378	58.5
170.01736	2.0
177.01868	0.4
179.03432	0.6
181.01398	0.4
183.03011	0.3
191.03563	0.5
193.01421	2.8
195.03008	0.4
205.01482	0.4
207.03018	0.4
211.02467	3.5
221.04660	0.3
223.02492	1.2
235.02510	0.7
237.41911	0.3
241.03581	0.7
253.03563	0.7
295.04587	1.9
297.06183	2.5
300.99997	0.3
313.05722	18.8
314.06055	1.5
459.09567	0.7
465.06824	100.0
466.07156	11.6
477.10571	0.7
539.21747	0.5
629.11505	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	629.1164
Annotation	Isorhamnetin 3-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
56.28543	0.6
59.01266	1.1
67.01783	0.9
69.03329	1.5
69.56172	4.6
71.01275	4.6
72.99228	1.6
76.53501	0.6
81.03349	0.8
85.02862	2.1
87.00807	1.0
89.02351	0.8
93.03387	0.9
93.94946	0.6
95.01285	2.5
97.02886	1.5
101.02342	1.5
105.28933	0.7
107.01299	8.3
109.02901	0.8
111.00819	1.3
113.02390	1.7
113.78426	0.6
117.03365	3.7
119.04897	0.9
123.00809	12.6
124.01654	1.6
125.02373	76.5
126.02686	2.5
127.00263	1.1
136.98721	1.4
137.02364	1.7
139.00299	3.4
139.03961	0.8
140.01093	2.4
141.01802	1.0
143.03421	1.3
145.02913	7.1
149.02414	0.7
151.00354	6.0
151.03929	0.9
153.98520	0.7
163.03944	1.7
165.01817	1.0
166.99849	1.3
167.03368	1.1
168.00623	6.0
169.01385	100.0
170.01741	3.9
177.01843	1.1
179.03427	0.7
181.01341	0.8
191.03470	2.4
193.01390	3.9
197.08852	0.6
207.03061	0.7
211.02489	9.2
221.04572	7.2
223.02507	1.8
241.03667	1.2
244.10017	0.6
253.03607	0.8
253.89079	0.8
271.04636	3.9
295.04590	3.5
297.06387	1.3
313.05737	24.1
314.06070	1.2
445.96539	0.6
459.09363	0.8
465.06854	73.1
466.07178	6.9
477.10815	1.9
483.07797	3.0
539.21362	1.2
629.11591	57.2
630.12061	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	629.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	1.1
69.03349	1.7
71.01266	2.6
71.60000	0.9
72.99210	2.7
75.38551	0.7
79.01767	0.9
81.03367	1.3
83.01281	1.0
85.02852	1.2
87.00790	1.1
95.01284	1.6
97.02859	2.6
101.02347	0.9
107.01289	6.7
109.02882	0.7
111.00789	1.4
113.02357	2.0
117.03386	5.0
119.04943	2.7
123.00822	6.8
124.01611	2.1
125.02368	71.9
126.02711	2.2
137.02368	1.8
139.00333	3.7
140.01102	2.3
141.01859	0.8
141.76672	0.7
143.03482	0.7
145.02887	9.4
147.04468	1.2
149.02324	1.3
151.00304	3.1
161.02444	1.2
163.03946	1.0
165.01851	2.0
166.99875	1.4
167.03426	1.1
168.00586	7.3
169.01384	100.0
170.01738	3.2
177.01910	2.1
191.03523	2.4
191.05435	0.9
193.01396	2.6
203.42183	0.7
205.01488	1.0
211.02498	9.7
221.04549	11.8
223.02539	1.2
241.03505	1.4
271.04678	7.9
289.07230	0.8
295.04578	3.7
297.86676	0.8
300.99991	1.4
313.05725	14.1
314.06100	1.1
357.60699	1.0
459.09506	1.9
465.06808	22.2
466.07443	1.0
477.10767	1.0
483.07767	3.2
571.83087	0.8
629.11578	93.6
630.11920	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24932	0.5
59.01246	1.7
70.73818	1.9
71.01260	2.2
83.01281	0.8
87.00727	0.6
89.02353	0.9
95.01264	1.0
101.02344	0.7
107.01285	3.2
111.00787	0.8
123.00802	2.8
124.01607	0.6
125.02362	22.3
137.02377	0.9
139.00275	1.0
140.00978	0.8
146.74559	0.5
151.00282	2.0
161.02362	0.8
168.00549	1.3
169.01379	23.9
170.01573	0.5
172.01608	1.2
175.02467	1.2
185.02440	0.9
193.01256	0.5
200.01163	0.8
216.00655	1.3
228.00595	1.5
229.01456	0.8
232.30945	0.5
242.99387	2.8
244.00035	1.9
258.01712	2.6
265.66571	0.5
270.98904	26.7
271.99561	4.1
275.02026	0.6
282.98871	1.8
283.99661	4.5
285.00476	7.5
286.01282	4.3
297.00424	1.2
298.94803	0.7
298.98376	36.1
299.99161	58.5
300.99857	18.8
302.00192	1.3
312.99951	11.7
313.05457	3.0
314.00745	32.8
315.01462	21.5
316.01767	1.3
435.10788	0.7
437.43646	0.5
463.05304	0.7
467.03589	1.4
473.03644	0.7
629.07941	100.0
630.08252	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	628.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	3.0
61.98719	4.5
67.01768	0.9
68.01296	0.7
68.99695	0.7
69.03333	0.8
69.32017	5.6
71.01269	4.0
72.99188	1.0
82.71444	0.6
83.01282	1.0
85.02856	0.6
85.90160	0.6
87.00769	0.7
88.98718	0.6
89.02275	0.8
89.03856	0.9
93.03345	0.5
95.01263	1.8
96.95881	1.6
97.02839	1.6
101.02328	1.6
107.01305	4.0
109.02854	2.0
111.00781	2.4
113.02362	1.0
117.03373	1.3
120.02834	0.5
121.02862	0.7
123.00804	9.8
123.03152	1.8
123.04452	1.3
124.01627	0.7
125.02376	26.9
127.00275	0.9
132.02100	8.5
133.02882	3.3
134.03673	19.0
135.04388	2.3
136.03911	1.0
136.98701	0.9
137.02385	1.7
138.05542	16.0
139.00304	4.3
139.03915	0.8
140.01115	2.8
141.01802	0.6
145.02884	1.0
147.04500	0.9
149.02357	1.5
149.05998	1.8
151.00314	6.5
151.03943	2.0
160.01610	38.2
161.02397	13.5
163.03979	0.9
165.01807	1.5
166.99736	0.9
167.03386	0.8
168.00575	5.7
169.01389	32.0
170.01752	1.6
175.03967	25.4
176.04329	1.1
177.01804	1.0
178.02693	0.9
179.03416	2.0
181.01407	0.8
181.04980	0.6
183.02936	1.0
191.03365	0.6
192.06577	1.0
193.01317	1.1
193.05038	8.5
194.05429	0.9
201.11281	1.8
203.07042	0.8
209.11852	1.7
211.02490	2.5
217.05037	0.7
240.29671	0.6
241.03450	0.8
271.04468	0.7
289.07129	1.2
295.04633	2.2
297.06226	0.8
300.99841	1.2
313.05838	2.9
335.15079	2.3
364.38089	0.6
403.05469	0.6
410.98318	0.6
434.11063	6.2
435.11044	0.8
452.12051	6.8
453.12592	0.8
466.18384	1.0
476.16006	0.9
489.10422	2.8
628.16821	100.0
629.16986	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	627.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02766	1.2
55.17270	1.1
56.45487	1.2
59.01258	1.9
59.61195	1.2
60.19686	1.2
67.01766	2.9
70.78461	1.1
71.00816	2.9
71.01259	2.7
78.70354	1.2
81.03342	1.6
85.02847	9.2
87.00762	3.0
91.93243	1.4
93.03363	20.6
109.02824	2.5
111.04438	5.5
119.04958	9.6
125.02296	1.4
127.03904	2.2
130.89125	1.2
137.02382	4.1
155.03424	4.1
163.03947	10.9
173.04512	89.3
174.04840	5.1
189.01978	1.3
191.05579	100.0
192.05922	4.9
202.26517	1.1
213.75412	1.2
227.27281	1.2
243.73120	1.4
266.98840	1.2
337.09384	33.2
338.09738	3.2
341.06674	2.4
435.10815	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	627.2115
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
61.98692	0.8
69.38625	5.9
73.02823	0.9
80.76463	0.7
80.92435	0.6
123.29611	0.7
135.37367	0.6
136.80217	0.6
438.13412	1.0
451.13904	1.2
452.15121	3.8
465.16144	1.1
466.16031	0.9
480.13641	0.8
481.14987	7.4
482.15298	1.9
493.15787	1.4
495.16827	14.5
496.17316	3.6
508.17453	2.7
509.19025	1.1
512.13232	1.2
521.15131	0.9
535.16675	1.8
536.17340	2.0
539.16290	1.2
540.16266	2.5
551.19543	34.8
552.19958	8.4
554.17853	1.9
555.19061	1.9
570.34033	0.7
572.15594	2.6
586.17029	2.2
595.18732	9.3
596.18927	1.2
627.21100	100.0
628.21417	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85446	0.2
55.59003	0.1
57.03341	0.4
59.01255	1.1
67.01768	0.7
69.03334	0.3
71.01277	0.9
71.61694	0.3
73.02841	0.3
81.03354	0.7
83.01266	0.3
83.04919	0.5
85.02850	10.2
87.00781	1.7
87.03117	0.2
90.46769	0.1
93.03361	5.5
94.03698	0.2
95.01299	0.3
95.04924	0.2
97.02859	0.4
99.04426	0.5
101.02339	0.3
109.02869	2.8
111.04449	1.5
119.04948	1.2
121.02864	0.3
123.04423	1.2
125.02378	1.3
127.03934	2.3
128.15123	0.2
137.02397	1.2
139.00227	0.3
145.02902	0.7
147.04474	0.2
149.02370	0.5
151.03944	1.0
153.01903	0.4
155.03445	0.4
159.04503	0.2
161.02444	0.3
161.06030	0.4
163.00320	0.3
163.03981	1.1
165.01871	0.3
169.01341	0.4
171.02950	0.6
173.03079	0.3
173.04521	5.5
175.03917	0.2
177.01913	0.9
179.03491	0.2
187.03972	0.4
188.04785	0.4
189.01904	1.7
189.05502	0.2
190.02734	0.4
191.05589	100.0
192.05920	3.5
192.07681	0.2
203.03380	0.3
203.07169	0.6
205.05078	0.6
216.00688	0.2
217.01460	1.2
219.03050	0.4
231.03047	0.5
245.08133	0.8
281.04422	0.3
283.06256	0.3
289.07303	2.6
290.07794	0.3
300.02365	0.2
300.99768	0.3
305.06766	0.2
311.05728	0.2
315.08981	0.6
321.06152	0.3
337.09451	1.9
341.06763	3.8
342.07184	0.3
435.10959	4.2
436.11539	0.4
453.11987	1.6
464.07996	0.2
557.41113	0.2
627.17578	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.3
59.01272	0.5
61.98716	0.6
65.00206	0.3
68.14226	0.3
70.90471	0.3
70.90828	0.8
71.01263	0.7
77.51085	0.2
85.02843	0.5
89.03862	0.3
93.03346	0.4
95.01295	1.2
96.95927	0.3
97.02830	0.3
109.02869	0.9
111.00762	0.4
117.03391	0.3
119.04962	0.6
123.00789	2.6
123.04430	0.8
125.02365	3.1
129.03391	0.4
131.04893	0.3
133.02858	0.8
135.04384	0.3
137.02380	0.5
145.02850	2.5
147.04456	1.1
149.02362	0.7
151.00351	0.3
151.03922	1.0
157.02928	0.9
158.03596	0.3
159.04472	1.4
161.02367	1.5
163.00322	0.3
163.03912	1.4
164.00966	0.5
165.01886	0.9
166.99840	0.4
169.01440	1.7
173.02394	3.2
175.03922	2.0
177.01921	1.4
179.03435	0.4
185.02399	3.3
187.03889	0.5
189.01877	3.2
190.02644	1.4
191.03442	1.9
191.05298	0.5
200.01140	0.7
201.01920	3.6
202.02504	0.6
203.03477	3.2
203.07074	0.4
205.01419	0.5
205.04959	0.3
207.02831	0.4
213.01877	1.1
214.02647	0.4
215.03470	0.3
216.00621	0.7
217.01422	3.3
218.02209	0.3
219.03055	1.3
225.50005	0.3
226.99850	0.5
228.00594	0.4
229.01433	7.5
229.05022	0.6
230.01927	1.0
231.03035	2.9
242.01994	0.5
243.03011	0.6
243.84686	0.3
244.00101	0.4
245.00922	6.1
246.01549	0.4
247.02573	1.6
248.03239	0.8
249.03984	1.7
255.03151	0.4
256.00153	0.5
257.00937	4.6
257.03809	0.5
258.01663	1.9
259.02670	0.6
269.04727	0.3
271.06232	0.4
273.00455	5.9
273.03778	0.4
274.01215	3.5
275.02032	14.6
276.02353	1.1
283.99747	3.2
285.00247	0.4
285.04105	0.4
287.02133	0.8
288.02682	0.6
289.07239	1.2
291.01428	0.7
299.99203	3.0
300.99948	100.0
302.00284	8.2
314.00903	0.5
315.01331	0.4
325.03568	0.4
329.02997	1.0
341.03180	0.3
341.06625	1.6
419.06024	1.8
437.07190	0.6
463.05295	16.3
464.05511	2.0
465.12033	3.6
465.17776	0.6
523.38019	0.4
596.33069	0.3
627.10004	50.9
628.10327	10.6
646.27502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56761	0.6
59.01254	1.1
65.00211	1.6
71.01250	1.5
71.12564	1.8
72.63193	0.6
83.01286	1.2
89.02324	0.8
93.03419	0.8
95.01276	1.7
95.78452	0.8
101.02326	0.8
107.01298	2.1
108.02103	1.1
109.02872	2.8
110.00010	4.0
111.00784	3.2
123.00808	2.9
124.01646	1.4
124.48219	0.7
125.02382	4.6
135.00758	0.8
136.98750	1.0
137.02364	1.7
137.99483	2.1
139.00294	6.7
145.02805	0.7
148.01569	0.8
149.02370	1.0
151.00302	8.0
151.03902	1.0
152.01131	4.0
153.01852	1.3
155.28752	0.6
159.04442	1.6
161.02388	2.0
161.19901	0.6
163.00317	2.8
163.03922	0.9
164.01129	1.5
164.98262	0.8
165.01884	1.0
165.99054	6.7
166.99809	3.3
169.01364	2.0
171.04395	1.1
174.03114	1.1
175.03957	1.4
176.01146	1.0
177.01830	0.9
178.21852	0.6
178.99829	8.4
183.04440	1.0
187.03981	2.3
188.04643	0.7
189.01947	1.5
189.05559	0.8
190.02596	0.7
190.99840	0.7
191.03412	1.2
192.00612	0.7
194.99281	1.2
197.02373	0.9
198.03328	0.9
199.03908	3.4
201.01907	2.4
201.05647	0.8
202.37341	1.0
203.03497	2.8
206.99321	2.0
209.11890	3.3
211.03999	1.5
214.02704	2.8
215.03551	3.0
216.00740	0.9
216.04181	1.3
217.01353	0.9
217.05019	1.0
218.02257	0.7
219.02829	0.9
225.66313	0.6
226.02640	1.2
227.03487	4.3
229.01489	1.0
231.02948	2.0
241.01483	1.3
242.02226	3.4
243.02992	7.3
244.03584	1.8
245.04509	1.3
254.02213	0.8
255.03067	6.6
259.02615	3.4
260.03201	1.5
270.01733	6.5
271.02542	32.1
272.03171	4.7
273.04077	2.4
287.02020	12.9
287.05133	0.4
288.02856	5.4
289.03571	1.8
289.07339	0.8
298.01306	1.9
299.02036	37.3
300.02505	5.0
301.00177	1.5
301.03561	1.8
315.01471	2.0
316.02292	51.0
317.03015	27.8
318.03427	2.3
397.13669	1.2
415.14642	1.0
422.53659	1.4
489.12546	1.1
506.01932	0.7
529.04333	0.7
581.15967	1.0
607.13391	2.7
625.14240	100.0
626.14587	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	625.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	0.2
63.02292	0.3
65.00200	0.6
69.91735	1.3
83.01288	0.7
85.06268	0.2
89.52213	0.2
95.83978	0.2
107.01296	1.8
108.02071	0.5
109.02856	0.9
123.00805	0.4
124.01586	1.8
125.02339	0.7
134.52774	0.2
135.00793	0.3
136.01584	0.5
137.02386	1.7
142.59241	0.2
148.01591	0.4
151.00314	5.8
151.03900	0.3
152.01021	1.0
153.01935	0.3
161.02405	0.5
163.00288	1.4
164.01102	1.4
165.01781	0.3
169.01372	1.0
171.04390	0.3
178.99841	6.5
180.00145	0.3
187.03996	0.5
188.04665	0.4
189.01917	0.3
192.00542	0.3
193.01399	0.5
199.03979	0.4
201.01988	0.3
203.03450	1.0
204.04271	0.6
206.02197	0.2
214.02705	5.7
215.03416	0.8
219.02963	0.2
226.02791	0.4
227.03601	1.4
229.01300	0.3
231.03009	0.3
232.03615	0.4
242.02235	4.0
243.02997	5.1
244.03596	0.6
245.04384	0.3
254.02409	0.4
255.03030	6.8
256.03299	0.6
259.02530	5.5
260.02896	0.4
270.01764	5.1
271.02533	43.0
272.02917	3.9
275.02048	0.4
287.02042	18.3
288.02637	2.5
299.02005	1.0
300.02817	22.6
301.00110	0.4
301.03409	3.7
302.03754	0.3
315.01480	0.7
316.02304	71.8
317.02887	12.9
318.03510	0.6
408.54089	0.4
463.08917	0.4
542.90625	0.3
625.14227	100.0
626.14581	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	625.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82198	0.5
70.17052	1.9
103.11390	0.5
115.50715	0.4
116.76407	0.4
125.02351	0.6
136.19640	0.4
242.99394	2.0
244.00253	0.9
270.98898	20.6
271.99356	1.6
274.29507	0.5
282.61969	0.5
298.01193	0.8
298.98407	30.3
299.99161	87.6
300.99686	9.4
312.99942	2.1
328.99606	1.2
353.13837	0.4
445.04010	0.8
462.04764	3.0
463.05264	21.7
464.05319	2.2
525.00464	0.4
625.10590	100.0
626.10938	16.8
626.21295	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1216
Annotation	Nympholide A
Peak:m/z	Relative Intensity
55.01773	0.4
56.73365	0.5
57.03341	1.1
59.01268	3.5
59.08348	0.4
61.98708	3.0
68.57796	0.5
68.99731	0.5
69.03344	0.5
71.01270	7.0
71.56727	0.5
72.99224	0.8
73.02838	1.7
75.00761	0.8
75.91824	0.5
78.95805	0.9
83.01283	1.0
85.02847	3.5
87.00778	0.8
88.98687	1.5
89.02334	1.2
93.03360	12.0
94.03715	0.5
95.01314	1.3
96.95918	1.7
99.00803	0.9
101.02354	5.0
102.01907	0.6
103.00292	1.2
107.04922	0.6
108.02071	0.6
109.02864	1.3
113.02361	2.9
116.92771	2.1
117.03409	0.6
120.69897	0.5
121.02901	1.2
123.00798	0.7
123.04446	1.2
125.02384	6.7
135.04437	0.5
137.02383	12.5
139.00339	0.7
140.01105	0.6
144.87267	0.5
145.02902	1.2
149.02425	0.7
151.03944	1.7
152.99443	0.6
161.04536	1.9
163.03975	1.0
165.01877	0.7
168.00540	0.5
169.01389	3.9
177.01904	0.5
179.03426	0.8
197.99469	1.1
203.07329	0.6
209.11859	2.0
210.42598	0.5
213.01970	0.6
239.05756	1.2
241.98593	0.7
243.02802	0.6
254.99448	2.9
256.00119	0.6
257.00891	3.2
269.00912	2.7
269.98138	20.2
270.98697	2.6
271.02539	2.1
281.06799	1.2
282.98853	0.9
283.99634	2.0
285.00479	15.5
286.00839	2.0
289.07153	1.9
297.00507	4.6
297.97623	42.8
298.98215	6.0
299.02060	5.9
299.20239	5.1
299.99124	0.9
300.02441	0.9
300.20544	5.8
300.99808	1.2
301.20831	1.4
311.99118	1.7
312.99973	74.8
314.00430	9.7
315.01440	1.4
327.01553	8.0
328.02304	26.9
329.02991	5.2
341.03094	0.8
343.01169	0.8
343.04660	19.6
344.04977	1.7
365.52878	0.6
407.27014	0.5
459.06070	0.6
461.25342	2.3
462.25934	8.5
463.26425	4.4
463.45081	0.5
610.09766	4.4
625.12115	100.0
625.28723	3.3
626.12415	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	623.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	2.0
59.01265	15.6
61.98705	6.5
64.08464	1.8
69.03325	1.7
71.01273	19.3
71.60503	2.1
72.99198	3.9
73.02823	4.8
83.01287	1.7
83.04906	3.2
83.80533	1.6
85.02847	7.1
87.00780	5.9
89.02326	7.0
95.01285	1.9
101.02361	10.0
105.82858	1.6
107.04900	1.7
109.06503	2.4
111.08044	2.2
113.02367	8.7
119.03407	1.7
125.02385	1.9
135.08128	2.1
137.09686	3.1
143.03494	1.9
145.04958	3.7
161.04555	4.5
165.12915	1.8
168.17538	2.0
188.76854	1.6
206.52396	1.8
211.13310	3.5
213.15079	2.2
235.08356	11.0
239.16579	3.1
275.16577	3.1
325.25510	6.1
341.24768	3.8
343.26556	5.2
351.23297	4.3
359.26013	9.0
369.24500	13.9
387.25519	42.7
388.25787	6.7
396.45175	1.9
404.03116	1.9
405.26630	29.2
406.26938	4.1
451.78842	2.0
454.36157	1.8
479.30411	2.2
560.47369	2.0
623.34534	100.0
624.34717	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	623.3456
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
57.03342	1.7
59.01271	13.6
61.98705	3.5
64.90839	1.0
66.85411	1.1
69.03330	2.1
71.01272	16.4
72.30050	1.1
72.99210	1.1
73.02833	3.9
73.93523	1.0
82.92050	1.0
83.01276	3.0
83.04907	2.0
85.02855	5.9
87.00772	7.1
89.02332	7.9
95.01270	1.4
95.04931	1.2
96.95872	1.3
97.02817	2.0
97.06511	1.1
98.20537	2.6
101.02359	11.1
109.06503	2.7
111.00801	1.1
111.08099	2.3
113.02369	6.7
119.03415	1.8
125.02383	1.9
135.08116	1.5
137.09636	1.8
143.03433	1.4
145.04979	3.7
161.04503	4.3
203.14455	1.4
213.14961	2.0
218.48720	1.2
231.17661	1.9
235.08243	11.3
237.15070	1.8
239.16626	1.4
247.16882	1.3
265.17996	1.6
275.16602	1.3
315.26950	4.3
325.25375	5.2
341.24887	3.9
343.26553	7.7
351.23346	3.5
359.26041	8.0
361.27692	1.9
369.24390	12.3
370.24777	2.1
387.25500	41.7
388.25784	3.5
405.26550	35.0
405.31796	2.1
406.26749	4.5
479.30270	2.3
595.34924	1.7
605.33124	2.0
623.34491	100.0
624.35010	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	623.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.7
59.01271	3.2
61.98717	4.5
62.96288	0.5
69.03359	0.5
69.55405	1.4
69.55827	1.6
71.01266	2.2
73.02836	1.8
75.00783	0.4
78.95795	100.0
80.02557	2.3
81.03352	1.9
83.04920	7.2
84.02060	1.5
85.02851	0.9
86.50150	0.4
87.60222	0.4
88.28127	0.4
88.98698	1.0
89.02348	1.2
93.03362	0.8
95.04940	1.2
96.95908	1.8
96.96864	8.3
97.06526	0.5
99.00807	0.5
99.04414	0.4
99.92464	0.7
101.02354	1.4
103.00249	0.7
107.01302	0.9
107.04967	0.5
109.02885	0.9
109.06510	0.6
111.00816	0.4
113.02352	0.9
116.92773	5.8
117.01854	1.1
123.00807	1.4
123.04461	0.8
125.02371	5.8
125.05969	1.1
134.98482	1.0
135.04416	0.4
135.08096	0.7
137.02344	1.2
145.02899	0.9
147.11769	0.6
149.02370	0.4
150.97960	0.9
151.00304	0.8
151.03966	0.8
152.99533	58.4
153.99879	0.9
161.02412	1.2
163.03941	0.6
163.11243	6.2
164.11598	0.7
165.01886	0.4
165.12787	3.6
168.00504	0.9
169.01384	4.2
171.00609	1.0
181.12349	1.0
191.10739	1.6
207.10277	0.8
209.11833	96.2
210.12141	5.7
225.11279	0.6
227.12909	7.9
255.16064	0.7
289.07394	1.2
299.61038	0.4
363.12225	25.5
364.12628	1.3
381.13306	6.6
395.14798	6.7
396.15265	0.7
413.16013	1.7
461.20319	0.7
461.27859	0.4
591.25916	42.2
592.26215	7.0
623.14478	2.5
623.28430	31.3
624.14624	1.0
624.28882	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	623.1633
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
52.56426	0.6
54.52238	0.5
56.00499	0.5
58.22044	0.5
59.01262	1.9
65.00221	0.8
67.04925	0.5
70.87398	0.5
71.01276	1.4
71.61314	0.7
72.93743	0.5
72.99184	0.5
78.95806	1.3
83.01308	0.7
83.04879	0.5
86.61945	0.5
86.97182	0.7
87.00774	0.5
88.98700	0.8
89.02352	0.9
96.95924	12.0
96.96562	0.8
96.96867	1.8
98.02382	3.6
98.95486	6.4
98.96312	0.8
98.97279	0.7
99.00755	1.3
99.01929	1.4
101.02332	0.7
107.01315	2.3
111.00759	0.7
120.99554	0.6
121.02896	0.6
123.00812	1.3
124.01552	0.6
125.02376	4.4
145.02811	1.3
151.00328	4.0
151.03900	0.6
159.04445	0.7
161.02400	0.9
163.00305	1.3
165.01944	0.8
169.01389	4.6
171.04485	0.6
175.03960	0.8
183.04446	1.4
187.04047	0.9
189.01999	0.7
199.04004	3.9
200.04607	0.8
201.01962	0.6
207.10271	1.4
211.04044	0.8
215.03535	2.0
217.01549	0.7
225.11475	1.1
226.02745	0.7
227.03519	5.1
229.01431	0.8
242.02234	2.7
243.00456	1.2
243.03009	25.7
244.03690	2.8
254.02313	0.8
255.00304	0.7
255.03026	16.7
256.03442	2.0
257.04480	3.2
270.01727	2.7
271.02539	45.6
272.03107	5.9
285.04056	5.8
286.04797	1.9
287.05658	2.4
289.07294	0.9
299.02063	42.8
300.02811	37.9
301.00049	1.2
301.03226	1.9
313.03363	0.8
314.04407	35.0
315.05176	100.0
316.05478	6.8
332.13904	0.7
357.06216	1.1
415.14767	0.8
474.24097	0.6
486.26328	0.6
590.25018	0.6
623.16309	94.3
624.16650	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	623.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03353	0.4
58.32918	0.2
59.01273	1.2
61.98724	2.2
67.01801	0.6
68.99718	0.4
69.03381	0.8
69.49095	2.3
71.01270	3.7
72.99230	0.4
73.02869	0.5
79.01807	0.3
81.03405	0.3
83.01305	0.5
85.02844	1.2
87.00771	0.6
88.98743	0.9
89.02380	0.7
93.03399	0.7
95.01299	1.6
96.95960	1.0
97.02869	1.3
101.02371	1.2
107.01301	4.4
107.04996	0.2
109.02895	0.9
111.00813	1.6
113.02348	1.4
117.03384	13.4
118.03726	0.5
118.96449	0.2
119.04946	11.7
121.02892	0.8
121.75623	0.3
123.00811	6.4
123.01670	0.5
123.04467	0.4
124.01625	1.0
125.02374	34.3
126.02729	0.7
127.00319	0.5
131.04973	0.8
133.02896	0.3
133.06509	0.3
135.04440	0.3
136.98738	1.0
137.02353	1.2
139.00284	2.4
139.03976	0.6
139.76158	0.3
140.01108	2.0
141.01863	0.8
145.02895	42.5
146.03207	2.0
147.04424	0.4
149.02370	0.6
150.03163	0.3
151.00307	4.7
151.03912	1.0
153.01881	0.4
154.99811	0.3
158.03741	0.4
159.04466	2.5
161.02338	0.5
161.06009	0.4
163.03960	10.0
164.01062	0.3
164.04301	0.3
165.01910	0.7
166.99808	0.8
167.03429	1.0
168.00597	4.9
169.01387	49.2
170.01717	1.8
175.03931	0.8
177.01785	0.3
179.03354	0.5
181.01376	0.6
187.03978	4.0
191.03401	0.6
193.01459	1.6
195.02924	0.6
203.03354	0.3
205.04956	0.3
207.03011	0.3
211.02484	11.6
212.02718	0.6
215.66856	0.3
217.01204	0.3
221.04344	0.3
223.02386	0.8
237.04028	0.3
237.47775	0.2
241.03549	1.2
253.03436	1.0
271.04663	7.7
272.04733	0.7
289.07007	0.8
295.04675	3.3
296.04980	0.5
297.05957	0.7
300.99783	0.5
307.08063	0.9
313.05731	27.2
314.06061	1.8
403.86053	0.2
417.07776	0.3
441.07639	0.3
453.17191	0.6
459.09448	100.0
460.09796	12.3
460.16104	0.4
471.18781	1.7
477.10577	4.2
478.10239	0.7
581.48193	0.3
622.27106	0.3
623.12152	13.4
624.12140	2.2
624.20288	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1422
Annotation	Isorhamnetin 3- (6''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
57.23670	0.4
59.01300	1.1
61.98722	1.7
65.00205	0.4
67.01804	0.8
69.03367	0.6
71.01270	5.0
71.10480	0.4
72.99237	0.5
74.06704	0.4
75.00785	0.4
77.10802	0.4
77.24405	0.3
78.95785	0.7
81.03382	0.7
83.01290	0.9
85.02892	1.3
87.00811	0.4
88.35010	0.4
88.98724	1.2
89.02362	0.7
91.20821	0.3
93.03394	1.3
95.01299	1.7
96.95936	0.9
97.02869	1.8
99.00834	0.4
101.02381	1.3
104.57136	0.4
105.03365	0.4
107.01292	3.4
107.77872	0.3
109.02906	1.6
111.00827	1.2
113.02350	1.9
117.03374	13.3
117.04188	0.7
117.64816	0.4
118.03727	0.9
119.03574	0.4
119.04942	11.3
120.05303	0.4
121.02904	0.7
123.00809	6.3
123.04446	1.9
123.07226	0.4
124.01642	1.2
125.02370	40.6
126.02730	1.0
127.00315	0.7
131.04990	0.7
133.02922	0.5
135.04431	0.4
136.98747	0.7
137.02403	1.3
139.00301	2.5
139.03958	0.4
140.01108	2.0
141.01898	0.6
145.02888	41.3
146.03203	2.0
147.04471	0.5
149.02377	1.3
151.00322	4.5
151.03954	2.2
153.01878	0.4
158.03737	0.5
159.04416	2.5
161.02390	1.1
161.06093	0.5
163.03960	10.0
164.01079	0.5
164.04323	0.6
165.01895	0.9
166.99789	1.4
167.03496	1.1
168.00609	5.5
169.01379	61.4
170.01712	1.9
175.03943	0.7
177.01837	3.3
179.03445	1.0
181.01392	0.5
187.03966	4.5
188.04601	0.4
189.01949	1.9
190.02721	0.7
191.03433	0.9
193.01387	1.7
202.18520	0.4
205.05107	0.7
206.02144	0.3
211.02467	12.7
212.02844	0.8
216.00618	0.5
217.01445	1.6
219.02954	0.8
223.02509	1.0
225.11261	0.6
231.02998	0.8
241.03577	0.9
253.03481	0.9
271.04492	6.8
281.04520	0.7
283.06110	0.5
283.10358	0.6
289.07224	1.3
295.04648	3.8
297.06363	1.1
303.05179	0.7
307.08194	1.0
311.05600	0.5
313.05725	27.6
314.06021	2.3
316.66663	0.3
323.05637	0.7
341.06714	6.1
342.07101	0.7
357.26462	1.5
387.37372	0.4
417.09158	0.6
435.11032	5.3
436.11029	0.8
459.09445	100.0
460.09775	13.5
471.18588	0.7
477.10452	4.6
478.10690	0.6
587.12030	6.1
588.12506	0.7
623.13348	14.9
623.36121	0.5
624.13696	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	623.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29058	0.4
53.60079	0.3
55.82777	0.3
59.01262	0.9
71.01289	0.5
77.42391	0.3
85.02856	0.3
96.95903	2.1
97.02883	0.4
103.72533	0.3
107.01310	1.0
109.02900	0.5
117.03398	0.6
119.04950	0.6
123.00804	0.9
125.02372	4.5
136.01611	0.6
137.02419	0.7
137.70833	0.3
139.00322	0.7
142.23032	0.4
145.02901	1.8
151.00288	0.5
151.03987	1.2
161.02377	0.5
161.06105	0.3
163.04071	0.4
165.01822	0.6
166.02666	0.4
167.03537	0.4
168.00507	0.5
169.01369	5.3
170.01787	0.4
180.57971	0.4
181.05070	0.9
200.01195	1.2
202.02867	0.4
214.99744	0.7
228.00609	0.7
229.01454	0.4
242.02266	0.5
242.99384	1.8
244.00087	0.4
257.00906	0.8
258.01724	3.1
268.59323	0.4
270.98917	36.5
271.99277	3.3
282.98965	0.7
283.99722	5.5
285.00473	11.5
286.01242	7.1
297.00400	1.1
298.01126	0.6
298.98395	55.7
299.99109	17.6
300.99850	3.8
310.98508	0.4
312.99969	17.2
313.05832	1.1
314.00754	48.6
315.01367	8.9
327.01773	0.5
328.99628	0.6
357.09750	0.4
387.14566	1.6
445.04092	0.9
465.06729	2.5
466.07303	0.4
523.20264	0.4
623.10504	100.0
624.10864	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	621.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.3
61.98723	0.1
67.59681	0.1
69.49509	0.3
69.49931	0.5
71.01280	0.5
73.02825	0.1
75.03043	0.1
77.56820	0.1
78.95791	0.2
79.95633	2.2
82.12407	0.1
83.01259	0.2
85.02827	0.1
86.41087	0.1
87.00755	0.2
89.02347	0.2
91.92868	0.1
93.03368	0.1
95.01260	0.1
96.95917	100.0
97.95866	0.3
101.02321	0.3
107.01276	0.3
107.20985	0.1
109.02884	0.1
111.00769	0.2
113.02351	0.1
117.03226	0.1
121.02944	0.1
123.00797	0.8
123.04417	0.1
124.01601	0.1
125.02364	1.5
126.02773	0.1
137.02356	0.2
139.00363	0.2
140.01062	0.1
141.01895	0.2
143.74634	0.1
145.02979	0.2
149.02277	0.1
151.00322	0.5
151.03923	0.1
163.00336	0.1
168.00626	0.3
169.01366	1.4
175.03983	0.1
211.02562	0.1
254.25797	0.1
273.00638	0.1
289.07355	0.2
300.99957	0.5
306.08002	0.1
469.17310	0.2
523.21979	5.0
524.22205	0.7
561.16986	0.1
561.29395	0.1
612.64624	0.1
621.17883	0.3
621.27008	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.4
59.01273	2.7
61.98716	9.1
65.00208	1.7
67.01776	6.6
67.57726	0.7
69.03349	1.1
71.01285	2.7
71.59570	1.3
72.99219	1.4
73.16122	0.7
79.01846	1.0
81.03378	0.9
82.02908	1.7
83.01286	3.8
85.02862	2.5
86.21645	0.6
89.02354	0.9
93.03366	1.0
95.01302	1.5
96.46193	0.7
96.95918	4.1
97.02899	0.9
101.02328	0.9
107.01287	3.7
111.00798	8.2
113.02357	1.7
119.04939	1.5
121.02890	0.8
123.00803	9.5
124.01604	1.3
125.02367	18.6
126.02695	1.0
127.00313	1.4
129.01886	1.5
135.00807	1.1
136.98738	0.9
137.02376	12.8
139.00293	5.4
139.03931	1.4
140.01117	1.3
151.00317	5.7
154.99757	4.1
155.03416	0.9
158.80322	0.6
159.04466	0.9
161.02405	2.9
163.00323	27.3
164.01149	5.3
165.01897	20.8
165.02985	0.5
166.02216	1.1
167.03445	1.3
168.00626	4.2
169.01378	18.2
175.04019	2.1
177.01886	2.8
178.99852	3.4
179.03526	0.8
180.00508	1.2
182.99384	2.1
188.03453	1.4
190.99834	9.3
191.03535	1.5
191.05379	0.7
200.03490	0.9
201.02032	1.1
202.05028	1.1
203.03444	2.7
203.07257	0.7
206.99356	3.5
208.00128	10.7
209.00903	26.5
211.02481	11.2
212.02838	0.9
229.01472	1.2
230.04576	6.3
245.25708	0.7
250.01157	4.0
251.01932	0.9
271.04691	12.7
274.03662	6.5
275.03961	0.8
289.07199	1.4
300.99951	1.4
305.06677	1.4
313.05615	2.1
316.04709	3.2
353.05090	3.2
367.65704	0.8
370.05655	1.3
418.07596	1.6
436.08932	100.0
437.09305	14.5
451.10394	1.2
469.11438	2.4
548.10254	1.4
557.22498	98.7
558.22839	15.4
620.10010	1.1
622.42590	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98716	0.9
64.48105	0.9
75.53178	0.8
78.95798	100.0
80.02595	1.0
83.04905	2.8
88.58078	0.8
90.43487	0.8
94.86162	1.0
96.96861	8.3
98.19829	1.8
128.12386	0.9
134.98444	2.0
144.98888	0.9
147.46941	0.9
150.97925	0.9
152.99533	59.8
153.99782	1.0
163.11230	2.2
167.15833	0.8
209.11830	25.6
210.12160	1.2
227.12964	5.4
255.23343	76.5
256.23706	6.9
363.12207	9.9
381.13153	1.6
391.22693	17.5
392.07162	0.9
392.23117	2.5
409.23688	10.7
410.23715	1.2
432.38196	1.1
471.34607	1.2
619.36285	42.4
620.36505	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	620.127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10061	0.5
59.01279	2.6
61.98716	11.5
62.40881	0.4
65.00196	1.4
68.99719	0.6
69.03345	2.9
70.93493	0.5
71.01266	3.1
71.61813	0.7
73.02811	0.7
78.95790	1.3
79.01779	0.6
79.95643	0.6
81.03355	0.5
83.01265	0.6
85.02833	1.4
87.00742	1.2
89.02339	0.6
93.03373	0.6
95.01285	2.0
96.95285	0.8
96.95915	17.1
96.96865	1.6
97.02849	1.8
97.95872	0.5
98.95496	4.8
98.96162	0.6
101.02347	1.6
107.01295	5.9
108.02083	6.4
109.02856	2.0
111.00793	2.5
113.02368	1.1
115.91953	1.0
116.92757	1.5
121.02922	1.2
123.00802	9.5
123.04449	0.9
124.01608	1.0
125.02367	26.6
126.02715	1.2
127.00325	0.7
135.00827	2.4
135.04393	0.5
136.01593	0.6
136.98723	1.4
137.02338	1.4
138.05504	0.9
139.00296	3.4
140.01093	2.9
141.01891	0.6
143.04955	0.5
145.02867	1.8
146.03220	0.8
149.02309	0.6
149.99532	1.0
151.00322	5.4
151.03925	1.2
152.01091	10.5
153.01910	2.4
159.04483	0.7
161.02417	0.8
163.00349	0.6
163.03975	1.3
165.01828	1.6
166.99818	1.3
168.00598	11.3
169.01390	34.0
170.01665	1.6
175.03920	1.0
175.87724	0.5
177.01933	2.1
179.03381	0.8
181.01399	1.9
185.02484	0.5
187.03941	1.1
193.01392	0.8
193.98547	19.5
194.99306	4.8
211.02510	1.6
213.05542	0.8
215.03441	0.9
215.47948	0.5
223.02475	0.7
231.02997	0.6
243.43703	0.6
259.02460	1.0
266.00708	0.5
271.04770	0.6
275.05270	0.5
287.01984	1.1
296.05472	1.5
297.06241	3.6
313.05737	10.5
314.00153	0.5
314.06122	1.0
315.07193	1.2
357.26682	0.6
422.08279	3.4
449.07379	15.3
450.07596	1.1
466.07550	7.5
467.08038	0.6
557.13135	100.0
558.13470	15.0
619.22986	2.2
620.12939	0.6
620.22498	3.3
621.25635	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2574
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
70.53749	1.4
78.95684	26.8
78.96198	3.2
83.04854	1.2
83.48256	0.6
85.69431	0.7
89.42816	0.6
94.45882	0.7
96.96744	2.5
101.02239	0.7
104.83714	0.7
120.26279	0.6
152.99536	17.3
209.11795	10.4
227.12784	1.5
255.23366	25.8
256.23532	2.4
363.12274	4.2
389.15567	1.3
391.22696	7.3
401.14221	1.9
409.23438	3.3
415.15622	2.8
416.16473	12.8
417.16965	1.8
429.17145	1.8
430.18488	3.2
431.18784	1.7
434.17847	0.8
444.15735	1.7
448.15372	0.9
458.17349	0.9
459.18362	100.0
460.18723	19.1
472.20053	0.8
473.19919	15.2
474.20685	8.8
475.21048	1.3
485.16351	1.4
487.17822	1.1
501.19376	1.5
503.17221	3.6
517.18976	0.9
518.19720	46.2
519.19879	7.9
532.21307	6.7
533.22064	71.8
534.22278	11.5
544.21289	0.7
587.23218	6.7
588.23590	1.7
619.25989	73.2
619.36377	14.8
620.26154	15.0
620.36597	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	619.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28927	0.4
57.03334	1.9
59.01266	1.3
61.98716	1.4
65.00217	0.6
65.72933	0.4
67.01772	0.5
67.10289	0.4
68.99722	0.3
69.03346	2.2
69.30968	3.8
71.01263	1.1
72.00930	0.4
73.02821	0.4
78.95805	0.6
80.78581	0.4
81.02934	0.4
81.03364	1.6
83.01270	2.3
85.02855	0.4
89.02305	0.8
93.03355	4.6
95.01298	1.7
95.04926	1.1
96.95912	9.2
96.96850	0.7
97.02852	4.4
99.00729	0.4
99.04417	0.6
101.02369	0.5
107.01295	1.8
108.02068	0.8
109.02864	10.5
111.00788	1.0
113.02370	0.8
117.46816	0.4
119.04945	1.0
121.02859	2.6
122.03706	0.8
123.00806	2.7
123.04454	7.4
124.01614	0.6
125.02367	70.7
126.02699	3.0
133.02899	1.3
135.04431	1.4
137.02361	8.3
139.00307	1.6
139.03935	2.2
140.01125	1.0
143.04955	0.6
145.02901	4.8
146.03677	0.7
147.04402	0.7
149.02347	3.5
150.03198	0.9
150.61624	0.5
151.00352	0.6
151.03951	5.5
153.01967	0.4
159.04462	2.9
160.01619	1.1
160.05199	0.7
161.02344	2.2
161.06017	3.6
162.03191	1.1
163.00320	0.5
163.03990	0.8
164.01131	1.9
165.01912	3.3
165.05501	0.7
166.02458	0.4
166.99831	2.5
167.03487	1.5
168.00574	1.3
169.01379	100.0
170.01712	3.9
175.03937	2.1
175.07578	0.9
176.01122	0.5
177.01894	8.9
177.05499	1.5
179.03500	3.8
185.02435	0.6
185.06024	1.6
187.04002	3.6
188.04720	1.9
189.01915	3.2
190.02695	0.8
191.03401	1.4
193.01395	4.5
199.07668	0.5
201.01903	0.8
201.05574	0.8
202.06303	1.1
203.03505	0.8
203.07127	6.9
204.07529	0.3
205.01401	0.7
205.05048	5.5
209.04488	1.0
209.06242	0.6
211.04073	0.5
212.04745	0.4
216.00615	0.7
217.01419	2.7
217.08861	0.4
218.02045	0.5
219.03047	1.7
221.08189	0.8
227.03485	0.4
227.07143	1.9
229.05066	1.9
231.03023	1.9
232.03407	0.5
236.67392	0.4
241.05121	1.6
245.08186	10.5
246.08542	0.7
247.06140	1.3
253.05098	1.3
255.06873	0.6
259.06143	0.6
269.04672	1.2
271.06256	7.0
273.04385	0.4
275.05621	1.2
281.04538	1.0
283.06082	0.9
289.07236	43.2
290.07639	3.9
297.07889	0.9
300.99847	2.1
303.05231	1.6
303.08722	0.8
311.05759	0.6
315.08868	2.1
323.05588	2.3
341.06720	11.5
342.07065	1.1
355.08316	3.1
366.11185	0.5
373.09384	3.4
373.26355	0.4
397.09613	0.4
435.10947	18.5
436.11362	2.6
441.08231	5.1
442.08942	0.5
449.12357	3.4
450.12585	0.9
467.13672	17.4
468.13751	2.6
477.08804	1.2
493.07465	0.7
519.23669	0.4
579.83447	0.5
581.25885	0.7
582.26617	0.5
587.11993	3.2
618.28687	0.5
619.15216	7.3
619.24310	1.2
620.15167	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27647	1.3
51.56861	1.2
57.11954	1.2
57.89785	1.3
62.20737	1.4
69.03345	1.9
69.28426	15.2
71.01270	6.0
77.69462	1.4
79.32907	1.4
79.58897	1.4
81.03319	1.8
85.02827	3.7
87.97692	1.5
89.67093	1.4
92.61682	1.5
93.03378	2.0
95.01283	4.5
96.95905	4.1
97.02836	3.0
105.24461	1.4
107.01328	8.3
108.02074	16.8
109.02911	7.8
111.00792	2.1
111.61302	1.4
116.92668	1.5
123.00806	12.7
125.02374	54.5
126.02681	1.7
136.98798	1.8
137.02419	3.0
139.00279	4.6
140.01056	2.6
141.01895	1.6
149.02299	1.8
151.00334	7.8
152.01102	14.2
153.01883	9.0
154.64299	1.5
165.01903	2.4
168.00595	5.7
169.01387	84.5
170.01646	3.5
177.01909	1.6
179.03523	2.6
193.01382	4.0
194.99387	1.5
195.03059	2.4
211.02336	8.0
223.02448	2.7
241.03477	1.9
273.32233	2.0
295.04495	1.8
297.06241	4.9
300.99991	5.4
313.05762	24.0
316.02237	3.5
357.20349	1.6
423.09763	2.0
463.09146	3.5
464.09259	1.7
465.06866	24.4
466.07455	2.6
467.08325	2.4
575.10260	6.7
619.09521	100.0
620.09998	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3861
Annotation	Zamanic acid
Peak:m/z	Relative Intensity
50.00686	0.2
52.59734	0.2
59.01274	0.3
67.65212	0.2
71.72798	0.2
78.95786	0.4
98.19778	0.6
117.03374	26.4
118.03711	0.7
119.04941	16.1
120.05280	0.4
121.02878	1.9
123.04455	0.4
133.02870	0.3
145.02887	100.0
146.03236	4.1
162.03151	1.3
163.04016	1.4
175.03944	0.3
252.15314	0.3
261.48709	0.3
261.62540	0.3
453.34082	0.7
463.28748	0.3
497.32822	1.0
573.39728	0.8
617.38593	94.7
618.38959	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	617.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60437	0.3
57.03343	0.8
57.31290	0.4
59.01266	4.8
61.98721	3.2
69.03351	0.5
70.44372	0.3
71.01270	4.7
73.02847	0.9
80.02583	1.0
81.03365	1.8
83.01291	0.9
83.04919	3.4
84.02061	0.9
85.02856	1.5
87.00782	1.0
88.98708	0.4
89.02345	3.2
93.03359	0.4
95.01320	0.7
95.04938	0.7
96.95927	3.1
97.02866	0.6
98.20564	0.7
99.00811	0.7
101.02332	4.0
107.01317	1.5
107.04956	0.5
109.02877	0.8
109.86235	0.3
111.00803	0.8
113.02367	2.4
119.03426	1.0
121.02880	0.7
123.00798	1.8
123.04453	1.6
125.02370	8.1
125.06094	0.4
125.09663	1.4
126.02674	0.7
127.11243	1.7
135.04462	0.4
135.08060	0.7
136.98730	0.5
137.02350	1.4
139.00320	0.9
140.01158	0.7
145.02884	0.6
147.11755	0.4
149.02449	0.4
151.00343	1.1
151.03926	1.8
153.09149	0.6
161.02417	0.9
161.04489	1.5
161.05927	0.4
163.03923	0.5
163.11221	3.5
164.01022	0.5
165.01932	0.8
165.12813	2.5
168.00618	1.4
169.01381	8.1
170.01689	0.6
171.10226	100.0
172.10580	4.7
177.01837	0.5
179.03545	0.4
179.05507	0.9
181.12242	0.7
191.10728	0.8
201.11154	0.4
209.11819	93.1
210.12158	5.8
211.13353	1.0
227.12891	12.1
228.13237	0.9
235.08244	3.3
253.09332	8.2
254.09634	0.5
289.07242	1.5
290.07642	0.7
311.05746	0.6
313.05759	0.5
341.06775	0.6
363.21719	0.4
376.50348	0.4
407.19043	2.1
445.20853	1.2
446.21030	0.4
447.16891	0.6
455.26678	0.7
465.17752	2.4
554.26050	0.4
581.28619	0.5
599.22717	0.9
617.18750	13.7
617.34155	3.0
618.19147	2.8
618.35150	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.7
56.69927	0.5
59.01270	3.4
61.58337	0.4
61.98728	5.3
65.00186	0.5
67.01775	0.8
69.03349	0.9
71.01271	3.3
71.49307	0.4
71.54298	0.5
71.61497	0.7
72.99182	1.1
73.02876	0.5
73.82027	0.4
74.73065	0.4
75.00763	1.0
78.95793	0.6
79.01790	0.8
81.03336	0.8
82.54593	0.4
83.01279	1.3
83.04915	0.7
85.02831	1.9
87.00771	1.0
89.02332	1.2
93.03378	0.7
95.01270	2.6
96.95901	1.0
97.02856	1.6
99.00795	0.6
101.02321	2.2
105.14835	0.5
107.01310	6.5
107.01980	0.9
109.02899	0.8
109.06434	0.4
110.00011	0.5
111.00816	2.8
111.04431	0.8
113.02362	1.3
119.04961	0.5
123.00805	11.3
124.01656	2.1
125.02374	37.5
126.02722	1.6
127.00272	1.1
129.23392	0.4
135.04486	0.6
135.08066	0.9
136.98723	1.8
137.02396	1.7
139.00308	4.2
139.03917	0.5
140.01094	4.2
141.01871	1.4
143.03435	0.5
145.02844	0.5
147.04402	0.5
151.00317	6.6
151.03963	1.0
153.01883	0.7
153.39879	0.5
155.03427	0.6
156.60591	0.5
161.04449	0.6
163.04002	0.9
166.99881	0.8
168.00606	5.8
169.01387	42.4
170.01704	1.4
171.10251	6.1
172.10640	0.9
175.03836	0.6
177.01814	0.6
177.03986	1.6
193.01549	0.5
205.12418	0.5
207.03217	0.5
207.10228	0.6
207.44528	0.4
209.11836	5.2
211.02486	0.7
227.12979	0.9
237.04057	0.7
253.09113	0.7
289.07315	1.1
295.04938	0.5
299.20081	0.7
301.35895	0.6
305.21371	0.6
309.42459	0.5
313.05673	1.4
335.18372	0.6
403.23175	0.5
447.16714	5.1
447.37280	0.4
448.17068	0.8
465.17715	13.2
466.18356	1.2
492.98941	0.5
581.27783	0.6
616.33685	0.8
617.18872	100.0
618.19220	18.5
618.29449	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51561	0.3
54.58608	0.3
57.03347	0.8
57.91330	0.3
59.01268	1.8
61.98723	4.7
62.75017	0.3
65.00204	0.4
69.03349	2.1
69.29951	1.6
69.30372	2.4
71.01268	1.6
72.99237	0.4
78.95786	0.5
79.01775	0.4
79.95634	0.4
81.03353	0.8
83.01286	1.2
85.02863	0.8
87.00813	0.5
89.02348	0.9
93.03376	1.2
95.01285	2.5
95.04946	1.0
96.95928	1.8
97.02867	2.3
101.02358	1.4
105.03399	0.5
107.01302	1.9
107.04961	0.6
108.02093	5.4
109.02869	11.6
109.96409	0.4
111.00811	1.3
113.02359	0.8
117.03364	0.9
119.04922	0.7
121.02876	1.0
122.03689	0.9
123.00813	4.9
123.04443	10.5
124.01582	1.1
124.04777	0.5
125.02371	55.5
126.02739	1.6
127.00358	0.4
133.02878	1.9
134.03680	1.4
135.04454	1.4
137.02394	3.2
139.00317	1.4
139.03906	0.8
140.01076	0.9
141.01874	0.6
145.02887	5.6
146.03575	0.4
147.04451	1.8
148.01579	0.6
149.02388	3.1
149.05978	0.6
150.03188	2.6
151.00319	2.0
151.03949	8.6
158.03532	0.4
159.04457	1.2
159.98065	0.4
160.01643	1.7
161.02386	1.9
161.06038	0.8
162.03171	0.9
163.00337	0.7
163.03996	1.4
164.01125	0.7
164.04651	0.4
165.01949	1.8
165.05539	1.8
166.37514	0.4
166.99806	4.8
167.03502	0.4
168.00626	2.6
169.01382	100.0
170.01729	3.8
171.10219	4.5
173.06099	0.6
175.03955	2.9
176.01157	1.6
176.04805	0.7
177.01900	23.2
178.02284	0.9
179.03484	0.9
181.05070	0.9
183.04449	0.5
187.03975	2.9
188.04758	1.4
189.01907	19.6
189.05508	0.9
190.02679	5.0
191.03461	4.6
191.07002	0.4
193.01421	8.0
195.06641	1.2
196.07347	0.7
201.01930	1.2
203.03439	2.7
203.07141	1.3
205.01434	0.5
205.05022	0.9
209.06094	0.4
209.11833	5.0
216.00641	4.2
217.01418	16.1
218.02094	1.9
219.02995	6.2
222.01668	0.5
225.01718	0.4
227.07178	0.8
227.12852	0.5
229.05098	0.5
229.08762	0.8
231.03023	5.4
232.03656	0.7
240.04175	0.5
241.05000	0.9
244.03749	0.9
245.08211	1.3
253.05147	0.8
254.05827	0.6
255.06859	0.5
259.06177	2.8
270.05429	1.2
271.06296	3.6
273.00473	0.4
273.07593	0.6
275.01996	0.5
275.05768	0.7
279.06573	1.0
281.04675	4.8
282.05096	0.6
285.03894	0.6
285.07559	0.5
286.04861	0.5
289.07254	3.8
290.07611	1.0
297.04333	0.8
297.07770	2.9
298.04886	0.6
299.99002	0.4
300.99976	0.8
301.07263	8.8
302.07578	0.6
303.05212	3.7
304.05490	0.5
313.07275	4.0
323.05670	6.1
324.06049	0.6
325.07065	0.5
337.07370	1.3
339.04883	0.5
341.06741	43.4
342.07037	4.0
345.23038	0.6
355.08249	3.2
356.09167	0.4
447.10938	7.3
448.11539	1.4
465.12009	58.1
466.12320	8.4
491.10083	0.5
507.09381	2.9
508.09384	0.5
569.23975	1.1
617.11896	4.5
617.21423	1.7
617.32178	0.4
618.12799	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75863	0.3
57.03345	0.4
59.01271	1.2
61.98711	0.7
62.66293	0.3
65.00232	0.4
65.27451	0.3
67.01780	0.7
67.47935	0.3
69.03342	1.8
71.01270	0.9
73.02796	0.4
76.25315	0.4
79.01797	0.5
81.03348	1.0
83.01289	1.0
83.04919	0.5
85.02824	0.6
88.90359	0.3
89.02347	0.5
89.03876	0.6
91.01790	0.4
93.03387	0.7
95.01288	1.5
95.04938	0.9
96.95912	1.5
97.02864	1.8
101.02369	1.0
103.99845	0.3
107.01303	0.9
108.02076	8.7
109.02866	13.5
111.00806	0.4
117.03370	0.9
119.04942	0.7
121.02872	1.4
122.03647	0.4
123.00797	4.3
123.04441	13.6
124.01581	1.0
125.02366	54.0
126.02711	1.7
131.04991	0.4
132.02039	0.4
133.02890	3.8
134.03656	0.8
135.00858	0.6
135.04434	1.2
137.02386	2.0
139.00322	0.8
139.04002	0.3
140.01086	0.4
141.01689	0.5
145.01794	0.7
145.02890	7.9
147.04446	2.7
148.01546	0.7
149.02399	2.1
150.03183	1.1
151.00333	0.7
151.03949	6.2
159.04480	2.0
160.01599	2.7
161.02408	2.1
161.06036	0.8
162.03238	0.4
163.00308	0.8
163.03941	0.8
165.01860	1.1
166.99820	4.8
168.00569	1.5
169.01381	91.5
170.01701	3.1
171.10211	9.3
175.03954	5.0
176.01115	1.3
177.01897	46.5
178.02171	2.0
179.03386	0.6
180.41763	0.4
187.03979	3.0
188.04597	0.7
189.01901	35.0
190.02666	8.6
191.03476	8.5
193.01402	4.4
194.77156	0.4
201.01952	2.6
203.03485	4.4
203.07156	0.6
205.05066	0.9
209.11818	8.2
216.00667	5.6
217.01413	33.7
218.02019	3.6
219.02985	11.2
220.03418	0.5
227.07008	0.9
227.13016	1.0
228.04276	0.7
229.08693	0.4
231.00703	0.5
231.03003	9.1
232.03532	1.1
233.04501	0.8
235.07848	0.4
241.05173	0.4
242.05844	0.5
245.04509	0.6
245.08168	0.9
251.07231	0.4
253.05040	0.9
253.09322	1.1
255.03027	0.6
257.04547	1.0
258.05402	0.6
259.06174	2.0
271.06247	4.1
273.07837	0.6
275.05630	2.1
279.06540	0.7
280.03851	0.4
281.04565	2.3
285.04193	0.8
289.07242	5.3
290.07571	0.4
293.04919	0.5
295.06049	0.7
297.04041	1.6
297.07724	2.0
298.04709	0.8
299.05649	1.0
301.00079	0.4
301.07227	9.8
302.07651	0.6
305.04684	1.0
308.03363	0.9
313.07352	3.9
321.04083	0.5
322.04782	2.3
323.05664	18.6
324.05933	1.5
325.07217	0.7
326.04385	0.4
337.07233	5.7
338.07474	0.6
339.04907	0.7
341.06732	62.5
342.07080	6.1
345.22992	0.6
349.31464	0.5
355.08209	5.0
356.08640	0.5
440.33829	0.4
447.10956	14.0
448.10785	1.7
463.10425	0.9
465.11990	100.0
466.12393	13.3
467.09982	1.0
491.09830	1.2
507.09592	3.0
508.09213	0.5
573.13977	0.5
573.30780	0.4
599.13416	0.5
599.23114	0.4
617.13068	12.7
618.12958	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	617.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	2.0
59.01237	0.6
63.02266	0.8
65.00214	4.0
65.80521	0.6
68.22896	0.7
70.19084	1.5
70.19473	2.1
81.03350	1.9
83.01281	8.5
84.22743	0.6
85.26175	0.6
96.95918	2.1
98.20475	0.7
107.01298	5.7
109.02854	0.7
123.00799	0.8
123.04450	0.7
125.02370	12.0
142.14374	0.7
151.00313	42.3
152.00639	1.5
161.02370	0.7
163.22609	0.7
165.52013	0.6
166.99873	1.1
169.01379	100.0
170.01680	3.5
174.22311	0.7
177.01813	0.7
178.01587	0.6
217.14948	0.8
222.60503	0.6
255.03044	1.4
267.08258	0.8
271.02542	2.6
300.02844	4.8
301.03583	3.6
327.05118	0.8
390.10693	0.7
447.09390	5.9
448.09991	0.9
617.11566	1.0
645.72931	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1166
Annotation	Taxillusin
Peak:m/z	Relative Intensity
57.03341	6.9
59.01265	0.8
65.00189	0.9
65.82446	0.7
67.01774	0.7
68.74422	0.6
69.03341	0.9
70.95493	2.0
71.01266	1.9
75.65189	0.6
79.01807	0.8
83.01276	2.2
83.32232	0.7
93.03346	0.8
95.01292	3.0
96.95935	1.6
97.02853	0.8
101.02393	0.9
107.01278	6.4
109.02869	2.4
111.00788	1.5
115.00370	0.7
121.02879	2.7
123.00803	5.7
123.04443	2.1
124.01582	2.4
125.02369	76.6
126.02709	1.9
127.00335	0.6
133.02859	3.0
137.02383	2.2
139.00314	2.7
139.03929	2.2
140.01024	0.8
141.01912	1.0
145.02899	0.8
146.03690	1.3
146.27914	0.7
147.00754	1.0
147.04456	1.7
148.01622	1.4
149.02402	8.3
150.03142	1.8
151.00308	9.4
151.03946	5.4
152.01093	6.3
153.01849	2.7
159.04485	0.9
161.02394	2.5
161.06032	1.5
162.99153	0.7
163.00319	4.0
163.03960	1.1
165.01927	1.5
165.05527	0.9
166.99821	0.9
168.00592	2.5
169.01385	48.5
170.01698	2.1
171.04390	1.6
172.05214	0.8
173.02370	1.1
174.03192	2.4
175.03969	10.1
176.01094	2.7
177.01895	15.6
178.02290	0.7
178.99826	8.6
187.03848	1.0
188.04732	1.5
189.05511	9.9
191.03436	1.7
193.05013	1.0
194.99258	1.1
199.03992	3.5
201.01813	1.6
201.05508	0.9
203.03653	1.1
211.02338	1.5
211.04108	1.0
212.04700	1.4
213.05505	1.5
214.02579	0.8
215.03526	1.6
216.04233	1.8
217.01660	1.2
217.05064	22.9
218.02229	5.8
218.05380	1.0
219.02872	2.2
227.03566	0.8
228.04305	0.8
229.01317	1.0
229.05072	0.9
231.06683	3.2
239.03540	1.1
240.04308	1.8
241.05145	11.6
242.02255	0.9
243.02963	3.3
245.04556	0.7
255.03113	1.5
256.03714	2.1
257.04559	2.4
258.05374	1.3
259.06192	15.3
260.06607	1.1
267.03009	1.8
271.04926	1.0
275.02213	1.5
275.05515	1.1
284.00110	0.8
284.03281	16.5
285.04102	55.4
286.04407	3.3
289.07376	1.1
301.00024	8.0
303.05246	2.3
313.05731	24.5
314.06091	1.5
327.05075	1.6
339.07446	3.9
379.09854	0.8
391.14078	0.7
403.10477	1.9
447.09546	5.5
463.08792	3.7
465.10544	6.6
466.10715	0.9
491.08447	11.4
492.08606	0.9
512.04266	2.7
531.12311	1.3
531.19476	0.7
533.09766	1.3
555.11438	1.8
573.12231	3.3
593.05719	1.9
599.10602	41.1
600.11011	6.9
602.06085	0.8
616.58246	1.2
617.11609	100.0
618.11993	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	7.9
59.01267	1.4
65.00211	2.1
69.03310	1.1
71.01268	2.6
73.68868	0.8
77.76310	0.9
81.03367	1.2
83.01288	3.9
85.02852	1.2
93.03351	1.1
95.01309	1.4
97.02879	0.9
107.01299	9.3
109.02869	3.3
109.83437	0.9
111.00812	1.3
121.02885	2.4
123.00783	7.2
123.04439	2.9
124.01567	2.5
125.02370	100.0
126.02718	3.9
135.00783	1.2
137.02380	2.7
139.00275	2.1
139.03926	1.5
140.01079	2.0
149.02385	9.5
150.03142	1.3
151.00317	22.7
151.03928	1.9
152.01004	1.3
153.01886	16.2
161.02350	1.6
163.00316	15.7
163.04068	1.0
165.01845	1.9
166.99765	1.2
167.03442	1.3
168.00565	5.4
168.30283	0.9
169.01379	48.8
170.01718	1.8
171.04506	1.5
174.03146	1.9
175.00438	1.9
175.03995	12.7
176.01120	3.9
176.04312	1.4
177.01901	13.1
178.02203	1.0
178.99846	6.0
181.01410	2.2
187.04185	0.9
188.04826	1.1
189.05591	3.8
191.03502	1.2
193.05075	1.1
197.06070	1.0
199.03972	5.9
205.01350	1.1
211.02423	7.6
216.04340	0.9
217.05045	8.7
229.74124	0.9
231.06567	1.0
241.05257	5.0
243.03088	1.6
253.83199	0.8
256.03970	1.7
257.04456	1.0
259.06137	2.2
267.03110	1.5
271.04712	4.0
275.05701	6.4
284.03265	10.4
285.04092	29.8
286.04572	2.6
296.98251	1.0
299.05911	1.8
300.99796	1.2
303.05176	10.3
304.05243	1.1
312.04935	2.0
313.05731	42.2
314.06125	3.6
327.05283	1.7
439.08875	5.8
465.06671	5.1
466.07373	5.2
467.08481	1.9
477.06985	2.5
493.06421	4.8
494.06757	1.8
495.08176	1.6
589.12286	12.7
590.11804	1.3
599.01044	1.9
599.10571	32.4
600.10870	5.4
617.11646	68.8
618.11798	12.2
619.45172	1.0
640.10321	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1163
Annotation	Taxillusin
Peak:m/z	Relative Intensity
52.44831	1.3
57.03344	6.6
62.36626	0.8
63.02288	1.0
65.00204	4.1
69.78558	5.8
71.01264	2.8
75.37830	0.9
81.03365	1.1
82.41600	1.0
83.01280	4.1
83.37630	0.9
93.03371	1.4
95.01275	2.3
107.01302	12.4
109.02863	1.6
111.00791	1.9
113.02368	1.4
121.02876	1.3
123.00768	6.5
123.04440	3.0
124.01573	2.4
125.02370	100.0
126.02738	3.2
133.22078	1.0
135.00746	1.1
136.98759	1.2
137.02292	2.2
139.00272	2.1
139.03963	1.3
140.01108	2.6
147.04483	1.4
149.02406	8.9
150.03110	1.3
151.00317	25.2
151.03943	2.2
152.00856	1.7
153.01892	18.4
163.00317	14.4
165.01938	1.6
167.03528	1.7
168.00571	4.7
169.01384	47.2
170.01643	1.8
171.04420	1.0
174.03119	1.2
175.00320	1.5
175.03938	10.9
176.01082	4.1
177.01892	10.6
178.02275	1.2
178.99820	6.6
181.01527	2.3
185.25487	0.9
188.04739	1.7
189.05515	2.9
191.03543	1.7
195.02965	1.3
199.04005	6.2
201.01880	1.2
211.02478	8.5
213.05530	1.2
216.04190	1.1
217.05084	7.9
223.04126	1.1
241.05263	5.1
243.02902	1.7
256.03888	1.7
257.04623	2.1
259.06226	2.5
267.03119	1.3
271.04657	2.9
275.05701	8.1
284.03326	9.3
285.04105	29.5
286.04526	2.0
303.05280	7.6
304.05405	1.1
312.05081	1.9
313.05722	36.0
314.05960	2.4
314.75247	0.9
327.05151	1.2
439.09076	5.6
452.35788	0.9
465.06982	3.7
466.07581	4.1
467.08072	2.6
477.06726	3.2
493.06299	3.6
494.64011	1.2
495.07660	2.1
589.12262	7.4
590.12378	1.4
599.10498	29.7
600.10925	3.9
611.52020	1.0
617.11621	49.8
618.11908	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	617.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	7.2
59.01241	0.9
59.26251	0.6
62.03555	0.6
63.12511	0.6
63.22463	0.5
65.00192	2.4
65.44296	0.6
67.01760	1.3
69.03342	1.3
71.01264	2.9
71.21798	0.6
71.59719	0.6
71.60108	0.7
79.13563	0.5
79.80267	0.5
81.03336	1.3
83.01275	2.6
85.02839	1.3
87.00799	0.6
93.03346	1.8
95.01295	3.8
97.02850	1.6
101.02348	1.0
106.40600	0.6
107.01301	9.0
107.04871	0.8
108.02080	1.2
109.02888	3.0
111.00785	3.3
113.02365	1.5
121.02880	1.7
123.00813	10.5
123.04440	2.8
124.01590	4.7
125.02373	100.0
125.75181	0.6
126.02731	2.5
133.02879	6.2
135.04474	1.0
136.98732	1.4
137.02405	2.1
139.00294	3.2
139.03954	2.9
140.01123	3.4
141.01884	1.5
143.91876	0.7
146.03659	1.1
147.04456	1.9
149.02394	9.9
150.03166	2.9
151.00333	11.5
151.03961	10.0
152.01103	6.8
153.01891	3.4
159.04524	1.2
161.02368	1.1
161.06042	2.6
163.00360	2.9
163.03992	0.7
164.01103	0.7
165.01952	1.8
166.99879	2.7
167.03455	0.8
168.00571	4.5
169.01398	73.5
170.01740	2.7
171.04463	1.1
172.05286	0.9
173.02463	0.7
173.06035	0.6
174.03160	2.9
175.03978	6.0
176.01149	4.4
177.01886	5.8
178.99825	4.4
179.03568	1.5
181.01390	1.3
187.03981	0.8
188.04822	2.4
189.05566	12.6
190.05923	0.8
191.03560	1.9
193.01462	2.7
193.05045	3.8
199.04048	1.9
201.01921	0.9
201.05540	0.8
202.84282	0.8
211.02391	3.5
213.05641	0.7
215.03577	1.3
215.07205	1.1
216.04314	2.3
217.05057	34.2
218.02164	3.3
218.05492	2.0
219.02960	3.8
231.06609	3.0
235.02547	0.7
235.05988	0.7
241.05135	2.3
257.04654	1.4
258.05319	1.6
259.06180	29.5
260.06613	2.1
267.02957	1.5
271.04602	1.0
275.05887	1.9
283.02838	0.9
284.03293	4.1
285.04120	53.0
286.04419	5.0
289.07483	1.0
295.04745	2.1
297.06375	1.8
301.00055	1.2
303.05304	2.0
313.05762	24.5
313.08932	1.3
314.06296	1.4
379.10428	0.8
381.08691	2.4
421.11484	6.2
437.10846	1.4
439.09238	2.7
447.09607	14.7
447.15390	0.9
448.10251	1.3
449.07510	0.8
463.09244	5.2
464.09860	0.8
465.11395	11.3
466.10898	0.9
491.08978	1.7
531.11908	2.5
573.12677	9.0
574.13116	0.9
599.10651	22.6
600.10779	3.2
607.84485	0.8
617.11682	67.9
618.12006	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	616.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22776	0.1
59.77454	0.1
61.98718	100.0
62.98405	0.1
69.29813	1.0
69.30217	0.3
70.81575	0.1
78.95821	0.2
80.42828	0.1
96.95921	0.2
125.02316	0.1
146.63086	0.1
153.56064	0.1
192.32193	0.1
240.23738	0.1
244.18933	0.1
362.98679	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	615.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.6
59.01269	4.4
61.72986	0.5
61.98718	4.9
64.56064	0.5
67.01785	1.1
71.01272	4.2
71.56426	0.5
72.99197	1.1
73.02829	1.0
74.66254	0.5
75.88015	0.5
79.01781	0.9
83.01273	1.7
85.02856	2.3
89.02314	1.0
95.01294	2.3
96.95939	2.4
97.02841	0.9
99.00732	1.0
101.02338	2.3
107.01281	4.0
109.02877	1.1
109.06481	0.6
110.00002	0.7
111.00788	3.1
113.02365	1.8
119.04974	0.8
123.00806	15.1
123.04438	1.4
124.01632	1.0
124.12995	0.5
125.02373	20.1
126.02681	0.8
127.00275	1.1
135.04488	0.7
135.08089	2.9
136.98798	1.3
137.02377	1.7
139.00316	4.7
139.04018	0.4
140.01108	3.4
141.01874	2.1
145.02982	0.6
151.00308	10.9
151.03955	1.7
153.01898	0.6
161.02402	0.7
161.04602	0.6
161.05984	0.6
163.03979	1.0
165.01828	0.8
168.00641	3.9
168.01891	0.6
169.01385	19.3
170.01756	0.9
171.10262	3.9
175.03944	0.7
177.01895	0.9
179.03452	0.6
205.05109	0.8
207.10223	2.6
211.13463	1.4
225.11345	1.7
226.46915	0.5
253.09267	0.5
267.68335	0.6
275.01944	0.8
289.07230	2.1
301.00018	1.3
313.05759	1.0
461.31348	1.3
552.25439	1.1
553.26471	0.8
582.82941	0.6
597.40466	1.4
615.34064	100.0
616.34497	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	0.7
61.98715	0.9
67.01798	1.0
70.89693	0.8
71.01264	0.8
76.25795	0.3
85.02819	0.3
88.98684	0.3
93.03387	0.5
96.95911	2.5
98.86414	0.3
101.02320	0.3
107.01288	0.7
109.02869	1.8
109.37515	0.3
113.02354	0.4
115.43201	0.3
121.02878	1.3
122.03661	1.5
123.00851	1.4
123.04446	0.7
124.01588	0.7
125.02372	4.3
132.02090	0.6
133.02856	0.4
134.03699	0.3
135.00795	0.3
135.04440	1.0
136.01578	2.7
137.02374	17.2
138.02661	0.7
139.00313	0.8
139.03889	0.6
140.01117	0.4
145.02910	0.9
147.00822	0.4
147.04422	0.4
148.01572	0.4
149.02390	3.9
149.05981	0.7
150.03162	11.6
151.00317	1.5
151.03963	3.0
152.04689	0.3
153.01880	0.4
154.02666	0.3
160.01715	0.7
161.02390	0.9
162.03258	0.5
163.00313	0.5
163.03952	1.3
164.01134	3.1
164.04723	0.9
165.01883	100.0
165.05511	12.1
166.02188	4.4
166.05920	0.5
166.99898	0.4
169.01360	2.9
175.03928	0.7
177.01930	0.3
177.05576	0.6
179.03459	26.5
179.07091	1.2
180.04239	59.7
181.04614	2.7
182.02335	0.3
188.04770	0.4
189.05536	0.9
190.06323	1.1
191.07153	0.9
193.05032	0.7
194.05830	5.7
195.03027	2.9
195.06602	78.0
196.06943	4.1
205.05043	0.4
205.08624	1.0
207.06583	1.0
208.07379	0.8
210.05309	11.5
211.05666	0.4
215.07071	0.3
223.09799	0.6
225.07684	66.1
226.08026	4.3
229.04930	0.3
241.08868	0.3
242.09557	0.7
242.45949	0.3
257.11890	0.4
259.06104	1.6
268.07266	0.4
269.08362	0.4
270.09012	1.3
282.08994	0.4
283.06201	0.5
283.09714	0.7
284.06927	0.4
284.10037	0.4
285.11316	1.5
286.08615	0.4
287.05750	1.2
289.07294	0.8
295.09821	0.3
297.07489	0.5
297.11182	0.5
298.08502	0.7
298.11993	0.4
299.09314	1.5
299.12686	0.6
300.99905	0.7
301.10880	0.6
301.20325	0.4
311.09412	0.7
313.10971	1.0
314.08066	1.3
315.08630	0.4
324.09906	0.4
325.10770	0.9
326.08041	0.7
326.11404	0.6
327.08966	0.5
327.12360	2.0
328.13211	5.7
329.10342	3.8
329.13693	0.5
330.10986	1.0
341.10309	5.0
341.13864	0.6
342.10980	0.5
343.11835	0.4
343.15350	1.5
344.12695	6.2
345.13300	1.1
356.12689	2.0
357.13324	0.9
359.15085	16.5
360.15414	1.6
371.15048	14.1
372.15628	1.6
373.13162	0.3
375.14496	0.7
387.09464	0.4
389.16159	7.4
390.16443	0.4
419.17050	0.3
436.11102	0.3
463.25497	1.3
491.17169	0.6
493.18774	0.5
507.16830	0.8
509.80209	0.3
522.18939	0.7
537.20917	4.0
538.21802	0.6
549.21265	0.5
552.20203	0.8
553.21033	0.4
567.22449	44.6
568.22821	9.9
587.21271	0.4
615.12708	0.6
615.24463	8.7
616.25378	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	615.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06314	0.7
59.01261	1.8
61.98717	4.3
65.00228	1.3
66.00867	3.8
67.35493	0.7
71.01262	0.9
71.61396	0.9
71.61778	0.8
83.01292	1.1
92.60699	0.7
95.01273	1.0
96.95899	1.0
101.02364	0.8
107.01285	5.7
109.02863	2.6
121.02818	1.2
123.00787	2.6
125.02377	15.0
137.02367	1.2
138.21593	0.8
139.00308	0.8
140.16211	0.7
149.02414	1.6
151.00331	10.4
151.03912	0.8
153.56056	0.7
161.02415	2.2
163.00325	3.4
165.01849	2.0
168.00589	1.3
169.01367	17.4
170.01695	1.0
177.01891	2.1
178.99832	6.0
190.02660	0.7
193.01373	1.4
203.03462	1.0
211.04120	1.1
211.09712	1.0
226.02832	0.9
227.03514	1.7
231.02939	1.1
243.02960	5.1
243.60907	1.1
245.04393	1.0
254.02176	1.4
255.03038	19.3
256.03506	0.8
271.02524	35.3
272.03033	3.3
275.01788	1.0
283.02499	2.2
299.01849	1.1
300.02823	91.6
300.99896	3.2
301.03510	44.7
302.03857	2.3
313.05637	2.7
327.05200	3.5
346.59125	0.8
353.76215	0.7
463.08969	31.1
464.09058	2.6
606.27502	0.8
615.09991	100.0
616.10419	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	615.101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56858	0.5
52.84471	0.5
55.65923	0.4
59.80037	0.5
63.02303	1.9
65.00214	4.1
71.01305	0.6
73.02863	0.6
81.03374	0.6
81.17425	0.5
83.01285	3.1
87.70979	0.5
97.02890	0.6
98.20536	1.7
107.01306	10.6
109.02868	7.0
111.00815	1.7
119.01328	0.7
123.00820	2.0
124.01579	1.6
125.02374	20.5
126.02724	1.1
136.98776	0.6
137.02379	20.2
139.00330	0.9
140.01129	1.8
149.02377	0.6
150.03183	1.4
151.00314	40.5
152.00749	1.8
159.04549	0.8
161.02438	0.8
163.00287	4.6
164.01164	1.2
165.01907	2.9
165.05544	2.2
167.99365	0.5
168.00572	3.3
169.01387	30.9
170.01689	1.3
175.04007	0.7
178.99826	34.9
180.00224	1.6
183.04405	0.7
189.01881	0.7
190.99722	1.1
192.00603	2.6
193.01389	2.1
195.06578	1.2
199.03967	1.1
203.03516	0.9
211.02434	2.6
214.02721	1.9
215.03433	1.1
217.05280	0.6
227.03551	2.3
242.02202	1.6
243.03041	2.9
245.04599	0.7
255.03117	0.6
259.02557	1.5
261.04083	1.5
270.01776	2.9
271.02496	19.2
272.02945	1.7
281.00848	0.6
287.02045	7.7
288.02692	1.1
289.03638	0.8
297.06262	3.2
299.01953	1.9
300.02701	1.2
313.06003	0.6
315.98529	1.0
316.02313	31.8
317.03085	95.9
318.03445	6.9
419.16998	1.2
430.14569	0.6
463.09076	4.8
464.09274	0.6
483.07904	2.3
615.09998	100.0
616.10315	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39888	0.2
59.59924	0.2
65.00201	0.4
69.35597	1.7
69.36008	0.5
83.01263	0.3
94.77214	0.2
107.01289	1.1
109.02861	0.6
118.11954	0.2
123.31415	0.2
124.01603	1.0
125.02365	1.1
135.00859	0.2
136.01569	0.2
137.02382	2.0
149.95793	0.2
151.00320	5.4
152.01035	0.5
163.00317	1.0
164.01103	1.0
165.01900	0.4
169.01440	1.1
177.02010	0.2
178.81606	0.2
178.99837	5.2
180.00191	0.4
181.78137	0.2
185.85973	0.2
192.00552	0.4
193.01227	0.3
203.03389	0.5
204.04170	0.4
214.02716	3.6
215.03410	0.4
224.97069	0.2
227.03467	0.8
231.02997	0.4
242.02254	3.4
243.03003	1.5
244.03577	0.3
245.04694	0.3
255.02783	0.4
259.02518	2.7
270.01721	4.9
271.02530	24.1
272.02884	1.7
287.02057	13.0
288.02557	2.0
299.02066	0.5
315.01575	0.3
316.02313	75.5
317.02963	19.6
318.03574	1.1
463.08932	100.0
464.09290	12.2
464.15952	0.5
468.74869	0.2
471.34320	0.3
483.07565	0.4
615.13098	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17604	0.3
59.01254	1.6
63.02280	1.7
65.00207	5.7
67.01765	0.6
69.03325	0.4
70.22670	0.4
71.01261	2.8
72.99162	0.4
79.01795	0.6
81.03368	0.6
83.01274	3.4
85.02848	0.4
87.00755	0.4
93.03358	1.5
95.01277	0.9
96.95908	0.5
97.02839	0.7
101.02370	0.8
107.01295	15.8
109.02874	1.8
111.00789	0.8
113.02359	0.7
121.02859	3.8
123.00799	4.5
123.04426	0.4
124.01556	0.6
125.02372	29.0
126.02682	0.9
126.89856	0.4
131.01308	0.9
136.98779	0.6
137.02408	1.0
139.00316	1.7
139.03954	1.0
140.01120	0.8
141.01926	0.6
143.05008	0.5
149.02385	1.3
151.00313	46.2
152.00656	1.6
153.01947	0.5
157.21703	0.5
159.04471	0.6
161.02388	0.8
163.00343	1.0
163.03905	0.6
164.01097	0.7
165.01863	1.2
167.03529	0.5
168.00592	1.6
169.01381	39.8
170.01672	2.2
173.02243	0.5
175.00323	2.9
175.03879	0.5
178.99814	6.8
185.06032	0.5
193.01396	1.6
201.05507	0.6
211.02435	3.5
213.01996	0.5
214.37354	0.5
227.03491	1.1
229.05186	0.7
239.03256	0.5
241.03508	1.2
243.03050	0.6
245.04565	0.7
255.03038	1.8
257.04529	1.2
271.02191	0.6
271.04596	2.1
273.04089	0.8
277.03610	0.6
289.07294	0.8
300.02789	4.2
301.03601	58.1
302.03925	4.1
313.05728	20.2
313.09409	0.9
314.06009	1.0
343.04395	0.6
421.07614	0.6
436.13980	1.4
465.06931	7.4
466.07596	0.7
493.06314	1.9
599.93414	0.5
615.10040	100.0
615.95087	0.6
616.10388	15.6
620.41626	0.5
627.66351	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
61.49817	0.3
61.98701	0.4
63.02287	2.8
65.00204	3.7
69.34812	3.9
81.03358	0.8
83.01279	2.7
94.59898	0.3
105.21410	0.4
107.01296	10.4
109.02866	6.7
116.58584	0.3
123.00816	1.4
124.01595	1.1
124.82934	0.4
125.02377	8.8
135.00800	0.6
137.02379	18.2
138.02708	0.6
140.01094	0.5
150.03151	0.4
151.00313	34.3
152.00754	1.2
155.04871	0.4
160.31836	0.4
163.00327	3.2
164.01120	1.0
165.01900	2.5
165.05574	0.4
169.01385	8.5
171.04478	0.7
175.04044	0.7
178.99831	27.4
180.00247	1.2
187.04018	0.5
189.05550	0.5
190.99835	1.0
192.00607	2.1
193.01381	1.6
195.06573	0.5
199.03986	1.3
201.01898	0.5
203.03502	0.6
207.03178	0.4
211.02396	0.9
214.02704	1.0
215.03500	1.0
227.03557	2.7
242.02182	1.5
243.03021	2.7
245.04558	0.7
255.03012	0.5
259.02533	1.6
261.04144	1.2
270.01807	1.7
271.02499	11.3
272.03015	1.2
287.01990	4.3
288.02695	0.9
289.03595	0.6
297.06323	0.8
299.02072	1.9
300.02274	0.7
315.01559	1.0
315.98474	0.7
316.02292	18.1
317.03085	100.0
318.03439	8.0
463.08890	4.1
483.08115	0.8
528.46216	0.4
615.09998	42.3
616.10376	6.9
617.74615	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.4
59.01266	3.3
61.98710	2.5
64.16903	0.3
67.01769	0.8
68.99738	0.3
69.03337	0.4
71.01270	2.7
71.58490	0.4
72.99184	0.6
73.02835	0.6
79.01788	1.3
83.01270	0.8
85.02831	1.3
87.00761	0.3
88.98687	0.9
89.02332	0.6
95.01271	2.1
96.95911	0.8
97.02821	0.6
99.00819	0.4
101.02338	1.3
107.01291	3.0
109.02814	0.4
111.00790	2.3
113.02332	0.7
122.56701	0.3
123.00806	12.9
124.01613	0.4
125.02370	14.3
126.02714	0.4
127.00311	0.7
136.05188	1.0
136.98689	1.2
137.02368	0.5
139.00311	3.9
140.01074	2.7
141.01884	1.7
149.02301	0.5
151.00310	8.0
151.07614	2.8
153.01897	0.7
163.04025	0.4
168.00638	2.8
168.53564	0.4
169.01389	17.3
170.01727	0.6
179.03322	0.4
195.02901	0.4
197.11829	0.6
211.02385	0.5
253.03770	0.4
289.07254	0.8
299.20239	5.9
300.20370	0.6
306.60522	0.3
313.05719	0.8
420.45822	0.4
433.33411	1.8
451.34036	0.4
494.04285	0.5
551.25104	1.4
613.26636	100.0
613.39099	5.9
614.26965	20.1
614.39752	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82563	0.5
59.01269	2.8
60.99191	11.9
61.98717	9.5
63.04381	0.4
64.89518	0.5
71.01273	3.0
71.57018	0.7
73.02863	0.5
83.01283	1.1
85.02837	1.1
88.98701	69.2
89.02339	1.0
89.99039	0.5
95.01296	1.7
96.95925	1.8
99.00779	0.6
101.02356	1.9
107.01308	2.5
107.01934	0.5
109.02856	1.5
111.00793	1.7
113.02335	0.9
119.03390	0.8
119.73530	0.4
123.00798	10.3
123.04422	1.1
125.02378	13.3
126.02702	0.6
135.00832	0.6
135.04388	0.7
136.98734	0.8
137.02380	1.3
139.00327	3.3
140.01079	2.1
141.01830	1.1
142.09541	0.4
145.02821	0.8
149.02371	1.0
151.00328	7.7
151.03954	1.2
153.01892	2.0
161.02449	0.6
161.06111	0.6
163.00313	0.6
163.03932	1.1
165.01884	0.5
166.99861	0.6
168.00604	2.8
169.01401	15.1
170.01712	1.1
175.03850	0.7
177.01881	1.0
177.05635	0.5
191.05797	0.8
209.15822	0.4
211.02405	1.2
268.75555	0.4
271.04675	1.5
273.00409	0.6
289.07227	1.6
300.02823	0.7
300.99921	1.5
301.07150	0.5
313.05881	1.0
365.83597	0.5
447.09286	0.9
451.14532	2.5
523.21954	100.0
524.22308	17.8
551.14270	0.5
613.26404	0.6
615.52124	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	0.6
59.01266	1.7
60.99197	9.0
61.98705	0.7
67.01779	0.8
69.03352	0.7
69.28041	3.7
71.01266	2.2
72.99202	0.7
73.02838	0.8
73.08962	0.4
75.00770	0.6
79.01810	0.3
81.03342	0.5
83.01279	0.7
85.02856	1.2
87.00854	0.4
88.98705	58.4
89.02341	1.0
89.99041	0.6
95.01295	1.3
96.95911	0.7
97.02867	0.4
101.02353	2.0
107.01309	2.4
108.02078	1.1
109.02884	0.9
111.00803	1.1
113.02359	1.0
117.03341	0.6
119.04947	1.0
123.00808	9.2
124.01609	0.7
125.02377	16.7
126.02714	0.6
127.00275	0.6
136.98779	0.8
137.02412	0.9
139.00284	3.2
139.03923	0.5
140.01099	1.7
141.01878	1.2
145.02924	1.9
146.03220	0.4
147.04453	0.3
151.00299	6.9
151.03947	0.7
152.01071	1.5
153.01738	0.7
161.02469	0.4
163.03984	1.2
165.01917	1.8
166.02603	0.5
168.00581	1.9
169.01390	20.0
170.01715	1.2
175.04036	0.5
177.01874	0.5
179.03470	0.7
180.04214	0.7
181.05035	0.5
193.05089	0.5
195.06680	1.7
211.02466	0.7
225.07706	1.3
269.66660	0.4
271.04810	0.9
273.12503	0.4
289.07431	0.6
295.04599	0.6
298.55893	0.4
301.00101	0.6
301.03577	0.5
313.05826	1.5
313.12018	0.4
334.29858	0.4
347.07690	0.4
375.40561	0.4
398.20523	0.4
452.18439	0.6
461.07236	1.2
465.06918	1.0
473.93723	0.4
523.21997	100.0
524.22314	16.5
565.20709	1.0
569.13135	0.6
598.64429	0.4
613.12067	8.4
613.22955	4.3
614.12476	1.7
614.23407	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17174	0.2
59.01252	0.4
61.98703	0.4
63.95969	0.2
69.30268	2.1
78.95310	0.4
78.95795	17.7
79.95627	2.6
96.95909	100.0
96.96855	32.4
97.95815	0.3
98.02374	0.8
98.03036	0.2
99.75044	0.2
160.33601	0.2
253.09267	0.3
277.21765	1.7
333.05154	0.3
346.75729	0.2
351.06250	0.6
624.36377	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03350	4.0
58.00497	0.9
59.01267	54.9
61.98718	4.7
69.03340	6.8
69.59662	3.2
69.60069	1.7
71.01273	14.8
71.04910	0.8
72.99203	0.9
73.02853	2.0
75.00756	1.1
83.01316	1.1
85.02856	3.9
87.00790	1.4
88.98719	2.5
89.02341	9.8
93.03349	1.7
95.01284	1.3
96.86590	0.6
96.95902	2.9
97.02888	1.2
100.61925	0.7
101.02350	8.6
101.45541	0.7
101.66383	0.7
101.81582	0.6
108.50478	0.8
113.02357	6.4
113.06047	0.8
119.03417	4.7
119.04950	0.8
121.02846	1.5
122.03643	1.5
123.00805	1.8
123.04385	1.1
123.08028	0.7
125.02367	6.8
125.05991	0.9
129.19505	0.8
137.02362	2.4
138.06760	1.5
139.00346	0.9
139.07582	1.0
139.11217	16.3
140.01083	0.8
140.11636	0.7
143.03412	0.7
145.02940	1.1
149.02383	1.9
149.04462	0.7
150.03188	6.2
151.00337	1.5
151.03967	1.1
151.07570	2.7
152.08377	3.0
153.09152	10.6
159.02956	1.4
160.01715	0.7
161.02429	1.7
161.04514	4.9
161.09662	0.9
163.00330	2.3
165.01915	1.4
165.05530	7.1
168.00478	0.9
169.01369	5.2
175.03938	1.3
176.01128	0.9
177.01910	1.1
179.03471	1.3
179.05527	4.4
179.10780	1.6
183.10242	100.0
184.10583	4.6
189.09186	0.8
190.02861	0.8
190.99814	8.3
192.00455	1.7
195.06638	4.3
197.11896	1.3
198.21841	0.8
205.12280	4.9
206.02202	10.6
207.02904	1.6
209.08234	1.9
211.02483	0.9
223.13370	5.7
225.11374	1.4
289.07220	1.2
300.99930	2.0
367.17715	2.7
385.18790	16.8
386.19040	1.9
512.21631	0.7
533.17834	0.8
549.23584	4.0
551.28711	3.7
563.15918	1.3
571.32086	1.0
611.17615	2.4
611.27124	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	611.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10068	0.1
51.35210	0.2
59.01266	100.0
60.01605	0.9
61.96411	0.1
70.07866	0.5
70.08279	0.3
71.01269	0.4
80.26167	0.1
88.30011	0.1
95.01313	0.3
96.95934	0.4
97.02869	0.1
101.02339	0.3
107.01356	0.3
109.02847	0.3
110.90246	0.2
113.02358	0.2
119.04951	0.3
123.00817	0.4
125.02385	2.0
135.04417	0.2
137.02373	0.3
139.00423	0.2
141.45163	0.1
145.02885	0.2
147.04454	0.2
147.92799	0.2
150.03197	0.4
151.03996	0.4
160.01656	0.3
161.02428	0.2
161.04492	0.3
163.00314	0.3
164.01030	0.2
165.01920	0.3
165.05405	0.2
169.01402	1.6
170.01689	0.2
173.02383	0.1
175.04019	0.2
177.01912	0.3
185.02420	0.2
190.02721	0.2
191.05585	0.2
201.02031	0.2
211.02589	0.6
221.06731	0.3
232.74348	0.1
242.09584	0.4
257.11844	0.2
270.09064	0.7
271.04819	0.7
271.09464	0.2
273.00546	0.3
284.07159	0.3
285.11484	1.0
286.08731	0.4
289.07318	0.2
298.08640	0.6
299.09229	0.8
299.99194	0.2
301.00000	1.5
301.10980	0.3
310.08734	0.3
311.09433	0.4
313.11072	0.4
314.07986	1.0
323.09418	0.3
324.10339	0.3
325.11111	0.5
326.08084	0.5
326.11551	0.2
328.51575	0.2
329.10388	3.1
329.14175	0.2
330.11002	0.3
341.10352	3.5
342.10727	0.3
344.12711	5.4
344.16797	0.3
345.13345	0.4
356.12714	1.6
357.13202	0.3
359.15094	15.0
360.15451	1.8
371.15082	10.0
372.15384	1.0
389.16275	0.3
467.91922	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.7
57.60155	0.8
59.01269	5.6
60.99189	0.8
61.98718	6.5
67.01767	0.8
69.03334	1.4
70.19231	1.2
70.19588	2.6
71.01265	2.0
72.99198	2.4
85.02875	1.0
87.00781	1.6
88.98696	3.2
89.02298	1.1
93.03348	1.7
95.01289	2.0
95.04967	0.8
96.68265	0.7
96.95904	3.2
101.02356	1.5
103.00246	1.2
105.01847	9.2
105.03366	2.5
107.01350	0.7
107.04948	0.8
108.02076	2.3
108.13850	0.7
109.02872	3.3
111.00854	1.1
113.02358	0.9
117.03404	0.7
120.02114	2.0
121.02852	2.9
123.00797	4.4
123.04408	1.7
124.01629	3.9
125.02367	5.8
128.23138	0.7
132.02084	2.9
133.02873	3.0
135.04509	0.9
137.02399	7.8
138.03148	4.4
139.00299	2.0
139.03899	4.2
145.02875	1.9
147.04420	1.6
148.01593	1.7
149.02388	9.1
150.03119	2.7
151.00320	12.2
151.03940	8.8
151.79501	0.7
152.01088	6.2
153.01830	2.1
153.05432	0.7
154.02695	0.7
159.00854	1.4
160.01572	6.1
161.02396	31.8
162.02777	1.5
162.50140	0.7
163.03922	2.3
164.04758	6.3
165.01852	2.8
165.05489	2.0
166.01265	1.5
166.02670	26.9
167.03473	8.0
168.00548	0.8
169.01355	3.7
175.00357	1.3
175.03918	2.6
176.01118	22.4
176.04723	18.0
177.01889	9.4
177.05170	1.2
178.02646	1.8
179.03464	43.9
179.07027	7.9
180.03743	2.1
181.05029	17.7
182.05316	1.0
190.02698	1.8
191.03476	20.4
191.07118	9.5
192.04272	6.0
193.05017	2.7
194.02179	5.5
194.05830	42.5
195.03000	0.8
195.06139	2.6
203.03506	1.5
205.05089	1.3
205.12343	1.5
206.05782	0.9
207.06557	3.6
209.04634	30.7
209.08179	100.0
210.04910	1.7
210.08525	5.7
219.06551	1.0
220.03711	0.9
235.06081	7.9
253.05177	0.8
273.07626	3.3
307.93771	0.7
371.11465	7.1
372.11801	1.1
373.13406	1.1
386.10217	1.0
387.10934	8.4
388.11816	6.2
398.91830	0.8
401.12488	55.3
402.13040	12.8
403.14081	9.2
416.74310	0.8
549.22961	1.6
593.20465	2.3
610.99603	1.4
611.29956	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	611.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03356	1.1
59.01268	2.3
59.15541	0.5
61.98722	0.7
63.02318	0.7
65.00224	1.1
66.73217	0.4
68.99716	0.5
69.03355	0.7
69.61624	1.1
69.62035	2.2
70.00126	0.4
70.00568	0.4
71.01279	6.3
73.02846	1.2
79.01818	0.6
79.67650	0.5
81.03368	0.8
83.01300	1.8
85.02857	2.1
87.00793	0.8
88.98724	0.5
89.02350	0.9
91.39336	0.4
93.03365	0.5
95.01286	1.7
95.39156	0.5
96.95924	2.2
97.02877	1.3
98.20517	1.0
101.02361	3.3
107.01305	8.9
109.02886	1.4
111.00787	1.6
112.71007	0.4
113.02368	2.1
117.03359	0.6
119.03143	0.4
119.04997	0.8
121.02880	0.7
123.00809	10.2
123.04439	1.4
124.01645	0.6
125.02372	61.3
126.02719	2.3
136.98741	0.6
137.02408	1.0
139.00281	3.1
140.01117	1.8
141.01833	1.2
145.02895	1.3
147.04449	3.4
149.02409	2.4
151.00328	15.4
151.03972	1.3
152.00717	0.5
154.53337	0.5
161.02353	0.7
163.03981	0.7
165.01917	1.8
166.99870	0.6
168.00604	3.3
169.01396	81.9
170.01715	3.9
175.04047	1.6
177.01910	1.3
178.99907	1.1
179.03491	0.6
182.19348	0.5
189.05679	0.7
190.02676	1.1
191.03493	90.3
192.03857	4.7
193.01471	0.7
199.04152	0.5
203.03494	1.1
210.19286	0.6
211.02501	2.5
223.02481	0.6
229.05229	0.6
233.04543	0.7
241.03584	2.3
243.02969	0.6
253.03564	1.1
255.02968	0.9
259.06226	0.6
271.02350	2.3
273.07773	1.1
285.04120	1.8
297.07755	8.5
298.07999	0.8
300.02838	7.0
300.99945	2.6
301.03546	7.1
303.05072	1.1
313.05734	100.0
314.06027	7.7
397.63983	0.5
401.41913	0.5
447.09528	8.2
448.09604	1.5
449.08829	2.0
460.68356	0.5
465.08408	0.8
480.36206	0.5
505.09784	2.3
551.27148	0.8
558.42828	0.5
593.13617	0.6
611.14124	87.2
612.14539	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54961	0.4
55.01773	0.4
57.03335	0.8
59.01261	2.9
61.98713	1.9
65.00219	0.9
67.01781	0.5
68.99700	0.4
69.03338	1.0
69.66416	1.0
69.66835	1.9
71.01263	6.3
71.89074	0.4
72.99193	0.7
73.02835	0.8
75.00787	0.7
76.88971	0.5
78.95817	0.6
79.01801	0.5
79.38978	0.3
81.03381	0.5
83.01280	1.1
85.02847	1.7
87.00762	0.8
88.98683	0.9
89.02361	0.9
93.03368	1.4
95.01268	2.2
96.95905	2.9
97.02854	1.5
99.00822	0.6
101.02356	2.5
103.05421	0.7
105.03355	1.1
107.01293	11.5
109.02851	0.9
110.00060	0.5
111.00752	2.1
113.02377	2.8
117.03419	0.5
119.04959	1.0
121.02901	0.6
123.00796	10.2
123.04472	2.0
124.01599	1.3
125.02368	65.1
126.02695	1.6
136.98720	0.8
137.02393	1.9
139.00333	2.7
139.03983	0.9
140.01074	2.8
141.01875	1.3
145.02847	0.9
147.04468	4.8
149.02406	3.3
151.00301	14.7
151.03938	1.6
153.01842	0.9
161.02391	0.8
163.00354	1.0
163.03920	1.1
163.95235	0.4
165.01898	1.3
166.99762	0.7
167.03372	0.6
168.00615	4.1
169.01376	88.6
170.01694	3.0
175.03966	1.4
177.01837	0.9
178.99825	1.5
179.03455	0.8
181.01270	0.5
189.05505	0.7
190.02704	0.7
191.03470	100.0
192.03784	4.8
203.03523	1.2
205.05188	0.4
211.02460	3.1
211.13322	0.7
217.05045	1.0
233.04515	0.8
241.03554	1.5
243.02930	1.0
253.03491	0.9
255.03020	1.7
271.02499	4.5
273.07849	1.2
285.03983	1.1
289.07306	1.0
297.07755	7.9
298.02094	0.5
298.08002	0.6
300.02805	7.7
300.99863	1.2
301.03506	8.3
303.05087	0.5
313.05713	97.7
314.06085	5.6
366.78024	0.5
391.13644	0.6
447.09464	10.0
448.09842	1.4
449.08789	1.8
465.08652	1.0
505.09982	1.8
551.27246	1.6
611.14124	90.9
612.14514	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	609.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	1.5
61.85936	0.4
61.98709	1.5
62.88366	0.4
65.00212	1.9
65.91731	0.4
68.99714	0.6
69.64410	3.1
71.01269	1.9
72.99186	0.6
75.00761	2.4
83.01275	1.3
85.02853	0.8
89.02352	0.5
93.03352	2.6
95.01280	1.6
96.95908	1.0
97.02823	0.6
99.00851	0.7
101.02383	0.8
107.01305	2.1
108.02112	1.1
109.02849	1.8
110.00008	1.8
111.00816	2.2
117.03352	1.3
121.02834	1.6
123.00779	1.9
123.04438	1.3
124.01578	1.3
125.02353	5.8
135.00787	0.9
135.04472	0.5
136.98708	1.3
137.02362	1.8
137.99446	0.7
139.00337	3.4
141.01834	0.6
141.59535	0.4
143.04922	0.9
145.02884	1.3
148.01610	0.5
149.02425	1.1
151.00319	8.2
151.03903	0.9
152.01147	2.6
153.01857	1.4
155.05031	0.6
159.04482	1.5
161.02428	1.3
163.00262	2.2
164.01099	0.9
165.01866	0.8
165.99033	3.6
166.99792	2.5
169.01419	3.6
171.04482	2.1
173.02386	0.8
173.06052	1.0
175.03951	0.9
177.01900	1.0
178.99820	4.2
179.03542	0.5
181.01410	0.6
182.03583	0.6
183.04509	2.0
185.06100	0.9
187.03986	2.8
189.05667	0.6
192.00587	0.6
193.01349	0.9
193.98547	0.5
198.03215	1.6
199.04010	2.2
201.05577	1.9
205.05034	0.6
209.00964	0.9
211.04056	2.5
215.03493	2.0
215.17097	0.4
216.03995	0.5
217.04996	0.7
226.02715	2.6
227.03513	6.7
228.04152	1.0
229.04962	2.1
231.03145	0.6
239.03488	1.0
243.03014	11.3
244.03708	1.7
245.04607	1.2
254.02264	3.0
255.03035	28.8
256.03458	3.3
257.04639	3.1
258.04831	0.6
269.04523	0.6
271.02512	32.6
272.03214	9.4
273.00626	0.6
273.04034	1.3
282.01608	1.1
283.02542	10.6
284.03061	1.2
285.03961	2.5
299.01974	1.0
300.02805	44.1
300.99966	2.2
301.03513	32.9
302.04147	2.7
302.07141	0.5
343.04755	0.7
435.25687	0.5
447.09854	0.6
489.12714	0.7
549.25702	1.2
570.28973	0.5
591.13885	1.5
609.14783	100.0
610.15106	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	609.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88851	0.2
63.02282	0.7
65.00224	1.6
65.18363	0.2
69.87306	1.5
83.01295	1.1
83.53624	0.2
91.01765	0.3
107.01283	3.1
108.02126	1.4
109.02876	1.6
118.13541	0.2
121.02878	2.0
123.00730	0.3
124.01576	0.4
125.02414	0.4
135.00827	1.1
145.14981	0.3
148.01566	1.3
149.02396	0.8
151.00319	11.8
152.00720	0.6
159.04436	0.3
162.69153	0.3
163.00311	3.0
163.03906	0.4
164.01036	0.7
165.01906	0.4
169.01392	1.0
171.04424	0.3
173.42073	0.3
178.99832	5.3
187.03915	0.6
192.00606	0.3
193.01198	0.3
199.03995	1.0
201.01904	0.4
201.05603	0.5
203.03452	0.4
209.89069	0.3
211.04008	0.9
215.03563	0.7
216.04317	0.6
226.02702	1.6
227.03485	2.9
228.04189	0.4
229.05067	0.6
243.03012	11.4
244.03526	1.0
245.04558	1.4
254.02238	2.1
255.03030	27.3
256.03433	1.9
257.04492	0.3
266.02206	0.3
271.02539	56.9
272.02969	5.4
273.04086	1.1
283.02484	0.9
284.03082	0.3
299.02078	1.7
300.02820	83.2
301.03531	35.3
302.03909	2.5
343.04553	0.5
395.14743	0.3
447.09183	0.6
463.09277	0.3
609.14746	100.0
610.15070	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	609.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.0
65.00219	0.7
71.01242	0.6
71.58292	0.8
83.01300	0.7
89.02361	0.5
93.03333	0.4
95.01270	0.4
96.95879	0.6
101.02361	0.4
107.01311	2.1
108.02065	1.2
109.02872	0.5
111.00756	0.5
121.02873	0.8
123.00764	0.7
125.02383	2.2
135.00786	0.8
137.02405	0.6
147.00758	0.5
148.01611	1.7
151.00310	4.4
152.00981	0.5
161.02440	0.5
163.00323	1.4
164.01106	0.6
165.01886	0.6
169.01389	3.3
175.03944	0.4
177.01852	0.7
178.99818	3.0
191.03484	0.5
199.04027	0.9
207.62894	0.4
211.04077	0.6
215.03502	0.6
216.04279	0.5
226.02725	1.5
227.03517	3.7
229.01512	0.5
243.03009	10.8
244.03412	1.0
254.02287	2.0
255.03023	27.4
256.03375	1.9
271.02533	56.0
272.02975	5.9
273.04004	0.5
284.03387	3.4
285.04089	3.1
289.07101	0.4
299.02087	2.4
300.02826	100.0
301.03317	11.9
313.05847	0.4
385.07700	1.0
394.95914	0.4
445.07623	0.5
447.09665	0.4
489.10190	0.6
549.25293	0.8
609.14746	83.3
610.14990	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	609.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	1.5
61.85936	0.4
61.98709	1.5
62.88366	0.4
65.00212	1.9
65.91731	0.4
68.99714	0.6
69.64410	3.1
71.01269	1.9
72.99186	0.6
75.00761	2.4
83.01275	1.3
85.02853	0.8
89.02352	0.5
93.03352	2.6
95.01280	1.6
96.95908	1.0
97.02823	0.6
99.00851	0.7
101.02383	0.8
107.01305	2.1
108.02112	1.1
109.02849	1.8
110.00008	1.8
111.00816	2.2
117.03352	1.3
121.02834	1.6
123.00779	1.9
123.04438	1.3
124.01578	1.3
125.02353	5.8
135.00787	0.9
135.04472	0.5
136.98708	1.3
137.02362	1.8
137.99446	0.7
139.00337	3.4
141.01834	0.6
141.59535	0.4
143.04922	0.9
145.02884	1.3
148.01610	0.5
149.02425	1.1
151.00319	8.2
151.03903	0.9
152.01147	2.6
153.01857	1.4
155.05031	0.6
159.04482	1.5
161.02428	1.3
163.00262	2.2
164.01099	0.9
165.01866	0.8
165.99033	3.6
166.99792	2.5
169.01419	3.6
171.04482	2.1
173.02386	0.8
173.06052	1.0
175.03951	0.9
177.01900	1.0
178.99820	4.2
179.03542	0.5
181.01410	0.6
182.03583	0.6
183.04509	2.0
185.06100	0.9
187.03986	2.8
189.05667	0.6
192.00587	0.6
193.01349	0.9
193.98547	0.5
198.03215	1.6
199.04010	2.2
201.05577	1.9
205.05034	0.6
209.00964	0.9
211.04056	2.5
215.03493	2.0
215.17097	0.4
216.03995	0.5
217.04996	0.7
226.02715	2.6
227.03513	6.7
228.04152	1.0
229.04962	2.1
231.03145	0.6
239.03488	1.0
243.03014	11.3
244.03708	1.7
245.04607	1.2
254.02264	3.0
255.03035	28.8
256.03458	3.3
257.04639	3.1
258.04831	0.6
269.04523	0.6
271.02512	32.6
272.03214	9.4
273.00626	0.6
273.04034	1.3
282.01608	1.1
283.02542	10.6
284.03061	1.2
285.03961	2.5
299.01974	1.0
300.02805	44.1
300.99966	2.2
301.03513	32.9
302.04147	2.7
302.07141	0.5
343.04755	0.7
435.25687	0.5
447.09854	0.6
489.12714	0.7
549.25702	1.2
570.28973	0.5
591.13885	1.5
609.14783	100.0
610.15106	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	609.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76509	3.4
57.03331	10.3
64.01561	3.5
65.00207	4.8
69.17763	3.3
71.01283	4.5
71.59437	7.3
81.03329	5.5
83.01279	8.9
85.02883	4.5
88.31895	3.2
93.03329	7.8
97.02848	8.1
99.00797	5.4
103.31568	3.8
109.02876	30.4
111.00792	25.6
121.02877	12.2
123.00797	13.2
123.04425	18.1
124.01552	3.5
125.02373	100.0
126.02736	4.1
133.02873	11.0
135.04428	9.3
137.02394	47.6
139.00293	23.4
139.03922	8.2
141.01866	17.3
147.04482	4.8
149.02426	18.0
151.00308	7.9
151.03978	11.9
153.01886	33.2
159.04478	7.6
161.02396	32.9
161.05914	5.3
163.00310	10.4
163.03969	15.4
164.01115	10.7
165.01886	24.5
167.03448	15.1
169.01404	8.0
174.03154	4.0
175.03951	22.1
177.01904	75.8
179.03537	5.6
181.05031	6.9
184.95819	3.4
187.03934	7.4
189.01843	5.5
191.03471	7.3
193.01405	25.9
199.03996	5.2
201.01927	4.1
203.03453	12.9
203.07191	4.8
205.01431	6.7
205.05119	6.6
215.03595	7.8
217.05038	9.7
219.02936	11.3
227.03548	6.4
229.05148	8.4
231.02975	13.7
231.06480	5.6
233.04721	4.4
241.04984	4.8
243.03049	10.6
245.04662	12.3
245.08142	4.7
247.02658	4.6
255.02965	6.9
257.04642	7.1
259.02539	8.5
259.06244	5.6
261.04150	9.0
271.02499	15.2
273.03983	4.1
275.05310	4.6
281.04523	4.7
283.02673	7.5
285.04044	12.1
287.05640	6.3
289.07169	12.2
299.01962	10.9
299.05951	6.6
301.03546	16.3
303.05225	16.0
305.06827	12.6
319.04523	5.3
321.06403	22.5
329.06818	4.7
374.25082	4.4
395.08014	4.0
407.07721	9.0
423.06995	8.8
439.06897	12.5
441.08292	11.3
457.07980	18.8
483.09943	6.2
517.73334	3.8
609.13934	25.4
618.19769	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	606.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	0.7
58.89318	0.6
59.01260	1.9
66.00871	0.9
67.01776	1.2
68.99727	0.5
69.03351	0.8
69.64960	3.5
71.01263	6.8
71.56308	0.5
72.99203	0.9
79.01778	1.2
81.03342	0.9
83.01277	1.1
85.02842	2.8
87.00814	0.9
93.03424	0.8
95.01293	4.1
96.95907	3.3
96.99236	0.6
97.02859	2.0
98.19783	0.8
101.02364	1.1
105.33973	0.6
107.01295	8.1
109.02875	1.4
111.00842	2.8
113.02345	2.8
119.04915	0.9
121.02889	1.2
123.00813	15.7
123.04420	1.4
124.01627	2.9
125.02374	58.2
126.02728	2.0
127.00289	1.2
136.98740	1.8
137.02379	2.5
138.03206	0.5
139.00287	6.6
139.03896	0.9
140.01103	4.3
140.07100	10.7
141.01924	2.6
145.02986	0.6
149.02403	2.3
150.03165	0.7
151.00310	7.6
151.03925	1.0
152.00739	0.7
153.01875	1.2
161.02359	1.5
163.03979	1.0
165.01920	1.4
166.99843	1.5
167.03462	2.1
168.00604	6.9
169.01385	88.2
170.01714	4.6
173.04544	0.8
175.00282	0.6
175.03925	0.8
177.01826	1.3
178.99806	0.6
179.03461	2.4
181.01468	1.3
191.03447	1.4
191.05470	0.7
193.01392	4.8
194.01814	0.6
195.03008	0.8
207.02933	0.9
211.02499	6.9
223.02501	1.7
238.34512	0.6
241.03500	1.2
247.02473	1.3
253.03589	1.1
261.00443	0.6
273.00345	0.7
284.03305	0.8
289.07202	1.2
295.04803	2.5
297.06348	3.1
299.05722	1.7
300.99969	2.1
313.05728	28.7
314.06094	2.0
436.12845	0.6
449.34113	0.8
454.13553	2.4
465.06796	33.7
466.07480	3.9
605.28845	0.7
606.14795	100.0
607.15515	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	605.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01272	27.7
61.98714	31.5
65.15723	2.1
71.01274	15.8
71.56719	2.8
72.30009	2.3
72.99213	3.2
73.02833	2.3
78.95799	7.2
82.68120	2.2
85.02849	3.7
88.98717	5.0
89.02347	12.1
96.95928	18.0
96.96894	3.1
99.77449	2.4
101.02343	15.3
102.91557	2.2
111.00827	2.5
111.08079	17.0
113.02364	6.2
119.03401	2.5
123.00820	6.0
125.02388	15.7
126.82744	2.4
131.03458	2.4
151.00316	2.6
151.03952	4.0
161.04478	6.6
168.00525	3.3
169.01399	9.2
169.12297	6.6
179.10739	2.7
197.11810	84.3
199.13445	6.2
207.78462	2.5
209.11856	3.1
211.13376	14.2
247.02376	2.5
253.09340	44.1
263.20428	5.7
265.18430	2.6
291.19760	19.6
309.20782	100.0
310.21060	8.8
481.28442	2.6
545.29480	9.0
605.26428	31.0
605.34772	6.9
606.26642	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	605.2425
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
56.36835	0.4
69.43243	3.1
76.92201	0.3
106.06546	0.3
155.61786	0.3
160.88863	0.3
245.68028	0.3
254.65410	0.3
334.62906	0.3
416.16803	0.6
428.16714	0.4
429.16821	0.7
430.18216	1.5
443.19278	0.6
444.19434	0.4
453.16824	0.4
456.15674	0.4
457.20880	1.9
459.17862	2.7
460.18430	0.6
461.23724	0.6
470.21277	0.6
471.18219	1.7
472.19458	0.8
473.19922	4.1
474.20282	1.0
475.21027	0.7
485.20044	2.0
485.24374	1.0
486.20773	4.0
487.21228	1.4
496.19305	0.8
499.17859	2.1
501.23856	3.0
502.20428	1.0
510.20673	0.4
511.21368	2.1
512.22162	0.7
513.19556	2.3
514.20258	8.5
515.20551	1.9
517.19012	0.4
518.19672	1.7
528.22198	1.0
529.22607	100.0
530.22955	16.7
530.31146	0.8
532.21381	1.3
533.21887	1.6
546.24384	0.4
561.25342	1.0
573.21765	1.3
605.24225	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	3.3
57.58456	0.4
65.03836	0.7
67.01787	1.0
69.03335	1.7
69.34031	2.3
69.34470	2.3
73.99027	0.5
77.16365	0.4
78.94576	0.4
81.03357	3.6
83.01266	7.1
83.04931	1.0
86.18465	0.5
92.92299	0.4
93.03355	6.4
95.01289	2.1
95.04916	1.9
96.95913	1.3
97.02854	6.1
97.80405	0.6
106.43529	0.5
107.01284	1.9
107.04924	3.1
108.02095	0.5
109.02859	22.6
110.03293	0.6
111.00787	1.2
117.03384	1.8
119.04942	27.8
120.05254	0.9
121.02883	4.3
121.06545	0.7
122.03629	0.6
123.00805	2.8
123.04436	15.1
124.01568	1.0
124.04759	0.8
125.02365	60.7
126.02716	2.6
131.04913	1.0
133.02866	1.0
133.06532	3.5
135.04459	3.9
137.02374	21.9
138.02997	0.6
139.00261	0.6
139.03958	3.4
143.04942	0.8
145.02892	10.7
145.06371	0.5
146.03690	2.7
147.04437	1.1
149.02361	7.3
149.06044	0.5
150.03130	1.3
151.03952	16.5
152.04274	0.8
153.01846	0.8
153.93257	0.5
155.10435	0.5
157.06497	1.1
159.04457	10.0
159.08070	1.9
160.05197	1.1
161.02368	2.2
161.06017	18.4
162.03207	2.3
162.06343	0.7
163.03926	5.7
164.01146	2.6
164.04549	0.6
165.01923	5.0
165.05548	1.5
166.02235	0.6
166.99829	1.6
167.03448	1.2
167.04913	0.6
168.00482	0.6
169.01378	34.7
170.01762	1.6
171.04274	0.4
173.06027	1.4
174.03139	0.9
175.03925	2.9
175.07526	3.0
177.01839	2.2
177.05576	1.4
179.03442	6.8
183.04459	1.5
184.05246	0.8
185.06075	4.9
186.06680	0.6
187.03975	9.2
187.07594	0.8
188.04724	3.4
189.01881	1.7
190.02608	1.1
191.03473	2.2
193.01378	4.1
193.05003	0.5
196.05327	0.7
199.07608	1.4
200.04744	0.6
201.05531	2.3
201.09158	2.6
202.06256	1.7
203.03468	1.0
203.07120	28.6
204.04306	0.7
204.07558	2.6
205.01353	0.9
205.05058	17.7
206.05382	1.5
209.06053	1.8
209.70187	0.6
211.04013	1.4
211.07690	0.7
213.05650	1.3
217.01418	1.9
219.03035	0.7
221.08185	2.6
224.04515	0.5
225.05553	1.1
226.06374	0.9
227.03543	0.9
227.07140	5.7
229.05118	4.9
229.08632	3.0
230.05586	0.9
230.08850	0.5
231.03003	2.7
241.05116	1.2
245.08220	24.4
246.08563	1.7
247.02457	1.2
247.06111	2.8
253.05121	1.4
253.08727	1.5
255.06577	0.6
256.03766	0.7
257.08249	1.4
259.06183	0.8
269.04648	0.7
271.06210	17.8
271.09769	2.9
272.06570	1.1
273.07663	0.8
279.06711	1.7
289.07239	100.0
290.07565	9.1
297.07764	7.4
298.08170	0.9
300.99945	1.0
301.07239	8.9
302.07480	0.7
303.05182	1.6
305.11752	0.5
311.05756	0.8
315.08820	21.9
316.09158	2.0
341.06616	7.1
342.07062	0.9
347.12851	0.9
349.11060	0.6
391.12033	0.9
393.09787	0.6
435.10919	21.0
436.11420	4.3
437.12292	0.8
441.08362	11.6
442.08582	1.5
453.12003	82.6
454.12372	13.5
461.09332	0.5
467.09863	1.5
587.11615	2.4
605.13190	24.6
606.13568	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32127	0.4
57.84134	0.4
60.70641	0.4
68.74429	0.4
71.01279	0.4
83.44293	0.4
95.01281	0.4
96.95927	0.5
110.03102	0.4
110.91933	0.4
113.02417	0.4
117.03367	1.3
119.04958	1.0
121.02891	0.5
123.00798	0.4
125.02380	2.8
133.02902	1.4
137.02432	0.6
145.02888	3.3
147.04478	1.5
149.02397	0.6
159.04492	0.4
161.02438	3.5
163.03969	2.9
165.01947	0.4
169.01437	2.0
173.02412	4.5
175.03981	1.6
177.01872	0.9
179.03429	0.4
189.01921	5.4
190.02632	1.7
191.03508	7.9
197.48570	0.4
201.01910	4.5
203.03595	0.8
205.01456	0.5
212.33644	0.4
217.01437	28.6
218.01923	2.4
219.02988	4.4
229.01433	2.9
238.85840	0.4
245.00948	27.4
246.01530	3.9
247.02527	100.0
248.02885	6.6
273.00482	73.0
274.00851	5.6
288.99933	0.8
289.07083	0.5
291.01563	29.4
292.01913	2.2
300.99930	0.4
303.26675	0.4
333.02606	1.6
363.03925	0.4
393.04575	1.5
435.05826	4.5
436.05914	0.4
453.06833	38.4
454.07208	3.6
537.57068	0.4
547.09094	0.4
605.07953	43.1
606.08252	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	605.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58756	0.7
54.01389	0.7
61.53644	0.7
70.12583	3.0
73.42434	0.6
77.66487	0.6
83.95277	0.7
96.95929	1.1
98.63531	0.8
117.03416	0.9
119.04930	0.8
125.02370	4.8
133.02849	1.5
137.02362	1.3
138.02841	0.7
139.00316	0.7
142.00354	0.6
145.02939	3.0
147.03410	0.6
147.04454	2.4
154.99789	0.6
159.04436	0.8
161.02414	4.2
163.00410	1.5
163.03915	1.4
165.01877	1.9
169.01408	2.9
173.02443	4.2
175.03979	1.8
177.01924	1.2
189.01904	7.0
190.02611	1.9
191.03514	6.8
192.03761	0.6
201.01906	2.5
203.03499	0.9
216.00635	0.8
217.01422	26.6
218.01915	2.0
219.03035	4.0
229.01514	3.2
231.02974	0.7
244.00137	0.8
245.00949	29.2
246.01495	4.0
247.02516	100.0
248.02875	6.9
263.02029	1.2
273.00476	82.5
274.00842	7.5
288.99850	1.2
289.07306	1.8
291.01556	28.6
292.01947	2.2
300.99985	1.4
303.05194	0.7
333.02570	1.3
393.04660	1.8
405.11285	0.7
435.05844	9.6
436.06284	1.0
453.06805	32.9
454.06857	4.1
605.07935	41.7
606.08228	8.2
625.77191	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.5
57.54101	0.3
58.32080	0.3
59.01273	0.6
59.57095	0.3
59.99745	0.3
60.23579	0.5
63.28188	0.4
66.16686	0.4
67.01768	0.6
69.03336	0.7
70.59876	0.4
70.79237	0.4
71.01273	4.9
71.61663	0.7
71.62032	0.6
72.99225	0.5
78.95772	0.5
79.01780	0.4
82.95306	0.7
83.01283	1.1
85.02860	1.2
87.24577	0.4
95.01288	1.5
96.95917	1.4
97.02854	0.8
101.02346	1.5
107.01302	6.6
108.02090	1.5
109.02871	1.0
111.00793	2.1
113.02356	2.0
116.88629	0.4
122.03659	0.7
123.00811	8.1
123.04474	0.6
124.01605	0.8
125.02372	43.6
126.02712	1.7
127.00336	0.4
128.07079	0.5
131.35806	0.4
135.04483	0.5
136.98706	0.9
137.02359	2.0
138.01917	8.0
138.03018	0.7
139.00323	2.8
139.03955	0.8
140.01060	1.4
141.01881	0.8
145.02835	0.5
149.02420	2.0
150.02065	0.6
150.03180	3.5
151.00323	5.1
151.03880	1.2
153.01884	1.1
161.02402	0.8
163.00233	0.5
163.03981	0.8
164.01151	0.6
165.01904	1.2
165.05534	3.9
166.05865	1.0
166.99825	1.7
167.03459	1.4
168.00604	4.0
169.01384	63.6
170.01727	2.5
175.03951	0.7
177.01894	1.3
179.03444	1.4
179.85359	0.5
180.04156	0.5
181.01459	0.6
181.04936	0.4
191.03500	0.6
193.01418	4.0
195.02922	0.4
195.06581	2.9
196.07126	1.3
205.04929	0.4
211.02467	5.4
211.09723	0.6
221.04659	0.6
223.02443	2.1
235.02483	1.0
235.46672	0.5
241.03508	0.7
247.02496	0.9
253.03676	1.1
270.17346	0.4
273.00385	0.7
289.07248	1.2
295.04672	2.2
297.06323	2.4
300.99899	1.5
302.00089	0.6
313.05734	23.3
314.06033	1.5
343.11874	0.5
465.06842	100.0
466.07199	10.9
541.22443	0.8
556.22888	0.6
603.30042	0.6
604.09448	2.3
605.09558	1.0
614.57318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02254	0.2
58.61467	0.2
59.01252	1.1
61.98707	0.9
71.01266	0.5
71.56494	0.2
71.56921	0.2
78.95796	7.5
79.95625	2.6
83.01227	0.2
85.02847	0.2
89.02342	0.4
96.95918	100.0
96.96828	13.4
97.02829	0.3
97.95843	0.2
98.02391	0.4
101.02364	0.5
107.01347	0.2
108.34105	0.2
109.02871	0.3
113.02372	0.2
123.00817	0.2
123.04426	0.5
125.02380	3.8
126.02712	0.3
134.03661	0.3
137.02429	0.8
145.02898	0.3
149.02341	0.2
151.03958	0.6
157.08627	0.2
162.05563	0.2
165.01872	0.5
169.01392	6.1
170.01756	0.4
175.03935	0.3
193.01427	0.4
209.11829	0.2
209.88954	0.2
245.08182	0.2
275.01740	0.2
289.07336	0.5
289.18140	0.2
301.06958	0.2
374.96356	0.2
381.23428	0.3
441.19434	0.5
451.14249	0.9
453.08621	0.2
505.34387	0.2
543.28546	0.6
567.24554	0.2
603.14996	0.5
603.24292	0.4
603.37726	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41931	0.1
56.41010	0.1
57.03322	0.1
59.01283	0.6
61.98718	0.9
63.04987	0.1
71.01270	0.5
71.58556	0.2
73.02839	0.3
78.95796	7.3
79.95630	2.4
82.95332	0.1
83.01293	0.2
83.02400	0.2
85.02850	0.2
88.16975	0.1
89.02346	0.3
95.01283	0.2
96.95918	100.0
96.96824	13.1
97.02777	0.1
97.95853	0.2
98.02369	0.5
101.02361	0.3
107.01280	0.2
109.02886	0.2
110.37004	0.1
113.02369	0.2
121.02912	0.1
123.00833	0.2
123.04433	0.4
125.02367	2.0
133.04143	0.1
136.39481	0.1
137.02367	0.5
139.00313	0.1
145.02826	0.2
149.02266	0.2
151.00304	0.2
151.04019	0.3
157.08684	0.2
161.02435	0.2
164.01091	0.2
165.01874	0.3
168.00653	0.2
169.01387	2.3
170.01645	0.2
175.04021	0.1
179.94965	0.1
192.15514	0.1
203.07230	0.1
205.05099	0.2
209.11884	0.2
211.02525	0.3
269.04453	0.1
271.04559	0.2
289.07245	0.3
301.00073	0.2
313.05798	0.2
335.19000	0.2
344.03510	0.1
359.28217	0.2
418.35446	0.1
451.14172	0.2
541.13672	0.4
541.22534	0.2
543.28497	0.9
603.15887	0.2
603.24323	0.8
603.38037	0.1
604.15576	0.2
604.25128	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	9.4
57.80052	6.6
59.01266	81.1
60.73412	5.8
61.98712	40.5
62.34206	5.1
62.93659	5.3
70.01142	30.7
71.01277	19.8
71.84292	5.9
78.95790	13.3
89.02328	8.8
90.47411	5.0
96.95932	22.6
97.06474	8.5
98.19892	7.1
101.02338	12.7
109.06536	5.2
113.02408	5.2
119.03434	7.8
125.02402	12.8
137.05824	5.8
149.09657	6.2
151.11275	13.9
161.04536	9.0
165.12836	22.9
171.10320	31.3
172.10576	20.1
181.12337	12.6
191.10742	7.4
199.89383	5.5
209.11813	53.7
211.13365	29.3
212.13776	23.1
213.13762	7.2
213.27142	4.8
227.12881	20.4
245.19113	15.8
253.09386	39.2
263.20163	15.4
289.18115	29.4
307.19232	100.0
308.19443	12.5
311.61465	5.6
445.20920	19.8
455.31870	7.2
543.28394	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	2.7
59.01264	47.9
61.98719	6.2
65.64306	0.7
71.01271	11.0
71.60426	1.3
72.99181	1.7
73.02855	1.6
78.95792	1.5
80.02559	1.1
81.03339	1.5
83.01280	3.8
83.04932	2.9
85.02852	3.7
87.00784	2.1
89.02334	8.5
95.01277	1.1
95.04897	1.3
96.95914	2.3
97.02840	2.7
97.06507	4.2
99.00803	0.7
101.02345	9.8
106.04055	0.8
109.02837	0.8
109.06506	1.9
113.02351	5.8
119.03427	2.5
123.04431	2.9
123.08084	1.9
125.02371	2.1
125.09637	5.8
131.03459	0.8
135.08070	1.3
137.06070	1.0
137.09697	3.5
141.12750	1.2
143.03471	1.4
145.02950	0.6
149.06030	1.2
151.11203	1.1
161.04533	4.6
163.11241	9.1
163.77956	0.8
165.12773	1.7
167.10753	0.9
171.10223	5.2
177.12837	1.7
179.05566	1.2
179.10736	1.0
181.12320	1.6
185.11803	8.4
191.10706	1.8
191.14413	9.6
207.10257	3.6
209.11821	44.2
210.12209	2.2
211.13345	3.3
217.16144	1.0
225.11334	5.1
227.12939	1.9
235.08211	0.9
237.11356	4.2
243.17419	0.9
245.19109	18.6
246.19542	1.5
253.09323	42.5
254.09578	1.8
261.18750	0.9
263.20163	4.7
271.17078	1.5
289.18164	100.0
290.18491	8.5
307.19223	94.0
307.23141	1.1
308.19522	7.9
309.20740	0.8
405.29990	1.3
445.21027	1.7
543.28088	3.8
604.27960	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.4
60.99190	16.9
76.68909	0.6
76.83551	0.7
87.00774	6.8
88.00291	9.3
88.01147	1.1
88.98701	100.0
89.02338	86.4
89.99001	1.2
90.02667	1.1
144.14223	0.8
148.90935	0.8
163.84087	0.7
181.47078	0.7
200.86037	0.7
277.21722	1.1
278.21994	0.8
537.84137	0.8
555.11182	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84994	0.2
53.72128	0.2
57.03341	0.3
59.01267	2.6
65.00208	0.6
66.67036	0.2
68.99709	0.6
69.03342	1.3
69.39078	0.2
70.75480	0.8
71.01269	2.7
72.99199	0.9
78.44419	0.3
79.01782	1.1
81.03352	0.7
83.01266	1.2
85.02847	1.1
87.00758	0.6
88.82425	0.2
89.02347	1.0
93.03340	2.0
95.01286	2.8
96.95899	1.0
97.02865	1.7
98.95492	0.3
99.00797	0.4
101.02360	1.4
107.01294	7.9
107.04942	0.3
108.01586	0.3
109.02109	0.3
109.02865	0.8
109.99980	0.3
111.00797	2.9
113.02364	1.2
117.03353	0.3
119.03475	0.4
119.04959	1.3
121.02871	0.4
123.00803	14.2
123.04446	0.5
124.01620	2.9
125.02368	47.6
126.02671	1.8
127.00299	1.7
135.04443	0.6
136.98738	1.9
137.02386	3.3
137.06036	1.7
139.00308	5.8
140.01085	5.8
141.01840	2.0
143.03436	0.3
145.02875	0.5
149.02362	0.9
151.00316	8.2
151.03935	1.1
152.00612	0.3
153.01874	1.4
154.99840	0.5
161.02347	0.6
163.00415	0.3
163.03954	0.7
164.01070	0.3
165.01868	1.2
166.06262	0.3
166.99777	1.2
167.03452	0.7
168.00601	7.8
169.01382	51.2
170.01727	1.9
175.03998	0.6
177.01880	0.6
179.03427	0.7
181.01436	0.3
181.04988	0.5
191.03470	0.6
193.01419	0.7
193.05037	0.4
195.06653	0.4
201.01984	0.3
203.03513	0.4
207.02986	0.4
211.02499	3.3
218.02402	0.3
221.04587	0.4
225.07741	0.3
237.04086	0.7
241.03555	0.3
247.02487	0.3
253.03494	0.4
271.04642	1.4
289.07074	0.4
295.04636	0.9
297.05988	0.4
300.99988	1.6
302.00467	0.4
313.05725	4.1
396.11649	0.3
417.12265	0.9
433.11569	6.4
434.11563	0.7
451.13049	14.8
452.13528	1.5
465.06894	1.7
483.07465	0.3
555.22479	0.4
603.13727	100.0
604.14044	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	603.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.9
59.01266	3.8
61.98722	10.0
69.03325	1.0
71.01275	4.1
71.61536	1.0
71.61944	0.8
73.02824	1.3
78.95779	0.9
83.01273	1.3
85.02836	2.0
87.00751	1.3
88.98708	1.1
89.02353	1.2
93.03366	42.0
94.03689	1.5
95.01296	3.7
96.95921	4.8
96.96870	1.0
97.02839	2.6
101.02357	3.9
107.01305	6.0
109.02885	2.2
110.01228	0.7
111.00803	2.3
113.02338	3.0
119.04947	0.9
121.02876	1.0
123.00790	7.8
123.04427	3.1
124.01569	2.6
125.02374	73.9
126.02692	3.6
133.02927	1.0
135.04466	0.9
136.32394	0.8
137.02382	84.5
138.02718	3.4
139.00253	3.2
140.01060	2.8
141.01805	1.5
145.02861	1.9
149.02393	1.9
151.00311	6.2
151.03928	5.8
158.59695	0.9
161.02371	2.8
163.00331	0.9
163.04089	1.1
164.01077	1.3
165.01848	3.1
166.99783	1.0
167.03448	2.1
168.00630	6.2
169.01385	93.0
170.01695	4.4
175.03925	1.1
177.01865	2.1
179.03423	2.4
181.01346	0.9
185.05962	1.2
187.03979	1.4
189.00053	0.7
189.01860	1.8
193.01353	3.2
203.03366	0.8
205.04930	1.4
211.02470	7.9
223.02438	0.9
229.01505	1.1
271.04523	1.0
273.07907	1.0
281.06726	0.8
289.07230	2.5
300.99896	2.9
313.05765	15.3
325.03534	1.0
331.06699	2.9
375.27322	2.1
433.07800	7.1
441.18347	3.0
451.08844	7.0
451.14087	1.2
454.39273	0.8
465.06754	1.9
483.07889	12.8
494.92096	1.0
567.24719	5.9
603.10016	100.0
603.24438	3.0
603.32452	4.0
604.10468	15.6
604.25238	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.1
68.13759	0.4
69.03340	1.9
69.55405	1.8
69.55824	1.1
71.01262	2.5
72.99171	0.8
75.00034	0.4
75.00767	0.4
79.01793	1.1
81.03339	0.7
83.01283	1.5
85.02862	1.3
87.00780	0.6
93.03360	11.5
93.36004	0.4
95.01265	2.5
95.41839	0.4
97.02862	2.2
98.20535	0.8
99.00758	0.5
101.02354	1.4
107.01291	5.4
107.04907	0.5
109.02869	1.7
111.00813	2.4
113.02377	3.0
121.02912	0.9
123.00802	9.6
123.04446	0.8
124.01606	2.4
125.02369	67.5
126.02695	1.8
127.00306	0.8
135.04427	0.7
136.01587	1.8
136.98758	1.2
137.02377	23.7
138.02705	0.9
139.00298	3.3
139.03932	1.0
140.01135	2.7
141.01884	0.9
145.02971	0.7
147.04510	0.5
149.02400	1.5
150.03171	0.6
151.00317	5.6
151.03906	2.3
152.09689	0.4
153.01862	1.3
154.99881	0.4
155.03462	0.7
161.02382	1.0
163.00255	0.8
163.03929	0.5
165.01891	2.4
165.05525	0.4
166.02277	0.4
166.99812	1.7
167.03462	1.1
168.00562	6.2
169.01376	82.5
170.01726	4.0
175.03967	0.8
177.01866	0.8
179.03462	6.5
180.04172	0.6
181.01352	0.5
183.02879	0.9
185.02382	0.6
191.03574	0.6
193.01384	2.3
195.06584	1.6
201.01851	0.5
203.06879	0.5
205.05103	0.8
207.03075	0.5
209.04541	1.1
211.02461	7.2
212.02745	0.5
217.01430	0.5
223.02409	0.7
225.07706	1.1
227.03398	0.5
229.01282	0.5
239.05618	3.2
253.03572	0.6
275.02042	0.9
281.06769	1.1
289.07278	2.0
295.04733	1.0
300.99945	4.4
302.00345	1.3
313.05713	3.6
365.45129	0.4
391.06671	0.5
433.07813	5.5
434.08145	0.9
451.13342	4.9
452.12494	0.9
539.21411	1.4
540.21881	2.4
603.10040	100.0
603.26599	4.1
604.10449	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	603.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01273	1.1
61.98723	1.3
69.03345	0.6
70.77493	0.5
71.01276	0.8
78.95802	9.2
79.95635	3.2
81.03397	0.3
83.01318	0.3
85.02833	0.2
89.98491	0.2
90.29984	0.2
93.03364	1.0
95.01291	0.7
95.04901	0.5
96.95919	100.0
96.96832	13.7
97.02860	0.6
97.95840	0.3
98.02383	3.0
101.02359	0.3
105.03379	1.3
107.01302	0.8
109.02867	1.6
111.00796	0.4
111.04463	0.3
113.02335	0.3
116.92786	0.5
117.03421	0.2
119.04975	0.3
123.00823	1.8
123.04443	0.5
124.01622	0.3
125.02373	17.7
126.02707	0.8
132.13609	0.2
133.02893	1.0
135.04434	0.2
136.98766	0.2
137.02391	1.0
139.00287	0.5
139.03937	0.9
140.01030	0.3
143.04901	0.2
144.70726	0.2
145.02910	1.3
147.04524	0.3
149.02354	0.4
151.00290	1.2
151.03940	0.7
153.01952	0.3
154.60130	0.2
157.06506	0.3
159.04405	0.3
161.02396	13.6
161.06049	0.8
162.02756	0.6
163.00346	0.3
163.03996	0.4
164.01082	0.3
165.01872	0.9
166.99818	0.7
167.03447	0.6
168.00534	0.6
169.01387	34.1
170.01736	1.5
175.03969	0.6
177.01901	6.3
178.02190	0.3
179.03482	0.3
185.02408	0.3
186.23865	0.2
189.01892	3.5
190.02475	0.2
191.03496	0.6
193.01395	1.4
198.66687	0.2
199.07500	0.2
201.01836	0.4
201.05591	0.3
203.03505	0.6
203.07097	0.2
205.01389	0.3
208.05235	0.3
211.02339	0.3
216.00633	0.4
217.01428	4.3
218.01802	0.3
219.02960	0.5
227.07214	0.5
229.01530	0.4
229.05086	2.7
231.02942	0.7
241.05055	0.5
243.06619	0.7
245.00826	0.4
256.03699	0.3
257.01041	0.3
269.04620	0.9
271.06195	11.4
272.06540	0.7
275.02097	0.7
280.48135	0.2
283.06168	0.9
289.07275	0.5
291.05222	0.2
295.06372	0.2
300.99982	3.2
302.00406	1.1
302.03558	0.3
311.05679	2.6
312.05994	0.3
321.03928	1.1
339.05096	0.5
343.04855	0.2
350.37332	0.2
357.06369	1.9
392.01636	0.2
415.08395	0.6
433.09357	6.4
434.09558	0.8
441.19229	0.6
451.10431	6.9
452.10834	1.0
477.08508	1.5
483.19250	0.3
504.54572	0.3
526.04016	0.3
527.04462	0.2
567.23688	0.3
602.29639	1.0
602.56750	0.3
603.12140	1.6
603.30890	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	601.288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56062	0.6
55.01779	0.7
57.03331	0.9
59.01038	0.6
59.01273	7.8
61.98725	6.2
67.01779	1.3
68.99670	0.7
69.03344	1.2
71.01275	8.1
71.10138	1.6
72.99210	1.2
73.02827	1.3
79.01772	0.7
81.03300	0.6
83.01271	2.2
85.02853	3.4
87.00764	1.5
88.98695	0.7
89.02338	2.6
93.03352	1.3
95.01283	2.8
96.95910	3.8
96.96889	0.9
97.02855	2.0
99.00751	1.1
101.02354	4.5
103.13363	0.7
107.01289	5.1
109.02943	1.3
111.00780	2.6
113.02360	2.6
116.92815	0.6
119.03370	1.1
123.00797	15.9
123.04438	1.9
124.01535	1.9
125.02367	25.0
126.02701	1.4
127.00282	1.1
130.71928	0.6
135.04442	1.1
136.98759	1.3
137.02376	2.9
139.00343	3.2
140.01094	3.7
141.01834	2.1
145.02853	2.0
149.02328	0.7
151.00320	7.6
151.03923	2.7
161.02379	2.2
161.04515	0.6
163.03964	1.6
164.01060	1.0
165.01793	0.8
167.03473	0.9
168.00673	3.3
169.01379	25.7
170.01704	1.7
175.03946	1.3
177.05557	0.7
179.03366	1.0
189.01884	1.0
190.02687	0.7
203.03497	0.7
203.07158	1.0
205.05136	0.9
211.02351	3.5
212.02797	0.7
231.03075	1.2
260.91788	0.6
269.21286	1.8
271.04431	4.4
272.05051	2.2
287.22360	21.0
288.22644	2.1
289.07202	3.1
300.99893	2.4
313.05685	1.9
331.06659	1.0
332.07135	1.3
387.14462	0.9
431.26611	1.6
435.10831	1.1
439.17734	0.7
449.27667	40.8
450.28027	6.3
467.07547	1.6
538.20032	0.8
539.15424	2.0
583.27728	1.5
601.28845	100.0
602.29260	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.4
59.01261	3.6
61.98699	0.6
64.92189	0.3
67.01768	0.7
68.99712	0.5
69.03352	0.8
69.43532	1.1
69.43969	1.4
71.01275	4.3
72.99218	1.0
73.02844	1.2
75.00764	0.4
78.95811	0.3
79.01799	1.2
80.22629	0.3
80.91608	0.6
81.03369	0.4
83.01293	1.1
84.57289	0.3
85.02834	1.6
87.00783	0.8
89.02352	0.6
92.25086	0.3
93.03360	0.6
95.01291	2.7
96.95924	1.0
97.02882	1.0
99.00761	0.7
99.05553	0.3
101.02354	2.3
107.01298	3.2
108.02092	0.4
109.02865	0.6
109.99987	0.4
111.00778	2.0
113.02364	1.3
119.03490	0.6
119.04925	0.4
123.00803	14.2
123.04470	0.6
124.01582	1.3
125.02368	18.7
126.02749	0.4
127.00301	0.4
128.03532	0.3
135.04503	0.4
136.98752	1.0
137.02388	0.9
138.99384	0.4
139.00328	3.8
139.03964	0.3
140.01134	1.9
141.01866	2.0
141.12782	0.4
145.02924	0.8
149.02379	0.3
150.03171	0.3
150.44717	0.3
151.00320	8.1
151.03903	0.7
152.00630	0.3
153.01894	0.9
161.02431	0.4
163.03944	0.6
166.99850	0.4
167.03397	0.5
168.00650	2.2
169.01382	20.1
170.01735	1.0
177.01915	0.5
189.01918	1.9
190.02679	3.2
191.03441	1.1
201.01888	0.5
211.02512	1.0
217.01329	0.4
218.02278	0.9
219.02907	0.4
231.25613	0.3
269.21310	0.8
271.06091	1.0
287.22357	12.6
288.22635	1.0
289.07294	0.6
301.24088	0.7
307.06238	1.0
311.22372	0.3
313.05789	0.8
323.32266	0.3
325.07236	6.6
325.10837	0.5
326.07654	0.9
341.06412	0.4
397.13223	0.3
431.11469	0.4
431.26620	3.8
432.26697	0.5
439.17926	0.4
449.12573	7.8
449.27649	40.3
450.12747	1.5
450.27966	5.7
541.29352	0.4
583.27795	2.0
584.28180	0.4
601.28796	100.0
602.29156	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	601.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01275	0.4
70.58094	0.7
70.58452	1.0
71.01274	0.8
78.95798	51.3
83.55190	0.3
89.02345	0.5
90.53120	0.3
95.43783	0.3
96.95956	11.0
96.96866	100.0
113.02325	0.4
114.84464	0.3
241.01192	0.4
250.12207	0.4
259.02307	4.9
503.16440	2.1
601.14227	4.9
609.35461	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1211
Annotation	(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-galloylglucoside)
Peak:m/z	Relative Intensity
54.40545	0.3
57.03340	0.7
59.01263	0.9
63.02289	0.5
65.00210	6.2
68.99705	0.4
69.03347	0.4
70.25321	0.9
71.01276	2.3
72.50048	0.3
81.03357	1.4
83.01273	3.1
85.02872	0.8
87.00774	0.5
95.01258	0.4
96.24636	0.3
96.95898	0.5
97.02885	0.5
98.20493	0.3
99.00826	0.4
101.02389	0.7
107.01295	14.0
109.02859	1.4
111.00800	0.6
111.04391	0.3
113.02353	0.7
121.02866	0.4
123.00795	3.4
123.04432	0.3
124.01620	0.7
125.02370	31.4
126.02687	0.9
127.00234	0.5
130.04152	0.3
131.04962	0.5
133.02866	1.6
134.03645	0.7
135.04451	34.9
136.04784	1.4
136.98723	0.4
137.02373	0.8
139.00278	1.3
140.01057	1.3
141.01877	0.4
149.02342	0.4
150.03223	0.5
151.00310	58.6
152.00650	2.4
158.03630	0.6
159.04466	13.8
160.04848	0.9
161.02379	8.7
162.02766	0.4
164.01036	0.7
165.01900	6.2
165.04059	0.9
165.05537	1.0
166.02296	0.5
166.99831	0.6
167.03481	0.7
168.00604	2.3
169.01381	38.5
170.01668	1.5
172.05273	0.6
173.05954	0.7
174.03134	0.5
175.03975	0.6
177.01945	1.8
177.05537	2.0
181.05022	0.4
183.04472	0.5
194.99345	0.4
195.06522	0.3
196.00119	0.5
199.04007	0.8
199.07573	0.8
200.04762	1.1
201.01852	0.6
201.05557	6.4
202.05931	0.7
203.03503	4.1
211.02415	1.5
211.04163	0.3
215.07036	0.6
219.06624	3.2
223.02448	0.3
225.05603	2.7
241.03531	1.1
243.06647	27.8
244.06990	2.5
245.04591	0.6
255.03076	0.7
256.03525	0.3
269.04544	1.1
271.04694	0.7
273.07767	0.6
275.01712	0.3
285.03735	0.4
286.04675	0.5
287.05676	16.3
288.06067	1.0
297.06116	0.6
300.02905	0.4
300.99860	1.0
301.03308	0.9
302.03510	0.9
303.03979	0.6
313.05716	25.9
314.05933	1.7
355.49823	0.3
369.20752	0.4
431.09918	0.8
447.09567	0.5
448.09628	0.6
449.10666	4.8
475.08896	1.0
517.10059	0.7
533.13159	0.6
557.12585	2.1
583.11090	0.4
601.12115	100.0
602.12506	17.5
602.19684	0.2
602.22815	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	7.1
61.98700	1.2
65.00209	5.2
69.03342	1.4
71.01263	3.7
71.38284	1.5
71.38609	2.0
83.01279	3.4
95.01278	1.7
96.95879	1.5
97.02905	1.5
107.01300	87.1
108.01615	3.0
109.02888	6.7
113.02304	1.2
120.51975	1.1
121.02857	1.4
123.00821	7.9
125.02374	52.9
126.02728	2.0
133.02855	4.2
135.04454	64.4
136.04826	2.8
137.02333	1.8
139.00311	1.9
140.01004	1.4
151.00316	49.5
153.98320	1.1
159.04460	1.9
161.02394	8.2
165.01807	2.7
168.00633	2.9
168.99945	2.6
169.01381	42.7
170.01811	1.8
175.03969	1.9
177.01883	13.4
192.57367	1.2
194.99332	100.0
195.99710	3.9
201.02065	1.6
205.01212	1.7
209.00912	1.2
211.02419	1.8
218.99356	2.6
229.01454	1.8
237.00313	1.7
243.06699	4.9
271.73474	1.2
287.05707	10.8
299.99457	1.8
300.99939	8.5
313.05743	29.6
314.05948	2.0
339.03613	30.7
340.03891	1.8
345.13599	1.5
414.53946	3.6
415.04086	2.6
423.09286	4.2
449.11023	19.9
450.11328	2.0
475.08948	88.5
476.09253	12.6
538.20056	3.6
539.21381	4.6
601.12128	88.3
601.25250	6.5
602.12616	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1212
Annotation	(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-galloylglucoside)
Peak:m/z	Relative Intensity
54.03333	0.9
57.03334	4.8
59.01253	1.5
60.20166	1.1
64.99907	1.1
65.00195	6.8
66.36679	0.8
67.64284	1.0
69.48793	7.6
71.01259	3.5
81.03343	1.3
83.01270	3.7
85.02827	1.2
95.01288	1.1
96.95899	1.2
97.02838	1.8
98.19804	2.0
101.02369	1.5
107.01300	13.8
109.02850	3.1
111.00796	1.3
123.00799	7.2
124.01617	1.6
125.02369	85.7
126.02701	3.0
128.08365	1.0
133.02852	3.9
135.03413	1.4
135.04449	24.4
137.02444	1.1
139.00299	1.7
140.01103	1.3
141.01872	1.0
143.80370	1.0
149.02383	3.1
151.00313	46.7
152.00623	1.6
153.01784	0.9
161.02411	6.6
165.01868	3.2
167.03465	1.7
168.00597	3.4
169.01387	65.4
170.01688	3.0
175.00316	2.8
175.71892	0.9
177.01891	2.7
181.04984	0.9
193.01385	1.9
211.02469	9.6
211.53331	0.9
241.03671	3.4
271.04572	3.2
287.05618	7.4
301.00024	2.5
313.05719	58.2
314.06119	3.5
439.08914	51.8
440.09235	5.4
465.06772	3.4
491.08386	4.1
601.12115	100.0
602.12463	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	599.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13046	1.9
51.74081	1.7
55.69358	1.7
58.00479	3.6
59.01265	100.0
65.43479	1.9
69.32616	2.3
69.33015	17.6
71.01269	74.2
72.99195	6.8
83.01273	2.6
85.02828	12.2
87.00767	7.2
89.02337	93.4
95.01276	9.7
96.95915	4.8
99.00757	2.3
101.02341	33.6
108.42333	1.9
109.02875	3.6
113.02361	27.3
119.03419	37.7
123.00805	4.5
125.02361	11.2
131.03427	3.1
137.02357	2.5
139.00275	2.7
143.03458	11.4
149.02406	7.2
149.04420	3.6
151.00311	3.0
156.34932	2.1
161.02422	2.5
161.04478	12.2
162.03169	2.5
163.00330	3.8
163.03856	2.0
164.35478	2.2
168.00571	2.0
169.01389	12.9
177.01865	2.5
179.05582	52.4
179.45287	2.3
189.50322	1.9
258.15012	2.0
287.32669	1.9
300.99976	5.5
302.00217	2.4
329.13965	2.4
477.57675	2.1
496.79984	2.6
511.55338	3.2
625.63367	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	600.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	3.4
59.86060	0.5
61.98723	5.0
65.81248	0.5
67.01762	1.2
69.03349	0.9
69.33546	6.0
71.01266	3.4
75.15148	0.5
75.68450	0.6
79.86081	0.5
83.01266	1.0
85.02302	0.6
85.02845	1.4
87.00807	0.6
89.02313	1.4
95.01288	2.0
96.95940	0.9
97.02843	0.7
101.02341	1.8
102.79424	0.6
107.01272	2.6
111.00790	2.5
113.02364	0.9
123.00806	12.4
123.04383	0.8
124.01563	0.7
125.02370	16.8
127.00301	0.9
136.98735	1.5
137.02296	0.6
139.00316	3.0
140.01080	2.6
141.01842	1.7
145.61816	0.6
151.00316	9.8
153.01874	0.8
153.09155	0.8
161.02388	0.7
163.11174	0.5
166.99785	0.7
168.00591	4.0
169.01392	25.6
195.06535	0.6
205.12347	2.0
209.04489	0.8
211.02533	5.7
256.89474	0.7
271.04636	6.9
313.05685	3.1
330.88968	0.6
396.94708	0.5
537.19928	100.0
538.20215	13.5
583.10388	0.7
601.12036	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.106
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98716	2.8
62.11310	0.6
63.02287	3.8
65.00211	5.8
69.03344	1.3
71.01255	1.2
71.06007	1.4
73.02834	0.6
73.46350	0.5
81.03345	1.0
83.01273	3.9
85.02841	2.3
89.65397	0.5
90.07179	0.5
90.64433	0.5
93.03351	1.1
95.01298	1.1
97.02886	1.0
101.02371	0.9
103.08887	0.7
107.01299	14.3
109.02863	5.4
111.00768	1.8
119.01342	1.0
121.02872	8.2
123.00787	3.9
124.01574	2.0
125.02370	44.9
126.02711	0.8
127.03952	1.7
135.00824	0.9
136.98680	0.9
137.02348	0.8
139.00305	1.9
139.03934	1.1
140.01080	1.7
145.02902	0.9
147.04379	0.6
148.01671	0.9
149.02385	1.4
151.00314	49.6
152.00641	1.7
159.04430	1.1
163.00314	5.3
163.03932	0.7
164.01057	1.4
165.01779	0.8
168.00595	2.5
169.01384	51.0
170.01715	1.9
175.04045	0.9
177.01888	0.9
178.99832	24.6
180.00217	1.1
183.04485	0.9
187.04111	1.3
192.00584	1.1
193.01302	0.9
201.05540	1.6
203.03510	1.4
209.04546	1.8
211.03993	2.2
226.02646	1.0
227.03522	2.6
228.04068	0.7
229.05000	2.2
237.04065	0.7
243.02998	4.5
244.03395	0.7
245.04530	4.2
254.02255	0.9
255.03030	15.8
256.03525	1.7
266.01962	0.7
271.02533	25.6
272.03018	2.9
273.04065	2.5
283.02536	2.0
297.06250	8.0
300.02817	49.0
301.03586	94.3
302.03922	8.6
354.16177	0.6
447.09430	7.9
448.09628	1.3
599.10559	100.0
600.10968	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	599.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22346	0.2
52.82721	0.3
54.41616	0.3
59.01267	0.6
61.98713	0.4
63.02273	0.5
65.00201	1.0
69.58553	1.0
69.58984	1.0
71.01249	0.6
82.45264	0.2
83.01279	1.0
89.02298	0.3
93.03355	0.5
95.01283	0.3
96.95921	0.6
107.01276	2.1
108.02097	0.8
109.02866	2.2
114.03553	0.3
119.04927	0.5
121.02859	2.0
123.00791	0.9
123.04468	0.5
124.01544	0.3
125.02357	2.3
133.02797	0.4
135.00792	0.3
139.00365	0.5
148.01628	0.5
149.02386	0.5
151.00307	11.0
151.03922	0.3
152.00626	0.5
159.04474	0.5
161.02446	0.4
161.05930	0.3
163.00323	2.6
163.03920	0.4
164.01022	0.5
165.01874	0.4
166.99875	0.3
168.00604	0.9
169.01392	3.3
171.04378	0.3
174.01546	0.3
174.03181	0.3
175.03923	0.4
177.01996	0.4
178.99828	6.2
183.04509	0.4
187.03864	0.4
189.01900	0.7
190.99716	0.4
191.03351	0.3
192.00574	0.6
199.03987	0.4
201.05592	0.3
203.03520	0.5
211.02356	0.3
211.04024	1.0
215.03391	0.4
216.04248	0.4
217.01486	0.7
226.02695	0.6
227.03526	1.8
229.05107	0.8
239.03598	0.3
243.03046	4.1
244.03510	0.5
245.04550	1.4
254.02208	1.2
255.03043	15.0
256.03448	1.8
257.04590	0.4
266.02243	0.5
271.02536	26.6
272.02911	2.7
273.04153	0.9
283.02661	1.4
285.04068	0.4
289.07220	0.3
296.05411	0.4
297.06274	0.3
299.02127	0.9
300.02826	64.1
301.03561	50.5
302.03983	4.1
341.06793	1.0
342.07016	0.4
374.13077	0.3
435.10913	0.5
437.11511	0.3
447.09430	100.0
448.09772	13.2
487.10791	0.6
581.15149	0.4
599.09625	0.5
599.26758	1.1
607.87549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.0
61.98711	0.5
69.38999	3.3
72.49714	0.4
81.03351	0.5
86.73959	0.3
93.03355	3.5
95.04896	0.7
106.84460	0.3
109.02859	8.0
111.17129	0.3
114.88449	0.3
117.03384	0.9
119.04919	1.1
121.02850	0.9
122.03618	0.7
123.00754	0.6
123.04444	9.1
124.01534	0.4
124.04778	0.7
125.02374	2.3
133.02893	1.1
137.02376	0.8
145.02899	5.3
147.04459	1.7
149.02377	0.9
150.03149	1.0
151.03952	7.9
156.36488	0.4
159.04456	1.2
161.02399	1.2
161.06052	0.6
162.03114	0.5
163.00284	0.5
163.03897	0.9
165.01915	0.5
169.01373	1.9
177.01895	15.1
178.02254	0.8
179.03444	0.4
187.03979	1.4
188.04657	0.5
189.01907	29.6
190.02676	7.0
191.03479	6.7
202.51451	0.4
203.03506	3.8
203.07101	0.8
216.00652	4.8
217.01414	26.3
218.02042	2.2
219.02979	10.1
220.03250	0.4
227.07233	0.5
229.05034	0.7
229.08717	0.4
231.00723	0.5
231.03020	8.3
232.03529	1.3
233.04497	0.5
241.05162	2.0
245.08278	0.8
262.35941	0.4
269.04636	0.9
271.06137	1.7
281.04575	1.6
283.06177	2.4
284.06732	0.4
289.07187	3.3
297.07724	1.4
311.05701	4.2
312.05957	0.5
323.05588	1.3
325.07294	0.6
331.32242	0.4
341.06735	57.0
342.07010	4.6
344.06308	0.4
344.10217	5.5
344.60449	1.3
378.72537	0.4
426.37885	0.5
435.10941	100.0
436.11246	11.8
497.15744	0.4
597.16119	5.9
597.25385	0.5
598.16656	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1058
Annotation	Kaempferol 7-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
51.51913	0.3
57.03352	0.4
59.01270	2.4
61.98714	0.6
63.02299	0.7
65.00214	0.9
67.01768	0.6
68.99725	0.6
69.03344	0.6
71.01271	3.5
71.31184	0.7
75.00795	0.4
76.65639	0.4
81.03368	0.7
83.01291	1.1
85.02813	0.6
87.00780	0.4
89.02374	0.5
95.01289	0.6
96.95918	0.8
97.02873	0.9
101.02353	1.0
107.01300	7.1
109.02863	1.6
111.00799	1.3
113.02357	1.0
116.92828	0.4
119.25235	0.3
121.02876	0.9
123.00810	6.4
123.04464	0.7
124.01585	0.6
125.02370	36.5
126.02695	1.0
126.16225	0.4
133.02884	6.0
135.04518	0.6
136.98798	0.8
137.02394	0.9
139.00276	2.1
140.01112	1.8
141.01868	1.3
149.02397	1.8
151.00327	9.2
153.01787	0.7
163.00272	0.5
163.03996	0.5
165.01924	0.6
165.05527	0.5
166.99825	0.8
168.00584	2.4
169.01389	48.8
170.01682	1.8
171.04477	0.4
175.03941	3.4
177.01912	1.1
179.03363	0.4
185.05913	0.6
189.01862	0.5
189.05540	0.5
193.01398	0.8
195.06613	1.1
197.06131	0.6
199.04044	2.3
201.01907	0.6
203.03430	0.5
211.02467	2.4
213.05498	0.7
217.01257	0.4
217.05090	1.6
227.03534	2.4
228.03978	0.5
229.05125	1.0
241.03329	0.8
241.05370	0.5
243.03040	1.0
247.02505	1.3
255.03009	4.5
256.03711	0.8
257.04538	1.1
271.04684	1.3
280.59494	0.4
284.03329	9.6
285.04111	82.1
286.04495	6.7
289.07349	0.5
297.04013	0.7
300.99860	0.7
313.05722	11.4
314.06189	0.6
327.05124	0.8
407.17270	0.7
436.11243	0.6
437.11499	1.1
447.09329	1.1
498.53076	0.4
537.19952	3.2
542.25543	0.4
555.11273	0.6
599.10577	100.0
600.10907	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	597.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	1.4
59.01253	2.2
71.01276	1.4
73.02838	0.6
81.03335	0.6
83.01289	1.4
93.03355	5.8
95.04910	1.5
96.95979	0.5
97.02827	1.0
98.20615	0.8
101.02362	0.7
107.01292	1.5
108.02097	1.0
109.02858	14.1
111.00793	1.3
113.02335	0.7
117.03349	2.6
119.04925	3.7
121.02880	1.9
122.03653	0.7
123.00792	2.8
123.04451	11.8
125.02364	17.3
131.07042	1.1
133.02869	1.4
137.02390	7.5
139.00311	0.9
139.03926	1.4
140.01100	0.8
145.02896	8.9
146.03575	0.5
147.04436	2.4
149.02357	2.8
150.03149	0.8
151.00284	1.6
151.03957	6.9
159.04453	2.2
161.01212	0.5
161.02333	2.7
161.06030	1.6
162.03181	0.8
163.00269	1.1
163.03987	3.5
164.01131	2.3
165.01845	3.5
166.02586	0.6
168.00574	1.4
169.01378	8.5
175.03958	1.6
175.07658	0.7
177.01892	18.7
179.03456	2.1
185.06023	0.9
185.32782	0.6
187.04025	2.9
188.04715	1.3
189.01897	34.1
190.02644	8.6
190.19089	0.7
191.03447	6.7
201.05510	0.7
202.06458	0.7
203.03444	4.2
203.07129	4.1
204.07312	0.7
205.05063	2.1
211.02354	0.9
216.00577	5.9
217.01422	30.1
218.01981	3.6
219.02997	11.3
221.08315	0.9
225.05539	0.7
227.07158	1.0
229.01366	0.6
229.05060	0.9
229.08607	0.7
231.02988	10.2
232.03583	1.3
241.05083	2.2
245.08220	5.1
253.05138	0.6
269.04645	1.4
269.08154	0.9
271.06235	10.2
272.06415	0.7
281.04614	2.1
283.06207	2.7
289.07257	32.3
290.07578	2.2
292.96951	0.5
293.12555	1.4
297.07785	1.7
301.00021	1.7
311.05704	4.9
312.06070	1.0
323.00708	0.5
323.05719	2.1
341.06720	65.6
342.07004	6.8
407.07639	1.4
417.09985	0.6
435.10925	100.0
436.11295	13.5
445.13577	2.0
451.12418	0.8
535.17834	1.3
537.29272	0.9
561.13739	2.7
588.59485	0.6
597.17340	8.3
598.18286	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	1.8
59.01265	1.4
60.60172	0.4
71.01286	1.4
71.61495	0.6
72.99217	0.6
75.00768	0.6
81.03352	0.7
83.01292	1.4
85.02856	0.7
87.00797	0.7
93.03365	6.2
95.01285	0.9
95.04955	1.1
96.95926	1.2
97.02864	1.4
101.02348	1.2
107.01295	1.0
108.02110	0.5
109.02869	12.2
111.00786	1.2
113.02334	0.8
117.03387	2.0
119.04938	4.0
121.02901	1.6
122.03589	0.6
123.00797	1.8
123.04439	12.7
124.27271	0.5
125.02377	16.3
126.02757	0.7
131.07030	0.9
133.02892	2.0
135.04446	0.6
137.02373	6.1
139.00284	1.0
139.03987	1.0
145.02895	10.0
146.03410	0.9
147.04427	3.1
149.02301	2.5
150.03195	1.0
151.00351	0.9
151.03954	6.9
157.17828	0.5
159.04399	2.5
161.02408	2.4
161.06027	2.1
162.03178	0.6
163.00333	0.8
163.03979	4.7
164.01146	1.5
164.10617	0.5
165.01901	3.3
167.03487	0.6
168.00609	1.2
169.01363	7.7
169.77075	0.5
170.01662	0.8
173.02397	0.6
175.03943	1.6
176.01080	0.9
177.01900	18.9
178.02245	0.8
178.54570	0.5
179.03488	1.5
185.06143	0.5
187.04022	2.5
188.04816	0.7
189.01906	32.1
190.02675	8.6
191.03488	6.6
201.01956	0.6
201.05536	0.7
202.06432	0.6
203.03525	4.2
203.07182	3.3
205.05042	2.1
211.02457	0.9
216.00644	5.9
217.01419	29.9
218.01944	2.5
219.02994	11.8
221.08163	0.6
227.07101	0.9
229.04970	1.0
231.03009	9.7
232.03511	1.3
233.04662	0.5
241.05052	1.5
245.08266	4.3
247.02597	0.6
256.03876	0.6
269.04733	1.7
269.08133	1.2
271.06357	7.0
272.06616	0.6
273.07819	0.6
279.06589	0.5
281.04761	1.8
283.06207	2.8
289.07251	23.7
290.07556	1.9
293.12698	0.7
297.07846	1.0
300.99997	1.9
311.05637	5.1
312.05923	1.0
313.05798	0.6
323.05692	1.6
325.07358	0.8
341.06729	70.6
342.07111	6.4
354.62958	0.5
407.08206	0.7
429.78339	0.6
435.10944	100.0
436.11301	13.4
448.52161	0.6
451.12555	0.7
517.17151	0.9
535.18347	2.3
537.29132	1.2
553.17419	0.9
561.14246	1.7
576.85272	0.6
597.17200	5.6
598.17059	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84864	0.5
59.01262	1.5
59.94360	0.5
64.34581	0.5
66.05653	0.5
71.01276	0.9
79.48177	0.5
79.86896	0.5
83.01291	1.2
89.02341	0.6
92.65102	0.6
93.03359	4.9
95.04900	0.6
96.95927	0.7
97.02885	0.7
101.02361	0.5
109.02863	12.0
117.03365	1.7
119.04947	3.3
121.02899	1.2
122.03690	0.9
123.04441	11.1
125.02395	5.8
131.07066	1.2
133.01323	1.0
133.02937	1.7
135.04480	1.2
137.02390	1.6
139.04015	0.8
145.02884	6.0
147.04469	2.5
149.02367	2.1
149.28323	0.5
150.03139	1.3
151.00327	1.0
151.03943	7.3
159.04420	1.4
161.02399	1.5
161.06032	1.2
162.03093	0.9
163.03989	1.7
165.01903	1.5
165.05550	0.9
167.03510	2.8
169.01349	3.9
176.01100	1.1
177.01888	23.1
178.02216	1.0
179.03490	1.4
187.03975	3.9
188.04767	2.1
189.01901	22.4
189.05559	2.3
190.02687	8.2
191.03470	4.6
203.03514	2.9
203.07120	1.5
205.05077	1.2
209.04533	2.6
211.02454	0.8
211.07582	0.6
216.00645	6.9
217.01407	20.4
218.02081	2.7
219.02983	10.5
222.01791	0.9
227.07126	2.2
229.04990	1.8
229.08730	2.0
231.03023	7.8
232.03506	0.7
233.04575	1.1
239.05525	0.7
241.05132	1.2
245.08081	1.3
255.06731	1.3
269.08292	0.7
271.06235	7.0
272.06680	0.9
273.07709	0.9
281.04584	9.3
282.05139	1.4
283.06174	6.8
284.06662	0.7
289.07263	5.4
290.07629	0.7
293.12427	1.2
295.05850	0.6
297.07758	7.5
301.00128	0.6
311.05670	4.0
315.08810	1.6
321.23212	0.7
323.05804	1.5
341.06735	100.0
342.07056	9.5
345.09937	0.7
357.09851	9.0
358.10263	0.8
387.10907	6.5
391.42447	0.7
405.14310	0.7
417.11911	1.7
427.12469	0.7
435.10938	91.2
436.11267	12.4
445.13412	2.9
477.14264	2.1
503.12134	1.2
597.15393	5.6
598.16162	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93071	0.2
59.01268	6.6
60.99194	14.2
61.98417	0.4
61.98719	5.0
71.01265	1.0
71.61683	0.3
72.99194	0.7
73.02816	0.4
75.00758	0.3
78.95792	0.3
81.30411	0.2
83.68366	0.3
85.02834	0.5
87.00779	1.0
88.00288	1.2
88.98701	100.0
89.02341	9.2
89.99053	0.9
93.89178	0.2
95.01229	0.2
96.95911	1.0
101.02336	0.6
113.02331	0.5
123.00776	0.5
123.04422	0.4
125.02386	2.3
128.40086	0.2
137.02321	0.2
139.00238	0.3
149.02367	0.3
151.03906	0.3
160.81693	0.2
161.02429	0.4
163.03908	0.7
169.01373	1.8
178.06320	0.7
193.08699	1.4
289.07379	0.3
505.33948	0.3
535.31281	0.8
595.28607	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3138
Annotation	Baiyunoside
Peak:m/z	Relative Intensity
55.01770	1.9
57.03342	2.0
58.00477	0.9
59.01268	14.7
60.99195	1.8
61.98422	0.5
61.98721	7.8
63.59425	0.3
67.01774	0.4
67.70960	0.3
69.03340	0.8
71.01273	35.8
71.53378	0.4
71.53721	0.3
72.01601	0.5
72.99193	1.8
73.02839	15.1
75.00764	0.9
78.95788	0.8
81.03347	0.3
83.01276	5.8
85.02847	17.6
85.99990	0.8
86.03178	0.4
87.00760	1.7
88.98703	11.5
89.02338	6.5
95.01283	3.2
95.04865	0.3
96.95933	1.2
97.02859	1.6
99.00786	8.5
101.02346	22.7
109.02861	0.3
111.00790	0.6
112.01618	0.6
113.02362	16.5
119.03473	0.4
123.00783	0.3
123.04456	0.4
125.02362	3.0
129.01868	0.6
131.03423	0.8
137.02364	0.5
141.01907	0.3
143.03421	0.9
145.02924	0.4
159.02942	3.3
161.04507	10.6
169.01401	1.3
205.03491	0.5
249.25041	0.3
281.62979	0.3
299.20145	0.4
301.21762	0.8
463.27136	10.2
464.27600	1.2
482.67844	0.3
535.31769	0.3
595.31384	100.0
596.31708	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40511	0.1
51.06497	0.2
57.03330	0.2
59.01266	1.2
60.99192	15.0
61.48242	0.2
61.98722	3.0
69.30093	1.8
71.01279	0.8
71.63266	0.2
72.98815	0.2
72.99201	0.5
73.02831	0.3
74.44488	0.2
74.53011	0.2
75.00761	1.1
80.61554	0.2
85.02832	0.2
87.00785	1.2
88.00299	1.2
88.98701	100.0
89.02337	7.1
89.99042	0.9
96.95918	0.5
101.02328	0.3
109.02859	0.2
113.02354	0.3
121.02890	0.2
123.00818	0.4
123.04433	0.3
125.02367	2.1
135.04414	0.2
135.57738	0.2
135.71381	0.2
137.02361	0.5
144.72887	0.2
145.02882	0.2
149.02414	0.2
151.00307	0.5
151.03923	0.5
161.02435	0.2
169.01360	1.0
175.03935	0.2
175.97502	0.2
177.01947	0.3
181.05009	0.2
187.27272	0.2
203.03416	0.2
204.04279	0.2
257.91364	0.2
273.93863	0.2
285.04019	0.2
289.07278	0.2
301.00012	0.3
303.05090	0.2
461.18729	0.2
505.34125	0.4
570.52094	0.2
595.14923	0.3
595.27753	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2903
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
59.01279	0.9
61.59382	0.4
61.98702	0.7
62.96284	0.5
67.37225	0.4
68.70597	0.3
68.97002	0.3
69.32614	3.3
71.07873	0.3
78.95795	64.2
80.91590	0.4
82.99260	0.4
95.32918	0.3
96.95926	4.0
96.96857	10.9
98.19852	0.9
99.78967	0.3
109.31081	0.4
150.98016	1.0
152.99530	93.2
153.99892	1.4
171.00592	3.0
195.17409	0.3
209.11826	0.5
221.97617	0.4
223.00139	8.9
241.01208	23.3
242.01643	0.7
259.02295	1.8
279.23352	64.4
280.23679	5.5
299.99054	0.4
301.00031	0.6
315.01227	0.8
315.04929	15.3
316.05106	0.7
333.06003	1.3
476.27774	0.5
595.29028	100.0
596.29449	16.2
608.17902	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07982	0.2
52.74049	0.2
54.61370	0.2
56.20576	0.2
56.34155	0.2
59.01268	1.9
60.99193	17.6
61.98710	1.0
69.47309	1.9
71.01260	0.7
72.99189	1.0
85.02861	0.3
87.00773	1.4
87.99834	0.3
88.00283	1.6
88.98701	100.0
89.02335	14.5
89.99034	0.9
90.01855	0.6
90.02707	0.3
96.95891	0.4
101.02325	0.5
107.01302	0.4
109.02859	0.4
123.00794	0.3
123.04399	0.3
125.02374	1.7
131.71016	0.2
137.02400	0.5
145.02937	0.4
149.02457	0.3
151.00363	0.3
169.01395	0.9
179.05612	0.2
190.36212	0.2
243.13068	0.3
252.01497	0.2
269.04599	0.3
289.07373	0.3
301.00247	0.3
309.70239	0.2
312.02615	0.2
313.00095	0.4
328.02237	0.4
343.04712	0.9
352.49261	0.3
373.26068	0.6
595.14404	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.251
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02864	4.5
59.01251	1.0
61.42423	0.3
61.98719	1.0
66.03371	0.5
69.30356	0.5
69.30765	3.2
70.02867	0.6
71.01285	0.6
72.00802	0.6
74.02367	10.1
75.31792	0.3
76.70287	0.3
78.88102	0.3
82.02860	1.3
85.02845	0.5
86.02363	4.2
86.06001	0.6
86.98989	0.8
87.05544	2.2
88.03938	0.4
90.00097	0.8
95.01307	0.3
95.02215	0.3
96.95923	1.1
97.03984	1.2
98.20515	0.6
99.05544	8.6
100.59827	0.3
101.07108	1.4
102.05521	1.0
107.06035	0.7
109.02882	0.5
109.03984	1.1
111.00785	0.5
111.05579	0.6
111.95972	0.3
112.03948	1.2
113.03495	0.5
116.01693	0.8
123.00826	0.4
123.05564	0.8
124.03976	0.6
125.02366	3.2
125.03407	0.7
127.05064	1.8
128.03464	24.8
129.03828	0.5
129.99548	0.5
131.04536	0.6
135.05571	2.1
137.02359	0.6
137.07146	0.6
141.06647	1.8
143.04562	37.3
144.04884	0.7
145.06166	1.7
146.04532	2.9
151.03900	0.4
153.06653	2.8
155.08215	0.5
160.00687	10.1
161.02412	0.4
163.03917	0.4
166.09807	1.8
167.03307	0.4
167.04567	3.1
167.08199	1.0
169.01410	4.2
170.03229	0.5
171.04051	0.4
171.07722	0.7
177.03371	3.0
179.04594	7.6
179.35962	0.4
181.06143	1.4
185.05652	1.4
192.07741	0.8
197.05629	0.9
198.08867	0.4
210.08841	7.8
211.09027	0.6
213.03282	0.3
228.10037	0.5
230.51196	0.4
231.04590	0.4
242.07872	1.3
251.13104	0.3
254.05562	0.3
254.07874	7.0
272.08960	11.9
273.09369	0.4
275.01804	0.6
288.06662	4.9
289.07208	1.4
290.07590	0.6
301.00085	1.6
306.07730	100.0
307.08035	5.4
404.13248	0.4
441.08041	0.5
442.08554	0.9
595.15961	0.9
611.91016	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97141	0.5
55.01760	2.0
55.16164	0.5
57.03317	2.1
57.70462	0.5
58.00457	1.2
59.01265	27.1
61.98717	13.4
66.25156	0.5
69.03339	1.4
71.01272	40.7
71.56680	0.7
72.99192	2.1
73.02833	11.6
75.00747	1.1
78.95805	0.7
80.51917	0.5
81.03327	0.8
83.01278	5.3
85.02340	1.1
85.02845	16.9
86.03151	0.7
87.00792	2.8
88.98683	1.0
89.02340	14.9
93.03336	0.8
95.01275	3.0
96.95920	3.3
97.02838	1.5
99.00783	5.5
101.02351	30.6
104.69867	0.5
107.01350	0.7
109.02850	1.5
111.00767	1.5
113.02356	16.2
119.03430	5.3
123.00800	2.0
123.04420	1.2
124.01544	0.6
125.02368	9.8
131.03433	1.0
135.04459	0.7
137.02359	1.3
139.00320	0.5
143.03406	1.9
145.02896	1.2
149.02376	0.9
149.04498	0.7
151.00320	1.3
151.03900	1.6
153.01877	1.2
159.02946	2.3
161.02377	1.7
161.04517	13.2
162.04752	0.5
165.01880	1.0
167.03505	0.6
168.00587	0.9
169.01396	6.3
175.03929	1.1
177.01938	0.8
179.05527	1.9
185.02417	0.7
203.03387	0.9
205.03459	0.7
211.02499	0.8
221.06706	1.2
225.07500	0.7
278.63879	0.6
285.04160	0.8
289.07181	1.2
300.99936	4.2
302.00168	0.7
371.20776	7.7
372.21329	0.8
424.29254	0.6
449.07086	0.6
482.54999	1.1
533.26147	100.0
534.26471	15.6
557.13019	0.9
592.66644	0.6
593.15833	0.8
593.26154	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	1.4
62.96282	0.3
69.25011	0.3
71.01252	0.5
72.15648	0.3
78.95796	62.3
89.85363	0.3
96.96868	12.0
127.07523	0.3
150.97984	0.9
152.99532	93.0
153.99887	1.1
171.00580	3.2
223.00125	9.7
223.02356	0.5
224.00519	0.4
233.22868	0.6
241.01225	23.1
242.01575	0.4
254.23865	0.3
259.02335	1.5
259.20801	0.4
277.21790	46.9
278.22150	3.6
315.04953	14.9
316.05179	0.6
316.20917	0.3
333.06015	1.2
497.13086	0.3
593.27466	100.0
594.27832	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	593.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23931	0.4
59.01259	2.0
61.98709	0.6
62.96304	0.5
63.26717	0.4
64.24503	0.4
70.94493	0.6
70.94856	1.2
75.00766	7.2
76.01086	0.6
78.95796	71.6
91.14796	0.3
96.95929	0.7
96.96867	13.3
121.02879	0.9
129.51036	0.4
150.97978	1.1
152.99530	100.0
153.99860	1.1
171.00642	3.3
223.00131	10.6
223.02359	0.6
241.01218	26.7
242.01382	0.6
243.20923	0.4
259.02313	1.7
275.20300	0.5
277.21799	48.5
278.22165	4.9
315.04947	15.4
316.05234	0.7
333.05960	1.0
353.49643	0.4
503.29919	0.5
593.27466	92.6
594.27820	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	593.2652
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
51.80973	1.2
59.01272	8.6
61.98719	11.8
62.69986	1.2
63.96098	1.5
67.55038	1.4
71.01282	8.6
71.60218	1.6
71.60614	1.4
72.99205	1.5
73.02830	1.9
77.69366	1.2
78.95797	10.0
78.98476	4.2
79.95625	27.9
80.96412	52.6
81.26806	1.3
85.02830	3.6
87.00762	1.8
91.72319	1.4
94.97993	12.5
96.95911	3.1
97.02852	2.3
101.02338	4.1
113.02409	1.8
122.97488	3.9
125.02363	5.7
134.97495	3.5
136.99046	1.4
145.84093	1.3
148.99077	4.0
152.98544	5.1
152.99557	3.5
164.98578	8.2
182.99632	2.0
206.99680	3.6
211.13382	2.2
212.13579	1.6
225.00731	18.9
243.01852	2.2
251.35677	1.3
259.23218	1.3
299.04517	3.5
371.06976	1.6
371.31918	1.5
385.08234	1.7
455.16110	2.7
593.26508	100.0
594.26855	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.3
59.01263	3.0
67.01775	0.8
68.99737	0.4
71.01276	2.5
71.58039	0.5
71.58441	0.4
72.99196	0.7
79.01757	0.6
81.11439	0.4
83.01270	1.2
85.02837	0.9
87.00758	0.5
89.02327	0.9
95.01279	1.3
96.95913	1.6
97.02870	0.8
99.00793	1.0
101.02328	1.4
107.01316	2.4
109.02868	1.7
111.00802	2.2
113.02364	0.9
113.48817	0.4
115.00513	0.4
121.02870	0.5
123.00813	8.5
123.04398	0.5
124.01559	0.7
125.02374	17.4
126.02702	1.0
127.00269	0.9
135.04478	0.6
136.56448	0.4
136.98740	0.9
137.02390	3.1
139.00276	3.3
139.03984	0.9
140.01064	2.0
141.01833	1.8
141.65306	0.5
149.02417	0.7
151.00314	5.3
151.03911	1.0
152.04170	0.4
153.01888	0.9
161.02354	1.7
163.00319	0.7
163.03899	0.6
164.01059	0.6
165.01808	1.2
167.03470	1.1
168.00606	2.9
169.01392	18.0
170.01706	0.8
175.04059	0.7
177.01901	1.6
178.02335	0.5
179.03450	0.8
191.05621	0.9
193.01440	0.5
211.02483	11.0
243.02986	0.9
245.04549	0.6
271.01889	0.7
271.04660	10.6
272.05035	1.1
285.04214	0.7
287.05496	1.0
289.07263	1.5
301.00055	0.7
303.04999	1.0
305.06754	1.1
313.05704	1.1
407.07904	0.6
423.07391	1.7
437.08975	0.7
441.08240	0.7
539.21222	0.6
548.62158	0.5
557.22516	100.0
558.22913	14.9
593.14703	1.4
594.12885	0.6
594.22125	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39379	0.4
57.03335	0.6
58.00467	0.9
59.01265	17.7
61.98709	0.7
67.01785	1.3
69.03328	0.6
69.54786	0.8
69.55112	3.4
71.01266	10.4
72.99197	1.3
73.02822	1.0
74.33582	0.4
76.69829	0.5
78.36546	0.4
79.01787	0.8
81.83980	0.4
83.01284	1.5
83.47456	0.4
85.02853	2.7
87.00773	1.3
89.02339	9.6
93.03346	0.4
95.01295	2.4
95.04936	0.5
96.95957	0.5
97.02862	1.7
99.00756	0.6
100.97231	0.4
101.02354	8.0
107.01285	5.5
109.02870	2.7
111.00792	3.4
113.02357	4.4
119.03415	3.6
120.96719	0.5
121.02895	0.8
122.03721	0.7
123.00807	12.2
123.04398	1.1
124.01589	1.9
124.05162	0.6
125.02371	35.4
126.02698	1.1
127.00282	0.7
131.03389	0.5
133.06529	2.3
136.15845	0.5
136.98761	1.5
137.02386	1.7
137.05998	0.7
139.00298	4.7
139.03911	1.0
139.07581	1.3
140.01070	5.1
141.01845	1.8
145.02859	1.2
149.02367	0.5
149.05994	0.8
151.00314	7.6
151.03908	1.0
152.01051	0.6
153.01862	0.7
158.22614	0.4
161.04536	0.7
163.03896	0.8
163.07578	0.6
165.01927	0.9
166.99690	0.8
167.03490	1.4
168.00598	14.6
169.01385	50.9
170.01776	2.2
179.03462	0.6
193.01395	1.3
203.07118	0.7
205.12344	2.2
208.43416	0.4
211.02480	42.6
212.02823	1.7
217.12350	1.3
235.13516	1.1
241.03534	1.1
243.03018	0.6
245.08249	1.2
255.03056	1.3
271.04642	48.1
272.04950	2.3
284.03421	1.0
285.04108	1.8
289.07251	5.1
300.02756	4.3
300.99969	0.8
301.03278	0.8
313.05679	2.6
330.13306	1.9
331.06799	4.3
331.14096	0.5
385.11569	2.3
397.18768	3.6
423.07358	1.4
441.08417	7.1
441.17709	7.8
442.09106	0.8
442.18106	0.9
482.14426	9.5
483.15131	7.0
484.15167	0.5
531.19037	0.6
549.19965	8.4
550.20490	1.3
565.10797	0.4
575.17877	2.1
593.18951	100.0
594.19330	17.5
601.57861	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12752	0.2
55.81570	0.2
58.97801	0.2
59.01255	0.6
61.46313	0.2
63.02285	0.8
64.97001	0.2
65.00224	0.7
69.39297	1.2
69.39707	0.4
83.01285	0.8
85.02847	0.2
91.01797	0.5
93.03361	1.5
96.95943	0.3
98.20570	0.3
107.01294	3.1
108.02099	0.2
109.02853	1.0
112.98750	0.2
117.03397	0.6
119.01258	0.3
119.04979	0.2
121.02941	0.3
123.00772	0.4
125.02374	1.3
130.04021	0.2
131.05017	0.3
132.02133	0.7
135.00813	1.5
137.02386	0.6
139.00362	0.2
141.07095	0.2
143.04941	1.1
145.02933	0.3
145.06471	0.2
145.63602	0.2
147.04381	0.2
151.00316	2.9
151.04031	0.2
153.01833	1.0
154.04184	0.3
156.05803	0.3
157.06487	0.9
159.04457	1.5
160.04742	0.2
161.02458	0.5
163.00328	2.8
164.01111	0.5
165.01910	0.7
167.04944	0.8
169.01393	1.2
169.06561	0.8
170.06920	0.2
171.04434	1.0
173.02382	0.2
173.06090	0.5
174.03194	0.4
175.04076	0.3
177.01845	0.2
178.99818	0.3
183.04471	1.1
184.05176	0.3
185.02510	0.2
185.06049	2.9
187.03955	3.2
188.04211	0.3
189.05516	0.9
190.99857	0.2
191.03491	0.2
191.05605	0.4
195.04448	0.9
196.05316	0.5
197.06071	1.2
198.03197	0.3
199.04019	1.3
200.04704	0.4
201.05585	0.7
209.00853	0.2
211.02211	0.2
211.04018	3.2
212.04742	0.7
213.05525	2.4
214.02646	0.3
214.05966	0.2
215.03479	0.3
223.04059	0.4
227.03505	40.0
228.03877	3.1
229.05067	13.4
230.05313	0.9
233.00749	0.2
239.03494	2.4
240.04327	0.9
241.05089	2.2
242.05453	0.3
243.03087	0.5
255.03032	66.1
256.03561	8.8
257.04593	8.3
258.04959	0.7
267.03021	1.0
269.04562	0.5
283.02551	0.9
284.03326	71.6
285.04080	97.8
286.04449	7.9
297.04135	0.3
300.99939	0.5
327.05240	1.3
328.05258	0.2
335.88464	0.2
357.35983	0.2
409.11511	0.2
416.48630	0.2
593.15222	100.0
594.15552	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	593.1528
Annotation	Datiscin
Peak:m/z	Relative Intensity
59.01256	0.4
61.98713	0.4
63.02284	1.3
65.00200	0.9
67.01799	0.2
69.64172	1.4
81.98048	0.2
83.01295	0.8
91.98017	0.2
96.95963	0.5
97.46884	0.2
97.70371	0.2
98.19917	0.4
105.03381	0.2
107.01298	2.2
109.02863	0.7
111.00766	0.3
111.44422	0.2
116.31302	0.2
121.02833	0.4
123.00829	0.2
123.23743	0.2
125.02390	1.0
133.02884	3.7
134.03645	0.5
139.00328	0.2
141.34969	0.2
145.02991	0.2
148.01579	0.5
149.02409	1.3
151.00311	4.6
151.03943	0.2
152.00684	0.3
169.01353	0.7
171.04457	0.3
173.05975	0.2
175.00262	0.2
175.04004	1.9
176.04192	0.3
177.01953	0.5
183.04532	0.3
185.05971	0.5
187.03989	0.5
191.05565	0.3
197.06062	0.3
198.03258	0.3
199.04021	1.6
200.04623	0.5
201.01939	0.6
211.04024	0.9
212.04779	0.5
213.05545	0.5
215.03470	0.5
217.05037	1.2
223.38873	0.2
227.03516	1.0
228.04147	0.3
229.05148	0.3
239.03526	0.3
241.05096	0.7
243.03059	0.6
255.03020	1.5
256.03821	3.0
257.04584	0.6
267.02921	0.3
269.04633	2.2
283.02625	0.4
284.03329	64.7
285.04083	94.9
286.04443	8.8
289.07352	0.3
292.55612	0.2
298.04773	0.2
300.99683	0.3
309.04105	0.8
327.05148	1.2
357.05893	0.2
429.08005	0.6
447.09451	2.3
448.09723	0.4
547.00562	0.2
593.15234	100.0
594.15558	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	593.1525
Annotation	Vicenin-2
Peak:m/z	Relative Intensity
54.74829	0.4
55.15265	0.4
57.03333	1.2
59.01264	0.6
61.57988	0.4
62.15568	0.4
65.77642	0.4
70.05067	1.9
71.01264	0.8
79.01806	0.4
81.03343	0.6
81.61559	0.4
83.01288	1.1
85.02824	0.6
93.03368	2.1
95.01302	0.5
97.02862	0.9
99.00780	0.4
101.02382	0.5
107.01321	0.6
109.02861	3.6
110.62428	0.4
111.00768	2.0
113.02331	0.6
117.03381	6.4
119.04974	1.5
121.02865	1.2
123.00807	0.7
123.04425	1.6
123.76687	0.4
125.02357	8.3
131.04979	0.4
133.02882	0.9
135.04462	3.2
137.02393	4.1
138.03204	0.6
139.00301	2.0
139.03906	0.8
141.01857	1.9
147.04405	1.5
148.01642	0.7
149.02399	2.7
149.06049	0.8
150.03242	0.6
151.03944	1.2
152.01117	0.9
153.01857	2.9
159.04427	1.2
161.02373	5.1
161.05983	1.1
162.03096	0.6
163.00243	0.7
163.03918	1.8
164.01054	0.9
165.01888	1.8
165.70789	0.5
166.02620	0.7
167.03371	1.0
169.01410	1.2
171.04401	0.7
172.05225	0.4
173.02354	0.5
173.06087	1.0
175.04001	4.1
176.01096	0.5
177.01950	2.6
177.05533	1.7
179.03435	1.2
181.01355	0.8
187.03983	1.0
189.01892	1.2
189.05530	0.9
191.03510	2.6
191.05200	0.4
193.01212	0.5
193.05101	0.9
197.06067	0.8
199.04141	0.7
201.05609	0.5
202.02805	0.5
203.03482	2.4
205.04984	1.3
211.02396	0.4
213.05521	0.6
215.03473	0.6
216.04012	0.5
217.05095	1.7
221.04480	1.1
223.07756	0.6
224.08492	0.7
225.05635	0.8
225.09254	0.5
233.04543	1.1
237.05600	0.7
238.06490	0.6
239.06987	0.6
241.05132	0.8
245.04576	0.7
245.08284	0.6
251.07242	0.5
253.04822	0.6
259.06198	0.9
267.06689	0.7
268.07404	1.1
279.06827	0.6
281.04642	0.8
281.08224	0.6
282.05353	2.3
283.06259	3.4
285.04147	1.8
287.05594	0.5
289.07205	2.5
295.06186	4.9
296.06912	3.9
297.07758	24.4
298.05295	0.5
298.08044	2.6
301.00177	0.7
303.05206	6.7
304.05743	2.1
307.06216	2.5
309.07654	2.3
311.05637	3.3
323.05753	4.3
324.06226	1.1
325.07242	11.6
326.07507	1.3
328.05920	3.3
335.05695	1.4
337.07196	3.0
341.06729	0.9
351.05276	0.6
353.06735	48.4
354.07114	5.7
355.08157	1.3
356.05435	1.2
365.06775	5.9
366.07153	1.1
367.08286	0.9
383.07806	26.1
384.08051	3.2
387.74289	0.5
395.07785	4.0
397.09271	0.6
407.07858	0.7
413.08829	2.5
419.07947	0.5
425.08853	1.7
455.09692	1.0
473.11047	10.2
474.11249	0.8
503.12210	2.4
575.13660	0.6
593.15271	100.0
594.15637	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	593.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	12.0
69.65933	11.1
81.03339	3.7
82.76439	1.6
83.01275	3.4
95.01285	2.6
95.04934	2.6
96.99303	2.0
97.02802	2.2
99.00812	2.7
109.02855	20.2
111.00784	8.1
121.02869	4.4
123.00797	6.1
123.04449	9.7
124.01589	2.3
125.02367	100.0
126.02692	4.1
133.02910	2.6
135.04425	2.0
136.97453	1.7
137.02380	36.5
138.03146	1.5
139.00323	11.4
139.03976	9.2
141.01855	8.1
146.52579	2.0
147.04521	2.8
149.02341	8.3
151.00296	3.2
151.03996	9.6
153.01898	4.7
159.04460	3.1
161.02380	21.6
161.06042	2.9
162.03081	2.3
163.00238	3.9
163.03914	4.6
164.01100	4.3
165.01939	9.7
166.02621	2.8
167.03497	10.4
174.03142	2.4
175.03993	10.5
177.01904	37.8
179.03465	5.1
187.03961	3.4
189.05455	2.1
191.03482	2.6
200.36903	1.8
203.03372	3.3
203.07094	5.9
205.01430	2.1
205.05089	5.0
213.05550	1.8
217.05040	4.5
219.03157	2.5
219.06601	4.9
221.04556	2.3
227.03523	2.7
229.05164	4.1
231.02966	2.2
243.03014	6.0
245.04532	4.9
245.08203	9.1
255.03120	8.3
256.03714	3.1
269.04468	3.9
271.02826	1.8
271.06012	2.2
273.04123	3.7
274.04196	2.0
283.02582	3.9
285.04147	6.2
287.05615	7.8
289.07260	32.8
290.07507	5.0
297.04141	4.0
299.05450	2.2
303.05157	8.3
305.06747	40.4
306.07092	2.5
315.05069	3.6
353.06775	2.0
356.99597	1.9
398.08905	1.9
407.07761	17.3
423.07306	33.1
424.07535	6.9
425.08777	12.3
426.09128	4.5
441.08362	17.3
442.08698	3.5
449.09082	2.5
455.10172	2.6
467.10175	13.1
575.11853	3.8
593.13177	11.8
594.13226	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	593.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	11.0
57.16848	1.8
64.18818	1.8
64.85646	1.6
71.48668	3.9
81.03365	2.3
83.01304	4.1
93.03353	3.7
107.04962	2.4
109.02859	19.9
121.02883	7.3
123.00819	2.3
123.04449	14.2
125.02370	100.0
126.02715	3.7
133.02867	2.8
135.04472	2.4
137.02370	23.9
139.03946	5.1
149.02434	13.2
151.03964	15.7
159.04507	4.3
161.02437	4.0
161.06085	4.3
163.03992	3.3
164.01122	2.9
165.01875	6.3
167.03458	3.7
171.72331	1.6
173.93367	1.6
175.03947	12.4
177.01898	95.8
178.02325	5.7
179.03419	5.0
187.03926	9.8
188.04768	3.7
199.03999	2.2
202.06284	2.2
203.03447	2.1
203.07088	12.8
205.05028	8.8
215.03445	2.6
217.05084	2.4
219.06631	1.8
221.08185	1.9
228.04314	2.3
229.05078	5.1
231.02985	2.3
243.03021	3.1
245.08228	11.6
247.06117	2.8
255.03035	12.9
256.03833	7.0
257.04626	3.0
261.04266	2.0
272.40369	1.9
273.04202	5.4
280.79764	1.9
281.04587	3.6
283.02512	3.8
285.04059	5.0
289.07272	53.0
290.07663	3.5
297.07416	2.6
303.05157	5.8
305.06689	3.2
315.05225	3.3
339.08755	6.3
407.02261	2.4
407.07773	50.1
408.08151	4.9
423.07211	3.4
425.08820	31.9
426.09225	3.9
441.08490	2.2
467.09772	4.1
593.13135	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	593.1319
Annotation	CHEBI:75666
Peak:m/z	Relative Intensity
57.03339	10.4
60.59043	1.5
69.50349	12.3
75.98146	1.4
77.58716	1.3
80.26060	1.6
81.03357	4.1
83.01276	8.3
85.02909	2.1
93.03378	3.1
95.01299	2.8
95.04932	2.9
97.02853	6.2
98.20487	3.2
99.00794	4.8
106.42435	1.6
109.02859	21.6
111.00790	11.6
121.02883	8.5
123.00804	8.3
123.04431	11.1
124.01606	3.3
125.02370	100.0
126.02712	4.5
133.02882	6.0
135.04460	5.4
137.02374	41.3
138.03111	3.2
139.00340	13.2
139.03935	5.9
141.01860	13.6
145.02872	1.9
147.04500	3.2
149.02361	9.5
149.06041	1.9
150.03203	2.7
151.00340	5.3
151.03941	15.0
152.00978	1.9
153.01898	7.0
159.04465	3.5
161.02394	23.3
161.06067	3.2
162.03008	5.0
163.00313	5.7
163.03955	5.3
164.01100	7.4
165.01903	14.6
166.02579	3.0
167.03452	9.9
173.02449	2.1
173.05914	1.6
174.03267	2.0
175.03983	10.7
177.01906	36.7
177.05519	3.0
178.02367	2.7
179.03448	6.0
187.03975	6.4
188.04739	1.8
189.01865	3.2
189.05569	2.1
191.03441	3.2
193.05029	1.5
199.03996	3.0
201.01735	1.7
201.05569	3.6
203.03447	4.1
203.07097	5.7
205.01360	2.6
205.05049	6.2
215.03497	2.1
215.06953	2.2
217.05106	3.3
219.03122	2.1
219.06664	3.2
221.04501	2.0
227.03622	2.8
229.05093	2.4
236.40173	1.5
242.05467	1.6
243.03001	5.2
245.04526	4.8
245.08202	5.3
247.06096	2.0
250.18546	1.3
255.03017	5.9
256.03641	3.1
257.04498	3.3
259.02573	1.7
259.06055	1.9
261.04187	3.9
263.95303	1.6
268.03394	1.4
269.04599	3.2
271.02423	2.0
273.04160	4.1
281.04599	1.7
283.02634	1.9
285.04187	8.0
287.05521	8.8
289.07233	29.9
290.07501	3.5
297.03979	1.7
303.05057	8.2
304.05557	2.2
305.06720	23.2
306.07013	1.9
315.04803	3.1
407.07840	13.5
408.08072	4.5
421.05286	1.7
423.07254	27.7
424.07742	4.9
425.08774	11.3
426.09061	2.5
441.08350	16.1
442.08801	3.1
449.08820	2.8
455.09415	2.4
467.09772	8.4
468.10562	2.2
575.11975	2.4
576.13306	1.4
593.13470	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	593.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	12.3
59.01265	2.8
65.03831	0.8
67.01774	1.8
68.52115	0.6
71.01266	1.4
81.03339	1.5
83.01276	4.1
89.02332	1.5
93.03373	3.6
94.71001	0.6
95.01292	2.9
95.04923	1.7
97.02864	3.0
99.00759	1.1
107.04963	1.3
109.02867	15.5
110.03166	0.9
111.00841	0.9
111.04447	1.5
117.03410	0.9
121.02835	3.2
122.64757	0.6
123.00778	4.2
123.04444	5.8
124.01575	2.1
125.02371	100.0
126.02716	3.0
131.04965	1.1
133.02831	3.9
135.04457	2.4
137.02376	30.2
138.03094	2.4
139.00349	4.0
139.03952	13.8
141.01863	2.2
145.02901	1.0
147.04480	1.4
149.02428	5.0
149.05997	1.1
151.03937	7.0
152.22054	0.8
153.01837	0.9
159.04453	1.7
161.02397	19.7
161.06009	1.1
162.03096	2.2
163.00343	4.0
163.03989	3.7
164.01105	7.4
165.01898	14.0
165.05524	0.7
166.02557	1.5
167.03461	11.9
173.06079	1.9
175.03978	8.8
175.07607	0.9
177.01898	24.7
177.05472	3.9
178.02623	1.7
179.03476	10.0
179.05290	1.1
181.05063	0.9
183.04512	1.0
187.03966	4.9
187.30893	0.7
188.04523	1.0
189.01852	0.9
189.05524	1.0
190.99863	1.0
191.03452	1.1
193.04982	1.0
199.04062	1.6
201.05547	2.2
202.06219	1.0
203.03571	3.6
203.07106	2.7
204.04283	2.2
205.01459	3.2
205.05104	2.5
210.03383	0.8
211.03998	1.8
213.05519	0.9
214.02663	0.7
215.03546	2.9
215.07141	0.9
217.01379	1.4
217.05049	3.1
219.03094	1.2
219.06609	8.3
221.04541	5.3
225.01834	0.7
225.05618	1.6
227.03526	3.1
227.07382	1.0
228.04269	1.0
229.05072	3.2
230.05876	0.7
231.02989	1.0
243.03012	6.1
243.06671	1.3
244.03656	0.8
245.04585	6.8
245.08298	1.7
246.04976	0.9
247.06165	1.1
253.05200	0.9
255.03024	14.6
256.03729	4.7
257.04608	2.9
261.04083	1.4
261.07758	2.1
263.05768	1.0
269.04532	4.5
270.05194	0.7
273.04111	2.6
281.04837	0.9
282.01709	1.0
283.02570	8.4
285.04245	3.4
287.05667	4.6
289.07285	12.3
290.07724	1.0
293.11917	0.8
297.04047	4.5
299.05688	2.6
301.07297	0.9
303.05096	1.9
305.06735	41.3
306.07178	2.8
327.04816	0.7
340.08441	0.7
355.08441	1.4
397.09329	1.9
407.07767	8.6
408.08060	1.4
409.08075	2.0
423.07281	41.2
424.07538	6.3
424.11682	0.6
425.08847	7.2
426.09238	0.9
441.08377	8.1
442.08792	1.4
467.09976	12.5
468.10406	1.2
549.09113	1.3
575.12042	1.9
593.13385	6.7
594.13525	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.0955
Annotation	Catechin 3,7,-di-O-galate
Peak:m/z	Relative Intensity
57.03328	4.2
58.02876	0.5
59.01262	3.8
63.66174	0.4
64.47669	0.4
67.01768	0.7
69.03349	1.1
69.66856	3.1
71.01277	2.8
72.99169	0.6
74.02364	1.3
79.01801	0.5
81.03352	2.1
83.01286	2.3
85.02866	0.9
87.00749	0.6
89.02358	1.5
93.03389	0.9
94.20463	0.5
95.01296	1.7
95.04955	0.9
96.95914	1.9
97.02865	3.2
98.19880	0.9
99.05583	0.9
101.02360	2.1
107.01283	2.3
108.02125	0.7
109.02866	9.3
111.00786	1.8
112.77651	0.5
113.02344	1.1
117.03363	0.7
119.03390	0.6
121.02876	1.5
123.00819	5.3
123.04453	4.9
124.01611	1.2
125.02370	99.1
126.02728	3.5
127.00307	0.7
128.03474	2.9
133.02896	0.6
133.06557	0.6
135.04446	2.5
136.04987	0.4
136.98715	0.6
137.02374	10.0
139.00325	1.4
139.03923	1.0
140.01100	1.8
143.04558	5.6
145.02898	10.7
145.04024	0.7
146.03636	0.7
149.02367	4.1
150.03177	0.8
151.00305	1.8
151.03961	5.2
151.73418	0.4
152.57219	0.5
153.06654	0.6
159.04420	3.0
160.00629	1.1
161.02393	1.5
161.06029	4.6
161.20801	0.4
162.03206	0.6
163.00356	1.0
163.03941	1.0
164.01151	1.5
165.01900	3.1
166.99825	1.8
167.03406	1.0
168.00592	3.2
169.01385	100.0
170.01726	4.1
173.04434	0.5
175.02592	0.5
175.04016	1.4
177.01927	0.9
177.03342	0.5
178.99730	0.6
179.03287	2.6
179.04800	0.8
183.04500	0.5
185.06067	2.5
187.03992	3.2
188.04764	1.5
189.01926	1.2
190.23946	0.5
191.03519	0.7
191.05566	0.9
193.01413	7.3
194.01839	0.5
201.05508	0.9
202.06277	0.9
203.03445	1.1
203.07143	5.3
205.01349	1.2
205.05074	4.2
210.08856	0.6
211.02448	6.2
211.04160	0.5
219.03020	0.8
221.08159	1.4
225.05727	0.7
227.03506	0.5
227.07144	2.1
229.01617	0.6
229.05025	1.2
230.02187	0.6
231.02995	1.2
243.02896	0.5
245.01102	1.0
245.04474	0.7
245.08238	9.1
246.08539	0.6
247.06274	0.6
253.05077	2.8
254.07884	1.4
257.00983	0.8
259.06213	1.5
271.06503	18.9
272.06491	2.0
272.09076	1.5
274.01239	1.9
275.02051	1.6
284.03235	1.3
285.04135	2.7
287.02029	3.2
287.04990	0.5
288.06610	1.2
289.07257	40.3
290.07562	3.5
300.02853	0.6
301.00089	2.8
301.03241	0.9
303.05176	2.2
306.07727	15.8
313.05692	0.6
315.05194	0.7
321.02698	2.0
331.04636	2.0
362.78421	0.5
397.09344	0.7
401.14383	0.6
423.07312	18.3
424.07910	2.6
425.08560	0.6
427.32486	0.5
441.08356	57.2
442.08633	8.1
482.14688	1.4
483.15497	0.6
549.20105	1.1
593.09436	10.0
593.18799	16.5
594.09814	2.3
594.19409	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	591.2596
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
50.15573	0.3
57.54192	0.3
59.01265	2.6
59.83630	0.3
61.98719	3.0
62.96284	0.4
69.03333	0.5
71.01274	1.6
71.60464	0.6
73.02814	0.5
75.00794	0.4
78.95795	100.0
80.02566	1.3
81.03349	1.9
81.43682	0.3
82.95300	2.4
83.01262	0.7
83.02395	1.9
83.04915	6.7
84.00802	0.4
84.02040	1.2
84.95039	0.9
85.02863	0.8
87.00763	0.4
87.04423	0.3
88.98699	2.8
89.02330	1.0
89.90724	0.3
95.04931	0.7
96.95913	0.9
96.96861	8.3
97.06521	0.4
99.00771	0.5
101.02356	1.2
109.02901	0.4
109.06471	0.3
113.02361	0.6
123.00788	0.5
125.02365	1.7
125.06044	0.8
125.09633	0.3
134.98466	1.3
135.08095	1.0
137.02350	0.5
140.19661	0.4
147.11771	0.5
150.97940	0.5
151.03987	0.3
152.99525	58.3
153.99950	0.8
163.11226	5.8
164.11617	0.4
165.12819	2.9
169.01396	0.9
171.00581	0.9
181.12294	0.7
191.10724	1.3
201.45740	0.3
209.11816	90.5
210.12178	6.7
211.13298	0.4
215.13602	0.3
227.12891	10.1
228.13309	0.8
270.93201	0.4
289.07141	0.3
302.99274	0.3
323.80707	0.4
363.12213	42.2
364.12598	3.7
381.13272	11.2
382.13477	0.6
459.28162	0.4
531.28052	1.8
546.21960	0.3
591.25903	62.1
592.26343	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	591.2626
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
56.77230	1.8
67.55861	2.0
68.17159	1.8
78.79401	2.0
79.37379	1.8
101.43195	1.9
123.96030	2.4
160.46344	2.0
179.50668	2.0
283.55850	2.0
332.42438	2.0
450.37238	2.5
487.25302	2.4
497.23242	2.7
499.21793	4.7
500.22217	11.5
501.22638	3.4
515.24597	100.0
516.25049	23.3
559.23810	6.8
569.11536	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	592.299
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68196	0.1
59.01269	0.3
59.17486	0.1
61.98717	100.0
62.99115	0.1
67.04832	0.1
69.34608	1.0
71.01267	0.2
78.95794	1.8
80.96415	0.2
82.10665	0.1
96.96893	0.1
99.99069	0.1
101.02370	0.1
125.02373	0.2
152.99588	0.6
153.99803	0.1
173.33073	0.1
208.10577	0.1
209.11908	0.1
211.00267	0.1
211.13371	0.5
212.13776	0.4
225.11339	0.1
226.11923	0.1
264.94879	0.1
295.98828	0.1
592.26160	0.2
593.26715	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	4.2
59.40902	0.8
61.98719	94.2
62.98422	1.2
71.01268	1.8
75.00768	1.2
78.95796	100.0
78.98513	0.8
78.99102	0.7
79.95618	1.2
80.96408	7.7
81.03342	1.0
85.02827	1.4
87.00800	0.9
88.98689	1.8
94.97970	1.8
96.95878	0.7
96.96865	8.2
97.02847	1.7
109.06514	9.7
110.06807	0.9
125.02354	1.1
134.98421	1.5
135.08020	1.4
142.02620	1.0
150.97861	0.9
152.99532	59.3
161.04520	0.6
163.11256	4.2
164.98532	1.5
167.14185	0.8
169.01309	0.8
171.00517	1.3
180.75932	0.6
181.12224	2.9
183.13919	4.9
184.12674	0.7
184.14273	0.7
193.12328	1.3
199.09761	1.0
207.08429	1.3
207.10251	19.8
208.10504	0.7
211.13390	56.5
212.13672	3.4
225.00581	2.1
225.09280	1.0
225.11314	15.5
233.31322	0.7
347.12717	7.7
361.10718	8.7
362.10858	0.9
365.13870	7.1
366.14038	0.8
379.11725	3.6
391.58847	0.7
448.61249	0.7
518.28687	0.8
521.27692	0.8
532.88312	0.8
554.36957	0.7
573.24017	2.9
573.35748	1.1
574.24487	1.1
591.25031	16.1
592.24866	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	591.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00679	0.3
57.03334	0.3
59.01266	3.4
61.98720	1.4
65.00223	0.4
66.22765	0.3
67.01770	0.4
69.03346	0.4
71.01276	3.4
71.58756	0.5
73.02855	0.9
75.00766	0.5
78.95805	1.3
79.95641	5.1
81.03340	0.5
83.01282	1.0
85.02839	1.1
87.00768	0.7
88.98694	1.6
89.02322	1.7
93.03391	0.7
95.01291	1.6
96.95918	100.0
97.02867	1.0
99.00797	0.6
101.02361	1.9
107.01286	1.9
109.02863	1.1
110.00046	0.4
111.00780	1.3
113.02342	1.1
116.92785	0.4
121.02907	1.1
123.00816	7.4
123.04466	0.7
124.01599	0.9
125.02369	9.4
126.02705	0.4
136.98734	0.7
137.02386	1.5
138.03288	0.4
139.00299	2.6
139.03992	1.9
140.01082	1.2
141.01854	1.0
145.02898	0.7
149.02367	0.7
149.04486	0.4
150.03146	0.4
151.00281	1.7
151.03946	1.0
152.99516	0.3
153.01862	0.4
161.02472	0.5
161.04526	0.9
163.00365	0.4
165.01906	0.4
166.99817	2.4
168.00629	3.2
169.01384	7.9
170.01750	0.7
171.10153	0.5
173.04628	0.5
177.01880	0.4
181.01398	0.7
183.02962	3.5
190.02660	0.7
191.05684	0.3
195.02927	0.6
197.04626	0.5
201.11249	0.4
205.05052	0.9
206.99852	3.5
268.07645	0.4
269.08255	1.1
281.08301	0.6
282.09106	0.5
289.07324	1.0
299.09201	0.8
300.09906	0.5
301.00009	0.8
311.09244	0.4
314.11649	1.0
315.12503	2.7
323.09857	0.6
327.12561	1.0
329.14020	0.8
331.69028	0.3
332.09393	0.4
367.10205	0.3
375.10837	0.9
399.23907	0.5
439.10797	13.9
440.11066	1.3
451.10272	1.5
452.11035	0.4
466.12814	5.0
467.13211	0.7
478.12836	4.2
479.13425	0.4
481.15131	19.0
482.15491	3.2
493.15137	7.2
494.15543	1.2
511.16263	8.0
512.16675	1.1
531.10504	0.9
531.27625	3.0
591.11884	67.7
592.12085	11.4
592.27252	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1153
Annotation	Robinetinidol-(4alpha->8)-dihydrorobinetin
Peak:m/z	Relative Intensity
52.47232	2.2
53.74053	2.0
57.03323	13.3
71.57008	4.0
81.03359	4.4
83.01278	6.8
91.40411	2.6
93.03365	6.8
95.01288	6.4
95.04882	2.7
97.02869	4.1
99.00758	6.9
105.03345	2.9
109.02873	18.8
111.00801	19.2
119.04930	4.9
121.02866	7.7
123.00801	11.7
123.04440	10.2
125.02369	100.0
126.02682	2.6
127.00339	3.5
131.05051	3.0
133.02872	10.5
135.04422	4.1
137.02371	50.2
138.03123	8.0
139.00304	23.8
139.03960	4.3
141.01909	14.8
145.02866	5.0
147.00784	4.3
147.04495	5.2
149.02391	14.7
150.03122	5.2
151.00333	8.9
151.03957	8.3
153.01889	15.8
158.03705	3.3
159.04460	10.3
161.02383	36.2
162.03040	4.1
163.00301	18.5
163.04013	13.0
164.01126	12.2
165.01892	17.4
166.02682	11.4
167.03468	7.6
173.02444	3.8
173.04567	2.4
174.03143	5.4
175.00424	3.5
175.03981	22.3
176.01122	3.1
177.01901	57.9
177.03468	3.1
178.02365	4.2
178.99750	4.8
179.03416	6.0
180.00682	2.8
187.03976	8.2
189.01920	7.0
189.05449	5.5
190.02621	4.5
191.03452	12.5
193.01436	4.3
193.05032	2.3
199.03970	9.8
201.01952	5.7
201.05615	3.9
203.03510	11.8
203.07150	3.8
205.01427	3.5
205.05132	5.9
206.01971	2.6
211.03969	2.9
213.05542	4.7
214.02769	3.5
215.03496	7.9
217.01445	3.5
217.05003	11.1
219.02972	5.5
227.03546	4.1
229.01530	3.6
229.05060	5.9
231.03011	3.8
241.05148	4.7
241.08607	2.5
243.02963	14.4
245.04565	4.9
255.03061	8.9
256.03775	5.3
257.04623	9.6
258.04797	2.5
259.02487	22.1
261.04095	9.5
269.04532	4.3
271.02518	5.8
272.03305	5.5
273.04031	8.2
275.05600	3.7
283.02658	5.5
285.04208	18.6
286.04416	2.8
287.02130	3.2
287.05682	13.4
289.04169	4.4
289.07169	17.7
299.02310	3.2
299.05597	4.2
301.03610	15.2
301.06802	4.3
303.05148	40.8
304.05734	7.5
313.03607	5.5
327.05118	7.1
329.06927	5.8
395.07608	4.3
400.23822	2.4
407.07858	8.9
411.07407	2.6
421.05756	21.6
422.06320	6.5
423.07538	20.6
424.07651	5.0
425.08823	10.6
439.06778	32.1
440.07401	9.6
441.08347	9.6
453.08685	3.2
465.08386	9.3
555.09180	3.5
573.10669	4.8
591.11548	17.3
592.11304	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	590.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01787	1.1
58.00472	5.0
59.01268	98.9
60.01583	1.3
61.98719	5.5
67.55195	1.0
70.02868	2.8
71.01272	68.1
71.27808	1.1
71.60381	1.3
72.01590	1.4
72.99204	8.8
73.02841	2.2
83.01286	3.4
85.02847	13.1
85.06461	1.7
87.00753	3.3
88.03930	2.5
89.02341	73.4
90.02664	1.4
95.01274	5.0
98.02349	2.0
101.02351	43.8
108.08085	5.1
109.06519	1.2
113.02356	23.0
119.03422	29.8
120.03766	1.2
125.02396	2.3
126.09163	8.6
131.03410	3.7
138.09154	3.2
143.03418	6.8
149.04518	2.4
154.08742	1.5
156.10262	2.7
161.04504	6.6
166.08754	2.4
179.05588	16.7
184.09737	2.4
206.14159	1.1
223.20680	1.2
225.22250	16.6
246.34311	1.1
253.21837	4.0
270.24371	1.3
271.22821	6.6
296.25943	4.2
312.25580	1.7
324.25507	1.2
392.31863	3.2
410.32849	46.1
411.33347	5.6
428.33899	17.5
429.33902	1.6
590.39258	100.0
591.39777	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	589.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	25.7
61.98721	8.6
71.01270	6.5
71.04902	2.4
73.02828	1.7
73.10361	0.9
74.73996	0.9
85.02820	2.3
86.92131	1.1
89.02316	4.9
96.95917	3.0
101.02369	5.9
103.60746	1.0
105.51440	0.9
108.76714	0.9
109.85148	0.9
113.02390	2.8
119.03405	1.1
125.02362	2.3
161.04547	2.8
209.11870	1.7
223.17035	2.5
229.77611	1.1
235.08234	1.2
235.17065	19.6
245.66966	0.9
253.09329	25.1
254.09729	1.6
256.38156	1.0
275.17419	2.0
275.20230	23.6
275.23233	1.3
276.20578	2.1
293.21298	100.0
294.21625	10.6
321.05167	1.1
529.30762	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01287	0.1
71.00694	0.1
71.60666	0.1
72.99196	2.2
73.24337	0.1
75.00764	100.0
76.01098	1.1
77.09900	0.1
153.62300	0.1
277.21866	0.4
279.22330	0.1
293.21228	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47655	1.3
59.01263	31.1
61.98715	17.5
71.01282	5.6
73.02836	2.2
85.02836	2.6
89.02341	4.5
94.96670	1.3
96.95921	1.5
101.02341	6.3
109.74560	1.3
113.02379	1.9
119.03355	2.0
121.10130	6.2
139.86937	1.2
161.04564	2.4
171.10229	20.1
172.10547	1.6
183.13861	3.5
194.95885	1.3
201.52058	1.3
205.12433	1.3
206.51271	1.3
229.73923	1.6
231.21198	1.8
253.09326	27.5
275.20190	28.2
276.20523	2.2
293.21289	100.0
294.21603	11.7
529.29578	1.4
568.31909	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.4
59.01275	5.9
60.99168	0.9
61.98719	8.7
65.00216	1.1
67.01759	1.6
68.99670	1.1
69.03352	1.5
71.01263	4.3
71.61840	0.8
72.99204	1.2
73.02820	0.9
74.68431	0.8
78.95797	7.0
79.01769	1.0
81.03371	0.9
83.01275	2.8
83.04873	0.8
85.02838	2.1
87.00774	1.7
88.98695	2.3
89.02316	1.5
93.03361	1.6
95.01298	4.4
95.79977	0.8
96.95918	5.1
97.02839	2.0
101.02363	2.9
107.01308	9.6
109.02882	2.3
110.00017	1.2
111.00798	4.3
113.02326	1.9
119.04935	1.3
123.00811	17.7
123.04421	2.4
124.01636	3.8
125.02374	51.7
126.02745	1.6
127.00297	1.3
128.03474	1.0
135.04422	1.0
136.98752	2.3
137.02368	3.4
139.00334	5.6
139.03963	1.0
140.01094	7.2
141.01874	3.0
145.02904	2.0
149.02361	1.7
150.03181	0.9
151.00304	10.9
151.03929	2.2
153.01874	2.1
155.10730	1.4
158.60753	0.8
161.02415	2.4
163.00314	1.3
163.03998	2.1
165.01901	2.3
166.99861	2.0
167.03467	2.0
168.00598	12.1
169.01389	53.9
170.01718	2.3
173.02203	0.7
173.04510	0.9
174.01463	0.7
175.03928	1.2
177.01865	2.4
181.01398	1.0
184.70140	0.8
187.03963	0.8
189.01895	2.5
191.03479	1.8
193.01544	1.3
203.03491	1.7
209.00856	1.0
211.02469	5.8
217.01414	2.4
217.68056	0.7
219.03018	1.3
271.04669	2.4
282.18854	1.0
289.07224	2.4
300.99915	2.7
313.05771	4.7
341.06717	2.4
371.31448	1.0
417.11975	4.2
435.13086	12.3
435.22610	1.0
524.21680	1.5
525.23816	10.4
582.55756	0.8
583.33569	0.8
586.26147	1.3
587.14197	100.0
588.14685	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	587.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86790	0.4
57.03329	1.0
59.01266	4.1
61.98712	1.5
64.82274	0.3
65.00216	1.0
67.01770	1.2
68.45969	0.3
68.99730	0.5
69.03347	1.3
71.00946	0.3
71.01267	2.5
71.04899	0.3
72.99192	0.7
73.02855	0.6
75.00781	0.4
76.51854	0.3
79.01787	1.3
81.03345	1.8
83.01276	0.7
85.02853	1.2
87.00770	0.5
89.02347	1.0
93.03358	1.4
95.01281	2.7
96.95901	1.0
97.02872	1.5
98.20573	0.8
101.02361	1.1
107.01292	10.3
108.01622	0.5
109.02868	1.5
109.99953	0.5
111.00794	3.7
113.02348	1.2
116.10284	0.4
119.04932	1.6
121.02902	0.6
122.03633	0.7
123.00804	18.1
123.04436	3.5
123.09363	0.4
124.01630	2.5
125.02369	55.7
126.02719	2.0
127.00308	1.8
135.04437	0.5
136.98749	2.7
137.02403	1.3
139.00316	6.4
140.01085	6.3
141.01866	2.4
145.02896	1.1
149.02397	3.4
149.06035	0.5
150.03172	3.6
151.00319	14.0
151.03897	0.8
153.01912	1.1
154.99709	0.6
161.02405	0.7
163.03944	0.7
164.01076	0.5
165.01930	0.6
165.05554	3.6
166.06232	1.2
166.99820	0.8
167.03427	8.0
168.00604	9.3
169.01385	56.7
170.01733	2.4
175.03983	0.5
177.01924	2.6
179.03459	1.2
181.05013	0.7
181.08661	0.8
189.01930	2.4
190.02809	0.5
191.03383	1.0
193.01416	0.8
193.05016	0.5
195.06612	2.0
203.03439	0.4
211.02469	4.1
217.01419	1.8
219.02916	0.5
229.08746	0.4
231.03000	0.7
231.28384	0.4
237.04207	0.6
241.03551	0.4
253.03371	0.6
271.04385	3.3
273.07755	6.5
289.07214	0.7
295.04605	0.9
299.05716	0.9
313.05701	3.0
314.05627	0.4
323.05664	0.8
341.06650	3.6
381.09921	0.6
401.12454	0.6
417.12018	6.1
418.12143	0.8
425.08917	7.9
425.21912	1.1
426.09213	1.5
435.13150	16.3
436.13681	2.0
503.38266	0.4
539.22638	2.9
582.58643	0.4
587.14252	100.0
587.27179	16.1
588.14526	18.3
588.27594	2.5
606.80249	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.8
59.01273	2.1
60.18179	0.5
61.98725	2.4
65.00211	0.6
67.01782	1.2
69.03350	1.9
71.01277	2.1
78.95807	0.6
79.01777	1.1
81.03348	6.1
83.01281	3.8
87.00796	0.5
88.05667	0.4
89.02337	0.6
93.03371	5.5
95.01279	2.0
95.04935	0.9
96.95934	2.2
96.96848	0.6
97.02856	2.3
101.02332	1.0
105.03349	0.5
107.01261	4.3
109.02859	7.5
111.00810	1.3
113.02357	0.7
117.03398	1.1
119.04934	7.2
121.02860	1.3
123.00808	7.1
123.03539	1.0
123.04440	19.0
124.01572	1.5
124.04777	0.6
125.02367	79.1
126.02715	2.9
127.00365	0.6
133.02852	1.2
135.04390	0.7
136.98767	0.7
137.02364	2.0
139.00313	1.8
139.03969	0.6
140.01106	1.4
141.01828	0.6
143.65247	0.5
145.02882	5.7
147.04451	1.4
149.02364	3.3
150.03203	2.7
151.00298	4.7
151.03944	7.9
159.04518	1.0
161.02402	1.3
161.06032	1.7
163.03941	1.3
165.01891	1.7
165.05518	2.4
166.02615	0.5
166.99785	3.1
167.03448	30.9
168.00613	4.5
168.03784	1.0
169.01378	100.0
170.01718	4.7
173.02454	0.5
175.03978	0.8
177.01894	15.7
178.02193	1.1
179.03374	2.3
185.06070	0.7
187.04002	2.2
188.04707	0.7
189.01888	13.9
189.05487	1.6
190.02631	3.8
191.03461	6.1
192.03827	0.6
193.01396	10.0
194.01714	0.6
195.06638	1.4
201.01866	0.6
203.03459	1.6
203.07112	0.6
205.01401	0.8
209.04398	0.5
211.02449	4.6
216.00642	3.1
217.01424	8.8
218.02074	1.0
219.02985	4.2
227.07161	1.1
229.05051	4.5
229.08754	1.5
231.03026	3.5
232.03685	0.8
233.04526	0.8
233.69263	0.5
241.05258	0.9
245.08295	0.6
255.06839	0.6
259.06052	0.6
268.03763	0.6
269.08157	0.6
271.06396	6.9
272.06500	0.8
273.07748	15.9
274.08130	1.6
275.05603	0.9
279.06824	0.5
281.04636	3.9
282.05267	0.9
283.06158	4.5
285.04221	0.5
289.07184	2.5
295.06250	0.8
297.07794	3.7
298.08069	0.9
300.99942	0.6
303.05142	5.1
311.05743	2.8
313.05728	11.0
323.05554	3.0
341.06717	40.7
342.07098	4.9
391.17538	0.6
408.71225	0.5
417.09927	3.4
425.21973	1.5
435.10898	33.2
436.11237	5.1
439.08975	2.4
461.08997	0.6
477.08398	3.5
480.12399	0.5
493.08270	0.6
529.37543	0.5
586.27722	0.5
587.14130	57.1
587.26819	2.5
588.14392	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	587.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	5.2
59.01266	2.6
61.98730	0.7
65.00198	1.1
67.01785	0.6
68.99696	0.8
69.03344	1.2
69.06390	0.5
71.01273	5.0
72.99216	0.5
73.02824	0.9
74.07518	0.4
79.01746	0.5
81.03342	7.4
82.51099	0.4
83.01263	5.1
85.02870	0.9
87.00758	0.6
89.02335	0.6
90.53557	0.4
93.03362	3.7
93.14913	0.4
95.01305	1.3
95.04925	0.9
97.02859	1.5
98.19852	1.4
99.00799	0.5
99.04427	0.8
101.02337	1.9
107.01297	7.7
107.04912	4.0
109.02850	0.7
109.93481	0.4
111.00778	1.4
113.02354	1.5
119.04943	7.9
120.05345	0.5
121.02837	2.1
122.03677	2.3
123.00801	7.7
123.04440	22.0
124.01606	1.3
124.04753	0.9
125.02364	95.9
126.02728	2.4
127.00298	0.7
135.04449	1.0
136.98732	0.9
137.02356	1.3
137.06000	0.6
139.00346	2.6
139.03964	0.8
140.01125	2.3
141.01831	1.4
143.04480	0.5
149.02383	3.1
150.03172	0.5
151.00305	7.2
151.03909	0.7
153.01831	0.7
165.01859	1.0
165.05504	2.0
167.03447	51.4
168.00632	3.4
168.03766	2.8
169.01372	79.7
170.01740	2.9
179.03490	3.4
180.04019	0.5
189.05531	3.6
191.03487	2.0
193.01413	0.7
209.11810	0.8
211.02466	6.7
223.02391	0.6
229.08684	6.3
233.43832	0.4
241.03552	2.3
255.06540	1.0
271.04608	5.7
273.07751	28.0
274.08127	2.7
297.07797	1.0
306.07819	0.7
313.05716	49.3
314.06000	3.8
315.08701	0.5
375.62402	0.5
435.13055	7.6
436.13177	1.5
439.08890	45.0
440.09302	5.4
513.75934	0.5
543.15076	1.2
569.13837	0.5
587.14160	100.0
588.14490	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	587.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.2
59.01258	1.8
61.98724	1.8
65.00204	0.3
67.01785	0.4
69.03336	1.8
71.01272	1.0
78.95791	0.4
79.01741	0.4
81.03352	1.4
83.01282	1.1
88.98700	0.6
89.03843	0.4
93.03359	4.8
95.01288	1.4
95.04932	0.4
96.95902	0.8
97.02847	1.6
98.97829	0.2
101.02336	0.7
105.03364	0.3
107.01302	1.4
108.02093	0.3
108.04105	0.2
109.02862	10.2
110.03233	0.4
111.00817	0.5
113.02348	0.3
117.03335	1.4
119.04925	2.4
121.02857	1.2
122.03658	0.3
123.00806	4.1
123.04441	8.9
124.01598	0.7
124.04772	0.5
125.02366	62.1
126.01867	0.3
126.02701	1.3
132.42096	0.2
133.02881	2.1
134.03693	0.4
135.04420	0.6
137.02383	0.8
139.00287	0.8
140.01122	0.7
141.01848	0.4
143.04980	0.4
145.02885	8.8
147.04478	1.2
149.02380	2.5
150.03149	1.4
151.00336	1.3
151.03954	8.4
152.04234	0.3
157.06407	0.3
159.04526	1.3
161.02390	1.5
161.06013	1.5
162.03218	0.6
163.03989	0.8
165.01894	0.8
166.99834	4.1
168.00578	2.7
169.01378	100.0
170.01724	3.4
173.02431	0.3
175.03934	0.4
176.01132	0.7
176.04759	0.3
177.01892	26.6
178.02274	0.8
183.04491	0.3
185.06087	0.5
187.03975	3.2
188.04723	1.0
189.01897	19.4
190.02670	5.6
191.03465	4.1
193.01393	8.6
194.01848	0.5
199.07678	0.4
201.01852	1.4
201.05600	0.7
203.03476	2.2
203.07129	0.9
205.01376	0.6
205.05063	0.8
211.07571	0.4
216.00638	4.2
217.01414	16.0
218.01961	2.0
219.02968	6.6
220.03328	0.5
222.01707	0.4
225.05600	0.4
227.07170	1.4
229.05092	4.7
229.08734	1.0
230.05487	0.3
231.02983	5.8
232.03613	1.0
233.04512	0.4
235.07523	0.3
237.05383	0.3
241.04982	1.3
243.06718	0.7
245.08275	0.6
251.07059	0.3
253.05121	1.0
255.06625	0.7
259.06213	0.9
264.04413	0.4
265.04990	0.5
269.04657	0.8
269.08395	0.4
271.06192	11.1
272.06534	1.0
275.05759	1.1
277.05304	0.5
279.06625	0.8
279.19653	0.3
281.04639	4.3
282.05194	0.9
283.06226	5.5
284.06793	0.5
289.07169	3.0
295.06229	0.8
297.07703	3.6
297.20889	1.1
303.05203	5.2
311.05670	4.0
312.06097	0.4
323.05649	7.6
324.06018	0.8
337.23868	0.4
339.05191	0.4
341.06714	58.5
342.07071	4.6
357.07898	0.3
365.19901	0.4
373.10825	0.4
376.06003	0.5
383.04041	0.4
417.09903	7.1
418.10428	1.1
425.21964	6.3
426.22449	0.4
435.10928	52.5
436.11282	6.9
461.08963	1.1
467.23041	0.3
477.08459	3.9
478.08975	0.4
493.07635	0.3
524.22339	0.4
525.23615	1.1
587.12250	11.1
587.27319	3.4
588.12500	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	587.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59872	0.2
57.03335	1.2
59.01262	1.6
61.98711	3.7
65.00210	0.9
67.01779	0.8
69.03343	1.6
69.71201	0.4
69.71609	1.4
71.01273	1.7
73.02841	0.4
78.95795	0.4
79.01805	0.5
80.12213	0.2
81.03345	4.2
83.01272	2.8
85.02838	0.6
89.02325	0.4
93.03359	4.6
95.01295	1.4
95.04941	0.9
95.91793	0.2
96.95939	1.3
97.02836	2.1
101.02338	0.6
105.03374	0.3
107.01293	3.5
108.02064	0.6
109.02863	8.4
111.00796	0.9
113.02356	0.6
117.03360	0.9
119.03584	0.3
119.04945	5.7
120.05281	0.4
121.02862	1.3
122.03695	0.3
123.00795	5.0
123.04441	15.6
124.01614	1.2
124.04803	0.6
125.02367	66.3
126.02706	2.0
127.00288	0.4
133.02878	1.3
135.04451	1.0
136.98782	0.5
137.02357	1.3
139.00334	1.5
139.03941	0.5
140.01076	1.0
141.01855	0.9
143.04956	0.4
145.02884	4.7
146.98685	0.2
147.04462	0.9
149.02405	2.7
150.03166	0.7
151.00314	4.2
151.03944	7.1
153.01854	0.6
159.04477	1.0
161.02394	1.7
161.04657	0.3
161.06036	1.5
163.03961	1.1
163.07680	0.3
165.01888	0.9
165.05553	0.6
166.02635	0.2
166.99852	2.8
167.03448	25.8
168.00604	4.8
168.03789	1.0
169.01378	100.0
170.01701	2.8
175.00272	0.4
175.03935	0.3
176.01070	0.5
177.01891	14.7
178.02226	0.6
179.03473	2.2
181.05003	0.4
183.02931	0.3
183.04454	0.4
185.06076	0.7
187.03976	1.7
188.04735	1.1
189.01906	12.4
189.05557	1.1
190.02661	3.7
191.03477	4.8
193.01401	8.9
193.03204	0.4
194.01860	0.7
195.06592	0.5
201.01923	0.8
201.05537	0.3
203.03510	1.5
203.07092	0.6
205.01505	0.5
205.05057	0.4
209.04544	0.6
211.02448	4.2
211.04027	0.2
213.05542	0.4
216.00620	2.9
217.01422	9.4
218.02100	1.5
219.03043	4.0
227.07132	1.0
229.05109	3.9
229.08636	1.7
230.05426	0.3
231.03023	3.8
232.03589	0.4
233.04663	0.6
237.05511	0.3
241.05276	0.4
245.08223	0.6
253.05139	0.4
255.06688	0.8
259.06207	0.9
264.04352	0.3
265.04968	0.3
269.04608	0.5
269.08304	0.4
271.06372	8.5
272.06604	0.4
273.07751	14.3
274.08099	0.9
275.05737	1.1
279.06805	0.3
281.04587	3.9
282.05289	0.6
283.06192	4.4
284.06458	0.5
289.07297	2.7
290.07562	0.4
295.06223	0.7
297.04453	0.4
297.07687	4.4
298.08041	0.4
302.97827	0.3
303.05170	4.5
311.05655	2.4
312.05927	0.4
313.05695	8.8
314.06192	0.6
323.05637	3.1
324.06070	0.3
341.06717	43.2
342.07095	3.7
376.05804	0.3
381.23550	0.3
383.04190	0.4
417.09933	4.1
418.10382	0.5
425.22015	0.8
435.10910	31.9
436.11328	4.8
439.09036	2.0
444.12836	0.3
461.08655	0.6
477.08371	3.4
481.09879	0.4
493.08255	0.5
523.22229	0.7
524.22278	0.8
569.83417	0.3
587.14130	45.8
587.26544	3.0
588.14447	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	587.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88925	0.3
57.41713	0.3
59.01275	0.8
61.98718	1.2
65.00210	0.6
67.01777	0.4
69.03360	1.8
69.90627	1.8
71.01284	0.5
72.95044	0.3
78.95776	0.7
80.48775	0.3
81.03352	1.1
83.01281	0.9
88.98713	0.3
89.03884	0.9
93.03357	8.6
95.01279	1.6
95.04943	0.9
96.95925	1.3
97.02852	1.8
105.03384	0.7
107.01287	1.2
108.02086	0.5
109.02867	13.7
109.20525	0.3
110.03187	0.3
111.00780	0.5
117.03349	2.1
119.04972	1.6
121.02872	1.3
123.00793	3.4
123.04441	10.5
124.01583	0.8
124.04713	0.4
125.02365	59.9
126.02687	1.9
129.98952	0.3
131.04916	0.4
133.02882	4.7
135.00793	0.6
135.04469	1.2
137.02333	0.9
137.09659	0.4
139.00325	0.6
140.00955	0.4
143.04991	0.4
145.02887	14.3
146.03284	0.5
147.04471	2.4
149.02353	2.3
150.03185	2.8
151.00308	0.4
151.03957	6.2
155.10747	0.6
159.04477	1.5
161.02385	1.5
161.06003	1.0
163.00323	0.8
163.03941	0.7
165.01807	0.6
165.05473	1.8
166.05856	0.5
166.99815	4.6
168.00583	1.0
169.01375	100.0
170.01704	3.9
173.02354	0.4
175.03963	0.9
176.01102	0.9
177.01889	51.2
178.02283	1.9
183.40990	0.3
185.06076	0.3
187.03984	2.8
189.01897	39.9
190.02657	9.9
191.03465	9.5
193.01382	6.0
195.06596	1.0
196.06885	0.8
201.01880	3.8
203.03490	4.2
203.07079	0.5
204.03770	0.6
205.01392	0.7
205.05048	0.4
212.04884	0.4
213.01958	0.4
216.00623	6.5
217.01416	32.7
218.01955	3.1
219.02985	12.0
220.03400	0.6
225.05461	0.3
227.07133	1.0
229.05052	2.8
229.08681	0.5
231.02994	10.9
232.03580	1.3
233.04520	0.9
235.07607	0.6
241.05093	3.6
243.06602	0.5
245.04736	0.3
245.08188	1.0
251.07108	0.6
253.05177	0.5
255.06644	0.7
256.03903	0.3
259.06317	0.6
267.06647	0.5
269.04562	1.8
271.06195	10.8
272.06390	0.7
275.05698	1.7
279.06763	0.8
281.04630	2.0
282.05154	0.5
283.06174	6.0
284.06607	0.6
289.07217	3.5
295.06189	1.0
297.07755	1.9
298.08258	0.4
303.05017	0.6
305.04678	0.9
311.05652	7.4
312.06119	0.9
323.05652	22.7
324.05984	2.0
325.07153	0.4
341.06720	65.3
342.07050	6.5
383.03992	0.7
417.09869	14.2
418.10217	1.9
425.21866	0.8
433.09372	1.0
435.10913	88.3
436.11264	10.7
437.08667	0.7
461.08734	0.9
477.08307	4.8
478.09183	0.5
543.12726	0.5
587.12085	26.6
587.28577	1.0
587.30664	1.0
588.12354	4.8
610.80042	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	2.5
61.98715	5.3
65.00195	0.7
67.01772	1.6
67.55875	0.5
69.03357	1.8
71.01303	0.9
71.68494	0.5
79.01803	0.7
79.83762	0.6
80.91592	3.6
81.03369	1.2
83.01277	1.3
85.02908	1.0
89.03872	0.9
89.37684	0.6
93.03358	7.1
95.01295	2.1
95.04932	0.8
97.02866	2.0
98.19782	2.1
101.02365	1.1
107.01310	2.0
109.02862	13.0
111.00802	2.0
116.04985	0.8
117.03384	2.0
119.04977	2.3
121.02889	2.2
123.00805	8.7
123.04436	9.2
125.02371	54.4
126.02696	1.5
128.17058	0.7
133.02881	4.0
135.04398	0.6
137.02354	0.9
139.00311	3.4
140.01080	1.0
145.01810	1.1
145.02899	14.7
146.03293	0.8
147.04434	2.1
149.02419	1.4
150.03181	1.1
151.00296	2.8
151.03951	5.1
154.99844	1.0
156.07240	0.6
159.04478	1.2
161.02426	1.8
161.06085	0.9
163.04002	1.5
165.01903	0.7
166.99818	6.0
168.00589	1.5
169.01387	100.0
170.01738	4.4
175.03993	0.9
176.01122	0.8
177.01904	42.5
178.02283	2.3
184.38077	0.6
187.04004	2.2
189.01917	37.5
190.02661	8.5
191.03482	8.5
193.01408	4.9
197.06030	0.7
201.01942	3.2
203.03506	3.5
211.02452	1.5
214.94476	0.6
216.00609	6.1
217.01440	27.3
218.02031	2.5
219.03004	10.0
221.77312	0.6
229.05095	2.5
231.02979	8.6
232.03664	0.9
241.05107	2.8
246.24205	0.7
253.04973	0.7
253.57060	0.7
269.04568	1.8
271.06372	8.9
275.05771	1.6
281.04623	2.1
283.06247	6.0
289.07257	2.8
297.07791	1.5
308.03412	0.9
311.05664	6.6
312.06104	1.2
316.99420	1.5
323.05682	21.6
324.06073	2.5
339.05176	0.9
341.06735	59.8
342.07001	5.9
351.50955	0.7
417.09879	10.7
418.10248	1.4
421.11581	2.6
430.64392	0.7
433.09125	1.0
435.10928	92.2
436.11261	13.5
437.08813	1.3
461.09384	1.1
477.08643	3.3
483.18942	1.0
506.66479	0.7
542.69855	0.7
551.24915	4.2
587.12140	10.9
587.27087	18.4
588.11884	2.6
588.26868	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	586.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.2
57.03336	0.4
58.00469	0.3
59.01046	0.2
59.01268	2.1
61.98718	7.4
66.91886	0.2
67.01769	0.7
69.03333	0.3
69.35641	1.9
71.01273	2.3
71.04885	0.2
72.99190	0.5
73.02829	0.8
73.92013	0.2
79.01786	0.8
81.03408	0.2
83.01273	0.6
85.02848	1.3
87.00764	0.4
87.12833	0.2
95.01286	1.2
96.99258	0.2
97.02852	0.6
99.00793	0.5
101.02355	1.4
106.46301	0.2
107.01298	2.5
109.02847	0.4
111.00793	1.4
113.02351	0.8
113.19848	0.2
121.02878	0.3
123.00801	10.5
123.04446	0.3
124.01590	0.6
125.02373	13.0
126.02699	0.4
127.00301	0.5
127.40572	0.2
136.98746	0.8
137.02400	0.2
139.00294	3.4
140.01091	2.0
141.01889	1.9
145.02934	0.3
149.02283	0.2
150.03163	0.4
151.00320	8.2
151.01532	0.4
151.03908	0.2
153.01898	0.5
154.87903	0.2
163.03937	0.5
165.05440	0.3
167.03461	0.4
168.00615	2.3
169.01393	15.7
170.01730	0.5
177.01933	0.2
177.04030	0.3
179.03433	0.2
181.05011	0.4
188.67032	0.2
189.01891	0.3
195.06558	0.3
202.10861	0.2
209.04482	0.4
209.15404	0.5
211.02470	0.7
219.02951	0.2
223.02565	0.2
271.04626	0.9
274.16940	0.2
289.07071	0.3
299.05719	0.6
306.07794	0.3
313.05737	1.6
341.06683	0.6
425.08945	1.2
435.10892	0.4
523.21960	100.0
524.22302	17.6
524.30829	0.3
586.26556	0.5
587.13751	0.9
587.26935	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23004	0.3
55.01822	0.3
57.03377	1.1
59.01270	1.8
61.98718	5.8
62.48794	0.3
65.00268	1.1
67.01830	0.6
68.99743	0.4
69.03374	0.3
69.38516	1.3
69.38939	1.9
71.01262	2.9
72.99239	0.5
73.02893	0.8
79.01811	0.5
79.28513	0.3
83.01344	1.3
85.02441	0.3
85.02909	1.4
87.00843	0.3
89.02413	0.4
93.03430	0.9
95.01260	1.9
96.95963	0.4
97.02940	1.0
101.02345	2.1
104.20073	0.3
107.01305	4.6
108.01679	0.7
109.02927	0.7
111.00866	1.4
113.02422	0.9
117.03469	0.5
119.04946	3.5
120.05344	1.2
123.00799	12.1
123.04494	0.4
124.01708	0.9
125.02369	24.7
126.02703	4.1
127.00287	0.5
136.98811	1.1
137.02466	0.9
138.33653	0.4
139.00307	3.8
140.01125	2.5
141.01888	1.9
145.02844	1.7
149.02411	0.4
151.00304	14.5
151.03972	0.8
152.00650	2.9
153.01949	0.7
160.69106	0.3
163.03993	0.8
165.01871	1.7
165.05673	0.4
166.02428	0.4
167.03539	0.4
168.00591	3.3
169.01382	27.4
170.01727	4.9
170.03024	0.3
177.02069	0.4
177.04057	0.4
179.03549	0.6
180.04294	0.6
181.05161	0.5
183.73204	0.3
185.06204	0.4
187.03912	0.4
209.04529	0.5
209.15462	0.6
211.02451	2.6
212.02946	0.8
253.03728	0.4
271.04141	0.3
271.06738	2.0
272.06732	2.1
297.04089	0.4
308.02957	0.3
313.05682	7.3
314.06076	5.9
315.05914	1.3
327.99744	0.3
352.78317	0.3
361.16650	0.6
431.85052	0.3
435.12485	0.4
439.08871	2.8
440.09189	5.9
440.14670	0.5
441.09464	0.8
466.07077	0.5
492.08438	0.4
523.21954	100.0
524.22308	15.6
539.23718	0.7
551.24933	1.0
554.11194	0.4
586.12946	20.6
586.24994	0.8
587.13196	3.4
587.27222	0.4
608.87097	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09871	0.2
59.01265	0.8
59.73021	0.2
61.98717	2.4
62.13807	0.2
68.01615	0.2
71.01289	0.4
71.61665	0.3
75.00787	0.2
77.56714	0.2
78.95801	1.2
89.02359	0.3
93.03354	2.5
95.01300	0.4
95.04938	0.4
96.95914	0.8
97.02853	0.2
101.02384	0.2
105.03333	0.3
107.01297	0.6
107.04930	0.2
108.02095	0.4
109.02896	0.6
111.00803	0.3
121.02877	3.7
121.03697	0.4
122.03661	12.5
123.00825	1.1
123.04451	0.5
124.01582	0.6
125.02374	2.6
126.02780	0.3
132.02040	0.4
133.02867	1.1
134.03610	0.4
135.04463	0.5
136.01614	1.2
137.02385	0.8
138.03099	0.2
139.00279	0.4
148.48212	0.2
149.01434	0.2
149.02390	18.0
150.03172	91.8
151.00294	0.4
151.03485	4.0
158.11292	0.2
160.01628	0.7
163.04013	0.3
164.04755	3.1
165.05530	100.0
166.05853	4.9
166.99779	0.6
168.00482	0.2
169.01401	2.3
180.04248	5.8
180.05769	0.4
181.04646	0.3
195.06613	79.5
196.06955	4.5
211.02327	0.3
211.04115	0.2
217.27977	0.2
223.80336	0.2
225.05791	0.3
242.09569	0.7
246.08958	0.3
252.04358	0.2
257.11987	0.4
267.06668	0.2
269.08154	0.2
270.09030	1.7
284.07083	0.4
285.04047	0.5
285.08044	0.4
285.11304	1.8
286.08557	0.6
287.04904	0.3
289.07355	0.3
295.09543	0.2
297.07635	0.3
298.08502	1.3
299.09378	1.6
299.12524	0.3
300.99905	0.4
301.10764	0.5
310.08652	0.4
311.09369	0.7
313.07281	0.2
313.10852	0.6
314.08154	1.5
315.08762	0.3
323.09250	0.3
324.10077	0.6
325.10751	0.7
326.08038	0.5
326.11520	0.4
327.12454	0.5
329.10406	4.8
330.10706	0.6
340.13095	0.4
341.10376	6.1
341.13699	0.3
342.10663	0.7
344.12714	6.4
345.13159	0.5
356.12689	2.5
359.15088	20.6
360.15356	2.0
371.15076	16.4
372.15256	1.7
423.07452	0.6
457.70587	0.2
507.20557	0.7
523.21777	0.3
537.21375	2.3
538.21259	0.6
585.12506	0.3
585.24420	4.6
586.25055	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62320	0.4
59.01263	0.4
61.98717	2.5
65.00160	0.4
71.01268	0.4
78.95789	0.7
88.98699	1.1
93.03371	3.3
95.01286	0.8
95.04942	0.7
105.03401	0.3
109.02860	0.5
121.02876	6.1
122.03664	15.0
123.00831	0.5
123.04446	0.9
125.02391	1.0
132.02086	0.5
133.02881	1.3
133.47192	0.3
135.04446	0.6
136.01573	1.5
137.02347	0.8
148.01651	0.7
149.02388	36.8
150.03172	97.8
151.00293	0.4
151.03459	4.1
154.25720	0.4
160.01642	0.5
163.03964	0.5
164.04747	7.9
165.05527	100.0
166.05862	5.5
169.01398	1.1
179.07149	1.1
180.04251	5.5
195.06610	69.8
196.06967	3.9
201.23592	0.4
226.08366	0.5
242.09450	0.7
245.08276	0.4
246.08940	0.5
250.14664	0.5
257.11862	0.9
270.09021	2.0
283.09772	2.1
284.07013	0.7
285.11267	2.3
295.09671	0.5
297.11246	0.7
298.08569	0.9
299.09305	1.6
299.12988	1.9
301.11038	0.6
311.09363	1.1
313.10941	1.6
314.08090	2.1
324.10199	1.0
325.10901	1.4
326.08020	0.9
326.11676	1.1
327.12466	3.8
328.13217	6.9
329.10327	5.4
329.13647	0.5
330.11090	1.2
341.10382	7.0
341.14020	0.9
342.10748	1.1
343.15634	1.8
344.12729	8.0
345.13449	1.8
356.12704	2.9
357.13608	0.5
359.15082	24.0
360.15363	3.0
371.15085	20.1
372.15161	2.2
389.16266	0.7
461.16119	1.5
463.17603	1.1
491.17245	0.6
492.17868	1.9
507.13361	0.6
507.20389	8.6
508.20667	1.4
519.20361	1.0
522.18970	0.7
537.21429	52.8
538.21777	9.6
569.14319	0.4
585.23438	6.2
586.24524	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	3.4
58.62090	0.8
59.01262	9.5
61.98717	10.8
67.01772	1.2
69.03339	2.6
69.19621	0.8
69.65814	6.3
71.01258	9.3
72.99197	2.1
73.02821	1.3
74.82706	0.8
78.95768	1.3
79.01785	1.8
81.03354	1.7
83.01267	5.2
85.02840	3.7
87.00772	1.4
88.55499	0.9
89.02343	3.8
93.03352	2.4
95.01312	4.6
96.95907	2.2
97.02842	2.4
101.02354	4.3
102.02633	1.0
107.01301	15.8
108.11472	0.8
109.02842	2.6
111.00775	5.1
113.02338	2.8
119.03430	1.0
119.04941	13.9
119.86465	0.9
121.02878	1.2
123.00797	24.4
123.04436	1.7
124.01062	1.0
124.01615	1.7
125.02369	94.0
126.02694	8.5
127.00274	2.4
127.02814	1.1
128.85097	1.0
133.02901	1.2
136.98727	2.3
137.02364	3.3
137.09663	1.0
139.00307	8.0
139.03941	2.4
140.01079	5.3
141.01814	2.7
145.02866	5.0
149.02350	3.2
150.03152	2.1
151.00310	35.5
151.03899	2.5
152.00665	2.4
153.01857	3.5
154.17053	0.8
161.02385	2.8
165.01868	3.3
165.05490	2.4
166.99843	1.7
167.03439	2.3
168.00597	14.6
169.01382	100.0
170.01733	11.9
171.01863	0.9
175.00310	1.8
175.03981	1.5
177.01854	2.1
177.03923	1.7
179.03436	1.3
185.06081	0.9
187.03954	1.6
193.01326	1.1
195.06615	1.6
211.02470	51.3
212.02835	15.9
213.02914	0.9
223.02318	1.0
225.07927	0.8
227.07207	1.0
229.01418	1.4
241.03560	4.2
255.99962	0.9
271.04501	72.6
272.04968	27.3
273.05231	1.9
289.07230	1.6
297.06155	1.4
300.99890	2.5
313.05737	36.8
314.06009	3.5
331.06796	24.3
332.07123	12.2
381.15234	0.8
410.79138	0.8
439.08917	28.3
440.09317	2.6
465.06702	1.4
491.08115	2.4
497.09186	0.9
515.05396	0.9
521.20514	15.8
522.20715	42.7
523.21631	9.1
524.35132	2.0
584.24463	22.3
585.12561	70.0
585.25250	62.0
586.12903	11.3
586.25854	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	584.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29715	0.1
59.01273	0.3
61.98717	100.0
62.98434	0.2
65.81655	0.1
70.53825	0.4
71.01280	0.2
75.00784	0.3
78.95795	0.2
81.10188	0.1
88.98696	0.1
95.71413	0.1
96.95921	0.2
101.02386	0.2
107.01324	0.1
111.00776	0.1
123.00831	0.2
125.02393	0.4
145.02846	0.1
167.91519	0.1
169.01410	0.4
300.99918	0.2
359.28271	0.2
360.28540	0.3
361.28809	0.2
362.28992	0.2
422.32040	0.1
500.38324	0.1
514.33154	0.1
521.20258	0.7
521.33521	0.3
584.26379	0.2
585.29797	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46666	0.6
57.03345	4.0
57.05972	0.5
57.23063	0.6
59.01257	2.1
61.98719	2.7
63.02290	0.8
67.01771	0.6
69.03312	0.8
69.36746	5.2
71.01261	4.4
73.02824	0.7
79.01777	0.6
81.03357	0.6
83.01283	4.2
85.02825	1.3
93.03349	3.2
95.01287	1.2
95.95452	0.5
97.02845	0.7
98.19700	0.9
101.02314	1.3
107.01298	12.4
111.00787	1.9
117.03377	1.3
119.04943	16.5
120.05257	0.9
121.02832	0.8
123.00793	9.6
124.01630	0.8
125.02367	71.2
126.02679	1.8
136.98721	0.7
137.02298	1.7
139.00294	3.2
139.03925	0.6
140.01083	2.4
141.01843	1.3
143.04973	0.8
145.02911	4.3
149.02353	1.1
151.00311	33.3
152.00620	1.2
153.01842	0.8
161.06116	0.6
165.01888	3.3
166.02304	0.6
167.03424	0.8
168.00587	4.3
169.01381	64.5
170.01669	2.0
175.00285	2.0
177.01889	3.3
185.06032	0.9
187.04024	1.5
193.01360	1.3
199.12480	0.6
211.02469	9.3
212.02786	0.7
223.02409	0.7
227.07135	1.3
241.03549	1.5
253.03766	0.9
261.59488	0.5
271.06415	18.7
272.06647	0.9
313.05716	52.7
314.06097	4.2
439.08884	41.7
440.09378	3.8
440.14404	0.7
465.06747	2.8
491.08441	3.4
499.32306	0.7
507.83643	0.6
521.20563	1.2
522.20557	2.3
523.21979	37.1
539.65198	0.7
585.12616	100.0
586.12933	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03355	0.6
59.01262	5.7
61.98721	9.8
65.00260	1.2
67.01823	0.6
68.99758	0.5
69.54586	2.8
69.55005	0.9
71.01274	4.4
72.99221	0.8
73.02863	0.8
75.00795	0.6
78.75307	0.4
79.01829	0.7
83.01336	1.9
85.02889	1.6
89.02394	1.5
93.03395	0.9
95.01326	1.7
96.95935	1.1
97.02897	0.7
99.00816	0.6
101.02384	1.6
107.01299	5.8
109.02900	1.1
111.00807	2.3
113.02416	1.5
119.04954	3.0
123.00817	8.5
123.04437	0.8
123.94848	0.5
124.01640	1.9
125.02370	40.0
126.02772	1.5
127.00333	1.2
135.04480	0.6
136.98787	1.3
137.02362	1.1
137.09676	1.7
139.00291	4.7
139.03954	0.9
140.01109	4.2
141.01913	1.4
145.02937	1.8
149.02446	0.7
150.03148	0.4
151.00322	13.0
151.01517	0.9
151.03969	0.8
152.00797	0.4
153.01842	1.0
161.02420	0.5
163.03891	0.6
165.01910	1.8
165.05446	0.9
166.99895	0.6
167.03461	1.2
168.00601	13.7
169.01387	55.8
170.01744	2.1
174.29543	0.4
175.03976	0.6
177.01935	0.7
177.03973	0.7
185.05998	0.5
188.83298	0.4
211.02478	59.7
212.02814	3.0
217.01433	0.5
234.93420	0.5
241.03558	2.2
247.02399	0.6
269.04651	0.6
271.04611	100.0
272.04980	6.7
300.99878	1.5
313.05679	11.8
321.19745	0.5
331.06787	34.3
332.07083	2.6
415.87479	0.4
439.08911	8.6
465.06506	0.6
491.08426	0.7
521.20410	55.7
522.20789	9.7
523.34607	0.9
524.34729	0.6
534.27728	0.4
583.23956	2.0
584.24530	13.8
585.12122	24.7
585.24878	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	584.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35660	0.5
56.18790	0.5
57.03331	0.8
57.77015	0.5
59.01254	4.2
60.85453	0.5
61.98721	10.4
64.03226	0.5
67.01780	0.6
69.03342	1.2
71.00931	0.5
71.01267	3.3
71.60022	0.7
73.02839	0.7
83.01279	1.1
85.02863	1.1
87.00812	1.0
89.02307	0.6
93.03372	0.7
95.01291	1.9
96.95922	0.8
97.02837	0.9
97.93394	0.5
99.00842	0.6
101.02350	1.7
107.01276	4.0
109.02873	1.1
110.00025	0.6
111.00793	3.3
113.02352	0.8
116.92759	2.5
121.02889	0.7
123.00809	8.7
123.04427	0.5
124.01576	2.3
125.02369	32.7
126.02700	1.0
127.00258	1.2
136.98723	1.5
137.02339	1.4
137.06065	0.6
137.09631	1.7
139.00331	3.5
139.03906	0.5
140.01135	3.4
141.01837	1.2
149.02396	1.0
150.03078	1.1
151.00311	5.0
151.03891	1.2
152.00746	0.5
153.01851	0.6
153.57819	0.6
155.03441	0.6
163.00359	0.8
163.03882	0.6
165.01889	1.5
166.99762	1.3
167.03424	1.7
168.00578	14.0
169.01382	52.6
170.01704	2.3
177.01865	0.8
183.02853	0.8
193.01447	1.0
203.07280	0.6
211.02477	65.0
212.02855	2.8
227.07166	2.3
241.03577	2.7
253.05109	1.6
259.06354	0.7
269.04550	1.6
270.04926	1.8
271.04642	100.0
272.05002	5.7
289.07370	0.7
301.00070	2.0
302.00284	0.9
313.05780	3.8
331.02805	1.3
331.06766	27.0
332.07104	2.0
413.59216	0.5
427.46869	0.7
521.20398	63.8
522.20740	9.8
526.85748	0.5
541.13727	3.9
566.62793	0.7
583.56958	0.8
584.11389	4.9
584.24146	1.7
585.12573	6.9
585.25397	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	2.0
57.03336	1.8
58.00465	0.7
59.01268	16.2
61.98724	1.7
67.09525	0.3
69.03334	0.8
69.50139	0.8
69.50543	2.2
71.01273	18.9
72.99185	2.1
73.02451	0.4
73.02840	6.6
74.60880	0.3
75.00755	1.0
83.00829	0.5
83.01280	5.0
85.02844	9.8
85.99973	1.2
87.00748	2.3
89.02331	4.5
93.03310	0.7
95.01298	2.0
96.95921	1.8
97.02861	0.9
98.19772	0.5
98.95500	0.4
99.00787	2.2
101.02348	18.4
107.01290	0.9
109.02816	0.7
111.00821	1.9
113.01629	0.5
113.02358	6.9
119.03379	1.5
119.04916	0.4
121.02900	0.3
123.00773	2.2
123.04435	0.4
124.01543	0.4
125.02364	7.4
129.01767	0.3
132.02017	0.3
132.75952	0.3
134.87920	0.3
135.04424	0.4
136.98734	0.4
137.02385	2.2
139.00302	0.9
140.01048	0.7
141.01823	0.6
143.03424	0.5
145.02882	0.6
149.02338	0.7
150.03134	1.2
151.00282	1.2
151.04024	2.3
152.04724	0.9
159.02908	0.4
160.01659	0.6
161.02414	0.9
161.04466	1.0
163.03946	2.7
164.00865	0.4
164.04739	1.2
165.05533	1.9
168.00525	0.8
169.01376	6.7
170.01685	0.3
172.58936	0.3
175.03949	0.7
177.04076	0.6
178.06311	1.4
179.03419	1.4
179.05598	0.4
179.07053	0.4
181.05029	13.4
182.05637	1.3
183.06657	0.4
193.08495	0.4
194.05826	1.5
195.06667	0.6
196.07393	22.2
197.08051	2.3
205.16849	0.3
209.08165	2.7
211.02534	1.5
211.09753	32.5
212.10085	1.8
225.07726	0.9
229.39032	0.3
237.07652	0.3
238.08589	0.3
245.00961	0.4
247.02600	0.4
253.10664	0.4
255.02879	0.3
269.04642	0.9
271.04630	1.3
281.10468	0.6
289.07257	0.7
300.99866	1.4
301.06845	0.5
331.11703	0.3
358.12817	5.1
359.12857	0.4
361.13303	0.5
373.15106	100.0
374.15451	10.8
386.94650	0.3
387.16660	1.0
388.52783	0.3
404.80304	0.3
421.13156	0.8
523.34412	0.4
525.19977	0.9
583.24213	34.4
584.24646	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	583.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03767	0.2
57.03330	0.8
58.08039	0.2
59.01269	2.6
61.98716	5.1
63.02292	0.7
65.00208	0.6
67.01784	0.6
68.99718	0.6
69.03337	0.9
69.77122	1.5
71.01273	2.6
72.99195	0.7
73.02841	0.8
74.65002	0.2
75.16758	0.2
78.95804	0.3
79.01788	0.3
81.03362	0.7
82.39108	0.2
83.01275	1.5
83.04913	0.5
85.02834	2.3
87.00788	0.6
88.98696	0.4
89.02351	0.9
91.01799	0.5
93.03340	2.2
93.28139	0.2
95.01274	1.5
95.05003	0.2
96.95905	1.4
97.02858	0.7
98.19784	0.4
99.00754	0.4
99.04409	0.6
101.02351	1.5
104.10126	0.2
107.01293	5.4
108.02109	0.4
109.02891	1.8
111.00786	1.6
113.02344	0.8
117.03354	0.5
119.03406	0.3
119.04915	0.3
121.02860	0.4
123.00813	4.8
123.04436	0.5
124.01654	0.6
125.02367	32.6
126.02711	1.4
127.00312	0.5
127.03949	1.1
130.04161	0.3
131.04922	0.5
133.02870	0.5
135.00800	0.9
135.04456	0.4
136.98750	0.9
137.02364	1.4
139.00311	2.5
139.03929	0.5
140.01079	2.3
141.01869	0.8
143.04987	1.8
145.02887	0.7
149.02432	0.4
150.03172	0.8
151.00325	6.0
151.03915	0.8
153.01883	0.9
154.04138	0.4
155.04951	0.4
157.06505	0.7
159.04474	1.4
161.02394	0.8
161.04529	0.5
163.00284	2.5
163.03943	0.4
164.01086	0.9
165.01900	1.2
165.05522	0.9
166.99776	0.5
167.03497	0.9
167.05020	0.8
168.00597	3.9
169.01376	45.6
169.06516	1.1
170.01701	1.8
171.04471	1.2
173.02409	0.4
173.06026	0.6
175.03952	0.4
177.01950	0.4
179.03505	1.0
183.04596	0.3
184.05411	0.3
185.06078	2.9
187.03967	3.4
189.05460	1.4
195.04555	0.6
195.06612	0.8
196.05142	0.3
197.06068	1.1
198.03093	0.3
199.03961	1.2
199.07391	0.2
201.05576	0.7
209.04526	1.4
209.11748	0.3
211.02209	1.3
211.04196	1.6
212.04568	0.3
213.05560	2.8
214.02747	0.6
227.03505	3.0
228.03946	0.4
229.05066	12.6
230.05388	1.1
237.04143	0.3
239.03539	1.7
240.04338	0.8
241.05132	1.3
243.03151	0.5
255.03027	2.8
256.03732	1.5
257.04584	6.7
258.05023	0.5
258.14597	0.3
267.03107	0.7
269.04669	0.4
271.04611	1.6
284.03354	3.3
285.04108	100.0
286.04465	9.0
287.22342	0.6
297.06213	21.3
298.06528	1.8
300.02667	0.3
300.99905	0.4
313.05719	1.7
313.47403	0.3
359.15240	0.3
385.13150	0.6
421.18658	0.5
431.26605	1.1
449.27750	2.4
506.64462	0.3
507.13840	0.3
523.35034	2.4
583.11060	47.5
583.23737	6.2
584.11304	8.8
584.24957	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08601	0.4
59.01264	23.2
59.66741	0.4
61.98701	0.6
63.20205	0.5
76.89774	0.4
78.15331	0.4
78.95795	20.3
80.03090	0.4
97.33203	0.4
98.19748	1.0
103.15415	0.4
104.15362	0.4
122.98373	0.4
124.09677	0.4
152.99501	3.2
168.04272	2.4
224.06935	8.1
236.77155	0.5
242.08022	1.9
283.26483	100.0
284.26834	10.2
496.13467	0.5
508.34186	77.6
509.27390	0.9
509.34543	11.8
541.64746	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03367	0.2
59.01271	1.5
61.98717	100.0
67.01784	0.2
69.31366	1.1
69.31787	0.7
71.01274	1.0
71.25624	0.2
72.99226	0.3
75.00751	0.4
85.02840	0.4
89.02346	0.5
96.95923	0.3
100.76871	0.2
101.02377	0.7
104.56827	0.2
109.02897	0.2
111.00752	0.2
112.16419	0.2
113.02425	0.3
123.00772	0.4
123.04429	0.2
125.02382	1.0
128.92744	0.2
137.02382	0.2
139.00346	0.2
145.02899	0.4
151.40485	0.2
165.05511	0.2
165.64929	0.2
166.99930	0.2
169.01414	1.1
210.80046	0.2
211.02525	0.2
215.03799	0.2
271.04794	0.5
296.01727	0.2
327.25601	0.6
339.25656	0.7
357.26602	1.9
359.27982	1.1
360.28482	2.2
406.50751	0.2
415.16342	0.4
434.54474	0.2
489.30798	0.4
501.30615	0.2
503.72964	0.2
519.31860	15.9
520.32111	2.1
582.26849	0.6
583.25958	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	0.8
63.96127	1.1
64.83466	0.7
71.01270	8.0
71.56880	0.9
72.99178	0.6
73.02830	1.1
78.95818	0.7
78.98476	6.7
79.95634	9.0
80.96411	69.3
81.03349	0.7
85.02840	2.9
87.00759	2.5
88.92093	0.6
94.97990	14.0
96.95891	1.6
97.02866	1.5
101.02340	2.5
106.97982	2.9
122.97492	5.2
125.02370	2.8
134.97522	4.2
136.99060	1.6
148.99062	6.5
152.98561	7.9
156.81377	0.7
164.98593	11.2
173.17143	0.7
182.99637	2.7
184.12802	0.6
206.99706	3.5
225.00726	19.9
226.00943	0.8
243.01746	2.0
281.24817	3.4
281.97604	0.7
299.04437	3.5
393.26764	0.7
581.30127	100.0
582.30505	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	581.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.5
59.01266	6.2
59.88075	0.2
61.98716	2.0
69.03333	0.2
69.32909	2.6
71.01270	1.2
72.99197	0.3
73.02842	0.3
78.95792	0.3
85.02847	0.4
89.02331	0.6
93.03354	0.8
95.01265	0.3
101.02350	0.5
109.02876	0.6
113.02345	1.0
119.04932	0.3
122.03583	0.2
123.04447	1.4
125.02374	0.9
127.11239	0.3
145.02898	0.4
146.83136	0.2
149.02434	0.4
150.03159	0.9
151.03937	0.6
165.05531	1.1
169.01349	0.6
179.05508	0.4
179.17795	0.3
189.01859	0.3
195.06587	0.5
211.02458	0.3
243.02841	0.3
264.69244	0.2
271.04565	0.4
307.06165	0.3
309.08279	0.2
309.24524	0.4
311.26013	0.9
313.23950	4.5
314.24081	0.4
323.05774	0.5
325.23749	0.2
333.07709	0.5
341.06705	0.8
341.27094	2.3
355.08206	0.4
357.26486	0.6
359.28091	100.0
360.28439	11.8
363.05191	0.7
370.10675	0.3
373.29605	1.0
385.12927	0.6
393.06186	0.8
394.06641	0.3
401.29163	0.7
435.10773	0.3
487.10455	4.2
488.10898	1.1
517.72443	0.2
563.21362	0.4
581.14392	2.6
581.22919	0.4
582.14923	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	1.0
61.98720	100.0
62.98428	0.2
70.92714	0.2
71.01286	0.3
71.10755	0.1
72.13264	0.1
72.99186	0.1
75.00765	1.5
85.02856	0.1
88.98695	0.1
89.02301	0.2
96.95921	0.3
101.02355	0.3
101.84687	0.1
109.02851	0.1
116.33108	0.1
123.00793	0.2
123.04441	0.2
125.02401	0.7
137.02408	0.1
139.00356	0.1
145.02934	0.2
150.03195	0.2
151.00377	0.2
151.03879	0.1
163.04059	0.1
169.01366	0.8
211.02502	0.2
217.01505	0.1
222.40988	0.1
306.66696	0.1
310.76144	0.1
319.92984	0.1
326.19037	0.1
339.25180	0.1
357.26721	0.3
358.27130	0.1
359.28018	0.1
360.28098	0.2
385.26099	0.2
481.79767	0.1
519.31854	1.5
520.32153	0.3
582.19635	0.2
582.27057	0.3
583.27905	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28431	0.2
55.01746	0.3
57.03342	2.0
58.00479	0.3
59.00990	0.5
59.01267	6.8
61.98717	1.1
69.03334	0.2
69.38728	0.7
69.39131	2.1
71.01273	5.3
72.99203	0.6
73.02846	0.6
75.93544	0.3
78.95808	0.3
83.01281	0.8
85.02864	1.6
87.00782	0.6
89.02334	2.6
89.03870	0.4
92.68980	0.2
93.03361	0.4
95.01291	1.0
95.04898	0.2
96.95920	5.5
97.02883	0.6
99.00799	0.7
101.02354	2.7
105.03379	0.4
107.01306	0.8
109.02851	0.7
109.17749	0.3
109.95450	0.3
111.00785	0.6
113.02353	2.0
117.03368	1.7
119.03399	0.9
119.04935	0.9
121.02860	0.7
123.00813	0.9
123.04438	0.9
125.02380	4.8
126.02683	0.3
130.17281	0.3
132.02098	12.2
133.02916	2.8
134.03671	21.2
135.04391	1.4
136.98851	0.4
137.02333	1.8
139.00290	0.8
139.03944	0.6
145.02904	1.6
147.04445	1.2
148.05264	0.8
149.02434	0.4
149.06032	3.6
150.03165	0.5
151.00372	0.5
151.03967	1.4
156.97279	0.2
158.03732	0.4
160.01614	65.8
161.02014	3.4
161.04504	0.4
161.05925	0.4
162.03157	0.3
163.00285	0.8
163.03969	0.7
163.07626	0.3
164.01160	0.4
165.01880	0.9
166.99785	0.3
168.00629	0.7
169.01392	4.4
170.01805	0.3
173.06001	0.8
175.03972	70.7
176.01030	0.3
176.04530	5.8
177.01874	1.6
177.05428	0.8
178.02695	1.3
179.03453	1.3
181.05115	0.3
189.01988	0.5
189.05519	0.3
190.02553	0.3
191.05627	0.3
191.07097	7.5
192.04285	0.4
192.07457	0.4
193.05045	24.7
194.05405	1.4
202.02814	0.2
203.03419	0.3
206.08098	0.3
207.06570	2.0
211.02455	0.8
217.05092	0.4
220.03819	0.5
221.04562	0.7
229.04996	0.3
231.02995	0.3
235.06142	12.0
236.06508	0.8
265.07224	1.7
271.04590	0.9
273.07764	1.0
274.05066	0.3
275.02155	0.7
281.06821	0.3
289.07169	0.6
295.08218	2.2
300.99911	1.6
302.00409	0.3
313.05798	0.5
317.24512	0.2
322.07819	0.2
359.28241	0.4
376.04657	0.3
407.07346	0.3
419.11295	0.3
420.03793	0.3
439.09424	0.4
494.09521	0.3
500.09824	0.5
521.26050	0.4
521.33307	2.2
522.33551	0.3
566.24274	0.3
581.26196	100.0
582.26483	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01598	1.3
60.99190	2.7
66.05827	0.4
69.63182	1.7
69.63592	1.3
71.01273	1.3
85.02828	0.5
88.98699	22.3
109.02859	0.7
113.02377	0.4
116.92776	0.9
121.02868	1.2
123.00813	0.6
123.04445	0.5
125.02359	2.6
135.04378	0.6
137.02365	2.4
139.00299	0.9
145.02907	1.4
147.04454	1.5
151.00298	0.7
151.03960	3.4
152.04720	0.6
153.01927	0.8
158.28055	0.4
161.02403	0.6
161.04521	0.7
162.03180	0.9
163.03951	3.6
165.01917	1.2
166.06357	0.7
167.03381	0.6
169.01375	2.6
173.02402	0.6
174.03166	2.1
175.03964	9.8
176.04691	2.5
177.05521	1.1
179.03409	1.4
180.04260	6.8
188.04729	2.4
189.05542	4.7
190.06334	14.1
191.03494	0.5
191.07117	9.7
192.04222	0.7
193.05037	6.4
194.05841	5.9
195.06546	0.4
203.07161	1.9
205.08691	14.0
206.09048	0.6
207.06606	4.2
208.07407	7.8
209.07779	0.8
222.08926	1.1
223.06235	0.5
223.09769	0.8
240.04260	0.6
255.10350	0.8
269.08273	8.0
270.08588	0.9
281.08368	0.5
283.09808	2.8
296.10577	0.6
297.97433	0.4
299.09344	5.5
300.09949	0.7
301.00027	0.6
311.09338	8.8
312.09592	0.9
314.11694	13.2
315.11972	1.2
325.10974	1.5
326.11646	8.4
327.12274	0.8
329.14017	46.3
330.14316	4.3
341.14023	26.5
342.14383	2.5
359.11389	0.8
359.15262	1.1
374.13608	2.7
375.14090	0.4
389.16162	74.3
390.16510	8.3
408.79950	0.4
419.17133	4.2
420.17719	0.7
429.13928	0.7
491.07947	0.6
581.14990	2.4
581.22900	1.0
582.15131	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.7
57.03330	4.1
58.00477	3.9
59.01265	97.9
61.98703	2.3
71.01270	76.5
71.61220	2.6
71.61589	1.6
72.99197	7.2
73.02837	3.8
83.01287	3.1
85.02855	11.7
85.87193	1.5
87.00773	7.2
89.02340	100.0
95.01292	6.7
96.95915	11.8
101.02346	41.5
109.02856	3.8
113.02361	29.7
116.92747	1.9
119.03420	47.4
123.00805	5.3
123.04409	3.3
125.02364	22.6
131.03391	5.4
137.02347	4.8
138.03214	1.6
139.00302	1.8
139.04018	1.7
143.03409	7.3
149.04430	5.6
151.00311	3.9
151.03954	8.0
161.02451	4.0
161.04492	8.0
163.03943	2.4
166.02673	5.7
167.03423	2.7
168.00690	2.1
169.01361	13.4
170.01677	2.2
174.03090	3.2
175.03951	8.0
177.05556	4.2
179.03465	1.7
179.03979	2.2
179.05559	20.8
179.99168	1.6
181.05008	13.6
187.03966	7.0
188.04764	3.3
189.05467	3.2
190.06281	2.6
191.03519	2.2
191.05569	3.0
191.07193	3.5
201.01923	1.5
202.06345	2.7
203.07210	3.4
205.05006	9.1
205.08708	2.6
211.02507	2.9
219.06612	3.0
220.07462	5.6
235.09750	5.4
289.07095	3.1
292.47919	2.2
300.99747	5.8
305.15402	1.6
309.61090	1.6
310.00378	1.6
313.11026	2.5
321.62491	1.7
325.07117	1.8
329.14005	5.7
341.06665	1.7
341.10187	8.6
356.12665	3.2
371.15121	4.3
389.16141	11.8
390.16336	2.2
401.16141	49.8
402.16348	8.3
419.17471	8.6
521.25873	2.6
543.84070	2.1
581.14655	5.1
581.23529	9.3
582.23004	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2253
Annotation	Alangilignoside C
Peak:m/z	Relative Intensity
54.96251	0.4
55.01775	2.7
57.03310	1.1
58.00484	2.2
59.01267	33.9
64.35947	0.5
67.76468	0.4
68.99706	0.5
71.01272	21.8
72.01585	0.5
72.99199	2.3
73.02847	3.6
75.00756	0.5
83.01278	5.3
85.02843	6.7
85.99975	1.3
87.00772	2.2
89.02344	13.7
95.01303	2.4
98.19745	0.8
99.00759	2.9
101.01701	0.8
101.02351	15.5
111.00795	0.6
113.02367	7.2
115.03934	2.4
119.03418	6.2
123.00809	8.5
124.01614	2.1
125.02386	2.1
131.39769	0.4
137.02351	0.7
138.03162	18.0
139.03984	2.2
140.93001	0.4
143.03429	2.1
153.05515	13.1
154.05811	0.5
159.03035	0.6
159.04416	0.9
161.04530	0.6
169.01373	0.7
174.03212	0.7
175.03940	1.2
178.00821	0.5
179.05562	1.5
186.03258	0.8
187.03990	2.7
188.04720	1.4
189.05553	1.2
191.03424	0.4
191.05394	0.5
201.05652	0.6
202.06377	3.6
203.07115	3.0
205.05101	0.7
206.05862	0.7
217.05139	0.6
218.05888	0.7
219.06619	0.7
220.07422	0.7
221.08197	2.2
232.07614	0.6
233.08191	9.4
234.05237	0.5
247.09790	0.6
250.08566	0.8
293.04550	0.8
294.05386	0.7
298.05237	0.5
300.06137	0.5
301.00037	0.6
301.07007	0.6
311.05627	1.0
312.06525	0.7
313.07434	2.1
313.10489	0.5
315.08774	0.7
317.10400	0.6
325.07346	2.3
326.08038	1.1
327.08844	2.6
328.09427	1.1
329.10217	1.0
339.08942	0.6
340.09500	1.7
341.06610	1.2
341.10379	2.9
342.11188	0.6
343.08142	1.1
343.11856	1.3
344.09088	2.9
355.11896	3.6
356.09003	1.5
356.12805	0.7
357.09579	0.7
358.10587	5.4
359.11407	9.7
360.11713	0.8
371.11377	8.4
372.11798	1.0
373.13000	15.0
374.13300	1.5
386.13770	3.9
387.14514	0.7
389.12537	5.3
390.13000	1.4
401.16171	5.0
404.14844	8.7
405.15567	3.8
419.17221	32.6
420.17441	3.6
521.20569	0.8
566.20221	3.7
581.22510	100.0
582.22845	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	580.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37887	0.3
59.01265	15.3
60.01609	0.4
61.98713	3.3
62.11903	0.3
71.57232	0.5
78.95792	5.4
96.95923	0.7
111.34389	0.3
124.43868	0.4
152.99518	1.4
168.04257	1.2
217.94833	0.3
224.06966	0.4
242.07982	2.9
245.66998	0.5
261.79514	0.4
281.24924	100.0
282.25281	8.6
506.32651	36.2
507.33105	5.4
580.19324	0.4
580.28876	0.7
581.17566	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	5.8
61.98719	100.0
62.98433	0.7
63.85294	0.5
69.54672	2.8
69.55083	0.9
71.01270	3.3
72.99200	3.5
73.02853	0.7
75.00766	47.2
85.02862	1.8
88.98698	1.4
89.02357	1.8
93.03362	5.2
96.95921	1.2
96.96872	0.5
99.00809	0.6
101.02386	2.3
107.01269	0.5
109.02868	7.3
111.00780	0.5
113.02373	1.7
117.03365	4.0
119.03461	0.7
119.04964	4.0
121.02858	1.1
123.00803	2.5
123.04443	7.0
124.01698	0.6
125.02382	4.4
133.02898	1.5
136.98756	0.5
137.02365	0.8
139.00273	0.5
145.02908	11.3
147.04494	1.7
149.02354	0.9
150.03181	0.7
151.00345	1.3
151.03961	3.7
159.04504	0.8
161.02412	1.8
162.03209	0.7
163.00255	0.6
163.03966	0.8
165.01897	0.5
168.00604	0.6
169.01350	3.8
175.45787	0.5
177.01901	17.8
178.02205	0.7
187.03992	1.1
189.01900	23.6
190.02660	4.7
191.03490	5.1
201.01982	1.0
203.03517	3.2
203.07062	0.7
205.04944	0.6
216.00638	3.6
217.01418	20.5
218.01984	1.9
219.02983	7.6
225.05698	0.5
229.05049	1.0
231.02977	5.2
232.03598	0.8
239.03716	0.6
241.05115	4.2
253.08820	1.1
269.04703	3.1
269.08353	1.3
271.06296	4.3
281.04651	1.6
282.05130	0.7
283.06195	6.6
289.07349	1.6
297.07785	1.2
311.05688	22.2
312.06143	2.2
321.63586	0.5
323.05682	6.8
324.05869	0.8
341.06735	35.8
342.07144	3.6
357.26660	1.2
358.26935	1.2
359.28207	1.6
383.24603	3.5
417.09991	4.1
418.10178	0.7
431.11584	1.9
435.10931	53.5
436.11301	7.6
443.11331	1.1
461.09393	0.7
487.10544	1.6
519.31879	5.2
521.33740	0.9
581.16522	1.3
581.26025	9.8
582.26935	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92857	0.3
55.86173	0.3
57.03332	1.3
59.01268	15.4
60.01603	0.4
61.98422	0.5
61.98720	7.2
61.99041	0.5
69.03358	0.5
69.61940	1.3
69.62366	1.4
71.01276	3.2
72.99201	0.6
73.02833	0.8
75.00745	0.7
78.95806	0.4
83.01296	0.4
85.02833	1.4
89.02333	1.9
93.07010	0.3
95.01282	0.6
96.95919	0.6
97.02814	0.4
97.06474	0.5
101.02344	1.7
104.02588	0.4
113.02335	1.7
119.03388	0.6
121.90784	0.3
123.00805	0.9
123.04431	0.4
125.02355	2.5
125.09682	0.4
139.00357	0.6
139.07617	0.5
139.11220	0.8
140.70764	0.4
145.02904	0.6
148.01540	0.4
151.00375	0.5
155.10733	1.4
157.08667	0.6
161.02393	0.6
161.04556	0.7
167.23611	0.3
168.00621	0.4
169.01363	1.8
175.03879	0.4
176.01114	1.1
177.01883	2.7
185.11813	0.4
194.05685	0.3
199.13374	0.4
209.04926	0.4
209.08188	1.2
227.16495	1.5
255.98717	0.7
307.23099	0.4
309.24277	0.8
311.22440	3.1
327.25592	1.7
339.25522	2.2
341.27045	4.5
342.27307	0.6
357.26541	100.0
358.26859	11.7
399.27527	0.4
403.14047	0.9
471.05392	0.6
519.31976	18.3
520.32361	2.9
579.25848	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.8
60.01603	0.3
61.98718	100.0
63.62008	0.2
69.35766	0.8
69.36195	0.5
78.95801	1.0
85.02868	0.1
140.55270	0.1
152.99574	0.5
153.58408	0.1
166.31422	0.2
170.04771	0.1
225.60808	0.1
277.21783	4.1
278.22125	4.4
279.22467	2.7
280.22693	1.3
502.29568	1.2
503.29800	0.7
504.30167	1.5
505.30478	2.2
506.31155	0.2
507.15039	0.2
542.09650	0.2
579.16943	0.2
579.31097	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.6
59.00987	0.6
59.01268	9.0
61.98718	14.1
71.01270	2.9
71.58813	0.6
72.99194	4.5
73.02835	1.0
75.00751	1.1
76.79897	0.5
78.95779	1.0
83.01260	0.6
85.02829	1.2
89.02346	2.0
93.03368	0.5
96.95916	1.3
99.12598	0.4
101.02354	1.8
107.01238	0.6
109.02832	0.8
113.02357	1.6
115.86701	0.4
119.03403	0.6
119.04965	0.5
123.00794	1.2
125.02392	4.2
136.98930	0.4
137.02370	1.0
141.12752	0.7
143.23775	0.4
145.02917	0.8
151.00296	1.3
161.02466	0.7
161.04434	0.8
165.01883	0.4
168.00639	0.7
169.01385	3.3
176.01169	0.5
177.01930	1.1
185.11798	2.1
199.13469	0.6
203.61150	0.5
209.08160	0.6
222.33380	0.6
267.10956	0.4
271.06119	0.5
289.07333	0.6
297.24414	1.3
300.78653	0.5
300.99829	0.6
309.24173	0.7
311.25784	0.6
325.23898	0.8
327.25467	10.2
328.25815	1.5
339.25464	4.6
340.25711	1.1
357.26538	100.0
358.26883	11.9
459.29697	0.8
519.32269	2.6
543.31641	0.6
579.16791	1.7
579.25494	4.3
580.26068	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48906	4.8
53.91959	4.2
59.01265	53.3
61.98721	100.0
68.39955	4.4
71.01276	20.6
73.02853	8.3
75.00766	17.1
78.95796	39.6
85.02845	10.8
89.02354	8.9
93.03333	5.7
96.95924	9.5
98.19800	9.5
101.02348	22.3
107.01309	6.2
113.02368	13.3
119.04932	5.4
125.02348	8.1
140.01060	5.5
151.00320	12.8
155.96234	5.4
159.03072	6.1
161.04495	10.1
161.05913	4.4
171.00620	7.9
187.98077	5.2
519.28143	31.3
529.75049	5.3
564.45209	5.9
579.38000	8.0
582.42737	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	579.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02307	0.4
59.01274	1.2
61.37550	0.4
63.02292	0.5
65.00208	0.6
65.56699	0.4
67.81760	0.4
69.38629	3.3
69.39032	1.0
71.01270	1.7
75.16842	0.5
85.02825	0.9
101.02377	0.8
107.01299	1.5
109.02860	1.6
111.00792	0.5
113.02397	0.6
117.03358	0.7
119.04962	1.0
121.02905	0.5
123.00775	1.3
125.02364	1.9
137.02368	7.5
139.00287	0.6
145.02927	0.7
149.02397	1.5
149.06116	0.5
151.00301	17.1
151.03946	1.2
152.00854	1.1
152.04724	2.6
154.02664	0.5
159.04408	0.8
161.04483	0.5
163.04002	0.5
165.01823	0.5
166.02670	51.4
167.03209	2.7
169.01416	0.8
175.03957	1.3
177.01863	2.4
178.02534	0.6
181.05026	74.2
182.05339	4.1
184.03749	1.1
190.02580	0.5
190.06329	0.9
191.03496	0.9
192.04254	0.8
193.04962	0.6
198.20451	0.5
205.04976	0.6
205.08670	1.3
207.06660	0.8
209.04471	0.5
223.15427	0.4
240.04140	0.8
268.03812	6.3
269.04547	30.2
270.04880	24.7
271.05127	21.7
272.05389	1.5
316.09494	0.5
359.11307	1.4
364.89728	0.4
387.10931	13.4
387.15631	0.8
388.11349	1.5
402.13333	7.5
403.13751	0.8
417.15625	100.0
418.15994	13.7
579.16388	39.0
580.16943	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	578.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87541	0.1
55.29052	0.1
58.14015	0.1
59.01265	17.7
60.01596	0.2
61.98723	0.2
71.01272	0.2
71.61491	0.1
78.95797	5.8
78.98491	0.1
79.95643	0.2
80.96404	1.1
82.95990	0.2
83.94772	0.1
92.27993	0.1
94.97986	0.1
96.96853	0.2
106.98007	0.1
125.02316	0.2
128.98059	0.1
152.99518	1.2
164.98616	0.2
168.04262	1.4
183.11105	0.1
224.06924	0.9
225.00813	0.2
242.07996	3.1
242.10406	0.2
261.22244	0.2
263.16321	0.1
279.23343	100.0
280.23694	10.2
297.42841	0.1
309.74393	0.1
366.75607	0.1
367.22781	0.1
504.31079	36.2
505.31424	5.2
578.27234	1.7
578.35236	0.1
579.27106	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	23.9
61.98717	2.5
62.96311	0.3
63.99144	0.2
70.85161	0.5
71.38476	0.2
75.63941	0.1
78.95795	21.6
80.42953	0.2
80.96365	0.2
83.92464	0.2
96.96860	0.4
117.53971	0.1
119.05012	0.2
119.71598	0.2
122.98430	0.5
126.37080	0.2
139.64871	0.1
151.00325	0.4
152.99516	3.6
153.84203	0.2
156.07430	0.2
168.04272	3.8
192.44554	0.2
205.62206	0.2
224.06946	9.0
225.07237	0.5
242.07999	2.5
261.22308	0.5
271.06317	0.4
279.23349	100.0
280.23700	10.3
459.39056	0.2
469.44650	0.2
504.31082	71.0
505.31442	10.7
519.27106	0.3
523.49164	0.2
579.17645	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.7
55.07720	0.5
57.03339	10.7
58.00482	0.6
59.01265	30.3
60.01607	0.6
61.98720	8.4
69.03336	1.2
71.01268	13.2
72.99197	1.8
73.02835	4.9
75.00765	1.6
78.95800	0.7
81.02959	0.5
81.03330	2.5
83.01274	7.4
85.02847	6.2
87.00779	1.2
89.02340	7.4
93.03362	0.7
95.01282	1.4
95.04944	1.2
96.95921	2.2
97.02853	2.8
98.03661	0.8
99.00784	1.3
101.02353	14.1
101.03021	1.0
102.02696	0.5
103.03933	1.3
105.03339	0.6
107.01281	0.7
107.05006	0.5
109.02867	7.6
111.00803	1.4
113.02336	6.0
115.03876	0.4
116.96513	0.5
117.03381	1.2
119.03405	3.2
119.04970	0.6
121.02892	0.8
123.00816	1.0
123.04418	3.9
125.02369	100.0
126.02699	4.2
128.03433	0.7
131.03462	0.8
135.04445	1.7
137.02377	28.5
138.02711	1.2
139.03940	1.7
141.01659	0.7
143.03458	1.7
143.04681	0.5
143.10710	5.7
145.02890	26.5
146.03706	2.7
149.02377	11.7
150.03130	1.8
151.03957	2.9
159.03091	0.8
159.04408	5.3
161.02455	2.7
161.04520	3.1
161.06041	6.9
163.03970	1.5
163.06055	2.8
163.07306	0.5
164.01131	1.1
165.00362	0.5
165.01898	1.9
167.03477	1.3
167.04901	0.5
168.00600	0.7
169.00160	0.5
169.01363	3.1
175.03963	1.2
175.70514	0.4
177.01881	0.9
177.05617	0.5
179.03476	1.9
179.05605	0.6
181.06512	0.6
181.12265	0.7
183.04503	1.4
184.05148	1.1
185.06059	5.6
187.03967	5.8
188.04585	0.8
191.03436	0.9
197.15410	0.9
199.07693	0.7
200.86806	0.5
201.05531	1.5
202.06285	0.9
203.03621	0.5
203.07143	6.8
205.04982	2.0
205.07100	1.3
209.06039	1.4
211.04082	1.0
225.05492	0.8
226.06183	0.5
227.03555	0.7
227.07141	3.8
229.05145	1.7
230.02235	0.6
235.13629	0.5
245.08270	4.3
246.08481	0.6
249.14966	0.5
253.05138	5.8
254.05421	0.9
256.03839	1.0
265.14545	5.6
266.14810	0.8
268.03839	0.7
269.04681	2.9
270.05212	1.0
271.06180	89.8
272.06558	8.1
277.14554	1.1
289.07233	29.5
290.07529	2.2
295.06210	1.3
300.99957	1.5
313.07315	0.5
355.25003	3.2
371.21027	6.8
372.21274	0.8
398.26999	0.6
407.07846	0.9
409.09900	0.5
415.17725	14.6
416.18301	2.4
433.11456	4.1
434.11633	1.0
451.11642	0.8
505.33710	0.8
515.24493	0.6
517.26300	38.7
518.26611	6.7
541.21710	0.5
577.15369	1.6
577.22186	2.3
578.23340	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	1.0
58.79209	0.8
59.00991	1.6
59.01267	22.4
61.98709	3.0
71.01263	7.5
71.58762	1.0
73.02838	1.8
75.40105	0.8
78.95789	7.3
78.98481	6.1
79.95631	8.3
80.96409	67.8
85.02871	3.0
87.00773	2.6
87.68092	0.9
94.97986	15.6
95.01284	1.4
96.95891	1.8
97.02837	1.7
101.02324	1.9
101.70789	0.9
106.97977	2.9
122.97510	2.8
125.02371	7.5
134.97542	5.2
136.98999	1.5
148.99065	5.7
152.98512	4.3
152.99608	1.4
164.98576	12.1
168.04253	1.7
195.24454	0.9
206.99654	2.6
224.06943	1.0
225.00743	15.9
241.07651	0.8
242.08051	2.4
269.04611	2.2
277.21866	1.8
279.23349	100.0
289.07346	1.8
299.04510	1.9
315.77185	1.0
422.53439	1.0
504.31104	34.0
577.27014	93.8
578.27393	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64997	0.7
57.03342	11.1
58.00497	0.6
59.01268	25.1
61.98713	10.6
63.16043	0.6
65.00233	0.6
65.12888	0.6
68.23414	0.5
70.65447	0.5
71.01276	12.3
71.04913	0.5
71.56557	1.0
72.99186	1.5
73.02847	3.4
75.00766	1.8
78.95824	0.7
81.03347	2.0
83.01278	8.2
85.02841	4.3
85.77303	0.5
87.00788	1.5
88.98725	0.9
89.02338	7.5
93.03363	1.9
95.01284	1.3
95.04932	1.6
96.04382	0.6
96.95921	2.8
97.02865	2.3
98.03696	0.6
99.00756	0.8
101.02359	9.4
103.03901	1.2
107.01298	1.2
109.02863	8.6
109.46584	0.6
111.00793	1.5
111.86708	0.6
113.02356	5.4
117.03374	1.3
118.34382	0.6
119.03424	2.5
121.02895	2.3
122.03709	0.7
123.00775	1.9
123.04455	4.2
125.02374	100.0
126.02704	4.0
133.02893	1.3
135.04454	1.9
137.02379	30.3
138.02742	0.7
139.00339	0.7
139.03958	1.8
141.01768	0.9
143.03439	1.0
143.10718	6.2
145.02896	25.2
146.03622	2.5
149.02393	11.7
150.03174	1.3
151.00275	1.1
151.03947	3.2
157.06558	0.9
159.03232	0.9
159.04437	5.2
160.05342	0.6
161.02438	3.2
161.04539	2.0
161.06046	5.3
162.03232	0.8
163.00249	0.9
163.06107	2.1
164.01167	1.1
165.01880	3.0
167.03511	1.4
167.04893	0.7
169.01405	7.2
175.03978	1.4
177.01910	1.5
179.03471	2.0
183.04504	1.0
184.05309	0.6
185.05995	4.9
187.03993	5.7
188.04811	0.8
191.03429	0.7
197.15483	1.2
201.05557	1.4
202.06241	0.8
203.07126	6.6
205.05095	1.9
205.07104	1.0
209.06148	0.7
211.02307	0.8
212.04689	0.9
221.08308	0.8
225.05632	1.0
227.07141	3.6
229.05063	1.5
235.13397	0.8
243.02826	0.6
245.08250	5.2
253.05142	6.9
256.03860	0.7
265.14468	5.7
268.03647	0.9
269.04605	2.4
271.06189	91.8
272.06519	8.1
277.14395	1.1
289.07257	34.3
290.07791	2.9
295.06274	1.4
300.99936	2.4
302.00262	0.7
341.06525	0.6
341.23230	1.7
355.24951	4.0
371.21106	5.5
407.07932	4.7
415.17709	15.9
415.23172	1.1
416.17966	2.1
425.09210	0.9
433.11459	4.2
434.12051	1.0
451.11285	1.1
505.34064	0.8
517.25940	24.8
518.27301	3.0
577.14966	2.1
577.23370	4.0
578.15631	0.9
578.23535	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03352	0.5
57.73742	0.1
59.01266	1.5
63.02275	1.2
64.99943	0.1
65.00248	0.5
69.57492	0.9
71.01275	1.2
72.99210	0.1
83.01328	0.3
85.02849	0.3
87.00803	0.3
89.02345	1.1
93.03399	0.4
95.01305	0.2
96.95944	0.5
97.02877	0.2
99.00790	0.3
101.02338	0.6
104.04957	0.1
105.03390	0.1
107.01303	1.3
109.02852	0.7
111.00829	0.2
113.02370	0.4
117.03382	2.1
117.04185	0.1
119.03433	0.3
121.02899	0.3
123.00826	0.4
123.04462	0.4
124.01613	0.2
125.02373	3.7
126.02718	0.3
133.02910	0.2
135.04466	0.2
137.02373	1.0
139.00340	0.3
141.01985	0.1
148.03990	0.3
149.02374	1.0
151.00316	1.0
151.03966	0.5
155.04982	0.2
159.04463	1.1
161.02403	1.4
163.00362	0.2
163.04022	0.2
164.01118	0.1
165.01874	0.4
166.05074	0.5
169.01369	1.2
169.06589	0.4
170.01735	0.1
175.03958	0.4
177.01981	0.3
178.73160	0.1
179.03568	0.1
179.05611	0.2
180.05914	0.2
181.06541	0.4
183.04445	0.7
190.99738	0.1
196.05295	0.4
197.06126	0.6
199.03966	0.3
201.05545	0.7
203.03511	0.3
203.07129	0.3
205.05074	0.2
210.03984	0.3
213.05544	0.3
224.04791	0.3
225.05569	0.9
227.03476	0.4
227.07112	0.2
239.03479	0.3
240.04306	0.3
241.05313	0.1
243.03064	0.2
245.08322	0.2
253.05191	0.2
255.03166	0.3
258.02054	0.1
267.03113	0.2
268.03848	3.4
269.04614	100.0
270.04953	8.4
287.05734	0.4
289.07208	1.2
300.27286	0.2
300.99954	0.5
305.06842	0.4
311.05569	0.4
407.07806	0.9
408.07813	0.2
415.16168	0.3
415.23132	0.2
418.97998	0.1
421.11310	0.1
423.07205	0.1
425.08969	0.3
451.10645	0.3
539.21344	0.9
540.21442	0.2
541.13904	0.2
541.22162	0.2
577.06635	0.2
577.15466	4.3
577.28577	1.0
578.14905	0.6
578.23114	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1574
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
52.62170	0.1
59.01258	0.4
63.02277	1.4
65.00196	0.9
65.34206	0.1
70.95393	0.1
70.95713	0.1
71.01241	0.1
76.95902	0.1
81.03339	0.1
83.01273	0.4
84.78110	0.1
85.02859	0.1
89.00262	0.1
89.02344	0.1
93.03362	0.2
96.95912	0.3
101.02293	0.1
105.03378	0.2
107.01290	1.8
109.02846	0.1
117.03371	2.6
118.03708	0.2
121.02872	0.2
123.00828	0.1
125.02353	0.2
128.90097	0.2
132.02161	0.1
135.04436	0.2
137.02385	0.1
148.01585	0.3
149.02385	0.9
149.99515	0.2
151.00311	1.4
151.03944	0.1
155.04945	0.1
156.05946	0.1
157.06560	0.1
159.04465	1.1
161.02403	0.9
167.05005	0.1
169.01376	0.3
169.06561	0.3
171.04482	0.4
172.05209	0.3
175.00246	0.1
176.62129	0.1
177.01944	0.1
180.05730	0.1
181.06602	0.4
182.03711	0.1
183.04454	0.7
184.05214	0.1
194.66246	0.1
195.04501	0.3
196.05247	0.6
197.06093	0.8
198.03169	0.1
199.03967	0.2
200.04794	0.3
201.05606	0.6
202.07913	0.1
203.03470	0.1
211.04008	0.5
212.04703	0.3
213.05548	0.1
223.04124	0.1
224.04787	0.4
225.05565	1.3
227.03571	0.5
239.03510	1.3
240.04314	1.6
241.04955	0.2
267.03122	0.7
268.03833	24.3
269.04599	100.0
270.04944	8.0
283.06076	0.2
289.07135	0.1
291.06607	0.1
293.04697	0.1
300.02698	0.1
301.03857	0.1
310.26721	0.1
311.05487	0.3
371.07602	0.1
382.30536	0.1
407.07825	0.2
413.08856	0.7
431.09988	0.3
432.95593	0.1
447.09482	0.2
457.11954	0.1
577.15747	45.6
578.16064	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	14.7
59.01260	0.7
69.03337	0.7
71.01289	0.5
71.32115	0.8
74.75101	0.5
76.48638	0.5
81.03358	2.0
83.01273	4.7
85.02844	0.7
85.81493	0.4
89.19461	0.5
89.65061	0.4
93.03374	2.1
95.01280	1.2
95.04926	2.5
97.02863	4.0
99.00768	1.3
107.04889	0.8
108.02081	1.2
109.02866	17.2
110.03202	1.0
111.00783	1.9
113.02360	1.1
117.03363	0.6
121.02870	3.1
122.03697	0.8
123.00801	2.2
123.04443	13.4
124.01604	0.9
124.04787	0.8
125.02369	100.0
125.17095	0.4
126.02704	4.3
133.02913	4.1
135.04443	2.7
137.02377	27.4
138.02997	1.7
139.00296	3.6
139.03947	4.2
141.01851	1.8
143.04926	1.1
145.02890	1.1
147.04488	1.5
149.02394	6.6
150.03185	1.1
151.03954	11.2
152.04387	0.7
153.01886	2.0
159.04488	2.4
160.05266	1.0
161.02393	22.0
161.06038	3.5
162.03104	2.9
163.00320	2.4
163.03993	3.7
164.01115	7.2
165.01886	6.1
166.02574	1.1
167.03435	4.7
168.03772	0.7
169.01427	0.9
173.06038	1.0
174.03224	0.9
175.03957	7.9
175.07536	1.0
176.01089	0.9
177.01894	7.9
177.05525	1.5
179.03442	4.9
185.06018	0.8
187.03984	5.3
188.04752	2.4
189.01898	0.8
189.05438	1.0
191.03493	1.6
199.04018	0.8
199.07635	0.7
201.01987	0.6
201.05557	2.0
202.02762	0.6
202.06195	1.1
203.03537	2.0
203.07152	8.5
204.07547	0.7
205.01503	2.3
205.05055	6.6
213.05565	1.4
214.02773	0.6
215.03471	1.4
217.05122	2.3
217.08730	0.7
219.02989	1.2
219.06596	1.4
221.04425	0.6
221.08136	1.5
227.03485	1.2
227.07162	1.9
228.04233	1.1
229.05110	3.0
230.05791	0.7
231.03038	1.2
241.05116	0.8
243.03076	3.4
243.06627	1.2
244.03430	0.8
245.04562	4.3
245.08188	9.5
246.08562	1.2
247.06088	0.8
253.05247	1.0
255.03058	5.2
255.05719	0.8
255.06232	0.7
256.03760	3.4
257.04477	1.6
267.07129	0.9
269.04688	2.6
271.02444	0.6
271.06204	2.9
273.04163	3.0
273.07480	1.0
281.04669	2.9
282.05304	0.5
283.02542	1.4
284.03183	0.7
285.04102	2.7
286.04654	0.9
287.05695	9.1
288.06036	1.1
289.07248	49.4
290.07645	5.7
292.86893	0.6
297.04019	1.1
299.05621	4.7
305.06729	10.3
306.06989	0.6
329.06763	1.0
331.08472	0.6
339.08737	2.8
381.10065	1.6
389.06601	0.8
407.07800	38.3
408.08209	4.4
410.09808	0.6
423.07272	1.1
425.08914	14.5
426.09219	1.7
451.10406	10.2
452.10886	1.4
523.33191	0.5
559.12659	1.6
577.13702	9.1
578.14105	1.5
591.12219	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	11.4
57.53780	0.7
59.10324	0.6
69.03333	0.7
69.85899	4.4
81.03340	1.4
83.01291	4.4
93.03329	1.1
95.01316	0.7
95.04936	1.7
97.02848	4.6
98.20541	0.9
107.04953	0.8
108.02081	1.1
109.02866	16.5
121.02882	2.9
122.03651	1.4
123.04434	10.6
124.01658	0.8
125.02367	100.0
126.02710	3.5
131.04942	1.1
133.02882	2.9
135.04445	1.3
137.02374	21.4
139.03934	2.7
146.03592	1.0
147.04466	0.7
149.02391	6.0
151.03947	14.3
159.04495	1.9
161.02388	27.6
161.06021	4.4
162.03105	2.8
163.00316	1.5
163.03972	3.5
164.01118	4.3
165.01875	4.6
167.03459	2.2
173.06036	1.1
174.03152	1.2
175.03976	10.1
175.07700	0.8
176.01016	0.7
177.01875	5.5
177.05600	1.0
177.09624	0.8
178.02596	1.2
179.03479	5.0
185.06110	0.9
187.03981	7.1
188.04707	4.0
189.05565	1.1
193.04985	1.1
199.03987	0.9
201.05557	2.0
202.06281	1.0
203.03471	2.1
203.07108	9.9
203.10258	0.8
205.01402	3.1
205.05045	8.6
211.03952	0.9
212.04845	0.8
213.05597	2.0
214.02852	1.0
215.03419	1.5
217.05081	2.3
219.03134	0.9
221.08212	2.1
225.05727	0.8
227.03525	1.3
227.07204	2.1
228.04462	1.0
229.05092	2.7
230.05684	1.5
231.02939	1.6
242.02402	0.9
243.03041	3.1
243.06834	1.3
245.04529	5.2
245.08232	15.5
246.08519	1.7
247.06143	1.8
253.05095	1.7
255.03061	8.6
255.05663	0.9
255.06619	0.7
255.12943	0.8
255.89323	0.7
256.03720	6.4
257.04388	1.7
269.04620	1.9
271.06122	1.1
273.04150	3.1
281.04568	4.1
283.02496	2.2
285.04245	4.8
285.07062	1.1
287.05658	8.6
288.02844	1.1
289.07254	66.5
290.07544	5.8
297.07715	0.8
299.05670	6.6
300.05865	0.8
328.06241	1.1
329.07117	0.9
339.08798	4.1
359.37576	0.8
381.09772	2.8
382.93719	0.7
389.06543	1.0
407.07797	62.5
408.08060	8.8
425.08859	24.6
426.09241	4.1
451.10446	14.0
452.10803	2.2
559.12732	0.9
577.13367	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	577.1366
Annotation	Procyanidin B8
Peak:m/z	Relative Intensity
57.03337	13.0
62.82093	0.5
69.03349	1.5
70.92976	1.1
70.93311	1.1
81.03352	1.2
83.01278	4.0
85.02836	0.6
86.26067	0.5
89.03885	0.7
91.01761	0.6
91.28590	0.5
93.03367	1.5
95.01276	1.0
95.04938	1.8
97.02858	3.8
105.03369	0.9
107.04950	1.4
108.02064	1.0
109.02867	16.8
110.03215	0.7
110.57543	0.5
113.02377	0.6
117.03442	0.6
119.04843	0.6
121.02868	3.2
122.03679	1.4
123.00842	0.7
123.04448	12.0
125.02370	100.0
126.02684	3.4
131.04915	0.7
133.02884	4.7
135.04462	1.9
137.02374	18.9
138.03079	0.6
139.03949	1.8
143.04904	0.6
145.02872	1.4
146.03699	0.9
147.04463	1.1
149.02390	5.2
150.03165	1.9
151.03951	13.6
152.04349	0.7
157.01251	0.5
159.04512	3.2
161.02397	24.4
161.06018	4.0
162.03038	2.3
163.00301	2.9
163.03961	3.5
164.01137	4.4
165.01910	3.7
166.02339	0.7
167.03485	1.0
169.01326	0.9
173.02470	0.5
173.06036	1.1
174.03099	0.7
174.06491	0.5
175.03961	9.5
175.07565	0.8
176.04413	0.6
177.01907	7.0
177.05431	0.8
178.02335	0.5
179.03468	4.5
183.04440	0.8
185.06102	1.9
187.03978	6.6
188.04810	2.8
189.01978	0.9
189.05479	1.0
191.05606	0.9
191.99989	0.5
193.05014	0.8
199.04028	1.9
201.05545	1.6
202.06352	1.5
203.03558	1.5
203.07133	7.1
204.04004	0.6
205.01398	1.8
205.05022	6.7
211.04073	1.3
212.04741	1.1
213.05571	1.0
214.02771	1.3
215.03630	1.2
217.05095	2.4
219.03038	1.0
221.08182	1.5
227.03551	2.4
227.07050	1.0
228.04213	1.0
229.05043	3.4
230.05742	1.0
231.03026	0.9
241.05089	1.0
243.03053	5.2
243.06723	0.7
245.04688	3.1
245.08206	11.0
246.08574	1.3
247.06270	1.3
253.05234	0.7
255.03026	12.3
255.05486	1.0
256.03793	6.4
257.04593	2.4
269.04742	1.8
271.06244	0.7
273.04196	4.6
274.04428	0.7
281.04544	2.8
282.01981	0.8
283.02493	2.0
284.03253	0.7
285.04062	3.4
287.05685	7.3
288.02917	1.0
288.05878	1.1
289.07239	53.1
290.07617	4.1
297.04181	1.0
297.07687	0.8
299.05627	5.0
300.06210	0.7
328.05820	0.6
329.06757	0.7
339.08661	3.9
341.06827	0.7
355.14810	0.6
363.08505	0.6
381.10037	2.6
389.06955	3.3
407.07794	66.4
408.08157	8.8
411.32095	0.5
425.08881	18.0
426.09402	2.2
437.09296	0.7
451.10443	10.9
452.10709	1.7
559.12274	1.1
577.13855	7.4
578.14014	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1365
Annotation	Procyanidin B3
Peak:m/z	Relative Intensity
57.03340	12.8
67.01797	0.6
69.03352	0.7
69.41048	5.4
70.66273	0.6
81.03347	2.5
83.01285	4.9
84.87917	0.5
85.93371	0.6
93.03370	1.4
95.01288	1.1
95.04920	2.0
97.02868	4.8
105.03368	1.0
107.04968	1.6
108.02065	1.3
109.02866	20.1
110.03199	0.6
112.22640	0.6
117.03368	1.2
117.07056	0.8
121.02899	3.6
122.03641	1.6
123.00813	0.9
123.04440	14.0
124.01579	0.7
124.04728	0.8
125.02371	100.0
126.02700	3.3
131.04964	1.0
133.02907	4.3
135.04459	2.3
137.02377	17.9
137.03441	1.0
139.03943	4.0
145.02861	1.3
146.03682	1.6
147.04482	1.7
149.02391	5.7
150.03151	1.8
151.03954	12.7
159.04469	3.4
160.05226	1.0
161.02394	25.6
161.06017	4.4
162.03101	2.8
163.00320	1.7
163.03960	3.2
164.01111	3.7
165.01884	4.1
166.02303	0.7
167.03470	1.4
172.05240	0.6
174.03137	1.0
175.03978	9.4
175.07544	1.2
177.01927	6.6
177.05531	1.8
178.65955	0.6
179.03444	5.3
180.04015	0.6
183.04565	0.7
185.06055	1.1
187.03975	6.5
188.04709	4.1
189.05479	1.4
190.02719	0.9
191.03526	0.9
191.05560	0.9
193.05084	1.1
199.03917	0.8
199.07651	0.6
201.05568	2.0
202.06325	1.5
203.03545	1.7
203.07129	9.9
205.01421	2.3
205.05066	6.6
211.03937	1.3
212.04697	0.7
213.05498	1.5
215.03458	1.5
217.05048	1.9
219.06610	0.7
221.08176	2.1
227.03526	1.8
227.07234	1.5
228.04308	1.1
229.05055	2.5
230.05598	1.0
231.02992	1.1
240.23015	0.8
243.03070	2.1
243.06673	0.8
245.04594	5.4
245.08192	9.7
247.06187	1.5
253.04994	0.8
255.03044	9.4
256.03735	5.2
257.04565	1.9
267.07129	0.6
269.04572	2.4
271.06116	0.7
273.04062	4.1
281.04678	4.0
283.02423	1.6
284.03177	1.0
285.04132	2.5
287.05670	11.0
288.02972	0.9
289.07254	64.5
290.07587	5.2
297.04248	0.9
297.07547	0.8
299.05661	5.8
305.06891	0.7
315.08490	0.7
329.06616	1.6
339.08777	3.4
381.10098	1.9
407.07813	55.5
408.08087	6.8
425.08875	24.1
426.09351	3.2
451.10403	13.3
451.16260	0.9
452.10825	2.1
454.63181	0.7
559.12640	1.4
577.13782	7.5
578.13977	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	8.7
63.54928	1.3
70.37811	5.3
81.03316	2.0
83.01283	3.0
95.04949	1.8
97.02853	3.9
98.20506	1.7
107.04907	1.9
109.02866	13.7
119.93810	1.2
121.02872	2.8
123.04418	10.1
125.02366	100.0
126.02689	3.1
133.02873	3.4
137.02364	15.3
139.03943	2.4
146.63766	1.3
149.02364	4.3
151.03934	9.4
159.04518	2.0
161.01079	1.7
161.02394	25.0
161.06020	2.9
162.03029	2.3
163.00305	2.0
163.03958	2.7
164.01065	3.5
165.01895	3.4
175.03983	8.6
177.01855	4.7
179.03448	4.6
187.03967	5.8
188.04797	3.2
201.05579	2.0
202.06352	1.4
203.03511	1.4
203.07149	8.1
205.01341	3.2
205.05032	6.7
217.05009	2.5
221.08208	1.4
229.05016	3.0
243.03011	2.3
245.04512	5.1
245.08232	11.0
255.02969	7.7
256.03702	4.7
257.04492	2.1
263.85211	1.4
269.04520	2.0
271.06024	1.6
273.04089	7.4
281.04608	3.0
285.04153	3.7
287.05606	11.5
289.07254	77.7
290.07669	5.9
299.05725	7.4
329.06729	1.8
339.08844	2.9
381.09558	1.9
407.07773	74.9
408.08215	10.0
425.03290	2.5
425.08878	36.1
425.14615	2.2
426.09109	5.6
451.10483	19.6
452.10382	2.2
462.28027	1.1
491.87146	1.4
559.13031	1.9
577.13721	8.0
578.14209	2.3
599.65033	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	16.0
65.03849	0.6
69.03334	1.1
69.38522	0.4
70.90830	1.1
73.19681	0.3
81.03333	2.2
83.01273	6.0
89.03888	0.4
93.03360	1.6
95.01257	0.7
95.04915	3.0
97.02851	4.6
105.03352	0.5
107.04928	1.7
108.02067	1.0
109.02863	22.3
110.03234	0.5
111.04425	0.6
117.03360	1.1
121.02888	3.8
122.03646	1.7
123.00806	0.6
123.03532	0.6
123.04434	15.3
125.02365	100.0
126.02702	4.0
131.04979	1.2
133.02878	4.7
135.04460	2.5
137.02376	19.3
138.02742	0.5
139.03929	3.5
143.04935	0.5
145.02890	1.1
146.03641	0.8
147.04465	1.4
149.02377	5.4
149.05946	0.5
150.03096	1.3
151.03946	12.7
152.04276	0.6
157.06516	0.8
158.03708	0.6
159.04445	3.9
160.05208	0.7
161.02386	27.1
161.06029	5.0
162.03061	2.8
163.00304	1.8
163.03920	3.2
164.01096	4.3
165.01877	4.4
166.02505	0.5
167.03459	1.7
173.06068	1.1
174.03212	0.9
175.03958	9.8
175.07584	1.5
176.01115	0.8
176.04456	0.8
177.01884	6.3
177.05499	1.5
178.02495	0.5
179.03493	4.1
183.04512	0.5
185.06094	1.3
186.06720	0.4
187.03996	8.0
188.04712	3.3
189.01958	0.9
189.05495	0.5
190.02690	0.6
196.17116	0.4
199.04019	1.2
199.07716	0.6
199.63638	0.4
201.05547	1.6
202.06349	1.5
203.03494	2.0
203.07098	9.1
203.08899	0.8
204.04024	0.6
204.07484	0.4
205.01430	2.2
205.05048	6.9
211.03996	1.6
212.04771	0.9
213.05568	1.5
214.02687	0.9
215.03490	1.6
217.05057	1.7
217.08623	0.7
219.06813	0.6
221.08246	1.9
225.05592	0.9
227.03435	2.2
227.07167	1.3
228.04237	1.4
229.05083	3.6
230.05791	0.9
231.03029	0.7
231.06659	0.7
241.05122	0.5
242.02284	0.5
243.02997	2.2
243.06671	0.8
244.03680	0.8
245.04576	3.9
245.08218	11.0
246.08466	0.7
247.06235	1.0
253.05130	1.3
255.03046	8.2
255.06097	0.8
255.06538	0.7
256.03717	4.8
257.04547	1.6
267.06796	0.5
269.04639	2.1
271.06262	0.6
273.04132	3.9
274.04782	0.5
281.04538	3.4
282.01822	0.7
283.02484	1.7
284.03149	0.7
285.04172	1.9
285.07632	0.5
287.05692	9.5
288.02975	0.7
288.06021	0.6
289.07251	59.7
290.07587	4.9
297.04181	1.0
297.07574	0.8
299.05679	5.5
300.06204	0.8
305.06729	1.0
321.07571	0.6
329.06766	1.2
339.08801	2.8
340.09039	0.5
341.06622	0.8
345.56100	0.4
381.09839	1.9
407.07794	50.3
408.08081	7.2
425.08875	21.3
426.09259	3.8
433.09592	0.6
449.09329	0.4
451.10416	12.0
452.10724	2.0
525.69196	0.5
559.12610	1.1
575.89667	0.4
577.13739	6.8
578.14520	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	18.1
69.67175	0.9
70.72546	2.9
73.86961	0.9
74.03796	0.9
74.93941	0.9
78.59561	0.8
81.03344	3.0
83.01269	4.5
93.03342	1.4
95.04939	2.7
97.02851	5.2
107.04964	1.9
108.02040	1.4
109.02866	23.6
110.03214	1.0
117.03397	1.4
121.02846	3.9
122.03700	1.9
123.04450	16.6
125.02368	100.0
126.02695	2.7
127.54220	0.9
131.04926	1.5
133.02866	5.7
135.04439	2.6
137.01375	1.9
137.02370	21.3
138.02798	1.0
139.03928	4.1
145.02864	1.3
147.04422	2.0
149.02354	4.9
150.03156	1.6
151.03020	1.0
151.03978	12.3
159.04448	3.7
160.05206	1.0
161.02397	26.8
161.06044	3.6
162.03064	3.1
163.00330	2.1
163.03912	4.7
164.01067	4.4
165.01900	4.7
173.06018	1.7
174.03188	1.0
175.03957	11.6
175.07629	1.2
176.04414	1.2
177.01872	6.7
177.05518	1.7
179.03473	4.2
185.06139	1.1
187.03978	8.2
188.04716	4.3
189.05515	2.2
201.05482	2.7
202.06281	1.4
203.03511	1.4
203.07056	7.9
205.01346	3.4
205.05045	7.8
211.04019	2.3
215.03470	1.7
217.05054	1.6
221.08127	2.4
227.03575	1.9
229.05006	2.5
243.03023	3.1
245.04553	4.6
245.08217	8.8
246.08571	1.3
253.05190	1.5
255.03084	8.8
256.03738	5.5
257.04523	2.4
269.04672	1.3
271.06152	1.3
273.04095	4.0
281.04587	2.3
283.02423	1.4
285.04193	1.9
287.05682	7.3
289.07242	62.0
290.07700	4.9
299.05698	5.5
329.06686	1.8
339.08734	3.3
381.09665	3.2
407.07785	50.6
408.07996	7.3
425.08817	18.8
426.09259	3.2
451.10461	13.7
559.12225	1.5
577.13654	7.9
578.13342	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	0.7
61.98719	100.0
62.98413	0.2
69.41789	1.2
71.01279	0.1
73.17413	0.1
78.95802	0.1
89.02243	0.1
96.65903	0.1
125.02410	0.1
132.81174	0.1
151.44225	0.1
230.12921	0.1
253.09402	0.2
255.09746	0.2
269.04684	0.3
277.21802	1.0
278.22134	1.5
279.22397	0.7
280.22852	0.5
354.80096	0.1
359.45914	0.1
577.26654	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94782	0.1
58.16354	0.1
59.01265	20.0
60.01600	0.2
61.98706	0.2
71.01280	0.3
71.09971	0.1
78.95794	6.8
83.04923	0.2
83.24064	0.1
101.65378	0.1
127.07589	0.2
152.99521	1.7
158.52992	0.1
168.04260	1.9
168.05707	0.2
224.06952	1.1
233.22810	0.5
240.64395	0.1
242.08026	3.0
243.08325	0.1
259.20712	0.5
275.20267	0.6
277.21774	100.0
278.22125	9.0
311.16101	0.1
414.19940	0.1
502.29510	39.6
503.29874	5.5
577.15710	0.1
590.07056	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	28.5
60.01603	0.4
61.98706	0.3
71.00963	0.3
71.01277	2.4
73.02832	0.6
78.95798	25.3
78.98466	2.1
79.95632	3.0
80.35003	0.4
80.48775	0.3
80.96413	22.8
85.02832	1.0
87.00765	0.9
88.38654	0.3
94.97987	4.7
97.02844	0.8
101.02346	1.5
106.98013	1.0
122.97498	1.7
122.98370	0.6
125.02356	1.3
134.97502	1.8
136.99072	0.3
143.49707	0.4
148.99149	1.7
152.98492	1.6
152.99620	2.9
164.98581	4.0
168.04269	3.8
182.99594	0.8
206.99667	1.1
224.06931	10.8
225.00775	5.6
225.07248	0.4
233.22504	0.6
234.15347	0.4
242.07951	2.9
243.01744	1.2
252.26851	0.4
259.20721	0.4
275.20319	0.4
277.21790	100.0
278.22134	9.4
299.04532	1.0
329.29532	0.4
437.64627	0.3
502.29544	89.8
503.29877	12.0
513.27313	0.3
517.25751	0.4
576.76569	0.7
577.27026	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.136
Annotation	Procyanidin B2
Peak:m/z	Relative Intensity
57.03337	13.8
58.03665	0.4
59.01264	0.3
65.00202	0.4
65.03843	0.3
67.01759	0.3
69.03339	0.6
69.16441	0.2
71.01273	0.2
71.61572	0.3
77.03835	0.2
77.55994	0.2
79.95618	0.2
81.03358	1.9
83.01276	3.9
83.04908	0.2
85.02860	0.2
89.02396	0.2
89.03839	0.3
93.03364	1.5
95.01290	0.6
95.04926	1.9
96.95917	5.1
97.02843	3.5
99.04420	0.3
105.03381	0.3
107.01369	0.2
107.04945	0.9
108.02090	0.7
109.02866	15.3
110.03181	0.5
111.04412	0.3
113.02300	0.2
117.03369	0.6
119.04941	0.4
121.02878	2.7
122.03626	0.8
123.00812	0.4
123.04445	11.2
124.04747	0.6
125.02370	100.0
126.02701	3.7
129.09341	0.2
131.04970	0.7
133.02887	3.4
134.03151	0.3
135.04428	1.7
136.01500	0.2
137.02377	19.9
138.02818	0.8
139.00293	0.4
139.03929	2.5
139.19011	0.2
141.01830	0.3
143.04959	0.6
145.02873	0.8
146.03694	0.7
147.04442	0.8
149.02390	3.8
149.06035	0.2
150.03223	1.2
151.00334	0.5
151.03949	10.0
151.16020	0.2
152.04294	0.4
153.01936	0.3
155.78574	0.2
157.06583	0.4
158.03749	0.3
159.04463	2.4
160.05228	0.9
161.02394	21.3
161.06006	2.9
162.03160	2.3
163.00319	2.0
163.03961	2.5
164.01102	4.6
165.01895	4.0
166.02565	0.3
167.03474	1.3
167.04668	0.2
169.01393	0.5
172.81470	0.2
173.06032	0.6
174.03159	0.7
174.06761	0.2
175.03978	6.4
175.07588	1.3
176.01112	0.6
176.04440	0.3
177.01900	4.8
177.05528	0.8
178.02621	0.5
179.03471	3.7
180.85895	0.2
183.04475	0.4
185.02498	0.2
185.05986	1.0
187.03978	5.5
188.04745	2.4
189.01956	0.5
189.05501	0.7
190.01334	0.3
191.03450	0.3
191.05637	0.3
192.00661	0.3
193.05029	0.4
197.06061	0.2
199.03984	0.7
199.07590	0.7
200.04756	0.3
201.01907	0.3
201.05574	1.2
202.06310	1.2
203.03477	1.3
203.07121	8.3
204.07478	0.4
205.01405	1.6
205.05052	5.8
206.05377	0.3
211.04012	0.7
212.04794	0.5
213.05592	0.6
214.02698	0.7
215.03522	0.8
215.07143	0.4
216.04155	0.2
217.05109	1.4
217.08780	0.3
218.05341	0.3
219.06569	0.5
221.08195	1.5
225.05562	0.6
227.03526	0.9
227.07048	1.2
228.04323	0.6
229.05109	2.1
230.05823	0.7
231.02951	0.9
231.06573	0.5
241.05118	0.4
243.03040	2.0
243.06676	0.6
244.03528	0.2
245.04552	3.3
245.08212	9.3
246.04767	0.3
246.08546	1.0
247.03682	0.3
247.06142	0.8
253.05180	0.7
255.03040	3.7
256.03711	3.0
257.04501	1.0
258.04977	0.3
259.06177	0.2
261.03979	0.3
269.04669	1.1
271.02573	0.2
271.06140	0.9
273.01083	0.3
273.04092	4.3
274.04474	0.3
280.03888	0.3
281.04657	2.0
282.01779	0.3
282.04764	0.2
283.02481	0.9
285.04169	1.4
287.02423	0.3
287.05676	6.0
288.02975	0.4
288.05905	0.4
289.07248	50.1
290.07590	4.1
297.04083	0.9
297.07410	0.4
298.05093	0.3
299.05673	6.3
300.06128	0.5
315.08618	0.3
316.02228	0.7
321.07828	0.3
329.06824	0.6
331.08295	0.5
332.01752	0.3
339.08734	2.1
341.06757	0.3
381.10056	1.7
389.07004	0.3
407.07794	33.0
408.08118	4.5
409.09546	0.3
410.09790	0.2
425.08862	15.7
426.09244	2.3
433.09732	0.5
449.08841	0.3
451.10452	9.2
452.10837	1.3
463.08807	0.7
479.08453	0.4
493.32074	0.2
537.64355	0.2
539.20282	0.4
559.12457	0.7
563.55444	0.2
577.13611	6.7
577.21466	0.8
578.13696	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.3
56.77174	0.3
58.00463	0.2
59.01268	15.9
60.01605	0.4
61.98715	0.4
71.01275	3.0
71.60228	0.5
72.99205	0.3
73.02836	0.9
85.02847	0.6
87.00799	0.4
89.02350	2.8
95.01280	0.3
101.02346	3.5
104.39093	0.3
113.02348	1.3
119.03416	0.8
125.02347	0.3
127.07661	0.2
143.03354	0.2
153.47606	0.2
161.04489	1.1
179.05560	0.5
181.39835	0.3
214.24002	0.2
235.08270	1.3
253.09328	15.0
254.09709	0.5
279.23358	100.0
280.23715	11.1
326.05182	0.2
380.75116	0.2
515.32544	0.4
524.94543	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.7
60.62105	0.1
61.16978	0.1
61.98717	100.0
62.78040	0.1
68.52942	0.1
70.66353	0.2
71.01284	0.3
73.02840	0.2
77.83048	0.1
78.98481	0.2
79.95626	0.3
80.96409	2.0
85.02848	0.1
94.98003	0.4
101.02391	0.1
106.98079	0.1
109.61065	0.1
122.97486	0.1
125.02390	0.1
126.80797	0.1
134.97511	0.1
148.99112	0.2
152.98596	0.1
164.98602	0.2
180.30553	0.1
213.97223	0.1
225.00699	0.4
253.09441	0.1
254.09688	0.2
255.09903	0.3
256.10361	0.1
277.21753	1.2
278.22144	1.8
278.24976	0.1
279.22433	1.1
280.22687	0.7
353.34634	0.1
577.26984	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	574.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	0.5
61.98718	100.0
62.98422	0.2
69.33710	0.9
71.01272	0.3
73.02907	0.1
78.95795	4.8
83.04931	0.2
88.98704	0.1
89.02358	0.2
96.95921	0.1
96.96873	0.5
101.02374	0.2
111.00835	0.1
152.99536	3.2
157.54776	0.1
163.11299	0.1
183.13852	0.2
209.11823	3.0
211.13397	2.7
227.12929	0.4
240.37056	0.1
292.19989	0.1
347.12695	0.9
363.12219	1.7
365.13876	0.2
381.13293	0.4
391.15469	0.1
453.73840	0.1
514.27875	0.2
515.28784	0.3
575.26379	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	575.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45890	0.8
57.03330	0.9
57.21904	0.9
59.01265	7.7
60.99192	0.8
61.98720	50.5
71.01273	3.9
71.56319	1.1
72.99213	1.1
78.95798	100.0
80.02579	1.1
81.03362	1.5
83.01291	1.1
83.04917	5.6
85.02853	2.1
87.00778	2.0
88.98714	5.6
89.02341	3.4
92.82844	0.9
96.95909	1.4
96.96868	9.8
101.02341	3.0
105.33369	0.9
109.02886	1.0
113.02361	1.8
125.02391	4.2
134.98502	1.5
137.02242	0.9
152.99535	69.1
153.99889	1.3
161.02383	0.9
161.04536	1.0
163.11223	3.8
165.12782	1.8
169.01360	1.5
171.00575	1.1
183.13878	6.5
191.84599	0.8
193.12363	1.9
209.11827	54.1
210.12114	4.0
211.13399	56.9
212.13811	4.7
227.12915	7.4
236.59077	1.0
347.12723	17.6
347.16684	1.3
348.13223	1.4
363.12247	32.4
364.12378	2.3
365.13876	6.9
381.13385	7.5
515.28705	6.5
573.90448	1.1
575.26385	50.5
576.26666	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	3.6
58.00483	3.4
59.01268	59.3
61.98422	2.3
61.98722	35.8
65.59892	1.8
71.01273	54.0
71.60160	2.2
72.99170	4.6
73.02840	17.2
75.00735	2.9
78.95803	14.5
83.01289	3.4
85.02853	12.6
87.00774	4.7
88.98689	8.2
89.02341	73.5
95.01307	4.7
95.82436	1.8
96.95907	4.8
96.96871	2.5
96.99660	2.0
99.00783	21.2
101.02355	43.6
113.02369	17.8
119.03407	8.6
125.02368	6.8
131.03415	13.4
143.03424	2.1
149.04503	49.1
152.99562	9.7
161.04497	5.6
169.01445	3.1
191.05621	10.7
211.13354	4.7
221.06654	2.8
225.11176	3.5
248.17278	2.0
251.07710	6.1
341.39981	2.4
361.10605	2.4
381.22806	2.9
439.55264	2.5
459.25949	2.3
513.27118	100.0
514.27728	14.2
521.50763	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	573.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.3
59.01268	3.4
61.98716	5.6
63.99138	0.4
65.00217	1.1
67.01775	0.5
68.99694	0.5
69.03336	0.8
71.01263	2.3
71.60082	0.3
72.99200	0.5
73.02853	0.4
74.54636	0.3
78.95798	0.4
79.01797	0.3
81.03346	1.3
83.01299	0.6
85.02867	0.8
87.31229	0.2
89.02340	0.8
93.03365	1.1
94.11217	0.3
94.63342	0.3
95.01281	4.5
95.04916	0.4
96.95939	0.5
97.02855	1.1
99.00771	0.5
101.02368	1.4
105.03341	0.5
107.01290	12.8
109.02878	1.2
110.00013	0.3
111.00794	1.2
113.02361	0.8
118.51993	0.3
119.03427	0.5
121.02869	1.2
123.00802	9.9
123.04447	1.0
123.07625	0.2
124.01592	2.1
125.02367	19.7
126.02712	0.7
127.00288	0.4
133.02835	0.5
135.04454	0.9
136.01620	0.4
136.98741	0.7
137.02391	2.9
137.99532	0.4
139.00293	1.6
139.03981	0.3
140.01122	1.2
140.77922	0.3
141.01843	0.9
145.02896	0.7
149.02394	1.0
149.99533	28.1
151.00323	13.3
151.03970	0.9
152.00739	0.5
153.01816	0.5
161.02391	0.5
163.00316	0.6
163.03998	0.6
165.01904	2.7
166.99780	2.4
167.03432	0.4
168.00604	6.1
169.01379	19.1
170.01733	1.0
175.03932	0.5
177.01875	1.1
179.03459	0.5
181.01367	0.3
191.03427	0.3
193.01392	2.6
193.98544	16.5
194.99329	38.8
195.99696	1.8
202.02678	0.4
203.03456	0.4
205.01472	0.5
209.00925	0.3
211.02417	2.4
218.99336	0.5
225.04189	0.3
230.02144	0.3
231.02892	0.3
237.00453	0.6
237.03941	0.3
241.03571	0.6
249.06030	0.3
259.02533	0.6
271.04736	0.9
274.01331	0.4
279.01709	0.3
281.03110	0.3
285.06171	0.3
289.07260	0.5
297.06314	1.1
302.00748	0.4
312.05038	0.4
313.05704	18.0
314.06012	1.2
331.06699	2.0
339.03619	2.9
351.21756	0.5
403.08441	0.2
421.07742	2.7
421.12671	0.3
422.07782	0.4
437.07214	0.3
438.08069	0.3
465.06815	100.0
466.07169	13.3
466.13882	0.5
467.06116	0.3
475.54684	0.2
482.07056	5.9
483.07813	0.8
573.12897	5.2
573.29352	3.2
574.12122	1.0
574.32660	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93611	0.4
56.92348	0.3
59.01258	1.2
59.72390	0.4
60.67171	0.3
60.99181	0.4
65.00202	0.8
67.01773	1.3
69.03334	1.2
69.47073	2.9
69.47466	0.8
71.01260	2.3
72.99186	0.5
73.02839	0.5
79.01781	1.1
81.03334	0.6
83.01270	0.9
85.02857	1.1
87.00771	0.4
88.98693	2.6
94.86552	0.4
95.01273	2.2
97.02843	1.2
98.13018	0.4
98.19781	0.7
101.02358	1.2
107.01295	9.8
109.02816	0.7
109.04047	0.3
109.62315	0.4
110.00023	0.5
111.00790	3.5
111.88181	0.3
112.52332	0.3
113.02319	0.5
123.00802	14.6
124.01639	2.8
125.02370	38.7
126.02703	1.6
127.00308	0.9
136.98721	2.0
139.00305	5.8
140.01079	5.2
141.01869	1.2
151.00317	6.2
153.01862	1.3
154.99818	0.7
166.99799	0.7
167.03502	0.4
168.00609	5.7
169.01384	31.6
170.01721	1.2
191.03540	0.5
211.02382	0.8
237.04240	0.4
268.35794	0.4
295.04538	0.4
313.05768	1.1
403.10364	4.0
421.11514	11.3
422.12033	1.8
483.18823	1.1
573.12616	100.0
574.12946	15.9
574.21936	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08166	0.2
55.01783	0.4
55.11104	0.3
57.03340	0.4
57.47072	0.2
59.01264	2.4
60.99188	0.4
61.98712	1.0
63.87350	0.3
65.00204	0.6
65.16319	0.2
67.01785	1.5
69.03340	0.9
69.48846	1.1
69.49268	1.1
71.01276	3.6
72.99194	1.1
73.02862	0.5
79.01791	1.0
81.03371	0.6
83.01280	1.0
85.02852	1.7
87.00772	0.4
88.98704	1.6
89.02355	0.8
93.03403	0.6
93.31155	0.2
94.53490	0.3
95.01291	2.8
96.95919	1.4
96.99213	0.3
97.02865	1.4
99.00778	0.5
101.02329	1.8
107.01304	7.7
107.04959	0.4
108.01601	0.3
109.02863	1.1
110.00007	0.6
111.00796	4.6
112.01080	0.3
113.02374	1.2
119.04961	0.5
121.02876	0.5
123.00808	15.8
123.04444	0.6
124.01652	3.0
125.02373	42.1
126.02698	1.8
127.00262	1.8
135.04492	0.4
136.98749	1.9
137.02364	1.6
138.03156	0.4
139.00311	6.0
139.03856	0.4
140.01105	5.9
141.01889	2.2
145.02905	0.5
149.02408	0.6
150.03156	0.4
151.00313	9.8
151.01526	0.5
151.03966	1.0
152.00699	0.3
153.01897	1.2
154.99794	0.6
161.02402	0.9
161.04489	0.4
163.03947	0.6
164.01071	0.3
165.01871	0.8
165.05504	0.4
166.02689	0.6
166.99825	1.2
167.03418	0.6
168.00615	9.8
169.01389	45.4
170.01706	1.8
175.03969	0.5
177.01920	0.6
177.57587	0.3
179.03467	0.5
181.01375	0.5
181.05026	0.3
187.96770	0.7
190.02478	0.3
191.03612	0.3
193.01405	0.9
193.05130	0.4
204.95821	0.9
205.01381	0.3
207.03009	0.5
209.04602	0.3
211.02475	4.8
211.04329	0.4
212.02713	0.4
213.05685	0.3
214.06407	0.4
215.07181	0.6
223.02441	0.3
229.05167	0.3
240.04312	0.5
241.03680	0.3
258.05441	1.1
271.04477	3.3
272.05249	0.3
285.04660	0.3
287.05582	0.3
289.07346	0.7
295.04700	1.0
296.05301	0.5
297.06281	1.4
300.99994	0.8
313.05743	3.4
331.06870	0.7
351.22040	0.3
390.39169	0.3
403.10443	4.1
404.10822	0.3
421.11520	12.7
422.12125	1.3
465.06946	0.6
483.18994	1.0
529.13916	0.4
537.12146	0.5
537.19916	5.2
538.20239	0.5
549.20679	0.3
558.21735	0.4
573.12646	100.0
574.13055	16.4
574.20709	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96093	0.3
55.01790	0.5
57.03331	0.5
59.01273	3.3
60.99177	0.4
61.98716	0.3
65.00209	0.6
67.01778	0.8
68.99700	0.5
69.03356	1.2
69.99525	0.9
69.99940	0.7
71.01270	3.5
72.99195	0.4
73.02837	1.2
79.01778	0.7
79.57258	0.3
81.03342	0.5
83.01283	1.1
85.02839	1.9
87.00784	0.8
88.98686	2.4
89.02357	1.0
95.01279	2.5
96.95902	1.9
97.02868	1.0
99.00778	0.7
101.02357	3.1
107.01299	10.6
109.02876	1.7
109.99975	0.5
111.00809	2.3
113.02361	1.8
119.04901	0.3
121.02871	0.4
122.99907	0.6
123.00803	12.8
123.04418	1.4
124.01616	0.9
125.02370	35.3
126.02733	1.0
127.00304	0.9
133.02933	0.3
135.04478	0.8
136.98714	1.2
137.02370	1.2
139.00307	4.2
139.03928	0.4
140.01082	2.8
141.01888	2.2
145.02913	0.4
149.02357	0.7
150.03165	0.5
151.00314	10.9
151.03964	1.1
152.00677	0.5
152.55815	0.3
153.01880	0.8
154.99699	0.4
160.01653	0.4
161.02393	1.1
163.00279	0.8
163.04045	0.5
165.01900	0.8
166.02722	0.5
166.99776	0.8
168.00604	3.9
169.01385	43.0
170.01715	2.0
175.03946	0.4
176.01086	1.0
177.01903	1.6
179.03548	0.3
181.04977	0.4
182.20094	0.3
187.04056	0.4
187.48141	0.3
189.01912	0.7
191.03477	0.3
211.02391	0.9
211.04144	0.6
215.60571	0.3
216.00629	0.3
217.05087	0.7
223.02478	0.4
226.48589	0.3
227.03577	0.3
229.05103	0.4
237.11385	0.3
243.03160	0.5
255.03023	1.2
257.04611	0.7
269.04599	0.8
271.04678	1.1
281.04794	0.6
283.02664	2.4
284.03375	1.1
285.04074	3.6
297.04071	0.9
300.99948	1.4
306.78235	0.4
313.05661	2.3
319.08368	0.4
323.05698	0.4
325.03497	1.4
339.05295	0.6
407.07401	0.5
411.16928	0.4
421.11505	100.0
422.11847	12.6
447.07324	4.8
448.07660	1.0
449.08536	0.4
483.18964	2.4
519.19177	0.4
529.12177	0.5
537.20020	5.1
538.20331	0.6
555.20905	0.4
573.12689	16.5
574.12866	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	573.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00578	0.4
57.03334	0.7
59.01256	2.4
61.98741	0.4
65.00210	0.6
67.01772	1.9
68.21974	0.4
68.31933	0.4
68.99704	0.8
69.03336	1.5
70.62290	0.4
70.62619	1.6
71.01270	3.2
72.99174	0.9
73.02846	0.7
79.01789	1.5
81.03316	0.5
83.01276	1.5
85.02845	1.5
85.99967	0.4
87.00767	1.2
88.98708	0.5
89.02322	0.7
93.03298	0.5
95.01283	2.9
96.95917	0.6
97.02840	1.4
98.19906	0.4
99.00767	0.7
101.02341	1.2
107.01290	9.4
109.02901	0.7
111.00790	4.3
113.02387	2.0
119.04912	0.7
121.02861	0.6
123.00798	17.2
123.04443	0.5
124.01644	3.4
125.02367	42.7
126.02693	1.2
127.00317	1.0
133.02905	0.6
135.04465	0.8
136.98770	2.8
137.02371	1.6
139.00288	6.0
140.01085	5.9
141.01854	1.9
143.03413	0.8
149.02356	0.4
151.00301	8.2
151.03911	0.9
153.01817	1.1
154.99792	0.6
161.02402	1.1
163.03922	0.9
164.00978	0.5
165.01852	0.4
166.02625	0.5
166.99792	1.6
167.03473	0.9
167.99182	0.5
168.00601	10.2
169.01373	47.0
170.01715	1.9
177.01833	0.8
179.03452	0.5
181.01256	0.7
187.96709	2.0
193.01471	0.7
204.95773	2.2
211.02435	4.0
240.13680	0.5
258.05212	0.4
271.04660	1.7
287.05603	0.6
289.07251	1.1
295.04755	1.1
296.05661	0.5
297.06186	1.6
298.06650	0.4
300.99988	0.6
313.05621	3.6
375.27606	0.7
389.06479	0.4
403.10376	4.3
421.11496	11.5
422.11942	0.9
465.06854	0.6
467.37549	0.4
537.20001	2.3
570.33948	0.5
573.12604	100.0
574.12927	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94511	0.2
59.36549	0.3
61.98699	0.3
62.96288	0.3
70.32162	1.2
78.25021	0.3
78.95796	62.9
96.96865	14.3
98.14116	0.3
98.20130	0.5
99.41362	0.3
105.81443	0.3
134.98474	0.7
150.98012	0.6
152.99532	57.1
153.99886	1.1
166.16603	0.3
171.00662	0.6
223.00162	2.1
241.01212	29.5
242.01477	1.3
255.23340	72.8
256.23700	6.8
259.02377	0.5
315.04950	8.9
316.05441	0.3
333.06091	0.4
339.78131	0.3
391.22513	4.2
392.23071	0.5
430.83063	0.3
571.29016	100.0
572.29376	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	571.2901
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
59.01258	1.4
61.98675	0.8
62.82517	0.7
64.45520	0.7
73.10405	0.7
74.77060	0.6
78.95795	59.5
89.05929	0.7
92.02829	0.7
96.96864	12.1
98.20548	2.2
109.42375	0.8
121.85696	0.7
124.30931	0.8
152.99527	55.3
213.76320	0.8
223.00085	2.2
240.98749	1.4
241.01213	29.6
242.01479	1.2
255.23320	68.4
256.23666	5.9
259.02176	1.1
284.31152	0.8
315.04929	9.5
349.14157	0.7
358.23914	0.7
391.22580	4.8
571.28992	100.0
572.29279	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86378	0.4
54.29400	0.4
59.01266	43.5
60.01559	0.5
61.98423	0.7
61.98717	8.9
66.60423	0.4
69.39577	4.3
71.01261	2.7
78.95777	0.6
80.02560	1.2
81.03355	1.2
83.01286	0.5
83.04921	3.0
84.02035	0.5
85.02827	0.7
89.02335	1.7
91.29929	0.4
95.04900	0.7
96.95924	0.8
101.02345	1.3
101.65262	0.5
107.08560	0.6
109.02863	0.7
113.02374	0.7
125.02369	0.9
125.09650	1.0
135.08110	0.6
163.11237	1.7
165.12793	2.2
169.01402	0.5
171.10251	6.3
179.05551	0.7
181.12274	0.7
182.90781	0.6
191.10773	1.5
205.21902	0.5
209.11829	100.0
210.12163	8.0
227.12894	10.9
228.13278	0.8
247.13448	1.6
265.14594	1.1
375.25760	1.0
475.27249	1.0
493.28131	1.4
511.29037	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82693	0.3
59.01267	2.7
61.98719	100.0
67.01799	0.6
69.03352	1.4
71.01279	1.1
71.56586	0.6
72.99208	0.5
73.02843	0.4
83.01276	0.5
85.02817	0.4
87.04414	1.4
89.02334	0.7
93.03358	9.0
93.03913	0.6
94.03690	0.3
95.01307	1.1
96.95913	0.8
97.02866	1.1
101.02352	0.8
107.01280	1.9
107.04945	0.8
109.02872	2.0
113.02370	0.4
117.03405	0.8
119.03468	0.4
119.04922	2.7
122.03708	0.3
123.00793	2.9
123.04451	0.4
124.01643	0.4
125.02370	31.2
126.02708	1.2
133.02892	0.8
134.03682	0.4
135.00787	1.2
135.04449	1.0
137.02367	0.9
139.00328	0.6
140.01073	0.5
141.01820	0.5
143.04913	0.5
145.02896	2.3
147.04451	2.6
148.01610	0.5
149.02438	0.9
151.00313	1.0
151.03925	0.6
153.01854	0.5
159.04556	0.4
161.02380	1.4
161.05943	0.5
162.03148	0.5
163.03911	1.0
166.99803	2.8
168.00592	1.1
169.01382	47.3
170.01715	2.0
174.03168	0.4
175.04016	0.4
176.01103	1.4
177.01901	4.3
178.02316	0.4
182.18230	0.3
185.02461	0.3
185.05885	0.4
187.04025	0.8
189.01912	16.0
189.05557	0.5
190.02696	32.3
191.03456	9.8
192.03764	0.5
201.01917	2.1
203.03465	2.2
211.13345	0.4
213.01947	0.8
213.05435	0.4
213.09267	0.5
215.03508	0.7
216.00641	1.4
217.01439	3.2
218.02213	11.5
219.02995	5.2
227.07150	0.4
229.05144	0.5
231.02977	2.1
235.07718	0.5
239.07217	0.4
241.05145	1.8
243.06522	0.8
253.05164	0.4
255.06544	0.5
259.06216	1.1
269.04666	0.9
271.06198	0.7
279.06714	0.8
281.04602	1.9
281.08224	1.6
283.06174	4.2
284.06638	0.4
289.07428	0.4
295.06314	1.3
297.07745	1.3
300.99921	0.5
307.06140	6.7
307.09366	0.5
308.06525	0.7
311.05743	2.4
325.07245	67.0
326.07565	7.3
349.20187	0.4
359.09183	1.7
401.10382	4.3
402.10699	1.2
419.11462	67.1
420.11780	9.8
433.09512	0.7
437.08920	0.8
445.09399	0.7
445.36151	0.4
527.13580	1.3
533.92303	0.4
570.26440	0.9
571.12659	18.9
571.26984	5.7
572.12799	4.1
572.26703	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32637	0.3
59.01267	1.7
59.78875	0.3
60.24680	0.2
61.98713	0.5
65.00233	0.4
67.01758	0.7
69.03340	0.3
70.97012	0.8
71.01273	1.1
72.30653	0.3
72.99192	0.5
73.02860	0.4
74.38280	0.3
79.01795	0.3
83.01295	1.0
85.02843	1.0
88.98689	0.6
89.02385	0.4
93.03375	0.5
94.84374	0.3
95.01282	4.1
96.95927	1.9
97.02837	0.7
99.00782	0.4
101.02355	0.9
107.01310	0.8
109.02855	0.9
111.00799	1.6
113.02373	0.6
117.03396	0.8
117.36868	0.4
119.03387	0.3
119.04965	0.6
121.02800	0.3
121.06503	0.3
123.00797	8.1
123.04436	0.6
125.02368	5.7
126.02730	0.4
127.00248	0.4
129.03389	0.4
129.93329	0.3
131.04942	0.4
133.02901	0.8
133.30396	0.3
135.04462	0.4
136.98859	0.3
137.02376	2.0
139.00307	2.4
139.03899	0.3
140.01035	0.3
141.01865	0.6
145.02885	2.7
147.04474	1.1
149.02377	1.2
150.03165	0.9
151.00305	1.1
151.03978	1.0
157.02908	1.4
159.04440	0.8
161.02361	1.6
163.00334	0.7
163.03958	1.4
164.01208	0.3
165.01860	0.5
165.05510	1.2
166.99815	2.6
168.00549	0.9
169.01370	5.9
170.01793	0.5
171.01959	0.3
173.02373	3.0
175.03957	2.5
177.01895	1.3
179.03519	0.5
185.02402	4.4
186.02986	0.4
187.03978	0.8
189.01906	1.2
190.02672	1.0
191.03455	1.6
195.06491	0.6
201.01886	5.2
202.02563	0.5
203.03494	4.0
205.01430	0.6
210.25529	0.3
211.02464	0.6
213.01932	1.3
214.02728	0.4
216.00934	0.3
217.01494	1.6
218.02159	0.4
219.02998	1.4
225.11313	0.4
226.99861	0.8
227.03281	0.4
228.00630	0.9
229.01453	10.4
229.04909	0.5
230.01952	1.2
231.03008	3.1
232.34557	0.4
240.00505	0.5
245.00926	3.1
246.01472	0.6
247.02531	1.9
249.04089	0.9
254.99268	0.6
255.03119	0.6
256.03925	0.4
257.00970	8.7
258.01657	2.6
259.02615	0.6
273.00525	1.7
274.01184	2.2
275.02042	24.7
276.02295	2.1
281.04587	0.7
283.99707	4.0
285.00162	0.4
299.99194	4.1
300.99963	100.0
302.00302	8.3
302.03738	0.5
345.13474	0.3
375.14380	0.3
400.57782	0.3
403.10352	0.5
407.07666	1.3
419.10806	0.4
459.06726	0.4
527.12158	2.6
535.18469	0.8
553.11279	1.4
554.10956	0.3
570.26758	4.3
571.11047	78.8
571.25824	2.9
572.11414	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	570.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	4.7
61.98720	100.0
62.98438	0.3
63.99147	0.4
69.03325	0.3
71.01279	1.7
72.99213	0.4
73.02840	0.7
75.77433	0.3
78.95795	0.6
83.01306	0.4
84.29298	0.3
85.02840	0.5
88.98699	0.5
89.02345	1.7
89.10593	0.3
96.10236	0.3
96.95928	0.7
98.19825	0.7
99.00795	0.3
101.02363	1.3
107.04050	0.3
111.00822	0.3
113.02386	0.5
119.03419	0.5
123.00809	0.6
125.02397	4.2
136.89653	0.3
136.98799	0.3
149.02415	0.4
149.04591	0.5
161.04550	0.4
169.01382	1.3
179.05606	0.4
202.25716	0.3
281.21304	0.5
409.22409	2.6
511.25491	0.5
570.26782	0.9
571.27686	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.7
61.98716	100.0
62.98424	0.2
65.00210	0.1
71.01276	0.3
71.61841	0.1
83.01298	0.2
85.02856	0.2
87.04445	0.1
89.02330	0.1
95.01332	0.1
96.95931	0.1
100.46159	0.1
101.02356	0.2
107.01295	0.4
108.01665	0.1
109.02843	0.1
111.00777	0.1
113.02371	0.1
123.00762	0.4
125.02365	1.8
125.03246	0.1
126.02676	0.3
137.02371	0.1
139.00317	0.1
140.01053	0.1
145.02946	0.1
145.06548	0.1
151.00327	0.6
151.03911	0.1
152.00623	0.1
153.01913	0.1
164.01146	0.1
168.00534	0.2
169.01375	2.1
170.01720	0.7
171.04507	0.2
172.05022	0.1
177.01782	0.1
188.08038	0.1
211.02548	0.2
211.07578	0.2
212.02821	0.1
212.07979	0.2
213.05545	0.1
214.05885	0.1
217.01353	0.1
255.06650	1.5
256.07004	1.7
257.07315	0.2
289.07361	0.1
313.05722	1.0
314.06082	0.9
315.06137	0.1
436.11453	0.1
509.36264	0.1
510.28247	0.1
510.36240	0.4
570.13519	3.7
570.25836	0.5
571.13965	0.7
571.27631	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.0
61.98716	100.0
62.98421	0.3
63.99146	0.6
69.37222	0.9
71.01282	0.6
73.02837	0.2
74.45262	0.1
77.75012	0.1
83.01289	0.2
85.02852	0.3
87.04405	1.7
88.04742	0.4
89.02342	0.3
93.03381	0.3
95.01286	0.1
96.95934	0.1
101.02356	0.3
107.01308	0.1
113.02377	0.3
123.00802	0.2
125.02367	1.2
128.03452	0.2
135.04416	0.1
136.87581	0.1
139.00349	0.1
139.40514	0.1
140.01056	0.1
145.02904	0.1
147.04454	0.1
151.00330	0.2
168.00609	0.1
169.01390	1.4
171.07700	0.1
189.01955	0.2
190.02710	0.5
203.03539	0.1
218.02148	0.2
219.02980	0.1
255.06740	0.2
264.04254	0.1
281.08337	0.4
283.06284	0.1
301.00009	0.3
307.06592	0.1
313.05783	0.1
325.07227	1.6
401.10345	0.1
419.11475	1.1
509.36353	0.2
510.26517	1.1
510.36420	0.4
511.27539	0.2
570.26178	0.2
571.12640	0.7
571.27631	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.4
55.77428	0.2
56.02007	0.2
57.03330	0.3
58.00497	0.3
59.01265	5.8
61.98712	1.1
65.00207	0.7
67.01768	1.0
68.99698	0.3
69.03337	0.7
69.31802	1.7
69.32223	0.5
69.64307	0.2
71.01270	4.4
72.99193	0.7
73.02826	1.1
78.95839	0.2
79.01776	1.1
81.03334	0.3
81.55719	0.2
83.01271	1.2
85.02847	2.2
87.00783	0.7
88.98690	0.3
89.02328	1.8
93.03369	0.4
95.01275	1.6
96.95925	2.8
96.96862	0.3
96.99235	0.2
97.02853	1.0
99.00773	0.4
101.02344	2.6
107.01292	5.2
109.02856	0.5
109.99974	0.3
111.00791	2.2
113.02359	1.7
119.03447	0.5
119.04936	0.2
121.02840	0.3
123.00801	16.7
124.01054	0.2
124.01569	0.8
125.02368	22.5
126.02718	0.8
126.24931	0.2
127.00278	0.9
135.04436	2.2
135.07057	0.2
136.98712	1.3
137.02386	0.9
139.00316	4.4
140.01097	3.0
141.01894	2.4
143.03444	0.2
145.02910	0.5
149.02425	0.5
150.53307	0.2
151.00311	14.5
151.03972	0.6
152.00716	0.6
153.01888	0.9
154.99786	0.3
158.38196	0.2
161.02434	0.4
163.03979	0.8
165.01964	0.3
166.99808	0.4
167.03433	0.6
168.00591	3.6
169.01381	28.8
170.01701	1.4
177.01849	0.4
179.03442	0.6
181.04993	0.4
191.03482	0.3
195.02841	0.2
209.04570	0.3
211.02460	5.6
212.02715	0.3
223.02559	0.4
241.03601	0.3
253.03551	0.6
255.19608	0.3
271.04614	7.5
272.05026	0.5
281.06674	0.4
287.05649	1.9
298.06674	0.2
300.99985	0.6
313.05746	2.5
314.05853	0.2
331.06705	0.4
371.24518	5.1
372.24622	0.6
417.21594	0.3
507.23080	0.3
569.26172	100.0
570.26526	18.1
570.39447	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.5
57.03326	0.4
58.00462	0.3
59.01264	6.9
61.98424	0.5
61.98719	7.9
67.01762	1.0
69.03327	0.3
71.01273	4.7
71.60271	0.4
72.99184	1.2
73.02828	1.0
75.00756	0.3
78.95795	0.3
79.01777	1.0
81.03317	0.4
82.95305	1.4
83.01270	1.1
83.49789	0.2
85.02846	1.4
87.00752	0.6
88.98689	0.9
89.02331	2.6
95.01291	1.6
96.95905	1.0
97.02848	0.9
97.06450	0.3
99.00771	0.6
101.02346	2.6
102.87259	0.3
107.00613	0.4
107.01297	5.0
109.02877	0.4
109.99991	0.3
111.00778	1.8
113.02360	1.9
117.03321	0.3
119.03397	0.4
119.04912	0.6
121.02849	0.4
122.73524	0.2
123.00801	15.6
123.04378	0.3
124.01562	0.6
125.02368	20.7
126.02695	0.9
127.00278	1.0
136.98726	1.1
137.02354	1.0
137.09610	0.3
139.00307	4.6
140.01093	3.0
141.01854	2.1
145.02873	1.2
149.02342	0.6
151.00310	10.1
151.03946	0.7
152.00664	0.3
153.01836	0.5
155.99637	0.2
161.02298	0.4
161.04475	0.5
163.03940	0.6
165.01939	0.3
166.99811	0.4
167.03421	0.4
168.00603	3.5
169.01376	28.0
170.01686	1.6
171.10182	0.3
181.04971	0.3
193.01450	0.3
193.05045	0.4
195.02933	0.2
211.02460	4.1
212.45757	0.3
223.02521	0.4
241.03497	0.4
253.03424	0.5
271.04669	6.3
272.04807	0.4
289.07275	0.3
300.99948	0.6
313.05753	2.7
314.06009	0.3
347.22049	0.5
373.56339	0.3
509.29123	0.3
533.23920	0.4
569.26141	100.0
570.26508	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	569.262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.4
59.01265	4.3
61.98708	0.9
65.00188	0.3
67.01773	0.8
69.03339	0.4
70.70376	0.3
71.01270	3.2
72.07275	0.2
72.99204	0.6
73.02837	0.4
75.00759	0.4
76.68295	0.3
79.01784	0.8
81.03359	0.3
83.01282	0.9
85.02851	1.5
87.00772	0.3
89.02350	1.6
95.01266	1.5
96.95907	0.7
97.02851	0.8
98.20695	0.4
98.21658	0.3
101.02358	2.5
107.01299	4.5
110.00036	0.3
111.00788	1.9
113.02335	1.4
119.03442	0.3
121.02879	0.3
123.00802	14.2
123.04406	0.4
124.01581	0.8
125.02376	18.8
126.02702	1.0
127.00292	0.8
135.04358	0.3
136.98758	1.6
137.02403	0.6
139.00308	4.1
140.01086	2.7
141.01889	1.6
141.87216	0.2
145.02875	0.6
149.02405	0.4
151.00317	11.3
151.03882	0.3
152.00613	0.5
153.01849	0.8
153.78423	0.2
154.99861	0.4
161.02408	0.3
163.03958	0.7
165.01895	0.4
165.05550	0.3
166.99623	0.3
167.03503	0.2
168.00589	3.9
169.01387	25.7
170.01691	0.8
177.04037	0.5
179.03470	0.4
181.05099	0.4
181.88908	0.3
199.64079	0.3
211.02484	5.8
241.03450	0.5
253.03410	0.4
271.04666	6.9
271.14059	0.3
272.05066	0.5
301.00031	0.5
313.05728	2.2
333.27115	0.2
378.40909	0.3
401.78415	0.3
500.70615	0.3
521.21613	0.3
533.23846	0.4
539.23358	0.3
569.26172	100.0
570.26489	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	569.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.4
57.03339	0.6
58.00471	0.3
59.01269	6.6
61.98721	10.0
63.02282	1.5
65.00210	4.5
67.01777	1.2
67.34610	0.3
68.99712	0.7
69.03342	0.7
69.33389	1.0
69.33810	1.7
71.01271	7.2
72.99215	0.4
73.02831	1.2
75.00794	0.3
79.01786	0.6
81.03352	0.9
83.01283	4.7
85.02834	2.5
87.00768	0.6
87.04411	12.6
88.04733	0.4
88.98724	0.5
89.02345	2.0
95.01266	1.7
97.02867	1.3
98.19805	0.5
99.00808	0.6
101.02357	3.6
107.01298	13.6
108.02135	0.5
109.02849	0.9
111.00771	1.9
113.02365	2.3
119.05038	0.3
121.02844	0.4
123.00811	7.6
123.04425	0.4
124.01614	0.5
125.02370	46.6
126.02725	1.3
127.00324	0.5
131.01271	0.4
131.03442	0.9
133.02908	0.8
136.01575	0.6
136.98758	0.6
137.02393	0.7
139.00328	2.6
139.03893	0.3
140.01143	1.6
141.01857	1.1
141.07027	1.0
143.03407	0.6
145.02901	0.5
145.06529	5.5
149.02461	0.5
151.00313	16.3
151.03961	0.5
152.00726	0.7
153.01921	0.5
161.02380	0.3
161.04427	0.5
163.03908	0.4
164.01103	2.0
165.01831	0.4
166.99843	0.5
167.03520	0.8
167.08641	0.4
168.00604	4.1
169.01384	66.4
169.06531	3.5
170.01717	2.4
171.04485	6.4
172.05301	1.7
175.00354	0.7
177.01868	0.8
183.08167	1.4
185.06055	1.0
187.07622	3.6
193.01427	1.0
193.06512	0.5
205.01328	0.4
211.02478	6.8
211.07622	7.6
212.07976	0.7
213.05566	5.6
227.07155	1.1
233.06679	0.3
240.22261	0.3
241.03593	2.0
255.06671	82.9
256.07025	6.5
269.08206	0.4
271.04654	3.8
272.05048	0.5
279.06653	3.1
280.06952	0.4
297.07748	1.0
313.05728	49.7
314.06113	3.9
321.07904	0.5
327.08768	0.3
421.20895	1.2
508.35657	2.6
509.26187	7.7
509.35513	0.6
510.26355	0.7
568.24908	0.7
569.13147	100.0
569.25769	5.8
570.13464	19.6
570.27338	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.0
61.98717	100.0
62.98414	0.1
71.01292	0.5
71.33060	0.2
71.99838	0.1
73.02845	0.2
82.62177	0.1
83.01278	0.1
85.02866	0.2
87.04414	1.2
89.02338	0.2
101.02364	0.3
111.00793	0.1
113.02367	0.2
114.40758	0.1
117.47956	0.1
125.02390	0.2
161.04456	0.1
169.01390	0.2
172.59760	0.1
271.13184	0.1
415.72339	0.1
507.35339	0.2
508.35580	1.2
509.26108	0.7
509.33124	0.1
509.36255	0.1
568.25562	0.2
569.26471	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48943	0.1
59.01263	0.5
61.98717	100.0
62.98433	0.2
62.99150	0.1
71.01292	0.3
71.11176	0.2
87.77544	0.1
89.02351	0.1
128.77249	0.1
138.97148	0.1
143.18109	0.1
148.88991	0.1
180.41118	0.1
401.25696	0.1
407.21146	0.2
508.35336	0.5
516.30988	0.1
569.25867	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64007	0.1
58.26377	0.1
58.92768	0.1
59.01264	0.9
60.53737	0.1
61.98718	100.0
62.98421	0.2
70.37067	0.1
70.37448	0.2
71.01282	0.4
85.02860	0.1
88.98696	0.2
89.02336	0.2
101.02374	0.3
113.02348	0.2
119.13265	0.1
123.00811	0.2
125.02377	0.4
169.01437	0.3
181.06340	0.1
191.38095	0.1
255.06822	0.2
433.61890	0.1
473.51904	0.1
508.35489	0.4
568.24481	0.5
569.13428	0.1
569.25433	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.4
61.98719	100.0
62.27824	0.1
62.98427	0.1
71.01293	0.1
71.25451	0.1
73.02853	0.1
111.00833	0.2
120.10942	0.1
123.00827	0.4
125.02382	0.6
140.01067	0.2
143.41670	0.1
151.00279	0.3
161.26196	0.1
168.00626	0.3
169.01367	0.9
208.49704	0.1
227.74966	0.1
230.37326	0.2
240.95882	0.1
299.98462	0.2
301.00214	0.3
313.00067	0.3
314.00430	0.3
315.00540	0.4
316.00665	0.2
328.02393	0.2
329.02698	0.3
330.02847	0.4
331.03290	0.3
343.04691	0.5
344.04962	0.5
345.05185	0.7
346.05447	0.6
567.24390	0.9
568.15106	0.2
568.25122	1.0
569.04846	0.1
569.14569	0.2
569.24243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40733	0.3
54.19889	0.3
55.01765	1.4
57.03337	1.5
58.00484	0.4
59.01266	22.6
60.01579	0.4
61.98718	100.0
62.98727	0.3
69.03337	0.4
69.32991	0.4
69.33273	0.6
69.33678	2.4
71.01274	12.4
72.01627	0.4
72.99202	0.7
73.02834	5.4
83.01286	2.8
85.02843	7.4
86.03199	0.3
87.00782	1.1
89.02334	1.7
95.01303	1.1
97.02860	0.3
98.20544	0.6
99.00796	2.0
101.02352	10.4
101.03008	0.6
102.02645	0.4
111.00808	1.2
113.02365	4.9
123.00745	0.4
125.02383	1.2
129.01878	0.5
142.49902	0.3
157.08099	0.3
159.02971	1.3
161.04521	2.8
169.01404	0.7
207.98303	0.4
249.19089	0.3
299.26013	0.6
303.99777	0.3
345.30090	2.5
346.30365	0.4
381.94614	0.3
506.34314	0.8
507.35437	51.5
508.35806	7.6
567.24774	2.0
568.24622	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84929	0.3
57.03337	0.7
59.01266	9.7
61.98717	3.1
65.00210	0.6
67.01771	1.0
68.99706	0.6
69.03333	1.0
69.26826	0.8
69.27225	3.0
71.01272	4.8
72.99188	1.3
73.02823	0.9
75.00761	3.9
79.01778	0.7
83.01272	1.1
85.02854	2.8
87.00768	0.7
88.98688	0.8
89.02350	1.9
93.03371	0.6
95.01289	1.3
96.95912	1.2
97.02863	1.5
99.00769	1.0
101.02368	2.4
107.01299	5.8
107.49150	0.3
109.02874	1.2
110.00030	0.8
111.00769	3.3
113.02357	1.2
115.03899	0.3
119.03363	0.4
119.04936	0.8
121.02863	0.5
123.00806	9.1
123.04436	0.5
124.01587	1.6
125.02367	30.2
126.02675	1.0
127.00320	1.5
129.01871	0.9
129.03371	0.3
133.02866	0.3
136.01572	0.5
136.98759	2.2
137.02368	1.1
139.00304	4.6
140.01091	5.8
141.01910	1.5
145.02899	1.3
150.03142	0.5
151.00307	6.2
151.03899	1.5
153.01906	0.9
154.99788	0.5
159.02983	1.1
161.02374	0.7
163.00246	0.7
163.03978	1.0
164.01112	0.6
165.01912	1.0
166.99838	0.9
168.00603	10.0
169.01378	50.6
170.01701	2.0
177.01854	0.7
177.02161	0.6
177.04010	15.3
178.04388	0.5
179.03470	3.5
180.03940	0.4
190.75441	0.3
194.05774	0.5
205.04971	0.4
207.10228	0.8
211.02467	7.2
212.02853	0.4
217.01295	0.5
219.02788	0.4
235.06076	0.8
237.28160	0.4
239.12740	0.7
241.03539	0.4
265.07321	0.7
271.04590	4.5
283.01334	0.4
289.07214	0.7
297.06250	2.1
299.99030	0.5
300.99973	2.0
313.05682	2.2
317.06714	0.4
325.09503	0.7
328.13315	1.2
329.05234	3.4
345.17062	0.8
374.03125	3.2
406.05786	0.5
521.33789	0.6
537.21887	1.7
552.20428	0.4
567.24597	100.0
568.11523	4.7
568.24872	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	567.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75951	0.2
52.59573	0.3
53.84293	0.3
57.03336	3.9
59.01262	1.8
62.69505	0.3
65.00214	1.2
67.74926	0.3
69.03338	0.5
69.37806	2.1
69.38218	0.7
71.01270	1.7
73.02851	0.3
81.03351	10.2
82.03668	0.4
83.01276	4.1
87.00798	0.3
89.02358	1.6
93.03354	7.9
95.01284	0.7
95.04925	0.7
96.95911	0.4
97.02858	0.7
99.00777	0.3
101.02314	0.7
107.01289	1.5
108.02069	0.3
109.02861	0.9
111.00787	0.4
111.04459	0.5
113.02390	0.4
116.92786	0.3
117.03382	0.3
119.04941	11.1
120.05328	0.4
121.02906	0.5
123.00819	0.8
123.04443	32.9
124.04762	1.3
125.02368	36.6
126.02728	1.0
135.04451	1.5
137.02357	1.4
139.00320	0.5
139.04054	0.4
145.02893	0.4
147.04453	0.6
149.02385	3.8
151.00285	3.0
151.03960	1.3
161.02394	1.3
163.00330	0.9
163.03981	0.9
164.00983	0.4
165.01898	0.6
165.05493	0.3
167.03450	89.8
168.03783	4.4
169.01370	1.7
169.06650	0.4
177.01939	0.6
179.03462	9.2
179.05222	0.6
180.03935	0.5
187.07646	0.7
189.01923	0.6
189.05481	2.2
191.03488	2.7
211.07545	0.5
217.01367	0.5
229.04936	0.3
229.08679	0.9
243.03156	0.4
255.06627	0.8
269.08310	0.3
273.07748	100.0
274.08093	8.0
275.02087	0.5
297.07840	2.0
300.99942	1.7
407.08148	0.3
419.12186	3.5
420.12103	0.4
435.10742	0.5
567.17255	45.2
568.17664	8.0
568.26416	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	5.6
61.98719	100.0
69.57978	0.3
71.01271	1.8
83.01290	0.3
85.02840	0.7
89.02343	1.4
96.67967	0.3
96.95918	0.4
98.19732	0.6
101.02360	1.2
109.02850	0.4
113.02381	0.8
119.03435	0.9
123.00799	0.8
124.35452	0.3
125.02338	2.0
137.02397	0.5
139.00385	0.5
151.03958	0.4
152.04349	0.3
161.02324	0.4
161.04543	0.4
169.01439	1.5
185.30486	0.3
187.07690	0.4
187.11067	0.4
214.22813	0.3
237.30505	0.3
244.30251	0.3
289.07211	0.6
313.05743	0.4
459.81909	0.3
461.70734	0.3
506.34052	0.7
567.24432	3.0
567.34955	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.6
56.64923	0.3
57.03345	1.2
59.01268	15.7
61.98720	19.4
65.00220	0.5
67.01775	1.2
68.30322	0.3
68.99725	0.5
69.03337	1.1
69.82829	1.9
71.01272	9.2
72.01624	0.4
72.99219	1.5
73.02835	2.6
75.00767	0.4
79.01784	1.0
81.03345	0.8
81.80188	0.3
82.44640	0.3
83.01275	2.8
84.65060	0.3
85.02842	4.1
87.00792	1.0
88.98735	0.3
89.02345	3.2
95.01276	3.1
96.95882	0.5
97.02838	1.7
99.00779	1.3
101.02345	7.2
102.02747	0.4
107.01299	8.3
109.02856	0.8
110.00011	0.5
111.00795	4.6
113.02361	3.2
117.03384	0.4
119.03452	0.7
121.02837	0.3
123.00802	15.9
123.04443	0.5
124.01597	2.1
125.02370	40.8
126.02725	1.4
127.00293	1.2
129.53067	0.3
134.66858	0.3
136.98732	2.5
137.02382	0.9
139.00290	6.7
139.03853	0.4
140.01103	6.0
141.01848	2.2
143.03453	0.8
145.02919	0.6
148.57568	0.3
149.02342	0.6
151.00308	10.0
151.03992	0.7
152.00682	0.5
153.01865	1.4
154.99820	0.6
155.10759	0.3
159.02974	0.6
161.02374	0.9
161.04503	1.8
163.00346	0.4
163.03969	0.7
163.34126	0.3
165.01901	0.7
166.99796	0.7
168.00601	9.3
169.01384	46.9
170.01694	2.1
175.03981	0.9
177.01985	0.3
177.04004	0.6
179.03355	0.3
179.05542	0.3
181.05032	0.4
187.55872	0.3
189.02028	0.5
191.03494	0.7
193.01373	0.5
193.05078	0.8
211.02460	3.3
237.04089	1.0
271.04626	2.1
295.04712	0.4
297.72113	0.3
300.99951	2.0
313.05765	1.5
345.30164	0.7
358.27002	0.4
381.15781	0.5
397.15140	6.9
398.00702	0.3
398.15350	0.8
415.16208	21.1
416.16553	2.0
444.52478	0.3
505.34259	0.4
506.34253	4.0
507.22934	0.7
507.35458	21.2
508.35886	0.8
528.66919	0.4
567.17316	100.0
567.24915	24.4
568.17529	14.9
568.25214	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.8
57.03330	1.6
58.00477	1.3
59.01266	70.9
61.98728	4.9
69.39547	7.9
71.01275	44.0
72.01604	0.9
72.99208	2.0
73.02849	9.2
83.01280	3.8
85.02845	15.9
85.47282	0.9
87.00780	2.4
89.02339	30.6
93.06991	1.6
95.01289	2.7
99.00803	3.1
101.02352	28.7
111.00816	1.0
113.02361	18.2
119.03432	16.0
125.02370	2.5
131.03412	1.7
143.03465	2.5
159.02980	2.2
161.04494	14.9
161.05817	0.9
163.04060	0.9
169.01433	1.3
179.05598	8.9
193.11935	0.8
213.18634	2.9
268.02271	0.8
343.28546	8.1
344.28992	1.1
387.51953	0.9
444.32681	0.9
457.89722	1.1
505.33966	100.0
506.34326	19.5
548.76947	0.9
565.22931	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	565.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	1.5
57.00090	0.5
57.03355	1.4
58.00469	1.8
59.01266	46.9
61.98724	4.5
65.95538	0.6
67.01745	0.7
69.03346	1.3
71.01270	38.2
71.59768	1.0
72.01612	0.8
72.99194	2.5
73.02840	7.9
75.00740	1.1
78.95788	1.6
79.01807	0.5
81.03362	0.6
83.01273	4.3
85.02855	10.5
87.00784	3.9
89.02343	35.8
93.03395	0.8
95.01283	2.7
96.95905	2.0
96.96863	0.7
97.02843	1.8
99.00769	2.8
99.04408	0.7
101.02350	28.0
107.01287	5.3
109.02844	1.5
111.00814	4.8
113.02358	11.7
113.36894	0.6
115.03883	1.0
116.92796	1.2
117.03345	0.6
119.03432	5.6
119.04861	1.0
120.13778	0.5
120.24490	0.6
121.02851	1.9
123.00822	5.0
123.04368	1.0
124.01604	0.8
125.02374	25.2
126.02724	1.2
131.03439	15.3
133.02858	0.7
135.04364	1.0
136.98718	0.7
137.02397	2.0
139.00317	2.0
140.01108	1.9
143.03416	1.4
145.02878	1.9
147.04340	0.7
149.02446	0.9
149.04472	9.6
151.00296	2.8
151.03946	1.5
159.02913	1.3
160.01627	0.9
161.02377	1.4
161.04500	4.5
161.58902	0.6
163.00270	0.8
163.03975	1.4
164.01073	1.5
165.01846	1.1
166.99799	0.8
168.00572	2.5
169.01385	20.7
170.01643	1.4
173.02431	0.8
175.03987	1.4
177.01863	1.2
179.05589	0.9
189.01894	1.1
191.03812	0.9
191.05563	5.6
193.01520	1.0
201.02051	0.7
201.11345	0.8
211.02467	2.0
211.16891	1.0
217.01442	0.8
229.01363	0.8
231.02794	0.8
233.06645	1.5
257.00916	1.0
269.04916	0.8
269.98193	1.3
270.98749	0.9
271.04642	1.9
275.02127	1.3
283.99832	0.6
285.00415	2.7
289.07275	1.4
293.08734	1.3
297.97614	9.2
298.98254	1.3
300.99957	9.2
302.00177	3.0
312.99951	18.9
313.05731	1.3
314.00449	2.2
323.05603	0.8
328.02332	18.5
329.02780	4.3
343.04669	32.0
344.05035	3.5
355.12177	0.7
373.22375	9.2
373.26572	1.2
374.22800	0.9
413.14810	5.9
424.00885	0.7
454.63974	0.8
462.54651	0.9
476.04214	1.9
476.54443	1.8
489.12125	0.9
505.26688	100.0
506.26950	12.9
565.15521	5.9
565.23151	13.5
566.15637	1.4
566.23505	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	565.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01598	1.0
61.98723	0.5
63.15974	0.2
69.55917	1.7
71.01267	1.7
72.99237	0.3
73.02859	0.2
75.00771	0.4
76.39491	0.2
83.01293	0.4
85.02864	0.9
89.02362	0.9
96.95922	0.7
98.19836	0.5
99.00819	0.3
101.02346	1.3
107.01306	0.5
109.02895	0.4
113.02380	0.7
116.92788	0.3
119.03441	0.2
121.02916	0.2
123.00799	1.1
123.04453	0.4
125.02364	3.0
126.02743	0.5
134.22336	0.2
135.04462	0.2
137.02423	0.4
139.00282	0.5
140.01189	0.3
146.22968	0.2
151.00311	0.3
151.03951	0.3
166.99860	0.2
168.00574	0.5
169.01372	3.0
170.01759	0.7
175.03955	0.3
187.04169	0.2
188.97298	0.2
191.03590	0.3
191.05659	0.2
211.02521	0.5
214.00368	0.3
239.03587	0.2
269.08234	1.3
271.04733	0.4
283.09918	0.6
299.09393	1.1
301.00021	0.4
311.09320	1.9
314.11697	2.7
315.12234	0.2
326.11639	1.4
327.12210	0.3
329.10019	0.5
329.13992	10.3
330.14444	1.3
341.13986	6.4
341.17770	0.3
342.14380	0.5
363.52689	0.3
386.64905	0.3
413.13422	0.4
457.20782	0.3
467.67929	0.4
505.26599	0.5
521.26196	0.5
565.14362	3.8
565.23181	2.8
566.14655	0.5
566.23175	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
59.96658	0.1
60.01604	1.4
70.52050	0.3
74.58012	0.1
85.02859	0.1
96.95918	0.3
98.20398	0.1
121.02888	0.2
123.00843	0.2
125.02388	0.2
148.10219	0.1
169.01404	0.4
181.01511	0.1
211.02504	0.2
221.28123	0.1
232.05505	0.1
255.10350	0.2
269.08243	1.2
270.08612	0.1
271.04584	0.2
271.09668	0.1
281.08353	0.2
283.09787	0.4
295.09827	0.1
299.09329	1.0
301.00168	0.1
311.09323	1.1
311.12350	0.1
312.09723	0.2
314.11639	2.1
315.12048	0.2
325.11047	0.2
326.11673	1.2
329.14017	6.5
330.14410	0.8
341.14032	3.5
342.14496	0.3
359.15308	0.1
565.23505	0.4
584.27289	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	565.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.5
56.31111	0.2
59.01263	6.1
60.99188	0.7
61.98718	4.0
65.00198	0.3
67.01765	1.2
68.99703	0.5
69.03345	1.1
69.26721	1.0
69.27142	1.9
71.01270	3.2
72.99191	0.8
73.02831	0.4
75.00788	0.3
75.11131	0.2
79.01792	1.0
81.03355	0.5
83.01287	1.0
85.02859	1.0
87.00791	0.9
88.98697	5.4
89.02341	3.2
93.41499	0.3
95.01286	2.7
96.95914	0.5
97.02851	1.1
98.20586	0.6
99.00788	0.5
99.53501	0.3
101.02339	1.8
107.01298	8.2
109.02893	0.6
110.00050	0.4
111.00784	4.4
113.02348	1.3
116.92750	0.4
119.03469	0.4
123.00802	15.0
124.01616	2.6
125.02367	41.1
126.02677	1.2
127.00267	1.3
133.02901	0.3
136.98715	2.6
137.02345	0.7
139.00299	5.1
139.03947	0.4
140.01096	5.0
141.01917	1.6
145.02908	0.7
148.04019	0.2
149.02303	0.5
151.00307	7.4
151.03934	0.4
153.01877	1.0
154.99806	0.4
160.01657	0.3
161.02292	0.4
161.04492	0.6
163.03996	0.4
165.01860	0.5
166.99789	0.9
168.00594	8.1
169.01378	43.7
170.01709	1.5
175.03929	0.6
177.01999	0.3
177.05780	0.3
179.03410	0.4
181.01361	0.3
181.04935	0.3
191.03525	0.4
193.01416	0.5
193.05046	0.6
207.03018	0.3
211.02481	2.5
223.02490	0.3
237.04134	0.6
259.08432	0.2
271.04572	1.7
295.04520	0.6
300.99936	1.7
313.05722	1.3
315.02206	0.3
328.02426	0.4
343.04553	0.6
369.15598	0.4
379.14246	0.7
395.13489	5.9
396.13821	0.7
413.14597	19.5
414.14935	1.5
452.03180	0.4
466.03061	0.5
487.32843	0.4
505.26215	0.7
505.33984	1.8
533.06445	0.3
565.15717	100.0
566.16071	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	565.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95419	0.3
55.01775	0.4
57.97725	0.3
58.00467	0.4
58.32672	0.3
59.01267	5.7
61.98722	3.5
65.00228	0.5
66.88147	0.3
67.01782	1.9
68.99721	0.7
69.03348	1.6
69.03687	0.4
71.01276	4.6
71.61649	0.4
72.99198	1.2
73.02852	0.7
78.95819	0.8
79.01801	1.0
81.03364	0.8
83.01299	1.2
85.02853	1.4
87.00786	0.9
88.98713	0.4
89.02348	2.1
91.82915	0.3
93.03378	0.5
95.01292	3.2
96.95917	4.3
96.99223	0.4
97.02841	1.5
98.95495	3.1
98.96371	0.8
99.00786	0.8
101.02355	2.5
107.01308	8.1
109.02882	0.8
110.00009	0.6
111.00799	4.6
113.02384	1.4
116.92780	1.2
117.03351	0.3
119.03422	0.4
119.04935	0.4
121.02881	0.5
123.00813	18.1
123.04424	0.6
124.01649	3.1
125.02376	44.3
126.02711	1.8
127.00297	1.3
131.03459	0.3
134.03711	0.5
135.04454	0.4
136.98764	3.1
137.02386	1.3
139.00299	7.4
139.03975	0.6
140.01109	6.8
141.01910	2.0
145.02866	0.9
149.02434	0.8
151.00310	8.5
151.03964	0.6
153.01888	1.2
154.99831	0.6
160.01605	1.1
161.02353	0.8
161.04472	0.8
163.03958	0.9
164.01085	0.4
165.01915	0.9
166.02676	0.4
166.99806	1.3
167.03447	0.4
168.00607	10.6
169.01393	49.8
170.01715	1.6
175.04016	1.2
176.04279	0.5
177.01872	0.6
179.03462	0.5
181.01414	0.5
181.04990	0.3
189.01819	0.6
193.01364	1.0
193.04926	0.4
201.11548	0.4
211.02461	3.9
227.07352	0.4
255.97386	0.3
271.04675	1.4
289.07230	0.5
295.04788	0.4
297.06390	1.7
297.97577	0.7
300.99982	1.5
302.00180	0.7
303.00433	0.5
313.00000	1.2
313.05731	2.7
314.06412	0.4
328.02417	1.3
329.23523	1.1
343.04645	2.7
344.05057	0.5
395.13513	3.8
413.14691	11.7
414.15088	1.2
465.07538	0.4
473.27347	0.4
505.26642	1.8
505.33508	0.4
565.15723	100.0
565.23187	6.4
566.16077	19.6
566.23022	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	5.4
60.01598	0.3
61.01697	0.3
61.98719	100.0
65.68192	0.2
67.37933	0.2
69.33600	1.7
70.04996	0.2
71.01276	0.7
73.02803	0.2
75.00764	0.2
78.95818	0.3
80.91605	0.4
82.32686	0.2
82.46824	0.2
87.00777	0.5
89.02332	0.4
89.30164	0.2
96.95930	0.3
101.02356	0.5
123.00782	0.2
125.02395	0.5
161.04536	0.2
169.01366	0.4
181.05159	0.3
183.80215	0.2
196.92595	0.2
222.12325	0.2
275.27719	0.2
292.31021	0.2
301.00040	0.4
313.00009	0.2
342.27237	0.3
343.04803	0.4
503.32199	0.3
504.32513	2.1
564.29578	0.2
565.26660	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32729	0.3
59.01268	15.9
61.37778	0.3
67.79090	0.3
69.74526	0.3
70.61092	1.1
119.03397	0.3
125.02364	0.4
152.47072	0.3
169.01324	1.0
185.01114	0.3
226.99860	0.5
254.99345	0.9
257.00900	0.9
269.98065	5.4
270.98779	1.0
285.00485	7.0
286.00848	1.3
297.04095	0.6
297.97617	23.8
298.98178	3.1
299.01804	0.8
308.74530	0.4
312.99979	47.9
314.00522	6.2
327.01495	1.0
328.02313	58.5
329.02921	10.5
330.03488	0.6
338.00812	1.2
341.03165	1.0
343.04666	100.0
344.04974	10.2
353.03073	2.9
385.05832	0.6
395.39932	0.3
413.14484	1.1
491.08276	0.8
565.15924	1.7
565.23730	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64541	0.3
55.01762	0.4
57.03339	0.5
59.01266	66.6
61.98715	0.7
65.00187	0.3
67.01784	0.9
67.72874	0.3
68.99715	0.5
69.03350	1.2
71.01268	5.8
72.99216	1.3
73.02856	0.8
75.00761	0.7
79.01800	0.9
79.20692	0.3
81.03355	0.4
83.01283	1.1
85.02846	2.4
87.00788	1.3
89.02358	1.7
93.03378	0.5
95.01283	2.6
95.04987	0.3
96.95922	0.8
96.99223	0.3
97.02853	1.7
99.00755	0.8
101.02342	3.5
107.00549	0.4
107.01294	8.5
107.21196	0.3
109.02875	1.2
109.99992	0.5
111.00792	2.9
112.27547	0.3
113.02364	1.9
113.69901	0.4
115.01643	0.3
116.92757	0.4
117.03390	0.3
119.03452	0.6
119.05000	0.4
121.02861	0.6
123.00806	14.4
123.04402	0.6
124.01644	2.0
125.02368	42.5
126.02728	1.5
127.00327	0.7
134.06096	0.4
135.04414	0.4
136.98750	1.3
137.01489	0.4
137.02400	1.4
139.00299	4.9
139.03894	0.5
140.01114	3.4
143.03445	0.7
145.02927	1.0
149.02411	0.9
151.00314	9.2
151.03947	1.2
153.01883	1.4
161.02380	1.0
161.04518	1.2
163.03969	1.1
165.01910	0.7
166.99835	1.3
167.03477	0.6
168.00612	6.2
169.01381	53.9
170.01735	2.4
175.04044	1.2
175.44081	0.3
177.01894	0.7
179.03429	1.2
181.01398	0.6
185.71100	0.4
191.03424	0.9
193.01419	1.2
193.05031	0.5
203.03517	0.5
205.01331	0.3
205.05016	0.5
207.02974	0.4
211.02467	2.5
217.01424	0.4
221.04549	0.6
223.02470	0.6
235.02419	0.4
237.04010	1.0
253.03517	0.9
269.08307	1.2
271.04575	0.7
279.02383	0.3
295.04623	4.8
296.05008	0.6
299.09354	0.8
301.00003	0.9
302.00488	0.3
311.09177	1.3
313.05713	5.8
314.06024	0.7
314.11591	2.1
326.11697	0.9
329.14011	7.7
337.77014	0.3
341.14005	4.1
371.21179	0.5
378.11969	1.0
394.11499	9.3
395.11786	1.0
395.17157	0.4
412.12552	9.9
413.13062	1.3
465.06693	1.1
488.00690	0.4
503.24875	1.1
504.25269	0.9
564.13684	100.0
565.14063	17.1
565.22681	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	564.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01279	6.1
59.52457	1.0
67.01770	2.0
71.01266	5.7
71.21736	1.0
71.22090	2.4
75.00748	1.2
81.03345	0.9
82.02894	13.4
83.01273	1.7
85.02850	4.1
89.93880	0.9
91.01799	1.3
93.03386	3.4
95.01285	3.3
96.95928	2.1
99.00790	7.6
101.02340	3.0
103.05461	2.0
105.03388	4.4
107.01294	2.6
107.04987	1.0
108.02052	1.5
109.02877	4.1
111.00800	5.3
113.02374	1.9
115.05444	2.4
119.01311	3.2
119.04975	6.7
121.02885	4.8
121.06496	1.4
123.00787	5.2
123.04440	2.8
124.01591	1.9
125.02379	9.8
126.02750	1.1
127.00282	1.2
131.04948	5.8
133.02866	3.9
133.06526	2.8
135.00800	2.7
135.04443	2.3
136.02980	1.1
136.03983	1.4
137.02371	10.2
138.02960	1.2
139.00294	2.7
145.02881	3.2
146.03598	2.2
147.00824	4.8
147.04463	16.8
148.01604	3.1
149.02394	18.8
149.06026	4.9
150.03139	2.0
151.00279	2.0
151.03963	6.3
157.02834	1.9
158.03645	1.9
159.00883	1.4
159.04443	17.3
160.01656	1.4
161.02379	6.0
161.06056	2.8
162.03186	4.9
163.00302	9.9
163.03964	12.2
164.01093	2.3
165.01881	6.7
165.03026	1.1
166.02484	1.2
166.99821	2.9
167.03423	1.9
169.01372	9.1
173.02399	4.2
174.03146	3.1
175.00343	3.5
175.03973	60.4
176.01158	1.3
176.04691	5.1
177.01909	26.5
177.05515	12.8
178.02475	1.4
179.06975	1.1
181.01434	2.2
185.02408	3.2
186.03174	1.6
187.03995	10.3
189.01930	5.2
190.02689	7.2
190.99825	6.3
191.03487	17.7
192.00572	3.6
192.03897	1.3
193.01407	38.5
193.05017	4.3
194.01772	3.1
195.02962	2.7
201.01909	5.5
202.02702	2.0
203.03487	100.0
204.04025	8.4
205.01472	8.3
205.05061	23.9
206.05296	1.5
207.03099	1.2
209.00996	1.7
213.01947	2.3
216.00708	3.4
217.01421	2.0
218.01993	1.4
219.02985	13.1
220.03720	8.6
221.00983	6.2
221.04553	11.9
229.01433	18.6
230.00133	1.0
230.02110	7.6
231.03015	86.6
232.03293	6.3
233.00917	2.8
241.05103	1.8
245.00909	2.5
246.01610	1.5
247.02512	68.9
248.02972	5.5
249.04083	19.4
257.00967	9.5
258.01276	1.2
263.02036	4.5
265.03610	4.1
270.07870	1.4
273.00476	2.3
275.02045	97.7
276.02347	6.9
286.07135	1.3
289.07327	1.9
291.01508	4.5
291.07712	1.2
292.07889	1.1
293.03101	9.0
296.05695	14.7
297.06195	1.6
300.99979	4.4
312.05115	3.0
313.05606	1.3
314.06808	2.3
319.01053	17.5
330.49796	1.2
331.71832	1.0
340.04654	27.4
341.05066	3.9
345.49310	1.1
356.07870	3.8
358.05692	8.8
382.05933	1.3
393.08450	1.6
396.09442	5.7
400.06839	22.0
401.07162	3.2
409.07843	3.6
420.09457	12.6
421.09705	1.2
438.10339	1.8
448.08890	4.2
460.09113	5.9
464.08401	2.3
476.12070	20.6
477.12656	1.9
481.06284	1.2
490.10321	1.2
492.11658	32.9
493.11942	4.2
502.09799	5.1
504.21771	1.4
518.09491	2.7
520.11096	39.1
521.11279	7.0
536.10547	36.4
537.11243	5.0
546.08643	1.6
564.10040	53.0
565.10309	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	563.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.5
55.54184	0.2
55.69501	0.2
57.03348	0.9
57.37496	0.2
58.00500	0.3
59.01267	100.0
60.01609	1.3
61.98721	10.4
63.98428	0.3
67.09481	0.3
69.03360	0.5
70.67706	0.6
71.01273	12.4
71.01669	0.6
72.99223	1.0
73.02850	2.5
75.00771	0.9
77.05395	0.2
81.03342	0.4
83.01280	1.8
83.04913	0.5
85.02850	3.8
87.00797	0.9
89.02357	1.9
95.01311	0.8
97.02860	0.3
99.00803	1.0
99.04494	0.3
101.02351	5.6
101.03004	0.4
111.00819	0.4
112.80520	0.3
113.02350	3.2
119.03436	0.4
123.00814	0.5
125.02375	2.0
145.02975	0.7
153.83275	0.3
159.03069	0.4
161.04549	1.4
166.78160	0.3
169.01440	1.2
177.32362	0.3
313.23965	1.5
341.27078	3.5
342.27423	0.4
357.22934	2.9
357.26422	0.3
359.28091	4.5
359.32166	0.4
360.28409	0.5
475.29498	0.9
485.31741	0.3
503.32678	59.4
504.22211	0.4
504.32990	9.0
563.25092	2.0
564.25897	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01605	1.2
61.98717	16.3
62.29527	0.5
71.01265	4.7
71.60413	0.8
72.99217	1.0
73.02859	1.0
75.00768	2.1
83.01279	0.5
83.04906	0.5
85.02847	1.7
87.14162	0.4
89.02338	2.3
95.01331	0.5
96.55172	0.4
96.95895	3.7
101.02329	3.1
113.02373	1.5
119.03456	1.0
125.02405	0.7
152.00551	0.5
161.04640	0.5
167.29366	0.5
169.01430	0.6
323.26215	1.8
325.27530	10.3
326.28101	0.9
341.27066	3.7
377.23923	0.5
380.13913	0.5
383.44388	0.5
474.81052	0.5
485.33182	0.5
503.32458	47.8
504.32730	6.9
563.04956	0.5
563.28973	2.3
564.29852	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18390	0.5
55.01749	1.8
55.08511	0.6
57.03325	2.7
59.01266	51.7
60.01590	1.1
61.98718	19.0
67.98792	0.6
69.03345	0.9
71.01270	33.5
71.60525	1.3
72.99189	1.6
73.02838	13.9
75.00744	1.8
78.95766	0.7
83.01281	8.9
85.02841	17.3
86.03143	0.6
87.00764	1.6
89.02341	5.1
95.01292	2.9
96.95927	2.9
96.96838	0.7
97.02843	1.5
97.50528	0.6
98.00242	0.6
99.00771	5.2
101.02348	35.2
103.03897	2.0
111.00774	0.7
113.02354	15.0
119.03389	1.7
123.00773	0.9
125.02404	3.8
131.03412	0.7
138.84441	0.6
143.03448	2.8
145.02875	1.5
145.04973	0.7
159.02930	2.7
161.04504	12.1
163.05948	0.7
169.01337	1.8
171.10240	0.6
187.57582	0.7
229.07065	0.8
247.08189	1.2
275.92841	0.6
300.99936	0.7
341.26862	1.1
357.22910	26.2
358.23438	2.8
462.07205	0.8
485.71829	0.7
503.28598	100.0
504.22275	1.2
504.29053	18.6
547.27692	1.1
563.24414	1.2
563.30695	0.9
563.38159	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
60.01598	1.6
61.98722	21.3
67.40025	0.7
71.01273	10.0
71.58776	1.0
73.02836	2.6
75.00764	1.4
78.95792	0.7
83.01279	1.6
83.04892	1.5
85.02878	2.3
89.02343	6.4
95.01308	0.8
96.95908	5.6
101.02368	6.2
109.06541	1.9
113.02383	5.4
119.03442	2.3
125.02380	1.5
143.03377	0.8
161.04579	4.0
163.11241	1.1
163.17487	0.7
179.05615	0.8
181.14940	0.6
207.10243	3.3
209.11795	7.3
225.11462	2.8
227.12891	1.0
299.14844	0.7
341.27118	3.6
383.28009	1.1
389.72784	0.6
390.94855	0.6
402.50732	0.7
473.25290	0.7
475.29111	1.3
503.32446	48.6
504.32581	6.7
563.28912	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	562.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.7
57.03336	0.7
59.01269	4.3
60.92653	0.5
61.98719	7.4
67.01769	0.9
69.03371	0.7
69.51831	0.5
71.01262	5.1
71.61374	0.8
71.61713	0.6
72.99205	0.7
73.02837	1.4
75.51936	0.6
79.01776	1.6
83.01276	1.6
85.02840	2.5
87.00782	1.2
89.02321	2.3
93.03368	1.0
93.07585	0.7
95.01286	2.5
96.95906	4.6
97.02826	0.9
101.02338	4.0
107.01301	4.1
109.02848	2.3
111.00790	3.1
113.02361	2.1
121.02804	0.8
123.00806	15.9
124.01556	0.6
125.02370	19.2
126.02715	1.2
127.00317	1.3
130.49861	0.6
136.98726	1.5
137.02402	3.9
138.02768	0.6
139.00310	3.8
140.01111	3.0
141.01881	2.1
149.05974	0.6
151.00319	10.7
151.03917	1.4
153.01843	1.3
159.04335	0.8
161.02411	1.4
163.00323	0.9
163.03970	1.0
164.01105	1.1
166.99782	0.9
168.00604	3.6
169.01395	20.6
170.01732	1.0
177.01857	0.7
179.03448	1.3
185.11754	1.0
191.05611	1.4
206.11952	0.6
211.02435	1.1
215.17786	0.7
229.01282	1.3
247.02545	1.0
269.04596	1.8
275.01984	1.5
289.07245	0.9
290.07657	1.2
300.02710	0.7
301.00049	7.1
302.00287	0.8
313.05432	1.0
346.59097	0.6
347.17123	4.6
391.03726	0.6
408.08411	0.7
447.09607	0.7
499.18353	100.0
500.18701	13.9
503.25076	1.3
525.23230	1.1
526.24170	1.5
562.12573	3.7
562.23126	0.7
563.13123	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27987	1.4
57.03350	1.6
60.26232	1.5
65.24804	1.2
67.01767	1.4
69.68467	4.4
69.68879	4.3
71.01280	3.6
77.16373	1.2
81.03379	2.1
82.02883	5.4
85.02860	2.3
93.03361	3.0
95.01284	3.6
95.04919	2.4
96.95912	4.3
97.02872	2.2
97.28815	1.3
99.00787	1.5
107.04984	1.8
109.02874	9.4
111.00809	2.3
113.02369	1.6
117.03373	5.5
119.01308	1.8
121.02890	4.1
123.00829	3.4
123.04439	5.7
125.02374	20.1
126.02763	1.9
128.92926	1.2
132.02057	1.8
133.02924	6.8
135.04472	3.2
137.02359	10.0
137.40086	1.5
138.02745	1.7
139.00308	4.1
145.02913	12.4
147.04448	3.9
149.02440	6.5
151.00325	1.7
151.03941	3.3
157.02834	1.5
158.03624	1.5
159.00804	2.3
159.04437	2.5
160.01599	2.0
161.02415	21.8
162.03029	1.9
163.00346	10.1
163.03966	7.9
164.01079	5.5
165.01807	7.5
166.99815	3.2
169.01376	8.2
171.00853	2.6
172.01584	2.0
173.02405	8.7
173.04506	4.3
174.03123	2.5
175.00288	1.4
175.03957	4.6
176.01141	2.1
177.01877	9.3
179.03436	2.9
185.00890	2.0
185.02423	2.4
187.00356	5.1
187.03987	2.2
188.01045	2.4
188.04703	1.8
189.01918	21.1
190.02637	5.9
190.99817	4.0
191.03467	13.8
193.01355	2.1
201.01900	13.5
202.02621	1.6
203.00044	1.8
203.03535	4.3
203.07118	2.4
204.03851	1.4
205.01425	6.7
205.05122	1.8
206.01949	1.7
207.99907	1.4
209.00922	4.8
214.99884	4.9
215.03461	1.6
216.00606	2.3
217.01462	27.5
218.02042	1.8
219.02968	5.4
221.00948	4.0
226.99911	1.8
227.03581	3.2
229.01450	10.6
229.05096	2.2
233.00911	5.8
235.02515	2.6
242.99336	7.1
244.00037	2.7
245.00986	23.9
245.08188	3.3
246.01585	3.3
246.08664	2.7
247.02483	9.9
257.71512	1.3
259.99606	3.0
261.00464	5.7
261.43750	1.4
263.01852	2.4
270.98904	16.9
271.06192	2.1
271.99521	3.3
272.06549	2.5
273.00500	41.1
274.00885	4.3
274.08203	1.8
275.02026	4.9
286.98267	1.6
289.00003	3.6
289.07306	16.1
290.07635	14.2
291.01505	2.4
291.07999	1.9
298.98431	17.3
299.99081	6.1
301.00064	18.6
302.00482	3.0
315.98624	3.3
316.99460	100.0
317.99860	11.7
337.09293	1.6
379.06479	1.7
405.04626	2.0
408.07935	2.8
417.04648	1.9
436.11316	2.2
462.10571	4.4
472.08820	1.6
488.08127	3.7
490.10098	4.9
500.08691	7.7
516.08057	19.0
517.08081	2.3
518.09454	15.4
519.09784	1.9
529.80908	1.4
534.08807	3.9
544.07324	19.0
545.07593	3.2
548.28052	1.3
562.08209	4.9
563.07507	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.5
58.00505	0.5
59.01267	100.0
60.01599	0.9
61.98721	3.3
64.45467	0.2
70.16545	1.3
70.77615	0.2
71.01276	7.4
72.99181	0.7
73.02840	1.1
75.00785	0.4
82.95318	0.3
83.01282	0.9
85.02828	1.9
85.45370	0.3
87.00784	0.4
88.93523	0.2
89.02338	5.9
89.39143	0.3
95.01304	0.7
95.63232	0.3
96.95918	0.7
99.00796	0.5
101.02359	4.7
113.02359	2.8
119.03417	1.9
125.02387	0.8
131.03438	0.3
143.03404	0.3
161.04524	0.7
169.01328	0.5
227.16533	1.4
291.23520	0.5
300.99863	0.5
307.75778	0.3
309.24521	0.4
321.24396	3.1
339.25464	6.0
340.25772	0.7
357.08142	0.2
357.26422	0.3
483.30188	0.3
501.30832	74.9
502.31149	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	561.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	1.9
55.36323	1.3
57.03336	2.9
58.00483	3.7
59.01268	82.7
59.91911	1.1
60.33732	1.1
61.98720	25.3
71.01273	46.1
71.60537	1.8
72.99210	2.9
73.02839	15.3
75.00774	2.3
75.27943	1.2
78.95800	3.4
83.01278	11.1
85.02843	19.7
85.99969	1.1
87.00775	3.0
88.98710	2.1
89.02338	26.5
95.01288	3.5
96.68890	1.2
96.95924	11.8
97.02856	3.5
99.00771	10.6
101.02347	41.2
103.03909	1.5
109.02859	2.9
109.06486	1.4
111.00797	2.1
113.01597	2.3
113.02357	22.6
119.03428	10.3
121.02831	1.4
121.20493	1.1
123.04407	2.6
125.02370	12.5
131.03441	2.0
137.02365	3.2
137.74205	1.3
141.01686	1.8
143.03407	3.7
145.02875	2.1
151.03888	2.1
159.02917	2.0
159.04504	1.1
161.04520	12.9
163.06081	4.4
169.01367	4.4
171.10204	3.2
175.04198	1.2
179.05591	5.6
187.04010	1.6
203.07062	1.7
209.00728	1.2
211.37624	1.2
245.08211	1.5
245.81624	1.3
258.48511	1.4
289.07233	13.9
290.07709	1.7
311.01938	1.3
339.25540	4.0
355.21350	25.1
356.21667	3.2
501.27008	100.0
502.27441	13.5
561.28711	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	561.2358
Annotation	(2'S,3'R,4'S,7'R,9R,10S)-7'-Deoxo-2'-deoxy-2',3':9,10-diepoxy-9,10-dihydro-4'-hydroxy-7'-[(1R)-1-hydroxyethyl]verrucarin A
Peak:m/z	Relative Intensity
55.01781	1.0
56.36227	0.5
57.03365	1.5
58.00514	2.1
59.01265	36.4
59.15742	0.4
60.25845	0.5
60.99196	0.5
61.98719	4.8
67.41949	0.5
68.39200	0.5
69.03353	2.6
69.16248	0.5
71.01273	25.7
71.61608	0.9
72.99201	3.5
73.02870	2.1
75.00806	0.6
79.89492	0.5
81.03325	0.6
83.01280	2.7
85.02837	6.7
85.03272	0.6
87.00796	1.5
88.98730	1.6
89.02341	26.0
93.03373	1.1
95.01284	2.7
95.04930	1.0
96.95932	2.6
97.02888	1.6
99.00809	2.2
101.02351	16.8
101.02982	0.9
105.03413	0.6
107.04955	0.6
109.02889	1.8
111.00813	1.2
113.02365	9.9
117.03391	2.6
119.03431	9.5
119.04960	1.5
121.02988	0.6
123.00838	1.6
123.04499	1.6
125.02372	6.3
131.03459	1.6
132.02100	18.7
133.02939	3.1
134.03671	37.6
135.04460	1.1
136.01688	0.9
136.05249	1.3
137.02399	3.9
138.06816	0.7
139.00313	0.8
143.03444	2.4
145.02925	1.0
147.04482	1.3
149.02371	0.9
149.04518	1.3
149.06042	4.9
150.03123	0.8
151.00343	0.8
151.03973	1.5
151.07657	1.1
152.08372	2.0
153.09152	2.8
160.01610	91.9
161.01976	4.3
161.04546	2.1
161.05922	0.7
163.03888	0.9
163.11290	0.7
165.01846	0.5
166.99828	0.6
168.00566	0.8
169.01396	4.4
173.06018	0.8
174.03162	0.8
175.03970	100.0
176.04446	5.9
177.01874	1.4
177.05501	0.5
178.02629	1.2
179.03441	1.0
179.05569	2.4
185.00887	1.7
189.01894	1.0
191.05615	0.7
191.07121	4.1
192.04268	0.9
193.05043	41.6
194.05380	2.0
205.04929	0.9
205.12303	3.9
207.06668	1.0
220.03711	0.7
221.04530	0.5
221.90694	0.5
223.13498	0.7
235.06145	8.2
246.01804	0.9
265.07190	2.2
267.03043	0.6
273.00388	0.7
289.07404	2.4
292.15240	0.6
295.08405	2.4
300.99814	2.2
316.02182	0.5
337.09253	1.4
347.01825	1.0
365.03128	0.7
369.19299	0.7
399.23816	0.9
409.01633	0.8
498.20831	1.2
501.23154	3.9
501.30435	2.0
502.23135	0.8
509.31366	0.5
517.07819	0.7
525.22827	0.7
560.27777	0.7
561.06207	4.9
561.22986	94.5
562.06732	1.1
562.15442	0.8
562.23431	14.3
562.30878	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1415
Annotation	Epicatechin-(4beta->8)-epiafzelechin
Peak:m/z	Relative Intensity
51.10087	0.7
57.03331	3.4
64.24967	0.9
65.65111	0.8
66.43335	0.8
70.93644	2.5
81.03346	2.1
83.01266	4.2
84.12080	0.8
93.03362	2.4
95.01266	1.5
95.04944	3.2
96.95908	5.4
97.02844	6.2
108.02057	1.2
109.02859	20.3
121.02865	3.1
122.03668	1.8
123.04449	13.1
125.02370	28.3
126.02760	0.9
130.22844	0.7
133.02885	3.1
133.83707	0.8
135.04529	1.7
137.02377	21.0
138.02675	1.2
139.03960	2.8
145.02879	1.1
149.02379	4.2
151.03972	8.7
159.04483	2.9
160.05202	1.0
161.02402	2.6
161.06073	5.4
162.03210	1.3
163.00331	1.3
163.03937	1.9
164.01102	11.7
165.01892	4.9
167.03537	0.9
173.05969	1.2
175.03995	4.2
175.07539	2.0
175.61487	0.8
177.01979	2.0
179.03471	4.6
185.06075	1.7
187.04004	3.2
188.04723	2.5
203.03709	0.8
203.07140	11.8
204.07455	0.9
205.01544	1.9
205.05074	7.0
206.05209	1.1
212.04871	1.1
217.08714	1.0
221.08128	1.6
227.07166	2.0
229.05237	1.1
230.05920	0.9
245.08214	14.3
247.06178	1.0
255.02878	1.5
271.06219	13.6
273.07767	3.8
289.07242	100.0
290.07538	9.9
291.94525	0.8
300.02759	1.8
301.03448	1.3
328.05969	1.5
329.06689	2.5
407.07800	6.6
408.08170	1.2
409.09372	1.3
419.07889	0.9
425.08759	1.2
435.11008	6.2
447.09229	1.9
543.12805	1.4
548.03955	0.9
561.14111	6.1
589.15198	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	10.4
69.03340	1.9
69.26042	8.0
69.26463	3.9
73.05807	1.0
73.88596	1.1
74.08674	0.9
80.02589	1.1
81.03346	6.5
83.01277	9.5
93.03358	8.2
95.01281	2.9
95.04948	7.5
97.02859	15.6
98.19827	2.2
105.03317	1.3
107.04937	2.1
108.02069	3.3
109.02861	51.1
110.03226	1.1
111.04453	1.6
119.04959	1.6
120.02112	2.4
121.02871	8.3
122.03664	3.4
123.00765	1.1
123.04441	41.9
124.04772	1.9
125.02368	56.5
126.02697	3.5
126.77137	0.9
131.04895	1.1
133.02861	5.1
135.04443	6.3
137.02371	39.5
138.03029	1.9
139.03967	7.5
143.05031	1.1
145.02840	2.0
146.03690	4.0
147.04448	1.7
148.57590	1.2
149.02415	11.9
150.03117	2.3
151.03947	20.0
152.04231	1.2
156.23070	1.1
157.06561	1.6
159.04456	7.3
160.05237	4.2
161.02380	6.2
161.06032	10.9
162.03181	3.8
162.06448	1.1
163.00273	6.0
163.03957	6.6
164.01102	23.3
165.01884	10.7
166.02477	1.3
167.03450	3.1
168.89508	1.0
173.06035	3.6
174.03244	1.7
175.03986	7.9
175.07571	5.1
176.01225	2.4
177.01913	8.6
177.05557	1.8
178.84273	1.0
179.03423	8.2
180.04024	1.0
183.04492	1.4
184.05392	1.1
185.06046	3.4
187.03978	15.2
187.07533	1.3
188.04704	9.0
189.05319	1.4
201.05602	3.0
202.06253	3.7
203.03485	1.1
203.07133	26.7
204.07495	1.7
205.01422	7.0
205.05054	11.0
215.03458	1.3
217.05061	1.4
221.08191	5.0
227.03488	1.7
227.07108	3.8
228.04222	1.5
229.05037	2.8
230.05836	1.3
231.02953	1.3
245.08189	19.8
247.06100	2.1
255.03001	4.5
271.06195	9.8
273.07788	4.9
274.02158	1.1
277.38065	1.2
283.02664	1.3
283.06403	1.5
289.07248	100.0
290.07513	9.2
328.05930	1.8
329.06665	3.5
407.07874	12.3
409.09189	1.0
417.09467	1.3
425.08737	2.7
430.07944	1.1
435.10947	9.6
543.12964	1.9
561.14288	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	561.1414
Annotation	ent-Epicatechin-(4alpha->8)-epiafzelechin
Peak:m/z	Relative Intensity
57.03337	3.7
67.01756	0.3
69.03333	0.8
71.06254	0.6
77.03870	0.3
80.02563	0.5
81.03348	1.9
83.01277	3.0
93.03374	2.3
95.01283	1.0
95.04917	3.0
97.02856	4.9
105.03342	0.4
107.04927	1.0
108.02062	1.1
109.02865	16.8
110.03191	0.6
111.00793	0.4
111.04434	0.5
117.03327	0.3
119.04929	0.6
121.02869	2.9
122.03656	1.4
123.04443	12.2
124.01540	0.4
124.04833	0.3
125.02367	27.2
126.02705	0.8
133.02899	2.2
133.06485	0.4
135.04456	2.2
137.02374	14.6
137.83031	0.3
138.03143	0.5
139.03952	3.2
139.16046	0.3
140.00996	0.3
143.04965	0.5
145.02878	0.7
146.03674	1.3
147.04434	0.8
149.02385	4.2
150.03172	0.5
151.03946	7.6
157.06514	0.6
159.04483	2.2
160.05190	0.9
161.02386	2.5
161.06044	3.7
162.03177	1.6
163.00316	1.9
163.03976	2.1
164.01106	10.4
165.01910	4.9
166.02463	0.3
167.03464	1.7
169.01358	0.7
173.06024	0.8
174.03142	0.5
175.03973	4.0
175.07614	1.7
176.01091	0.3
177.01915	2.5
177.05534	0.6
178.02725	0.4
179.03458	4.4
180.31024	0.3
184.05203	0.5
185.06013	1.6
187.03973	4.0
187.07655	0.5
188.04770	3.1
189.01974	0.3
189.05481	0.6
191.03587	0.4
199.07607	0.8
201.05617	0.6
202.06284	1.6
203.03455	0.6
203.07124	9.7
204.07375	0.4
204.71535	0.3
205.01440	3.1
205.05052	5.7
206.05391	0.5
212.04807	0.6
215.03569	0.3
217.05066	0.4
217.08748	0.5
219.02855	0.4
221.08139	2.0
225.05609	0.3
227.03648	0.4
227.07101	1.7
228.04343	0.9
228.07576	0.3
229.05054	1.3
229.08560	0.4
230.05986	0.7
231.02934	0.6
231.06648	0.5
241.05121	0.3
245.08221	12.9
246.08548	1.0
247.06136	1.1
249.88176	0.3
253.05031	0.5
255.02982	1.3
255.06596	0.4
256.03812	0.8
269.20447	0.3
271.06186	11.4
272.06509	1.1
273.00446	0.3
273.07755	4.8
274.08102	0.6
281.04507	0.7
283.06180	0.7
285.04214	0.4
289.07245	100.0
290.07599	8.4
300.99838	0.6
313.07074	0.4
316.99594	0.8
328.06049	1.8
329.06714	3.5
330.07126	0.3
339.08920	0.8
381.09875	0.8
407.07831	9.1
407.13293	0.5
408.08188	1.0
409.09622	1.4
410.10190	0.6
417.09854	0.4
425.08804	1.2
435.10916	9.9
436.11353	1.3
525.11743	0.4
543.13647	1.4
561.14197	4.2
562.14728	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.1
64.20803	0.1
69.58134	0.2
69.58548	0.7
79.95636	2.2
90.30779	0.1
96.95914	100.0
97.95860	0.4
108.02116	0.1
109.02844	0.4
111.00809	0.2
123.00775	0.1
123.04491	0.2
125.02339	1.5
137.02364	0.5
151.00322	0.3
151.03990	0.3
163.00293	0.1
164.01120	0.4
165.01895	0.2
169.01396	0.3
174.63469	0.1
175.03986	0.1
178.99863	0.4
191.77362	0.1
203.07121	0.2
205.05038	0.2
213.43115	0.1
214.02736	0.2
219.90012	0.1
242.02365	0.2
245.08208	0.2
259.02350	0.2
270.01764	0.3
271.02570	1.1
271.06152	0.3
287.01993	0.8
289.07266	2.0
290.07626	0.3
316.02313	3.8
317.02875	1.1
348.10797	0.1
435.10547	0.1
463.08887	4.6
464.09058	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	9.3
65.00169	0.6
69.03342	0.7
71.36413	1.3
81.03339	3.0
83.01278	6.1
84.83904	0.6
85.02841	0.6
91.03903	0.5
93.03359	2.9
95.01281	1.7
95.04933	3.9
96.95872	0.7
97.02856	9.9
99.04404	0.5
107.04919	1.3
108.02087	0.8
109.02860	22.9
110.03162	0.9
111.00784	0.8
119.04945	0.9
121.02876	4.2
121.27246	0.5
122.03680	1.6
123.00800	0.7
123.04441	17.3
124.04857	0.7
125.02367	73.2
126.02711	2.6
133.02878	4.2
134.03540	0.6
135.00861	0.5
135.04459	3.0
137.02377	24.0
138.02789	1.4
139.00320	0.9
139.03932	4.9
145.02876	1.1
146.03670	1.3
147.04469	1.1
149.02377	6.0
150.03064	0.8
151.03949	9.9
157.02921	0.6
157.06538	0.8
159.04466	3.0
160.05217	1.0
161.02380	13.3
161.06021	5.1
162.03123	2.5
163.00307	4.0
163.03925	2.5
164.01103	16.0
165.01874	8.6
166.02582	1.3
167.03439	2.3
169.01434	1.4
173.06044	1.2
175.03996	5.3
175.07625	2.0
176.01083	0.9
176.04364	0.6
177.01910	5.7
177.05438	0.9
178.02629	1.3
178.94490	0.5
179.03448	6.6
185.06041	1.6
187.03981	6.9
187.07596	1.3
188.04781	5.3
189.01891	1.0
189.05515	2.2
199.07628	0.6
201.01974	0.7
201.05548	1.2
202.06352	1.9
203.03520	1.1
203.07129	14.6
204.07463	0.9
205.01384	5.7
205.05042	10.7
205.08792	1.2
212.04787	0.6
215.07254	0.5
217.05040	1.1
217.08711	0.8
221.08156	2.3
227.07097	2.9
228.04286	0.9
228.07729	0.7
229.05101	2.1
229.08784	1.5
231.03024	0.9
242.20128	0.5
245.04445	1.0
245.08231	18.3
246.08528	1.2
247.06149	1.8
253.05020	1.5
255.03049	1.6
255.06563	0.7
256.03836	1.6
269.04630	1.3
270.05191	0.7
271.06165	13.5
273.01013	0.6
273.04147	1.1
273.07761	15.4
274.08038	1.0
283.06052	0.9
285.03830	0.9
287.05649	2.5
289.07254	100.0
290.07578	9.2
299.05771	2.1
300.99850	1.0
316.99399	1.0
328.05914	2.5
329.06677	3.7
381.09778	1.6
407.07809	11.6
408.07840	1.8
409.09430	2.9
410.09430	0.6
425.08774	2.2
435.10898	14.2
436.11407	1.6
543.13055	2.9
561.14185	9.7
562.14337	1.7
576.85339	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55777	0.4
58.02593	0.6
58.02859	7.5
59.00985	0.6
59.01265	6.5
61.98710	3.5
66.03368	0.7
69.31152	4.3
69.46600	0.4
71.01274	1.8
72.00783	0.9
74.02363	2.6
77.40472	0.4
80.04935	0.8
82.06496	0.9
84.08079	0.5
85.02879	0.6
89.02345	1.6
93.03363	3.6
95.01292	0.6
96.95878	0.4
98.01131	0.6
98.63642	0.4
100.07568	0.4
101.02339	1.5
106.57140	0.4
107.01267	0.7
107.04934	0.9
108.02085	0.8
109.06522	0.4
111.00768	0.5
111.01892	1.0
112.02686	0.7
113.02332	0.7
119.04947	8.0
123.00814	1.0
124.02705	0.6
125.02359	2.2
125.03319	0.4
126.09244	0.5
127.08683	1.3
128.07152	0.5
129.10266	25.4
130.08611	0.7
130.10635	0.6
133.05249	0.9
134.06038	4.8
136.07587	1.2
137.02393	0.5
138.07933	0.9
139.08728	1.3
139.95306	0.5
140.07092	1.1
143.11821	2.1
152.07126	0.7
153.06602	0.5
153.10248	0.8
154.08659	1.2
155.08209	11.0
155.11832	0.6
157.09714	0.5
161.04495	0.6
163.03964	5.4
164.07056	0.7
167.08197	0.5
168.00513	0.5
169.01395	1.9
169.09801	1.7
170.01724	0.6
171.11353	4.5
179.05621	0.7
179.15497	1.8
180.06630	18.3
181.09802	0.9
187.10881	2.8
193.98529	1.0
195.15054	1.0
195.99226	0.5
197.16586	5.6
207.15051	0.4
218.06924	0.5
222.16103	1.4
223.14516	7.2
240.17233	1.3
242.18816	0.5
245.09349	0.7
247.14534	1.2
249.16124	12.7
250.16449	1.2
264.17371	0.6
271.02496	0.5
274.09357	0.4
275.14111	1.6
275.21353	1.7
292.24063	1.0
293.15137	12.5
294.15472	0.9
334.24918	0.8
343.20395	0.6
344.16174	2.9
359.28040	4.7
360.23038	1.9
360.28467	0.5
362.24884	0.5
378.24026	1.3
387.21649	0.4
404.22025	1.8
423.07397	1.2
450.07736	0.5
451.08014	0.8
468.08038	1.1
499.29126	2.0
500.29706	0.5
515.32574	0.8
559.13879	5.6
559.31494	100.0
560.13770	0.6
560.31787	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	557.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24941	0.3
57.03264	0.5
59.01171	4.4
59.01494	0.9
61.98626	5.2
61.98972	0.8
63.20605	0.3
65.49953	0.3
70.18094	0.6
70.18491	0.6
71.01170	1.8
72.99137	0.4
73.02781	0.4
73.67195	0.3
85.02769	0.6
87.00661	0.4
89.02233	0.9
96.95836	0.7
98.19776	0.3
101.02238	1.3
113.02251	0.7
123.00702	0.6
125.02373	2.6
137.02423	0.3
145.02809	0.4
150.02995	0.3
151.00272	0.5
161.04379	0.7
163.03758	0.3
169.01324	1.5
179.05544	0.5
197.02167	0.6
211.02452	0.5
311.25882	0.5
313.23947	3.1
335.22397	0.8
341.27139	0.8
342.27539	0.4
351.18262	0.5
357.26486	0.7
359.28101	100.0
360.28439	11.4
497.23657	0.7
498.24933	0.4
521.33563	2.1
557.31409	18.8
558.31610	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	559.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.4
59.01269	18.0
61.98720	1.6
62.79449	0.3
68.13551	0.3
71.01283	3.3
72.99222	0.4
73.02824	1.0
85.02829	1.0
87.00765	0.5
89.02341	2.9
101.02343	3.5
113.02365	1.5
119.03410	1.1
125.02383	0.7
133.05026	0.4
145.05101	0.3
161.04507	1.2
179.05569	0.7
212.97705	0.3
219.21263	0.6
235.08281	2.2
253.09337	14.4
254.09692	0.7
263.20218	100.0
264.20563	9.1
357.61014	0.4
430.67725	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.298
Annotation	Tricalysioside N
Peak:m/z	Relative Intensity
56.14138	0.4
57.03334	1.5
59.01266	9.6
61.98719	7.1
65.00195	0.7
71.01251	1.6
71.04917	0.5
71.61613	0.7
73.02793	0.4
81.03350	6.0
83.01267	1.9
83.04905	1.6
85.02836	0.6
89.02345	1.0
95.01260	0.7
97.06453	0.6
101.02342	0.8
106.04079	0.4
109.02862	0.6
109.06502	0.5
113.02350	0.6
119.03450	0.6
119.04927	0.4
121.02856	0.8
122.03654	1.5
123.00872	0.5
123.04471	0.7
125.02366	13.9
126.02714	0.4
129.09178	0.5
135.04530	0.5
137.02313	0.8
143.10715	0.6
145.02893	0.5
149.02357	1.0
151.00291	1.4
151.03915	0.5
161.04390	0.4
169.01367	1.7
169.12239	0.4
197.89680	0.3
200.08980	0.4
209.11870	0.5
269.21298	0.7
289.07263	1.4
309.24509	1.1
311.22476	0.5
313.05759	0.4
317.21548	0.4
333.24515	1.2
335.22305	3.3
349.23782	0.4
351.25421	5.5
395.24454	100.0
396.24814	14.1
396.30060	0.4
399.61035	0.4
497.27832	0.8
518.33881	0.4
557.29279	1.6
578.61841	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.6
57.03340	0.6
58.00482	2.1
59.01265	50.6
60.01599	0.6
61.98715	8.0
67.01785	0.6
69.03348	1.0
70.82628	0.9
71.01270	32.2
72.01605	0.5
72.99198	3.4
73.02833	8.4
75.00771	0.9
78.95788	0.7
79.01783	0.9
79.17158	0.3
81.03362	0.6
83.01270	1.6
83.36787	0.3
85.02837	6.4
85.99980	0.3
87.00761	3.2
87.04409	1.1
87.26208	0.3
88.98686	0.4
89.02337	23.1
93.03371	0.4
95.01285	2.6
95.04069	0.3
96.95921	4.0
96.96877	0.7
97.02879	0.9
99.00784	0.9
101.02346	27.0
102.02733	0.6
103.03915	5.9
107.01286	4.6
109.02841	0.7
109.06522	0.9
111.00793	2.2
113.02361	7.1
114.02725	0.4
115.03944	1.3
119.03420	9.7
120.51385	0.3
121.02893	0.6
123.00803	10.0
123.04432	0.4
124.01608	0.5
125.02367	22.5
126.02728	0.9
127.00278	0.8
127.03954	0.5
127.07614	0.4
127.11222	0.9
131.03435	2.6
136.98761	1.1
137.02365	0.9
139.00308	2.6
139.11203	0.9
140.01077	2.8
141.01851	1.2
143.03445	3.7
145.02916	0.6
145.04997	2.3
149.02368	0.3
150.03130	0.4
151.00336	5.3
153.01929	0.4
153.12799	2.2
161.02408	0.8
161.04549	1.1
163.06081	27.6
164.06413	1.0
165.01836	0.4
165.05537	0.5
166.99841	0.6
167.03456	1.0
168.00600	5.7
168.01979	0.5
169.01392	25.3
170.01740	1.1
179.03468	0.5
179.05600	1.3
179.07043	0.3
181.12326	1.0
182.57155	0.3
199.13387	4.5
205.07169	5.8
207.13893	1.3
211.02470	13.6
212.02785	1.1
223.02481	0.5
225.14957	1.4
241.03452	0.5
265.03598	0.8
265.09299	2.0
271.04636	13.0
272.05069	0.7
288.02930	0.5
300.99863	0.6
313.05774	1.7
317.21353	0.9
325.05780	1.8
331.06656	0.7
335.22272	1.3
351.18546	0.5
373.26886	0.4
387.20337	1.5
405.21408	8.9
406.21756	0.7
435.09344	0.4
497.23990	0.8
539.21429	3.3
557.22424	100.0
558.22772	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	557.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.4
57.03328	0.6
58.00470	1.3
59.01263	37.3
60.01583	0.5
60.99155	0.3
61.98717	5.4
63.17450	0.3
67.01776	0.5
69.03337	0.9
71.01269	27.2
71.61045	0.6
72.01606	0.5
72.99212	2.1
73.02838	5.8
75.00761	0.6
79.01776	0.6
81.03337	0.7
83.01266	2.0
85.02348	0.4
85.02846	5.6
86.00004	0.4
87.00772	2.7
87.04401	0.6
89.02336	20.2
90.02637	0.4
95.01282	2.3
96.95909	2.1
96.96832	0.3
97.02843	1.1
99.00805	0.6
99.04382	0.4
100.72086	0.3
101.02345	21.2
102.02647	0.6
103.03913	3.7
107.01291	3.4
109.02856	0.4
109.06483	0.7
111.00787	1.9
113.02361	6.7
115.03902	1.2
119.03419	9.6
119.04757	0.5
120.03693	0.4
121.02862	0.9
123.00803	9.5
123.04441	0.4
124.01653	0.7
125.02370	19.2
126.02686	0.8
127.00268	0.9
127.03903	0.4
127.11153	0.6
131.03452	2.3
136.98703	1.0
137.02335	0.5
139.00287	3.2
139.11185	0.6
140.01091	2.1
141.01830	1.2
143.03445	2.8
145.02864	0.5
145.05023	1.6
151.00298	5.1
151.03859	0.6
153.01906	0.3
153.12773	1.9
154.99777	0.4
159.02968	0.3
160.01488	0.3
161.04497	0.8
163.06067	17.1
164.06346	0.4
165.01958	0.5
167.03450	1.1
168.00597	4.9
169.01376	24.4
170.01694	1.1
175.03938	0.3
177.02020	0.5
179.03513	0.3
179.05527	0.8
181.12311	0.6
199.13367	3.4
201.81604	0.3
205.07141	3.2
207.13879	1.3
211.02481	13.5
212.02769	0.9
223.02466	0.9
225.15010	1.5
234.01189	0.3
265.03455	0.9
265.09293	1.5
271.04633	14.4
272.04999	1.2
297.10828	0.3
307.75455	0.3
313.05737	1.4
317.21396	0.6
325.05746	1.8
331.06900	0.5
335.22485	0.9
351.18192	0.4
387.20279	1.9
405.15936	0.5
405.21356	9.1
406.21729	1.0
430.98465	0.3
497.24127	1.2
539.21722	2.0
540.21942	0.4
557.22437	100.0
558.22809	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	557.2254
Annotation	Yadanziolide U
Peak:m/z	Relative Intensity
55.01764	0.7
57.03330	0.6
58.00463	0.3
59.01264	19.8
60.01585	0.3
61.98418	0.4
61.98713	5.6
63.76278	0.3
67.01762	1.1
68.93870	0.2
68.99683	0.6
69.03339	0.6
71.01269	13.7
71.04881	0.4
71.08460	0.5
71.08777	0.4
72.01600	0.3
72.99191	1.0
73.02837	2.0
73.71624	0.2
75.00772	0.4
79.01779	0.8
81.03323	0.5
83.01280	1.8
85.02844	4.6
85.06493	1.5
87.00767	1.8
89.02336	10.2
95.01285	2.8
96.95885	1.0
97.02834	1.1
97.06472	0.3
99.00777	3.2
101.01701	0.6
101.02349	10.9
101.36705	0.3
107.01299	3.4
109.02865	0.6
109.06486	1.0
111.00789	1.7
113.02357	4.7
113.09605	0.4
119.03423	5.2
119.04846	0.4
122.03584	0.3
123.00803	10.6
123.04404	0.6
124.01604	0.6
125.02369	17.4
126.02679	0.6
127.00287	0.8
127.60217	0.3
131.03409	0.3
135.04471	0.4
136.98735	1.2
137.02327	1.3
139.00298	3.3
140.01100	2.3
141.01845	1.4
143.03429	0.7
145.02840	0.5
149.02359	0.3
149.04480	0.3
150.03142	0.3
151.00314	5.5
151.03900	0.5
153.01819	0.8
154.99826	0.4
155.14354	3.4
159.02942	0.3
161.04520	1.5
161.05714	0.3
163.03915	0.6
165.01836	0.6
166.99748	0.5
167.03410	0.4
168.00598	3.3
169.01378	19.5
170.01694	0.9
172.27205	0.3
175.03932	0.4
178.02487	0.3
179.03426	0.4
179.05516	1.1
180.06514	0.3
181.12296	0.4
181.15956	2.7
190.62627	0.3
199.13382	11.5
200.13689	1.0
207.13887	0.4
211.02451	3.5
212.02763	0.4
223.02504	0.3
225.14989	5.3
226.15289	0.6
247.02686	0.4
253.03487	0.5
269.04605	0.4
270.24466	0.3
271.04617	3.1
289.07196	0.3
300.67520	0.3
300.99792	0.6
313.05826	1.7
317.21097	0.4
335.22397	0.3
405.21393	20.6
406.21805	2.5
439.23434	0.4
497.27560	0.9
513.23041	0.3
539.21259	2.7
540.21613	0.4
557.22424	100.0
558.22815	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	557.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.5
56.73307	0.3
57.03326	0.6
58.00471	0.5
59.01265	21.5
61.98718	5.5
67.01787	0.5
69.03331	1.6
69.34352	3.4
71.01271	16.5
72.99189	1.2
73.02831	0.7
75.00711	0.4
79.01771	1.0
81.03329	0.7
81.14916	0.3
83.01262	1.1
85.02843	3.2
87.00768	0.8
87.03284	0.3
88.98676	0.5
89.02336	13.7
95.01278	2.4
96.95875	0.6
97.02842	1.4
99.00759	0.7
101.01698	0.7
101.02345	11.2
107.01295	5.6
108.02079	0.8
109.02843	1.5
111.00786	1.9
113.02354	5.6
119.03421	6.2
122.99924	0.6
123.00800	10.1
123.04404	0.7
124.01510	1.3
125.02368	31.2
126.02680	1.3
126.80829	0.3
127.00254	1.0
127.11164	0.8
131.03410	0.4
136.98709	1.6
137.02330	1.6
139.00301	4.3
139.11151	1.1
140.01096	2.3
141.01822	1.6
143.03400	0.4
150.99168	0.4
151.00323	6.5
151.03897	0.4
153.01822	1.3
153.12759	2.7
161.04483	1.0
162.62291	0.3
163.03941	0.5
164.04712	0.3
165.01820	0.5
166.99706	0.5
167.03430	0.6
168.00600	6.5
169.01381	37.1
170.01678	1.9
171.01772	0.5
175.34512	0.4
177.01752	0.5
179.03389	0.5
179.05548	0.9
181.12242	0.6
181.15897	0.5
191.28979	0.4
197.04366	0.4
197.06065	0.7
199.13419	2.5
207.16766	0.4
211.02470	14.2
212.02629	0.5
223.02435	1.5
225.14899	2.2
241.03488	1.1
242.90283	0.4
243.06712	0.5
265.03510	1.2
271.04642	13.7
271.74677	0.4
272.04999	0.8
274.14304	0.4
285.04007	1.3
300.99875	1.0
313.05743	5.1
315.06125	0.4
325.05725	4.1
331.06726	0.4
335.22382	0.5
357.20108	0.4
385.07941	0.5
387.20230	0.6
395.16751	0.4
405.21414	7.3
406.21405	0.5
445.07376	0.4
449.07095	0.6
495.15137	0.4
497.27026	0.7
521.20636	0.8
521.33282	0.8
539.21350	3.0
557.13281	18.1
557.22345	100.0
558.13446	3.4
558.22638	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.2
57.03329	0.6
59.01267	19.8
61.98431	0.4
61.98718	5.3
67.01776	0.9
69.03326	1.2
69.44199	2.5
69.44622	0.8
71.01270	12.4
72.99184	1.4
73.02836	3.2
78.95792	0.7
79.01773	0.8
83.01275	3.2
83.04887	0.4
85.02853	5.2
85.06464	1.5
87.00757	1.4
88.98662	0.5
89.01820	0.6
89.02338	9.6
93.03352	0.5
95.01285	2.6
95.33292	0.4
96.95892	0.6
97.02821	1.1
98.19819	0.7
99.00784	2.8
101.01707	0.6
101.02350	12.0
107.01291	4.8
108.02094	1.9
109.02869	0.8
111.00762	1.8
113.02348	5.4
113.09564	0.4
119.03429	5.0
121.02801	0.5
122.99926	0.6
123.00804	11.8
123.04436	0.5
124.01647	0.9
125.02371	23.7
126.02670	0.9
127.00240	0.7
130.70781	0.3
135.00774	0.8
136.98711	1.8
139.00285	3.7
140.01114	3.1
141.01865	1.9
143.03391	0.5
149.02312	0.6
149.99503	0.5
151.00317	5.6
151.03833	0.6
151.06619	0.4
152.01102	2.4
153.01820	1.3
155.14348	4.6
161.04471	1.2
165.01912	0.7
165.93796	0.4
166.99728	0.9
168.00609	5.1
169.01379	24.7
170.01689	1.1
177.53227	0.4
181.15944	2.4
182.54919	0.4
183.13556	0.4
187.04047	0.5
188.16380	0.4
188.38506	0.4
193.98546	7.3
194.99219	1.2
199.13379	13.1
200.13683	0.9
211.02486	3.8
215.03470	0.5
225.15015	3.4
243.06258	0.4
271.04633	2.7
296.05338	0.8
297.06158	1.0
311.22275	0.4
313.05685	4.3
315.07333	0.6
331.36288	0.4
335.22119	1.4
357.22253	0.8
357.26511	14.4
358.26947	2.6
359.27765	2.6
405.21390	20.0
406.21667	2.0
422.08588	1.0
449.07312	5.9
450.07333	0.8
466.07669	4.6
497.27707	2.0
521.20068	1.0
521.33435	3.7
522.33722	0.8
539.21460	2.3
557.13080	19.1
557.22266	100.0
558.13367	2.6
558.22571	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	557.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76020	0.2
56.19344	0.2
57.03330	0.7
59.00993	0.4
59.01266	3.6
59.84789	0.2
65.00208	0.3
67.01765	0.8
68.99703	0.5
69.03333	0.5
71.01267	2.7
71.59502	0.2
72.99186	0.5
73.02820	0.3
79.01789	0.8
83.01274	0.7
85.02850	0.6
87.00771	0.3
89.02344	1.3
95.01289	1.4
97.02855	0.5
101.02366	1.2
107.01288	3.4
109.02896	0.3
110.00009	0.2
111.00800	2.4
112.01117	0.2
113.02349	0.5
123.00803	10.7
124.01689	1.0
125.02371	16.2
126.02689	0.7
127.00295	0.7
136.98738	1.1
137.02361	0.5
139.00313	3.5
139.03877	0.3
140.01097	2.9
141.01895	1.4
151.00320	6.5
151.03972	0.2
153.01883	0.6
154.99847	0.3
163.00354	0.2
165.01836	0.5
166.99773	0.3
167.03462	0.8
168.00592	4.9
169.01387	22.7
170.01694	0.9
179.03392	0.3
183.02893	0.2
209.04498	0.3
211.02481	13.1
212.02811	0.8
241.03510	0.4
271.04648	14.2
272.04883	0.9
313.05701	1.1
331.06772	0.3
389.10669	0.4
398.66348	0.2
410.79800	0.2
539.10468	0.3
539.21497	0.5
557.22485	100.0
558.22858	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	557.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60313	0.3
57.03326	0.8
59.01265	3.7
62.14962	0.2
62.41878	0.3
65.41470	0.2
67.01782	0.6
67.32715	0.3
69.03328	0.5
71.01270	2.4
71.60228	0.4
72.99197	0.6
78.95801	0.3
79.01769	0.6
83.01272	0.6
85.02841	0.8
87.00772	0.5
89.02352	1.6
90.15540	0.2
95.01302	2.1
96.95918	0.6
97.02838	0.6
99.00813	0.5
99.96735	0.3
101.02330	1.7
107.01299	3.2
110.00024	0.5
111.00794	1.9
113.02364	1.0
119.03398	0.5
121.50417	0.3
123.00802	10.4
124.01675	0.7
125.02370	16.8
126.02686	0.6
127.00297	0.9
135.04417	0.2
136.98730	0.8
137.02405	0.3
139.00311	4.0
139.03954	0.6
140.01073	2.9
141.01845	1.0
145.02847	0.3
150.43442	0.2
151.00316	7.0
152.00648	0.3
153.01842	0.5
161.02441	0.3
163.00249	0.3
163.03925	0.4
165.01915	0.4
166.99762	1.7
167.03465	0.5
168.00609	4.1
169.01382	24.1
170.01758	1.1
181.01404	0.3
211.02475	12.7
212.02800	1.0
217.01273	0.3
217.63402	0.3
223.02441	0.3
253.03627	0.3
271.04657	15.6
272.05145	1.4
273.05182	0.5
301.00079	0.5
313.05719	1.2
331.06680	0.6
332.07059	0.4
513.19763	0.3
529.66742	0.3
539.21045	1.4
557.22504	100.0
558.22882	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.7
57.69820	0.2
58.00476	0.3
59.01269	4.3
64.60968	0.3
65.00209	0.3
67.01765	0.7
68.99699	0.3
69.03348	0.4
69.49868	0.6
69.50288	1.3
71.00951	0.2
71.01282	2.8
72.99211	0.5
77.94135	0.2
79.01769	0.7
83.01280	0.5
85.02845	0.8
87.00730	0.4
89.02331	0.9
95.01283	1.7
97.02850	0.6
99.00800	0.2
101.02348	1.4
107.01298	3.7
109.02868	0.2
109.99986	0.4
111.00790	1.7
113.02366	0.7
119.03365	0.4
123.00804	12.3
124.01665	1.3
125.02372	18.0
126.02712	0.6
127.00278	0.6
127.64259	0.2
132.53654	0.2
136.98744	1.3
137.02385	0.8
139.00322	4.0
139.03960	0.3
140.01091	3.0
141.01883	1.7
149.09680	0.4
151.00320	7.1
151.03958	0.3
152.00642	0.4
153.01781	0.5
163.00323	0.4
163.03928	0.3
165.01875	0.5
166.99805	0.5
167.03485	0.6
168.00594	5.0
169.01382	23.8
170.01672	1.0
176.81946	0.2
209.04584	0.2
211.02478	12.7
212.02792	0.9
241.03496	0.5
253.03584	0.3
271.04648	14.1
271.63293	0.2
272.05057	1.3
300.99951	0.4
313.05618	1.4
378.31836	0.3
461.02209	0.2
462.04611	0.3
476.04001	0.2
539.21649	0.6
557.22498	100.0
558.22845	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	557.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.5
59.01265	9.0
61.98706	2.2
69.68636	2.2
69.69048	5.4
71.01273	3.9
77.03865	0.9
78.95790	1.6
83.01303	1.6
85.02827	2.1
89.02348	3.0
93.03379	3.5
95.01283	1.3
95.04968	1.2
96.95921	15.8
96.96856	1.7
97.02882	1.3
101.02371	2.2
107.01324	4.5
108.02087	1.9
109.02862	4.2
111.00806	3.4
112.98892	1.1
113.02317	1.5
117.03394	1.0
119.04960	1.3
121.02881	14.9
122.03676	12.9
123.00806	8.1
123.04431	3.1
124.01583	2.7
125.01440	2.0
125.02373	36.0
126.02673	1.6
132.02087	2.5
133.02899	8.9
134.03688	7.8
135.04468	1.8
136.01576	1.9
136.98752	1.8
137.02390	3.9
137.09647	1.6
139.00316	3.0
140.01085	4.7
145.02890	7.4
146.03641	1.9
147.04480	9.1
149.02400	20.8
149.06006	9.8
150.03175	47.2
151.00337	3.8
151.03889	2.8
154.02698	1.6
161.02426	2.5
161.06055	3.4
162.03157	2.0
163.03983	1.3
164.04759	4.8
165.01894	1.6
165.05537	57.4
166.05852	2.2
167.03517	2.0
168.00589	13.7
169.01389	59.3
170.01744	2.9
175.03970	1.0
177.01744	0.9
177.05452	1.5
179.07147	8.1
180.04271	2.7
191.03641	0.9
195.06635	16.7
210.38338	1.0
211.02483	66.2
212.02831	3.3
213.05684	1.1
241.03485	1.8
269.04501	1.9
271.04660	100.0
272.04947	6.8
289.07474	1.2
297.11542	1.8
299.12964	1.4
301.00003	3.1
315.12335	0.9
329.13995	3.5
331.06781	31.8
332.07104	1.9
346.14380	3.6
347.15094	6.2
348.15457	1.4
361.16669	36.8
362.16949	2.8
415.17813	5.8
490.50418	1.0
497.28128	1.8
509.21942	65.0
510.22217	8.7
521.20514	61.9
522.21106	9.3
539.22693	6.1
540.23590	1.1
557.12665	1.2
557.23828	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	557.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54280	0.5
59.01265	4.9
60.74328	0.5
61.98715	2.2
65.00214	1.7
65.03853	2.3
67.01774	2.2
69.03327	0.9
71.01263	6.0
72.99218	1.3
73.02811	0.7
73.75820	0.6
79.01784	1.2
83.01289	0.9
85.02830	1.1
87.00762	1.2
88.98714	1.0
89.02340	1.4
91.01794	23.8
92.02055	0.5
95.01298	1.9
95.04894	0.5
96.95934	3.4
96.99259	0.5
97.02859	0.7
101.02336	1.8
107.01295	6.9
109.02864	27.3
110.03166	0.9
111.00790	2.5
112.44655	0.6
113.02398	1.3
121.02917	0.7
123.00812	12.2
124.01618	1.4
125.02369	42.1
126.02691	1.6
133.02875	0.7
135.00810	58.9
136.01164	1.8
136.98758	1.3
137.02364	2.2
139.00343	3.5
140.01120	2.8
141.01862	1.6
143.03346	0.6
145.50116	0.5
149.02403	1.7
149.99527	2.4
151.00314	7.7
153.01883	76.4
154.02228	2.5
161.02405	1.3
161.04445	0.7
163.04031	0.6
165.01758	0.6
166.99803	2.2
167.03464	0.7
168.00627	4.8
169.01382	59.1
170.01672	2.1
175.03923	0.8
177.01942	1.8
179.03647	0.6
185.02412	9.1
186.02756	0.6
187.03995	0.6
189.01932	1.1
193.01463	0.9
193.98552	22.4
194.99297	3.8
199.03978	0.8
211.02501	1.6
213.01947	0.9
215.03514	0.9
217.01405	0.9
223.02493	1.3
241.01453	1.4
241.03580	1.1
242.02252	6.6
243.03030	14.0
244.03276	0.9
269.00983	16.3
270.01346	1.1
271.04602	0.8
287.02054	5.3
289.06900	0.7
297.06262	0.9
312.04788	1.3
313.05716	33.1
314.06088	2.6
315.07330	2.3
320.68991	0.5
328.99176	1.2
329.03107	22.8
330.03479	2.1
359.04092	2.3
389.05231	22.1
390.05731	1.3
403.10681	0.9
422.08643	9.9
449.07352	100.0
450.07678	11.7
466.07626	12.2
467.07904	1.2
513.14288	1.7
521.20203	2.1
521.33728	0.6
557.13135	81.7
557.26660	2.8
558.05426	1.1
558.13507	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	557.1314
Annotation	3,3',4,5'-Tetrahydroxystilbene 3'-O-beta-D-(6''-O-galloylglucopyranoside)
Peak:m/z	Relative Intensity
56.41365	0.3
57.03323	0.6
59.01258	3.4
61.98717	1.2
65.00220	0.4
67.01771	0.9
69.03342	4.9
69.57438	1.7
71.01267	5.0
72.99219	0.6
73.02840	0.7
76.36523	0.3
79.01768	1.8
80.73033	0.3
81.03350	0.7
83.01276	1.1
84.52666	0.2
85.02821	1.9
87.00768	0.4
88.98695	0.6
89.02347	0.9
93.03394	0.4
95.01274	2.6
95.22525	0.3
97.02837	2.9
99.00780	0.3
101.02341	1.6
107.01287	11.8
108.02081	4.4
109.02872	5.5
109.99959	0.4
111.00785	2.1
113.02374	1.7
119.34519	0.2
121.02856	2.5
123.00802	10.3
123.04418	0.6
124.01610	1.7
125.02368	63.8
126.02693	2.1
127.00311	0.9
133.02908	0.4
135.00816	1.0
135.04453	0.3
136.98761	1.6
137.02380	5.6
138.99358	0.4
139.00305	3.6
140.01089	3.3
141.01828	1.1
145.02843	0.5
149.02455	0.4
151.00314	9.1
151.03909	0.8
152.01140	1.7
153.01878	6.1
154.02139	0.3
154.99829	0.3
161.02393	0.3
161.04486	0.5
163.03918	0.4
165.01875	0.7
166.99803	0.8
167.03447	0.7
168.00601	6.3
169.01387	70.4
169.06522	1.0
170.01720	2.4
175.03891	0.4
177.01889	0.8
179.03423	0.5
179.05676	0.3
181.01367	0.5
193.98466	0.3
195.03065	0.5
197.06076	5.2
203.03671	0.4
205.01483	0.3
211.02486	2.4
213.05493	1.6
214.05949	0.3
215.07130	0.9
223.02263	0.4
241.03484	1.8
242.05902	2.2
243.06650	3.8
253.03577	0.7
269.04614	0.4
271.04736	0.4
289.07150	0.3
297.06326	1.3
300.99969	0.7
312.04950	1.2
313.05707	17.4
314.06161	1.1
338.06265	0.3
395.17181	2.0
403.10434	0.7
422.08585	1.1
449.07364	2.7
452.03281	0.3
466.08051	1.4
481.46335	0.3
513.13794	0.4
521.33209	0.3
557.13129	100.0
558.13434	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	557.1314
Annotation	3,3',4,5'-Tetrahydroxystilbene 3'-O-beta-D-(6''-O-galloylglucopyranoside)
Peak:m/z	Relative Intensity
53.76304	0.3
57.93974	0.3
59.01268	4.5
61.98719	1.1
61.99019	0.3
65.00213	1.3
67.01756	0.8
68.99702	1.0
69.03345	4.8
69.83595	0.8
69.84010	1.1
71.01270	3.9
72.99191	0.6
73.02858	0.6
76.10940	0.4
76.91418	0.3
79.01784	1.2
81.03355	0.9
83.01270	1.0
85.02848	1.2
87.00786	0.9
87.70575	0.3
89.02361	1.7
93.03364	0.7
95.01299	3.8
96.99211	0.4
97.02860	4.2
99.00793	0.7
101.02341	2.1
107.01295	10.7
108.02084	10.2
108.02818	0.6
109.02878	3.8
110.00021	1.0
111.00793	3.2
113.02367	1.4
117.03450	0.4
119.03395	0.6
121.02871	1.3
123.00805	15.3
123.04419	0.4
124.01656	2.2
125.02372	38.4
126.02699	1.3
127.00316	1.0
131.04967	0.5
133.02879	0.8
134.03729	0.3
135.00821	4.9
135.04434	0.6
136.98755	2.0
137.02364	1.4
139.00301	5.3
140.01094	5.2
141.01862	1.6
143.03407	0.5
143.04959	0.9
145.02884	0.7
149.02417	0.7
149.99545	2.1
151.00320	8.4
151.03929	1.1
152.01106	15.2
153.01906	3.6
159.04466	1.0
161.02364	0.6
161.04536	0.4
163.00328	0.6
163.03976	1.4
165.01866	1.2
166.99799	2.5
167.03346	0.4
168.00595	15.2
169.01381	46.9
170.01781	1.7
171.04547	0.6
173.02385	0.4
175.03931	0.7
177.01904	1.6
179.03485	0.8
181.01352	1.7
187.03941	1.5
192.97789	0.4
193.01405	0.8
193.98547	32.3
194.99295	8.8
195.02971	1.4
195.99695	0.4
199.03984	0.6
203.03458	0.5
211.02455	3.0
213.02031	0.6
213.05638	1.0
214.02658	1.0
215.03560	1.6
215.07079	0.6
225.04062	0.4
231.03020	0.7
241.03435	0.7
242.02196	0.5
243.02960	1.1
243.06641	0.9
253.03525	0.3
259.02539	1.2
286.01309	0.6
287.01935	1.2
295.04791	0.4
296.05402	2.3
297.06229	4.7
313.05701	14.5
314.06140	1.5
315.07233	2.3
327.25595	0.4
335.22556	0.8
357.26556	9.7
358.26956	2.8
359.28064	3.0
386.16940	0.4
390.37650	0.3
403.06879	1.2
422.08612	6.0
423.09052	0.6
441.61700	0.4
449.07358	30.0
450.07693	3.5
466.07626	26.8
467.07751	2.5
497.27353	0.8
513.14252	1.3
521.32904	0.5
556.30188	0.4
557.13135	100.0
558.13440	16.9
558.22253	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.131
Annotation	2,3,4',5-Tetrahydroxystilbene 2-O-beta-D-(3''-O-galloyl)glucopyranoside
Peak:m/z	Relative Intensity
55.66150	0.7
58.02328	0.7
59.01266	11.6
61.56908	0.7
61.98719	7.1
62.23149	0.6
65.00200	2.2
67.01777	1.5
69.03336	3.0
71.01266	8.0
71.58788	0.9
72.99214	0.9
73.02824	1.3
75.00753	1.0
79.01779	1.3
81.03346	1.4
83.01290	1.3
85.02854	2.4
87.00772	1.6
89.02349	1.9
91.01791	19.2
93.03354	1.9
95.01266	4.4
96.95874	0.6
96.99245	0.6
97.02861	2.3
101.02368	3.1
107.01297	13.8
107.04940	1.6
108.02088	23.1
109.02872	19.9
110.03215	0.6
111.00799	4.0
113.02353	2.9
119.03454	1.0
121.02889	2.5
123.00793	22.0
123.04435	1.5
124.01669	3.3
125.02369	67.4
126.02686	2.0
127.00317	1.1
135.00812	21.8
136.01164	1.0
136.98744	2.0
137.02382	9.6
139.00311	5.3
140.01112	4.8
141.01869	1.9
145.02890	1.8
147.04475	0.7
147.12714	0.6
149.02437	1.4
149.99542	2.2
151.00323	13.2
151.03906	1.6
152.01096	25.9
153.01898	15.6
159.04556	1.0
161.02423	1.5
161.04500	1.6
163.03963	1.4
165.01939	2.4
166.99751	1.3
168.00583	8.3
169.01384	95.1
170.01707	3.9
177.01921	1.7
178.86809	0.6
179.05803	0.7
193.01419	1.8
193.96747	1.4
193.98549	31.0
194.99327	37.0
195.99634	1.7
197.06053	1.3
199.04019	0.9
211.02470	2.2
212.84100	0.6
213.05574	2.2
215.03485	1.5
215.07205	1.1
223.02490	1.2
241.03630	0.9
242.02319	0.9
242.05907	0.9
243.03160	4.5
243.06653	92.5
244.06975	6.8
258.01660	0.7
259.02615	0.9
271.04825	0.9
286.01349	1.1
287.02045	4.5
289.07425	0.8
312.05188	0.9
313.05722	60.9
314.06097	4.1
315.07294	9.0
316.07297	0.8
335.22366	9.3
336.22818	0.7
339.03766	0.8
357.26468	4.9
358.26981	1.3
359.27936	2.0
400.68689	0.7
405.07449	1.3
405.12094	15.4
406.12256	1.8
422.08640	2.0
442.53766	0.7
449.07349	89.1
450.07660	11.4
466.07629	19.4
467.07916	3.0
497.27332	0.9
521.32758	0.9
552.61841	0.7
557.13129	100.0
557.25250	3.1
558.13397	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	100.0
61.98717	8.6
71.60561	2.2
71.60941	1.7
74.82209	1.2
76.51435	1.4
96.95920	1.5
97.06521	1.4
125.02377	4.6
130.10892	1.3
142.01173	1.4
143.86095	1.4
147.11737	16.7
148.12097	9.7
149.12387	3.0
156.51321	1.3
169.01422	2.8
183.13939	1.8
209.11845	25.8
211.13414	36.4
212.13834	1.6
217.00246	1.9
227.12845	2.7
300.99921	3.3
459.26828	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	555.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01110	2.1
59.01455	1.4
61.98560	1.8
61.98927	1.2
69.30312	1.0
69.30727	2.2
69.78370	0.3
69.93957	0.3
71.01121	0.8
77.70380	0.3
85.02724	0.4
86.00417	0.3
87.04298	0.4
88.51609	0.3
89.02151	0.8
89.02667	0.3
89.13374	0.3
96.95766	0.6
99.48631	0.3
101.02179	0.8
101.02763	0.3
113.02206	0.4
114.79276	0.3
121.02793	0.3
123.00626	0.7
125.02151	2.3
137.02234	0.5
145.02748	0.7
151.00105	0.6
161.04378	0.5
163.03831	0.3
168.00392	0.3
169.01357	2.6
185.11603	1.3
197.02049	0.8
297.24249	1.0
300.99936	0.9
309.24380	0.9
313.05414	0.3
325.24115	0.5
327.25482	7.5
328.25821	0.9
333.20822	0.7
339.25485	2.9
340.25952	0.3
355.24908	0.5
357.26544	100.0
358.26880	11.2
359.01999	0.3
399.27362	0.4
403.01062	4.0
404.01349	0.4
413.32840	0.3
555.06104	3.9
555.15839	0.6
555.30109	15.3
556.06903	0.6
556.30359	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	555.2857
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
51.06384	0.3
59.01258	0.9
61.98705	0.9
63.96126	1.1
69.03352	0.5
70.64119	0.9
71.01271	7.1
72.99193	0.3
73.02824	2.0
78.98479	5.2
79.95625	9.0
80.96410	64.8
81.03343	1.0
81.96356	0.3
83.01276	0.4
85.02843	2.7
87.00772	2.6
88.85181	0.2
94.97984	15.3
95.01287	0.4
96.46179	0.2
96.95917	0.8
97.02856	1.4
99.00774	0.5
99.04388	0.3
101.02348	2.8
106.97993	2.7
113.02354	0.3
122.97501	4.8
125.02374	3.5
126.02670	0.3
127.03947	0.6
134.97502	4.0
136.99063	1.7
146.97554	0.3
148.99083	5.9
152.98572	7.5
164.98590	11.3
167.00139	0.4
179.00114	0.4
182.99623	2.3
188.30969	0.2
206.99680	3.1
208.93185	0.3
225.00746	20.4
226.01154	0.4
243.01833	1.9
255.23323	3.3
256.23679	0.5
299.04495	3.1
555.28528	100.0
556.28857	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01143	2.8
59.01475	1.1
61.81155	0.4
61.98590	2.1
61.98940	0.7
70.98721	0.8
71.01161	0.9
71.01530	0.7
75.00650	0.9
88.98591	0.8
89.02242	0.8
91.95696	0.3
96.95772	0.5
101.02230	0.6
112.03860	0.7
113.02242	0.5
123.00693	0.7
123.04313	0.4
125.02190	1.7
128.03279	0.3
137.02280	0.7
141.80312	0.3
161.04279	0.5
169.01311	1.9
185.11581	1.3
197.02089	0.7
199.13300	0.5
309.24576	0.4
320.35410	0.4
325.23868	0.5
327.25415	6.2
328.25772	0.8
333.20837	0.5
339.25665	1.8
354.72400	0.4
357.26529	100.0
358.26862	10.8
403.01001	0.6
541.78003	0.4
555.29962	14.0
556.30176	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24584	0.4
59.01270	0.8
61.98711	2.6
63.19033	0.4
63.96129	0.6
71.01277	6.3
71.53590	0.6
73.02847	1.3
73.39425	0.5
78.98485	6.2
79.95613	9.7
80.96409	67.0
81.03337	0.8
82.85233	0.5
85.02835	3.3
87.00771	2.6
94.97984	14.4
96.95928	0.7
97.02853	1.7
99.00690	0.6
101.02374	2.3
106.98010	3.2
113.02230	0.6
122.97477	3.4
125.02336	3.5
134.97516	5.3
136.99042	1.1
148.99075	6.1
152.98570	5.5
164.98573	14.0
166.85870	0.5
178.65039	0.5
179.00426	0.5
206.99678	2.4
215.68300	0.5
225.00740	18.6
226.01094	0.7
255.23251	2.6
275.92783	0.5
299.04446	5.1
333.19315	0.6
490.54477	0.6
555.28522	100.0
556.28833	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	555.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03352	0.5
59.01265	6.5
61.98717	1.7
66.17223	0.5
69.30043	4.8
71.01278	2.7
73.02867	0.8
75.00789	0.6
77.03879	0.7
79.95637	0.5
83.01274	0.8
85.02853	0.9
87.00793	0.6
88.98711	1.6
89.02377	1.4
93.03363	3.3
95.01296	2.2
95.04929	0.9
96.95909	5.0
97.02898	0.6
98.19763	1.1
101.02363	1.4
107.01320	1.4
108.02109	1.0
109.02837	2.4
111.00787	1.1
113.02376	1.4
116.92891	0.5
118.22275	0.5
119.03462	0.7
119.04990	1.0
121.02882	11.6
122.03678	9.2
123.00803	3.2
123.04430	2.0
124.01601	0.7
125.02372	8.9
126.02637	0.5
132.02086	0.9
133.02898	3.4
134.03648	0.8
135.04448	2.5
136.01617	1.4
137.02394	2.4
139.00320	1.0
140.01141	0.8
145.02904	1.5
147.04460	1.8
148.01567	0.8
149.02388	58.1
149.05984	1.3
150.03172	67.5
151.00275	1.0
151.03583	2.9
159.04485	1.1
160.05278	2.2
161.02431	0.7
161.04538	1.0
161.06046	1.6
163.03954	3.5
164.04749	14.8
165.05530	68.3
166.05873	3.6
166.99815	0.7
167.03520	0.6
168.00589	0.8
169.01396	7.7
170.01744	0.7
173.06105	0.6
175.07599	1.9
177.02017	0.8
177.05565	1.7
178.06241	0.7
179.05684	0.6
179.07088	2.1
180.04236	4.0
194.09521	0.6
195.06613	39.9
196.05328	0.6
196.06934	2.5
211.02370	1.3
226.08382	0.9
241.08789	0.8
245.08331	0.5
253.08717	1.1
255.10364	0.7
265.08813	0.7
267.10361	0.7
269.08276	3.8
269.11505	2.4
270.09067	0.8
271.04831	0.6
281.08331	0.6
283.09793	1.9
283.13245	0.6
285.11438	0.5
289.07242	1.1
295.06247	0.6
296.10666	2.2
297.11383	9.6
298.08545	1.1
298.12048	2.0
299.09335	2.3
300.10083	2.0
300.99930	3.3
302.00461	0.7
311.09314	3.5
311.12997	2.6
312.09958	1.1
313.10989	1.8
314.11719	4.1
315.12378	3.9
316.12735	0.7
325.10886	2.3
326.11649	2.9
327.12494	1.7
328.13251	0.7
329.05377	0.6
329.14008	15.6
330.14322	1.7
333.17233	1.0
341.14017	6.3
342.14468	0.7
388.12817	0.5
419.14978	0.7
422.57413	0.5
431.14880	4.7
432.15616	0.8
433.16577	3.5
434.16858	1.2
447.14633	0.7
461.16266	1.0
462.16907	3.9
463.17526	1.8
477.19299	15.7
478.19595	2.0
479.20990	0.6
489.19507	1.9
492.17926	2.2
493.17596	0.6
507.20355	100.0
508.20691	17.3
537.21167	1.1
554.32581	1.5
555.22333	10.6
555.32843	1.2
556.22198	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	555.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58592	0.5
59.01275	2.8
67.01784	1.7
69.03347	1.0
69.90977	2.6
71.01269	3.4
72.99188	1.6
73.02827	1.6
75.00768	1.1
76.22221	0.5
79.01786	1.3
83.01294	1.3
85.02836	1.6
87.00756	1.2
87.04403	0.9
88.41669	0.5
89.02328	1.1
89.05976	0.5
95.01281	2.2
96.95905	2.0
97.02818	1.4
99.00737	0.8
101.02338	1.9
103.00310	0.5
107.01283	7.3
111.00809	3.0
113.02367	1.3
117.60500	0.5
122.99908	0.8
123.00801	12.4
124.01569	1.6
125.02373	37.8
126.02671	1.5
127.00261	0.6
129.01852	0.7
136.98813	1.5
137.02370	1.2
139.00311	5.7
140.01125	4.2
141.01834	1.7
149.02342	0.6
151.00308	8.4
153.01947	0.9
161.02377	0.6
163.03871	0.6
165.01764	0.6
165.05629	0.7
166.99829	1.4
168.00603	9.1
169.01392	49.7
170.01697	2.1
175.02492	1.3
177.04018	1.8
179.03419	0.8
181.04968	0.6
195.05081	1.7
211.02504	6.5
237.04126	0.6
271.04660	7.7
295.04819	0.6
300.99973	2.8
302.00287	0.8
313.05884	2.5
329.05200	5.2
331.06894	1.1
341.31839	0.6
347.06223	3.6
349.19586	0.5
369.11896	0.6
385.11499	6.7
386.11749	0.8
403.12531	24.1
404.12982	1.5
555.13605	100.0
555.20868	6.8
556.13989	15.4
556.21423	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57462	0.4
58.15430	0.3
58.41812	0.3
59.00995	0.4
59.01264	5.2
61.98718	2.7
69.29322	1.9
69.29745	1.5
69.82593	0.3
76.90132	0.3
78.95363	0.6
78.95796	6.6
80.96419	0.5
96.96802	0.4
98.20516	0.6
125.02335	1.2
152.99512	1.2
163.00258	0.5
168.04297	1.7
168.05518	0.3
169.01389	1.8
175.02419	0.5
224.06854	0.9
242.07956	2.6
261.22360	0.4
279.23349	100.0
280.23660	9.4
301.00089	1.5
380.89273	0.3
398.67514	0.3
411.29785	0.3
504.31091	40.5
505.31473	6.2
554.27264	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51269	0.1
55.01772	0.1
59.01265	23.9
60.01587	0.1
61.98742	0.2
70.62636	0.3
70.63040	0.4
78.95794	17.8
85.38297	0.2
96.96854	0.3
98.20061	0.3
111.24969	0.1
112.06016	0.2
122.98463	0.4
134.98450	0.2
152.99525	2.8
168.04257	2.9
169.01395	0.2
194.05745	0.2
224.06927	7.5
225.07246	0.3
242.07994	1.8
255.23328	100.0
256.23672	9.1
268.99008	0.1
300.99915	0.2
435.25714	0.2
480.31039	67.2
481.31400	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	553.282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20467	0.1
53.28687	0.1
55.01773	0.3
57.03338	0.3
58.20958	0.1
59.01260	0.3
61.98721	0.8
65.03848	0.5
65.55404	0.1
67.05406	0.5
69.03345	0.2
70.33896	0.1
70.34468	0.3
70.34857	0.3
71.01283	0.2
71.04910	0.2
72.99213	0.3
73.02842	0.7
79.05443	0.2
81.03410	0.1
83.01287	0.1
83.04914	0.4
84.87863	0.1
85.02845	1.5
87.00788	0.2
87.04379	0.1
93.03375	0.8
93.06959	0.2
93.62431	0.1
95.04928	0.8
97.02880	0.2
97.06479	0.1
98.19876	0.1
99.04419	0.3
101.02381	0.1
105.07012	0.1
106.04149	0.1
107.04964	0.3
109.02865	1.7
109.06489	0.3
111.04472	0.6
111.08061	0.2
113.05998	0.2
119.04927	0.5
119.08579	0.2
121.06485	0.4
122.03677	0.2
123.00864	0.1
123.04452	0.7
123.08052	0.3
125.02363	0.5
125.06039	0.5
133.06543	0.5
135.04445	0.6
135.08115	0.4
136.05193	0.1
137.06013	0.5
138.03136	0.2
139.07558	0.2
143.04984	0.2
143.08617	0.2
144.05705	0.2
145.06541	0.2
145.10170	0.4
147.11734	100.0
148.12074	5.0
149.05983	0.7
149.09595	0.1
151.07597	0.5
155.08594	0.2
157.06551	0.1
159.04558	0.2
161.06075	0.5
161.09639	0.3
162.06831	0.3
163.07552	0.6
164.04787	0.1
165.05545	0.2
167.07141	0.3
169.01405	0.3
171.08110	0.6
172.05286	0.3
173.06023	0.3
173.09674	6.5
174.06747	0.1
174.10052	0.3
175.02470	0.2
175.07594	0.4
175.11217	0.4
177.09167	0.2
178.06355	0.3
179.07089	0.3
183.11658	0.1
185.06085	0.3
185.09702	2.3
186.06850	0.3
186.09946	0.2
187.07591	0.3
187.11249	0.3
188.08316	0.2
189.09175	0.2
190.09946	0.2
191.10712	1.0
197.09706	0.3
199.07646	0.3
199.11241	0.3
201.09184	0.5
203.07034	0.2
203.10777	3.8
204.11015	0.3
205.08643	0.2
209.09535	0.2
211.11398	0.3
212.08177	0.1
213.09207	0.2
215.07150	0.2
215.10789	0.5
219.10159	0.2
221.09880	0.2
221.11891	0.4
223.07578	0.2
225.09224	0.2
225.12915	0.2
227.10774	0.5
228.07773	0.1
229.08620	0.1
229.12303	0.2
231.10281	0.2
233.11809	1.2
237.09225	0.3
238.65878	0.1
239.10828	0.4
239.14597	0.2
241.12396	0.3
243.10307	0.2
245.11855	0.1
249.09264	0.2
250.10066	0.1
251.10785	0.3
252.11595	0.2
253.08879	0.1
253.12540	0.1
254.09496	0.2
255.10356	0.2
255.13916	0.3
257.11862	0.4
262.10037	0.2
265.12427	0.4
266.09506	0.1
267.10266	0.2
267.14001	0.5
268.11060	0.2
269.12088	0.2
269.15543	0.3
275.13086	0.2
277.12482	0.7
279.13913	0.3
280.11035	0.3
283.13458	1.0
285.11285	0.4
285.14954	0.3
292.11179	0.2
295.13480	2.2
296.13907	0.2
298.12186	0.2
299.98718	0.1
301.00009	0.5
301.14609	1.1
307.13431	0.7
311.12933	0.1
313.14523	4.8
314.14920	0.4
319.15445	0.2
325.14511	0.9
326.15186	0.1
331.15573	3.4
332.16095	0.3
341.14102	0.3
343.15628	1.1
344.15671	0.1
349.16620	0.8
361.16736	0.5
371.05615	0.1
379.17914	0.2
443.26172	0.2
535.27435	0.4
553.13489	0.1
553.28601	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.4
57.03331	0.9
59.01268	1.8
59.45427	0.4
61.98721	4.6
64.55988	0.4
65.03835	0.5
71.60651	0.6
73.02836	0.5
79.56110	0.4
83.04928	1.1
83.98557	0.4
85.02835	1.4
87.00771	0.5
93.03382	1.3
95.04884	0.5
96.95941	0.5
97.06512	0.5
109.02876	2.4
111.04429	1.8
111.08085	0.6
113.02386	0.5
117.49732	0.4
119.04928	0.7
121.06566	0.5
122.03714	0.6
123.04483	0.8
123.08085	0.6
125.02391	1.3
125.80636	0.4
135.08121	0.7
136.05179	0.6
139.07573	0.6
142.72195	0.4
147.11739	100.0
148.12065	5.5
149.06068	1.3
151.07663	0.6
151.26418	0.4
153.05484	0.6
161.09674	0.5
163.07613	1.1
167.07103	1.1
169.01385	1.8
171.08157	0.5
173.09694	6.4
175.02495	0.7
175.07635	1.0
175.11201	0.9
177.09161	0.4
179.07086	1.2
187.07591	0.8
189.09172	0.5
190.06377	0.5
191.06976	0.4
191.10739	1.8
201.12938	0.5
203.07082	0.5
203.10786	1.7
213.09171	0.4
215.10771	1.0
216.07910	1.0
219.10309	0.7
221.11722	0.5
227.10808	0.5
231.10271	7.0
232.10822	0.8
233.08238	0.6
233.11877	1.6
237.09264	0.5
249.11380	2.1
251.10654	0.5
252.37193	0.4
269.15341	0.5
273.11377	1.0
277.21765	2.5
278.22263	1.7
282.55539	0.4
283.85324	0.4
295.13535	1.5
301.00027	2.2
313.14587	3.1
314.14804	0.5
325.14493	2.5
331.15573	4.2
343.15561	1.0
359.52069	0.5
361.16702	0.7
502.29709	0.7
503.30173	0.9
553.27856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.4
57.35436	0.5
59.01259	2.7
65.00211	0.7
67.01778	1.2
69.03358	1.0
71.01279	2.7
71.61765	0.5
72.99205	0.7
75.00785	0.5
79.01788	0.8
80.11860	0.5
81.03342	0.6
83.01282	1.5
85.02859	0.8
87.00777	0.6
89.02345	1.3
95.01324	2.5
96.95921	1.0
97.02862	1.0
101.02353	1.5
107.01311	2.8
109.02839	3.8
111.00774	2.0
113.02369	1.7
119.04910	0.5
121.02877	3.4
122.03667	1.6
123.00822	5.9
123.04465	1.5
124.01585	1.5
125.02374	15.9
126.02679	1.4
133.06479	0.6
135.04445	1.7
136.98842	0.7
137.02383	12.4
138.03149	3.7
139.00316	5.0
139.03941	3.2
140.01038	0.7
141.01875	1.4
147.04483	2.4
149.05992	0.6
150.03163	0.6
151.00336	0.8
151.03967	4.1
152.04716	2.7
153.01810	0.5
153.05441	0.6
154.02731	0.7
159.04352	0.6
160.05179	0.6
161.02380	0.5
161.04550	0.6
161.06015	1.4
162.03229	0.9
163.00336	1.0
163.03922	1.6
164.04660	0.9
165.01862	2.2
165.05516	5.7
166.02637	0.8
166.99812	10.8
167.03322	0.6
168.00581	2.3
169.01385	14.3
170.01813	1.9
171.01857	0.6
175.03984	0.8
175.07478	0.9
177.05516	2.1
178.06247	0.6
179.03473	0.7
179.07092	2.3
180.04233	2.3
180.07835	1.2
181.05043	6.7
184.03821	0.8
185.00864	2.1
190.99811	1.1
191.07086	0.6
193.05093	0.5
194.05853	2.8
195.06618	13.0
199.71974	0.6
207.06609	2.1
209.00684	0.5
209.08255	2.4
211.02490	3.0
221.04469	0.5
223.09734	0.4
227.09073	0.4
233.00851	0.6
247.02498	0.7
269.03146	2.0
271.04660	3.8
275.01880	0.6
287.04135	0.6
300.79883	0.5
300.99893	4.3
302.00314	0.7
329.05249	2.0
331.06885	0.6
331.11865	3.9
343.11884	0.6
345.13583	1.8
346.14252	0.7
347.06396	1.7
353.92841	0.6
361.12970	8.8
361.16879	1.0
362.13358	0.9
373.16730	0.8
376.15356	14.3
377.15735	2.2
391.17737	100.0
392.18073	12.4
454.55231	0.8
462.54584	2.3
463.04990	0.7
476.54636	3.7
477.04669	2.1
535.18427	1.6
553.11823	1.6
553.19421	8.3
554.11835	0.7
554.19708	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	553.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57701	0.6
55.01774	3.2
57.03344	3.4
58.00474	1.9
59.01269	50.8
61.98725	3.9
62.91340	0.6
63.72729	0.5
67.01789	0.8
68.99707	0.7
69.03341	2.7
69.66866	1.1
69.67281	3.2
71.01273	61.0
72.01628	1.1
72.86180	0.5
72.99201	4.1
73.02843	15.5
75.00737	0.9
78.95838	0.8
79.01789	0.9
81.03339	1.4
83.01283	7.8
85.02847	19.9
85.99984	0.6
87.00776	4.5
89.02342	35.7
90.02650	0.8
93.03358	1.3
95.01296	3.4
96.95933	1.3
97.02859	4.1
98.02331	1.0
99.00795	5.6
99.04382	0.7
101.02354	32.7
102.02720	1.4
107.01303	2.1
109.02880	1.3
111.00787	9.6
113.02360	16.1
115.03953	1.4
117.03396	1.3
118.84708	0.6
119.03407	2.0
119.04948	1.2
119.49862	0.6
123.00776	3.8
123.04443	1.0
125.02370	19.0
129.01843	1.1
131.03433	16.1
136.98688	0.7
137.02383	1.1
139.00291	2.4
140.01067	0.8
143.03433	3.4
145.02890	3.7
149.04500	13.1
151.00330	1.8
159.02901	2.4
159.04395	0.6
161.02405	0.9
161.04507	12.7
161.05861	1.2
163.00330	0.9
163.03937	1.9
165.01869	0.7
166.99873	0.8
168.00522	1.5
169.01378	14.7
175.03865	0.9
177.01849	0.6
179.05586	0.7
187.03970	0.8
191.05650	2.8
211.02507	1.0
215.05623	1.0
233.06693	5.8
279.56253	0.6
289.07153	1.8
293.08801	6.3
294.08908	0.7
301.00076	3.3
331.24677	0.9
343.12015	1.5
361.13019	21.7
361.17633	1.0
362.13367	2.8
383.13602	1.0
401.14758	3.6
412.08969	0.7
493.17288	100.0
494.17654	15.9
499.81473	0.6
539.11115	1.2
553.15802	16.0
553.23328	2.3
553.32086	4.4
554.16742	2.7
554.23877	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23681	0.7
55.01773	1.5
57.03334	1.1
59.01262	7.2
60.99183	2.1
61.98735	1.2
65.00212	2.4
67.01777	8.2
69.03339	3.7
69.74066	5.5
71.01276	7.6
72.99198	1.7
74.96762	0.8
75.00759	1.6
79.01793	1.4
80.99738	0.9
83.01280	4.1
85.02847	2.1
87.00797	2.6
88.98700	12.9
89.02341	2.8
95.01282	26.7
96.95900	5.4
96.99250	1.1
97.02852	4.0
98.02413	0.9
99.00778	2.5
101.02351	4.0
107.01293	5.5
109.02879	2.1
110.00002	1.4
111.00799	24.3
111.01952	1.2
113.02343	5.2
119.03399	0.9
120.99258	0.8
121.02857	1.0
123.00801	36.9
123.04403	1.3
124.01595	2.0
125.02367	27.5
125.06088	0.8
126.02733	1.7
127.00266	1.8
135.04500	1.0
136.01582	1.1
136.98763	2.4
137.02336	5.0
139.00302	49.8
140.00958	3.4
141.01825	7.6
147.04401	0.9
149.02353	1.2
151.00282	7.3
151.03906	1.7
163.00313	2.3
163.04047	1.7
165.01872	1.4
165.05544	1.1
165.99071	4.6
166.99811	100.0
168.00522	9.0
169.01379	42.0
170.01735	3.6
175.04048	1.8
177.01895	1.4
178.99811	2.8
179.03482	1.2
179.10776	1.5
181.01459	1.6
182.99292	1.2
184.00056	0.9
185.00874	21.8
191.03476	1.7
193.01340	1.6
203.03625	1.1
210.01575	0.8
211.02455	12.8
212.02849	1.5
212.97754	0.9
214.02753	1.4
227.01752	1.1
241.03600	1.2
242.76321	1.0
243.03059	1.7
247.02328	0.9
269.03217	1.0
271.02426	5.6
271.04874	14.3
272.02682	1.1
287.02005	3.9
289.07300	1.7
300.02823	3.0
300.99982	6.4
301.03250	1.5
302.00262	1.7
308.03482	0.9
311.13043	1.8
313.05823	3.3
316.02292	23.0
317.02859	6.2
329.05209	3.0
331.06784	3.3
387.09558	1.0
391.17703	5.3
462.54846	1.9
463.08698	27.7
464.09369	2.7
476.54562	2.8
529.53345	1.2
535.18323	56.3
536.18646	8.7
541.20502	0.8
553.19489	50.7
554.19745	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	553.1582
Annotation	Arillanin G
Peak:m/z	Relative Intensity
52.11309	0.3
55.01777	0.4
57.03369	0.3
58.48542	0.2
59.01270	6.1
61.51974	0.3
61.98722	9.8
61.99048	0.5
65.00188	0.6
66.50589	0.3
67.01777	1.1
68.99701	0.6
69.03356	1.2
69.43304	1.1
69.43742	1.2
71.01279	3.9
72.99207	1.1
73.02837	0.8
75.00781	0.3
79.01796	0.7
81.03347	0.4
83.01295	1.1
83.24925	0.2
85.02424	0.3
85.02837	1.7
87.00823	0.7
89.02342	2.1
93.03381	0.7
95.01292	2.5
96.37380	0.2
96.95914	0.7
97.02842	1.3
99.00771	0.5
101.02343	2.1
107.01302	6.8
109.02888	0.7
110.00014	0.5
111.00800	3.0
113.02367	1.4
116.92784	1.4
117.22120	0.3
119.03403	1.2
119.04949	0.5
122.99906	0.7
123.00806	12.1
123.04420	0.7
124.01636	2.1
124.41718	0.2
125.02371	37.4
126.02724	1.0
127.00309	1.3
133.02919	0.3
135.04483	0.6
135.86412	0.3
136.98740	2.2
137.02397	1.6
138.03090	0.3
139.00314	4.6
140.01099	4.6
141.01886	1.6
145.02907	1.0
145.66782	0.2
149.02426	0.6
151.00319	7.4
151.04019	0.5
153.01875	1.1
154.99783	0.5
161.02393	0.6
161.04538	0.7
162.03250	0.3
163.00256	0.4
163.03973	0.7
165.01929	0.7
166.99858	1.0
167.03516	0.4
168.00603	8.8
169.01387	40.3
170.01740	1.7
175.03967	0.5
177.01917	0.6
177.05577	0.3
179.03419	0.4
179.05539	0.7
181.01414	0.3
181.04945	0.4
191.03455	0.3
193.01366	0.4
193.05060	0.4
203.03476	0.3
205.01506	0.4
209.04767	0.3
211.02477	2.1
217.01486	0.3
229.01363	0.5
237.04050	0.9
271.04703	1.0
289.07339	1.3
295.04636	0.4
301.00000	2.2
313.05655	1.1
331.06473	0.4
331.19202	0.3
331.25107	0.4
336.38373	0.3
357.15546	0.3
367.14099	0.7
383.13583	7.3
384.13861	0.6
401.14642	19.7
402.14999	1.9
493.24893	1.1
512.05554	0.4
553.15747	100.0
554.16119	14.9
554.22882	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	1.8
60.40724	0.2
61.98720	5.2
70.74297	0.6
78.95372	0.5
78.95799	6.8
80.96386	0.3
83.89933	0.2
90.20840	0.2
94.17451	0.2
98.19919	0.2
102.01403	0.2
121.49150	0.2
124.52618	0.2
127.07516	0.3
152.99516	1.1
168.04268	1.9
168.65504	0.3
205.19618	0.3
224.07004	1.4
233.22726	0.5
242.08020	3.4
249.05302	0.2
259.20709	0.6
275.20313	0.3
277.21786	100.0
278.22141	10.0
351.37033	0.2
360.81418	0.3
365.59238	0.2
502.29550	45.2
503.29868	7.4
555.41248	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	4.9
61.98721	4.9
68.89320	0.7
78.95793	29.2
91.26009	0.7
96.96893	0.6
152.99568	4.0
168.04306	4.0
169.01392	1.0
177.81995	0.6
224.06935	11.4
229.65588	0.6
233.22951	0.8
242.07950	3.2
253.21809	5.3
275.20535	0.6
277.21793	100.0
278.19357	1.2
278.22159	11.0
300.99808	0.9
446.79700	0.7
478.29446	1.9
502.29532	98.5
503.29807	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	551.2515
Annotation	Fischeroside A
Peak:m/z	Relative Intensity
53.00187	0.3
55.01777	0.3
57.03337	0.3
59.01267	5.9
61.98717	2.2
67.01780	1.0
69.03334	0.8
71.01271	6.0
71.16959	0.5
71.17306	0.3
72.99206	1.4
73.02837	1.6
75.00749	0.6
79.01769	0.7
81.03348	0.3
83.01286	1.2
85.02839	2.9
87.00776	0.5
88.98714	0.3
89.02342	2.8
93.03366	0.4
95.01296	1.8
97.02838	0.6
99.00768	0.8
101.02349	4.0
107.01287	3.0
109.02802	0.3
111.00800	2.5
113.02367	2.5
117.80573	0.2
119.03419	1.0
119.04940	0.5
119.16322	0.2
120.99579	0.4
123.00806	13.0
123.04411	0.4
124.01562	0.9
125.02374	16.0
126.02686	0.6
127.00295	0.8
135.04453	0.3
136.01495	0.3
136.98740	1.8
137.02365	0.7
139.00308	3.6
140.01094	3.5
141.01868	1.4
141.03571	0.3
143.03413	0.4
145.02885	0.9
150.99129	0.4
151.00320	8.5
151.04010	0.4
152.00633	0.3
152.57242	0.3
153.01848	0.8
159.02989	0.3
161.02434	0.3
161.04488	1.1
161.05920	0.4
163.03943	0.4
165.01801	0.3
166.99800	0.5
168.00601	5.7
169.01385	22.2
170.01721	0.8
177.04037	1.4
179.05542	0.8
181.01360	0.3
193.01352	0.4
205.05168	0.3
211.02480	2.5
257.15530	0.8
265.07330	0.6
271.04730	0.9
281.20905	0.3
285.18665	1.4
289.07312	0.4
299.92416	0.3
300.99762	0.5
313.05664	2.0
329.05176	0.4
329.17545	2.5
343.18842	0.3
343.28635	0.5
361.10452	0.4
389.19205	0.4
478.05615	0.3
491.23087	0.4
505.33994	7.7
506.34320	0.6
551.25085	100.0
552.25409	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70956	0.3
55.01767	0.5
57.03343	0.3
57.52453	0.3
59.00993	0.3
59.01268	5.7
61.98718	6.5
65.00230	0.3
67.01769	1.1
68.99703	0.3
69.03340	0.5
71.01274	3.7
71.48009	0.2
71.48385	0.4
72.99202	0.9
73.02837	0.7
75.00764	3.9
79.01800	1.1
83.01277	1.1
85.02840	2.0
87.00776	0.5
89.02347	1.2
95.01296	1.9
96.95940	0.5
97.02848	0.7
99.00775	0.4
101.02359	2.3
107.01302	3.9
109.02811	0.3
109.99986	0.3
111.00809	2.3
113.02383	1.4
115.78713	0.3
119.03450	0.4
123.00807	15.0
124.01585	0.8
125.02374	16.8
126.02682	0.7
127.00303	0.7
136.98776	1.6
137.02353	0.6
138.03159	0.3
139.00323	4.6
140.01097	3.5
141.01878	1.9
151.00314	11.3
151.03856	0.3
152.46057	0.2
153.01898	0.8
163.03903	0.3
166.66942	0.3
167.03383	0.3
168.00609	4.6
169.01387	24.1
170.01701	1.0
179.03467	0.3
181.04919	0.3
209.04701	0.5
211.02492	4.8
223.02274	0.3
253.03526	0.3
257.19504	0.4
271.04654	4.8
272.04932	0.4
301.00018	0.6
313.05710	2.0
401.11072	0.3
491.28348	0.5
551.25104	100.0
552.25494	15.3
552.34119	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.3
55.83341	0.2
57.03310	0.3
57.29461	0.2
59.01263	6.8
60.01606	0.2
61.98718	4.9
67.01772	0.9
68.99694	0.2
69.03337	0.8
71.01270	4.2
72.99200	1.0
73.02850	0.5
75.00755	0.5
78.95795	1.0
79.01791	1.3
81.03339	0.2
83.01299	1.0
85.02850	1.7
87.00792	1.0
89.02342	1.7
95.01285	2.3
96.95895	0.7
97.02842	1.0
99.00784	0.5
101.02348	2.3
102.98499	0.5
107.01291	4.7
110.00006	0.5
111.00801	2.9
113.02372	1.2
119.03421	0.4
120.99564	0.7
123.00803	17.1
123.04435	0.3
124.01534	0.9
125.02370	18.2
126.02713	0.7
127.00305	1.1
136.01620	0.3
136.98750	1.7
137.02391	0.4
139.00313	5.1
139.03889	0.2
140.01102	4.8
141.01881	2.6
145.73256	0.2
149.02394	0.2
151.00316	11.3
151.03918	0.8
152.00731	0.3
152.99464	0.4
153.01878	0.7
154.99800	0.3
163.03993	0.3
167.03387	0.3
168.00598	3.7
169.01390	25.9
170.01718	0.9
170.82220	0.2
171.10229	0.4
177.03999	1.5
179.03441	0.4
179.05618	0.2
181.04993	0.3
191.03432	0.3
200.85185	0.2
211.02481	2.4
223.02542	0.2
249.06172	0.5
253.03560	0.4
257.19489	2.6
258.19836	0.2
271.04630	1.9
283.04843	0.5
313.05707	1.4
329.05225	0.3
343.15509	0.2
344.15692	0.2
345.16183	0.3
387.27191	0.2
551.25073	100.0
552.25433	16.8
564.74927	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13762	0.2
57.03332	1.4
58.00462	0.3
59.01266	6.9
61.98714	1.2
70.53604	0.6
70.53978	0.6
71.01271	4.2
72.99197	0.6
73.02842	0.7
75.00755	0.3
76.64552	0.3
78.85483	0.3
83.01292	0.6
85.02856	1.6
85.85696	0.2
87.00739	0.2
89.02320	2.2
91.97536	0.2
93.03366	0.7
95.01305	0.9
99.00754	0.3
101.02347	2.6
107.01291	0.5
111.00841	0.4
113.02375	1.7
117.03380	29.8
118.03731	1.1
119.03516	0.6
119.04946	14.6
120.05293	0.7
121.02885	1.1
123.00794	1.2
123.04402	0.4
125.02367	3.3
132.05730	0.4
133.06540	2.4
135.04442	0.3
137.02338	0.4
139.00305	0.5
145.02892	100.0
146.03230	4.8
151.00346	0.6
159.04402	0.3
159.57256	0.3
161.02356	0.5
161.04607	0.4
161.06024	7.3
163.03963	21.2
164.04393	1.0
165.01848	0.3
166.99872	0.3
168.00656	0.4
169.01387	2.8
170.01848	0.6
175.04002	0.4
177.05533	2.5
187.03944	0.3
201.01900	0.3
205.05054	9.2
211.02470	0.5
229.83167	0.3
235.06236	1.2
257.00818	0.8
265.07251	3.8
269.98035	2.3
270.98703	0.4
275.02219	0.3
284.95972	0.3
285.00510	2.5
285.03339	0.4
286.00647	0.5
289.07224	0.4
297.97610	9.5
298.98065	1.5
299.02011	0.3
300.99887	2.3
312.99960	17.0
314.00446	2.1
325.09357	0.3
327.98291	0.4
327.99417	0.4
328.02319	19.6
329.02792	2.8
343.04654	39.7
344.05017	4.6
353.02994	0.4
386.53128	0.3
389.25644	0.3
399.13284	0.4
467.15552	0.4
488.22269	0.9
491.08429	0.3
491.25317	1.7
491.31744	0.3
492.25342	0.4
528.27319	0.3
551.25134	83.4
552.25470	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	551.251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37740	0.3
57.03336	1.5
59.01261	4.5
61.52268	0.3
61.98713	1.2
62.55534	0.3
69.33852	1.8
69.34262	0.8
71.01277	3.3
72.99187	0.3
73.02844	0.3
81.03343	0.3
85.02834	0.9
87.00753	0.3
89.02345	1.9
93.03374	0.6
95.01286	0.7
98.19829	0.6
99.00735	0.3
101.02358	1.6
101.04857	0.3
107.01270	0.6
111.00784	0.3
113.02361	0.9
115.00240	0.3
117.03377	23.8
118.03708	0.7
119.03511	0.6
119.04944	17.6
120.05300	0.5
121.85120	0.3
123.00800	1.1
123.04453	0.5
125.02368	3.4
132.05731	0.5
133.06566	1.8
137.02359	0.4
139.00323	0.6
140.01048	0.5
145.02888	100.0
146.03212	4.6
147.04448	0.3
151.00320	0.6
154.99789	0.4
161.02359	0.4
161.06039	6.7
161.07359	0.4
162.06354	0.3
163.00299	1.7
163.03957	25.3
164.04272	0.9
166.99754	0.3
167.03459	0.4
168.00578	0.3
169.01367	3.8
175.02483	0.4
175.03934	0.5
177.04158	0.5
177.05522	2.1
187.03969	0.3
190.02809	0.3
190.99850	0.5
201.01935	0.5
205.05040	8.7
206.05391	0.7
209.08076	0.4
211.02544	0.3
229.01389	0.4
235.06296	1.5
245.00954	0.4
249.04399	0.3
257.01053	0.5
265.07205	3.8
266.07733	0.3
273.00592	0.4
273.07730	0.7
274.01169	0.5
275.02124	1.0
299.99127	0.9
300.99927	7.5
302.00330	0.8
382.02707	0.4
399.13129	0.9
413.11609	0.3
536.62921	0.3
551.14941	3.9
551.25098	83.0
552.14825	0.8
552.25446	13.0
569.05212	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48646	0.3
55.01768	0.8
57.03331	0.8
58.00479	1.4
59.01266	32.6
60.01588	0.3
61.98712	2.9
65.87061	0.4
69.03335	0.5
71.01272	24.6
71.04899	0.5
71.60170	0.6
72.99192	1.7
73.02832	4.2
75.00770	0.6
78.95816	0.3
81.03362	1.3
83.01277	1.6
85.02850	3.7
87.00774	3.0
89.02340	40.8
90.02671	0.6
93.03380	1.0
95.01300	1.4
96.95920	1.0
97.02860	0.9
97.06489	5.9
99.00780	0.9
99.08081	1.4
101.02348	16.2
107.01293	0.9
109.02894	0.9
111.00800	0.5
113.02354	5.5
115.00260	0.4
119.03420	2.6
119.04924	2.0
121.02876	2.5
122.03653	0.6
123.00823	1.8
123.04444	3.9
124.01601	0.5
125.02367	8.7
125.09617	0.4
128.03517	0.5
131.03435	13.7
133.05014	0.7
135.04459	0.4
137.02365	0.6
137.09662	0.7
139.00275	0.6
143.03436	1.0
145.02904	1.7
149.04500	31.5
150.04884	0.7
151.00328	1.0
151.03973	0.6
153.01845	0.4
153.12796	67.6
154.13152	3.8
161.04541	1.9
161.05704	0.4
163.03976	0.4
165.01888	0.4
166.99875	0.5
167.03462	10.2
167.04883	0.6
168.00580	0.5
168.03835	0.6
169.01369	3.3
173.02359	0.4
177.01881	0.6
179.03503	1.4
179.05624	0.7
179.10741	18.9
180.11053	1.7
191.03687	0.6
191.05595	6.7
197.11815	100.0
198.12154	6.3
203.03555	0.4
205.04964	0.4
211.02454	0.4
218.99225	0.4
222.00404	0.4
233.06653	0.5
251.07692	0.9
271.04578	0.6
273.00259	0.4
273.07736	14.1
274.08029	0.9
284.95447	0.4
293.08856	15.1
294.09222	0.7
300.99933	1.9
302.00244	0.4
311.09918	2.5
313.05609	0.6
329.17633	0.6
329.23407	0.5
389.25751	0.5
399.09372	0.4
435.13000	0.6
445.81647	0.4
491.21313	5.5
491.32339	0.7
492.21805	0.8
507.15363	0.6
551.18628	0.7
551.31818	0.7
552.14392	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.7
59.01263	1.9
59.48376	0.3
65.00200	0.4
67.01757	0.6
71.01273	2.8
71.59579	0.3
72.99188	0.8
73.02836	0.6
75.00764	0.5
83.01267	1.1
85.02855	1.6
87.00771	1.3
88.00292	0.4
89.02345	1.0
93.03368	0.7
95.01297	0.9
96.95892	1.8
97.02845	0.8
101.02357	1.6
107.01246	0.8
109.02852	0.9
111.00795	0.9
113.02362	1.4
116.92783	0.6
119.03436	0.4
119.04921	0.6
121.02866	3.1
122.03672	0.6
123.00807	1.8
123.04440	0.8
124.01645	0.3
125.02372	6.7
127.00266	0.4
135.04475	0.7
136.05202	0.5
137.02374	1.7
138.03253	0.4
139.00296	2.4
139.03964	0.4
140.01100	0.4
144.14258	0.3
145.02882	2.2
147.04434	1.8
149.02361	0.4
151.00314	1.0
151.03952	1.3
152.04785	0.4
153.01872	0.8
153.05548	0.5
154.02586	0.5
158.03651	0.5
159.04465	0.4
161.02423	0.8
161.04489	0.5
161.06070	0.6
162.03137	0.4
163.00269	0.6
163.03947	5.0
164.01125	2.0
165.01935	2.4
166.02615	0.4
166.99820	0.7
167.03421	0.7
168.00534	0.6
169.01387	4.7
173.02405	0.9
173.05984	0.4
174.03178	2.4
175.03966	14.8
176.01079	0.3
176.04701	3.5
177.01915	0.8
177.05557	1.8
179.03441	1.4
180.04259	12.7
181.04839	1.1
184.56516	0.3
188.04799	3.2
189.05554	6.6
190.06329	19.8
191.03484	0.7
191.07100	15.2
192.04303	0.9
192.07362	0.7
193.05029	11.1
194.05824	7.0
203.03465	0.5
203.07138	2.4
205.08690	19.7
206.09048	1.0
207.06615	6.6
208.07399	11.5
209.04527	0.5
209.07712	0.5
211.02480	0.9
222.08981	0.5
223.09787	1.6
229.05013	0.3
243.02879	0.4
247.02512	0.5
255.03064	0.8
256.03369	0.7
257.03644	0.5
271.02405	1.4
271.06372	0.7
272.02808	0.9
273.03152	1.0
275.01965	0.5
289.07321	1.9
300.02835	2.2
300.99921	2.6
301.03339	2.5
302.03488	2.1
303.04083	1.0
344.12714	4.2
345.13022	0.6
357.38232	0.4
359.15082	100.0
360.15430	12.1
371.11487	0.5
389.16275	4.9
390.16577	0.8
403.12454	2.3
417.09698	0.5
443.45169	0.3
462.04559	0.3
476.04343	1.5
507.10596	3.9
508.10529	0.4
551.18829	2.1
551.26880	0.6
552.19519	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2148
Annotation	Alangilignoside D
Peak:m/z	Relative Intensity
54.55111	0.3
54.60451	0.3
55.01768	1.4
57.03331	1.5
58.00496	0.9
58.38765	0.3
59.01265	26.1
59.68351	0.3
60.01634	0.3
62.90475	0.3
67.01801	0.6
69.03361	0.4
69.64694	2.1
71.01274	22.2
72.01633	0.4
72.99187	2.6
73.02836	3.5
73.03178	0.3
75.00790	0.4
75.55035	0.2
83.01279	3.6
85.02844	8.2
86.00019	0.3
87.00775	2.0
89.02338	12.7
95.01292	2.7
96.95937	0.7
97.02876	0.4
99.00774	1.7
101.02349	14.1
102.02695	0.5
107.01322	1.1
109.02879	0.5
111.00835	1.9
113.02360	6.2
119.03418	5.2
121.02895	0.8
123.00792	2.4
123.04460	0.5
124.01653	2.0
125.02383	7.5
126.02698	1.7
127.02846	0.6
129.01868	0.4
134.99820	0.3
136.98752	0.5
137.02380	0.9
139.00319	1.6
139.03947	2.4
140.01097	0.5
141.01852	0.4
143.03423	0.7
145.02907	0.4
149.04526	0.5
151.00310	0.7
153.01936	0.4
153.05530	0.6
154.99832	0.5
159.03099	0.2
159.04497	1.0
161.04553	0.8
163.00317	0.4
163.03966	0.5
164.01131	0.7
165.01907	0.4
166.99866	0.9
168.00516	0.5
169.01387	7.6
170.01788	1.6
171.01868	1.2
172.02235	0.3
172.05261	0.7
173.05978	1.7
175.04036	0.8
179.05655	0.5
180.04254	0.4
187.07657	0.8
189.05580	1.0
190.06392	1.2
191.07103	1.5
193.04985	0.5
197.05989	0.3
203.07187	0.4
204.07802	0.3
205.08740	1.1
211.02478	1.4
227.07161	0.8
253.05113	1.1
256.03845	2.2
268.03946	0.6
270.05246	0.3
271.06393	2.3
273.04626	0.4
278.05872	0.4
279.06589	1.6
283.06219	1.3
285.07889	0.7
286.08380	0.3
289.07303	0.7
293.08115	0.4
294.05344	0.4
295.06216	1.6
296.06973	1.1
297.07599	1.0
298.08609	1.3
299.09311	0.4
300.10031	0.5
300.99966	2.0
309.07742	0.6
310.08527	0.9
311.09421	1.6
313.05942	0.5
316.09586	0.8
323.09363	0.3
325.07266	0.3
325.10733	1.4
326.08020	2.2
326.11429	0.4
327.08771	0.7
328.09644	1.1
329.10498	1.4
339.12350	0.4
341.10391	7.4
341.14224	0.7
342.10886	1.3
343.11914	3.3
344.08954	1.6
344.12689	0.4
355.12021	0.4
356.12784	3.4
357.13464	0.6
359.11417	11.0
359.15247	3.6
360.11758	1.0
360.15698	0.6
371.15097	3.9
372.15637	0.4
373.13208	0.7
374.13770	16.5
375.14114	1.8
389.16162	39.3
390.16519	5.5
452.03326	0.4
453.03824	0.4
454.05298	0.3
462.04999	0.4
466.02740	0.4
476.04276	1.1
521.16833	0.5
521.84656	0.3
536.19177	1.0
551.11951	9.9
551.21442	100.0
552.12567	1.1
552.21814	17.0
554.87976	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	2.6
61.61295	0.2
61.98717	100.0
69.31483	0.8
69.31918	1.2
78.95802	0.3
84.56425	0.2
96.95914	1.2
102.07269	0.2
115.86726	0.2
137.38844	0.2
487.34375	2.5
488.35214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89045	0.4
55.01777	0.7
56.25582	0.4
57.03358	0.6
57.22855	0.4
59.01264	6.6
61.98719	9.4
65.00210	0.7
67.01775	1.9
69.03339	1.6
71.01273	6.9
71.58501	0.6
72.99200	2.3
73.02827	1.4
75.00777	1.1
75.23711	0.4
79.01788	1.6
81.03372	0.9
83.01288	2.2
85.02856	2.3
87.00774	3.2
88.98707	1.2
89.02336	2.9
93.03362	0.8
95.01292	4.8
96.95911	2.1
97.02863	1.7
98.95502	1.2
99.00789	1.3
101.02353	4.2
107.01304	7.9
108.02216	0.4
109.02883	1.5
109.99986	0.5
111.00791	5.4
113.02368	1.9
115.00294	2.2
117.03388	2.3
119.03449	0.7
119.04942	6.6
121.02876	0.6
122.02430	0.5
123.00800	13.6
123.04405	1.0
124.01642	2.1
125.02370	49.3
126.02705	1.8
127.00314	2.2
129.01778	0.6
135.02942	0.5
135.04472	0.8
136.98741	2.4
137.02347	2.6
139.00307	7.5
140.01106	5.4
141.01845	1.7
142.99828	0.9
143.03491	0.6
145.02888	10.1
147.00870	0.4
149.02386	0.6
151.00320	9.2
151.03947	1.1
153.01894	1.2
154.99817	1.7
159.02966	0.7
159.04436	0.6
161.02412	1.6
161.04501	1.2
161.05948	0.9
163.00333	6.0
163.03957	6.0
164.01103	1.2
165.01892	1.8
166.99814	3.1
168.00589	9.4
169.01384	55.5
170.01756	2.0
173.02444	0.5
175.02444	3.0
175.03937	0.9
177.01849	0.8
177.04041	0.9
179.03458	0.6
179.05551	0.5
181.01352	0.6
181.04922	0.4
182.99323	0.8
189.01889	0.7
190.02672	0.4
190.99823	1.0
191.03474	1.2
193.01384	1.2
193.04955	0.7
201.02016	0.7
203.03529	0.9
205.05025	1.5
206.99388	0.9
209.00891	2.4
211.02473	3.5
217.01451	0.7
218.18674	0.4
229.01404	0.9
229.05057	0.5
240.01035	0.5
243.03017	0.5
245.00870	0.9
247.02698	0.6
258.01617	0.4
259.02530	0.5
261.04135	0.5
271.04675	1.9
273.00497	1.0
274.00772	0.4
275.02051	2.5
285.03699	0.4
289.07199	0.5
295.04663	1.3
299.99063	1.2
300.99985	6.7
302.00323	0.7
311.99445	1.0
312.99533	0.8
313.05789	1.8
313.99783	1.6
327.01294	1.1
328.01947	1.0
329.02002	1.5
329.05579	0.6
341.06168	0.4
354.31342	0.4
365.12299	0.5
381.11981	5.4
383.03406	1.6
389.03482	0.5
389.21817	0.7
399.13052	19.8
400.13306	2.1
447.06250	0.5
465.06082	1.3
471.05997	0.8
476.04160	0.5
491.24146	0.9
551.14154	100.0
551.24292	6.1
552.14502	14.8
552.23492	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	6.7
60.01609	0.5
61.98719	100.0
66.61141	0.4
71.01265	0.9
79.95638	0.3
81.74249	0.3
85.03611	0.4
87.00761	0.6
96.95930	0.5
98.19791	0.5
125.02405	0.8
139.00433	0.4
169.01431	1.1
182.88408	0.4
186.80388	0.3
212.98570	0.4
347.23605	0.4
503.91821	0.4
550.23901	0.5
551.25348	1.3
551.32886	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.34
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08601	0.1
52.84713	0.2
58.15990	0.1
59.01263	2.1
61.98718	100.0
62.37431	0.2
62.98391	0.2
69.35020	1.3
90.36248	0.2
96.95924	0.2
114.10640	0.2
487.34372	3.9
488.34808	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.8
65.00223	0.6
65.01341	0.3
67.01782	1.3
68.01297	0.3
68.99723	0.5
69.03356	1.2
71.01271	4.8
72.35795	0.3
72.99210	0.5
73.02852	0.5
75.54481	0.3
79.01791	1.2
81.03333	0.6
83.01283	1.1
85.02829	1.7
87.00768	0.8
89.02312	0.5
95.01299	2.6
96.95918	7.9
97.02869	1.2
99.00780	0.5
101.02350	1.4
107.01298	7.7
107.04948	0.4
109.02902	0.5
109.99993	0.4
110.52291	0.3
111.00774	2.6
113.02364	1.8
121.02919	0.6
123.00808	11.9
124.01655	1.8
124.81943	0.3
125.02371	45.8
126.02717	1.5
127.00290	1.2
132.57715	0.3
136.98737	1.6
137.02364	0.6
139.00301	6.1
139.03928	0.5
140.01080	4.1
141.01900	1.5
145.02852	0.4
149.02374	0.6
151.00304	7.5
151.03963	0.6
153.01857	1.2
154.99814	0.5
163.03973	0.3
164.01083	0.3
165.01897	0.9
166.99844	2.0
167.03444	1.4
168.00615	6.5
169.01384	64.3
170.01709	2.2
175.03970	0.5
177.01929	0.7
179.03433	1.1
183.02917	0.3
191.03490	0.6
193.01445	2.8
205.01549	0.3
207.02931	0.5
207.46509	0.3
211.02469	4.9
223.02477	1.5
223.04527	0.5
235.02509	0.3
237.04086	0.4
241.03568	1.3
253.03584	1.1
253.96921	0.3
271.04550	0.8
295.04672	2.3
296.05240	0.5
297.06219	2.6
300.99942	0.6
313.05722	20.5
314.06042	1.9
371.09885	0.8
380.09848	1.8
398.10986	3.7
399.11642	0.4
465.06851	24.1
466.07315	2.8
523.11169	0.4
550.12146	100.0
551.12415	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	550.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	2.3
67.01772	2.1
68.99701	1.1
69.03341	1.0
69.35431	3.7
69.35867	1.7
71.01266	3.7
72.99213	1.0
73.02843	0.9
74.45344	0.6
79.01790	1.0
83.01279	0.6
83.51820	0.7
85.02844	2.0
87.00773	1.5
89.02352	0.7
95.01286	4.1
97.02845	1.5
99.00789	0.7
101.02338	1.9
107.01295	10.9
111.00788	3.6
112.50718	0.6
113.02353	1.4
116.61483	0.5
123.00804	16.4
123.04409	0.8
124.01601	2.3
125.02371	56.6
126.02708	1.3
127.00288	1.5
136.98744	1.7
137.02380	1.4
139.00308	7.9
139.03880	0.5
140.01094	4.7
141.01851	2.5
147.04482	0.8
149.02396	0.9
151.00316	10.7
151.03877	0.6
152.42470	0.5
153.01874	0.8
154.99767	0.6
161.02350	1.0
163.03983	1.2
165.01843	0.9
166.99852	1.4
167.03473	0.7
168.00620	6.9
169.01381	64.2
170.01692	2.7
175.03978	0.7
177.01825	1.0
179.03471	1.3
191.03481	1.3
193.01372	1.6
194.99214	0.7
195.02992	0.8
196.14326	0.5
211.02496	2.6
223.02319	0.8
223.04518	0.7
243.03043	0.8
253.03642	0.6
295.04666	4.0
313.05756	12.3
314.06216	0.8
322.05490	0.8
353.08801	1.8
364.10641	0.7
371.10019	1.6
380.09943	7.4
398.10995	13.8
399.11377	1.2
465.06729	3.0
501.11249	0.6
523.10529	1.0
550.12146	100.0
551.12433	13.9
551.20776	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33256	0.8
52.83881	1.2
59.01268	100.0
59.09547	0.7
60.01606	1.0
61.98721	54.3
71.01279	18.4
71.56400	1.2
73.02842	4.7
83.01289	2.6
83.89146	0.9
85.02840	8.9
88.39778	0.8
89.02337	5.5
95.01279	1.1
96.95921	1.6
99.00778	2.4
101.02353	12.7
101.98344	0.8
113.02361	8.2
119.03439	1.6
125.02374	3.0
129.01834	1.1
137.02336	1.1
141.67751	1.1
143.03482	1.4
143.67441	1.0
151.03987	1.1
159.02979	1.9
161.04506	9.2
169.01443	1.0
327.29190	2.0
489.34494	58.6
490.34714	11.7
549.23975	2.7
549.31158	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11796	0.5
50.12023	0.5
52.11633	0.6
59.01267	54.8
60.01600	0.7
61.98723	8.6
64.51750	0.5
67.01782	0.8
68.99717	0.7
71.01265	5.4
71.05699	0.5
71.58532	0.6
71.58910	0.7
72.99205	1.3
73.02846	2.0
75.00768	0.7
79.01794	0.7
83.01308	1.5
85.02877	2.5
87.00791	1.1
88.98695	0.7
89.02338	2.6
95.01328	1.8
95.44301	0.5
96.95926	2.5
97.02880	1.2
99.00803	1.2
101.02363	3.9
107.01315	3.3
109.02881	1.5
111.00813	2.0
113.02383	2.2
121.93404	0.6
123.00809	9.8
124.01676	0.9
125.02377	17.7
126.02715	0.7
126.39040	0.5
135.04459	0.6
136.98726	1.0
137.02403	2.3
137.70428	0.6
139.00287	4.2
139.03986	0.6
140.01057	2.8
141.01952	1.2
142.63780	0.5
145.02942	1.4
151.00305	7.0
151.04004	1.6
159.02950	0.5
161.02399	1.0
161.04419	0.9
163.03960	0.8
165.01982	0.7
167.03484	0.8
168.00612	4.5
169.01396	21.3
170.01776	1.5
175.03970	1.6
177.01952	0.8
177.04036	0.6
177.93506	0.6
185.99632	0.7
191.07225	0.8
193.05081	0.7
199.16272	0.5
203.03506	1.1
205.05286	0.6
211.02483	4.8
212.02892	1.0
218.05882	1.2
254.99236	0.7
257.00897	0.8
269.98126	6.1
270.98788	0.8
271.04617	6.8
272.04855	1.4
285.00500	8.3
289.07233	1.3
297.00226	0.8
297.97641	26.1
298.98041	3.0
300.99982	1.3
312.99976	55.3
314.00391	6.0
327.01505	1.4
328.02316	56.8
329.02759	8.4
331.06839	0.8
343.04672	100.0
344.05035	11.3
350.43121	0.6
353.03177	1.5
357.26566	0.8
475.08502	1.1
485.20325	1.9
486.20862	6.8
487.21970	29.8
549.23468	51.3
549.67773	1.0
550.23822	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	549.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30412	0.2
52.19803	0.2
59.01267	1.4
61.28472	0.2
61.98707	0.8
65.89006	0.2
71.13528	0.5
71.21310	0.2
77.03863	1.3
93.03381	0.4
121.02876	100.0
122.03206	3.7
147.04462	0.3
165.01889	48.1
166.02246	2.2
167.72946	0.2
180.05754	0.6
181.06544	2.8
184.95676	0.2
197.06056	2.0
207.04544	0.9
207.08081	0.3
223.03955	0.4
225.05579	1.6
257.09698	0.6
285.09311	0.4
294.57806	0.2
313.07306	1.1
344.08774	0.2
357.06271	0.8
383.07840	0.4
412.72507	0.2
417.09875	1.8
418.10464	0.3
495.14133	0.2
505.11633	1.9
506.11966	0.4
549.10516	32.4
550.02930	0.3
550.10889	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	549.0901
Annotation	Quercetin 3-O-(6-O-malonyl-beta-D-glucoside)
Peak:m/z	Relative Intensity
59.01244	0.8
65.00201	1.2
67.43517	0.4
69.68587	2.2
71.01269	1.1
83.01279	0.9
91.36428	0.4
95.01309	0.6
96.95906	2.1
101.02315	0.8
107.01291	3.0
107.31836	0.4
108.02083	1.6
109.02842	1.5
111.00811	0.5
119.03426	0.4
121.02843	1.8
123.00777	1.5
124.01598	0.6
125.02370	2.6
135.00771	0.5
139.00357	0.7
148.01604	1.4
151.00317	10.3
152.00771	0.5
158.80341	0.4
163.00316	2.9
164.00986	0.7
165.01828	0.4
168.00551	0.4
169.01378	3.8
170.01688	0.4
178.99820	5.5
183.04382	0.4
187.03967	0.7
190.99770	0.5
192.00560	0.5
199.03981	0.8
209.00714	0.4
211.04094	0.9
215.03564	0.7
216.04248	0.5
221.31091	0.4
226.02646	1.3
227.03497	3.0
229.05042	0.9
243.03011	9.2
244.03406	0.9
245.04591	1.2
251.25461	0.4
254.02257	1.7
255.03032	25.9
256.03442	2.3
271.02530	54.8
272.02951	6.6
273.04004	1.4
283.02444	1.1
299.01993	1.4
300.02814	100.0
301.03506	46.8
302.03979	2.9
311.10406	0.7
319.70520	0.5
343.04565	0.4
355.09155	0.5
369.10956	0.7
397.08087	0.5
463.08856	3.3
505.09988	72.9
506.10336	11.1
549.09802	2.3
549.18091	0.8
549.25488	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	2.1
60.01612	0.2
61.01692	0.2
61.98717	100.0
62.98415	0.2
71.01270	0.3
71.59634	0.1
71.59973	0.1
78.95798	1.2
83.55267	0.1
89.02337	0.3
90.41478	0.1
100.03944	0.6
101.02358	0.4
102.29868	0.1
107.87299	0.1
119.03427	0.3
134.23964	0.1
320.08081	0.1
437.68051	0.3
438.18588	0.1
488.32614	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75918	0.4
59.01267	10.7
60.01601	0.5
61.98719	100.0
71.01276	1.9
71.56428	0.7
71.57108	0.3
73.02848	0.7
77.92774	0.3
85.02842	0.6
89.02360	1.5
101.02357	0.9
108.87787	0.3
113.02361	0.6
119.03416	0.4
125.02377	1.3
136.17677	0.4
139.82111	0.4
151.04016	0.4
161.04562	1.1
169.01372	1.3
249.75041	0.4
300.99985	0.5
325.24820	0.4
415.01398	0.4
485.63712	0.4
488.32880	3.1
489.33908	2.2
549.23584	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71566	0.4
58.82978	0.4
59.01266	14.1
59.01548	0.5
61.98703	0.8
68.99710	0.5
69.34939	4.0
71.01280	2.4
73.02788	0.4
83.01267	0.6
85.02799	0.5
88.98698	3.2
89.02306	1.6
95.01270	0.8
96.95918	8.0
101.02306	1.7
107.01263	1.4
109.02858	1.2
111.00760	0.6
113.02357	0.9
116.92735	1.2
117.03292	0.4
119.04903	0.9
121.02874	0.5
123.00805	2.6
123.04425	0.4
124.01478	0.3
125.01602	0.4
125.02379	6.0
126.86652	0.4
131.03400	0.4
132.02068	1.1
137.02315	1.0
139.00255	1.0
139.03896	0.5
145.02884	2.0
149.02356	0.6
151.00278	0.9
151.03940	0.9
156.02133	2.0
160.01567	1.5
161.02444	2.1
163.00305	0.4
163.03969	1.2
165.01814	0.7
166.99779	1.1
168.00548	1.0
169.00015	0.4
169.01401	6.9
172.01637	0.4
177.01845	0.5
184.01627	2.8
187.03970	0.6
188.01149	0.8
200.01128	3.4
205.04967	0.6
209.02399	0.7
211.02432	0.6
212.01135	2.6
216.00691	0.7
225.11211	0.6
228.00636	2.8
229.01378	0.6
240.00699	10.0
241.01054	1.4
241.03392	0.5
242.99344	0.4
245.00829	0.6
254.99290	1.5
256.00089	2.4
257.00778	0.7
275.02017	0.5
281.00989	1.8
282.98959	1.4
283.99667	7.4
285.00272	1.5
289.07248	1.1
300.99966	3.9
301.07523	0.4
302.56525	0.5
310.98300	0.8
311.99194	78.7
312.99820	15.6
314.00336	0.7
325.00003	1.9
327.01538	100.0
328.01862	9.0
336.99936	4.8
369.02866	0.8
427.12640	0.6
474.12540	0.4
486.19766	0.6
489.23489	0.9
548.22644	0.5
549.11700	0.8
549.22968	1.4
550.13428	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47887	0.4
57.03328	0.8
59.01267	7.8
61.98718	17.5
67.01783	0.6
69.03355	0.6
71.01273	4.9
71.58440	0.4
71.58822	0.5
72.99191	0.6
73.02852	0.6
75.00724	0.4
78.95786	0.5
79.01776	0.6
83.01264	1.2
85.02834	1.4
87.00755	0.7
88.98682	1.1
89.02353	2.4
95.01285	1.2
96.95911	0.8
97.02810	0.7
99.00754	0.6
101.02357	1.7
101.30327	0.4
107.01306	4.4
109.02896	0.8
109.99976	0.6
111.00797	2.4
113.02364	2.1
119.03366	0.6
121.02863	1.4
123.00806	9.7
123.04391	0.5
124.01583	1.6
125.02370	26.6
126.02693	0.7
127.00291	0.6
135.04433	0.6
136.98715	2.3
137.02391	1.2
139.00298	3.2
139.03934	1.0
140.01085	3.8
141.01852	1.4
145.02858	0.8
149.02420	0.5
151.00327	4.3
151.03922	0.7
161.02336	0.8
161.04498	0.5
165.01825	0.5
166.99802	0.7
167.03429	1.2
168.00604	9.9
169.01385	38.9
170.01721	1.2
177.01906	0.7
177.03999	0.6
185.11876	0.4
191.05443	0.4
193.01445	0.7
209.61246	0.4
211.02478	42.5
212.02861	1.9
241.03551	1.6
271.04648	53.2
272.04926	3.5
289.07239	0.5
300.99988	1.0
313.05923	0.9
330.60211	0.5
331.06747	3.8
351.21649	0.9
387.18121	0.8
485.20407	100.0
486.20761	13.8
548.10199	0.8
548.22571	1.1
549.23621	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	547.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54212	0.3
59.01266	100.0
60.01606	1.1
61.89806	0.2
61.98726	1.2
70.74265	0.5
70.74597	0.4
81.16711	0.2
96.95936	0.3
130.81186	0.3
169.01303	0.3
276.75131	0.2
369.91165	0.3
439.32181	1.5
469.33502	0.6
487.34531	0.7
547.36877	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.3
57.03366	0.2
59.01264	0.6
60.13901	0.2
67.01768	0.9
68.99709	0.2
69.03336	0.7
71.01264	1.9
71.10443	0.3
71.10786	0.3
72.99184	0.6
73.02811	0.2
74.09581	0.2
75.00755	0.3
79.01775	0.7
81.03348	0.4
82.02876	5.6
83.01275	0.4
85.02847	1.1
87.00768	0.8
89.02338	0.2
93.03375	0.2
95.01289	1.4
97.02856	1.2
99.00789	0.8
101.02362	0.7
107.01295	5.9
109.02864	0.2
111.00797	1.7
113.02360	0.9
119.04955	0.2
121.05865	0.2
123.00803	9.3
124.01601	2.3
125.02370	37.0
126.02724	1.3
127.00304	0.7
133.02789	0.2
135.04442	0.4
138.03166	0.6
139.00310	3.3
140.01105	3.4
141.01903	1.4
143.75291	0.2
144.04404	0.2
145.02942	0.3
149.02473	0.4
151.00319	5.2
151.03949	0.5
152.00653	0.3
153.01886	0.7
154.99756	0.3
159.02946	0.6
161.02420	0.3
163.03978	1.0
164.41512	0.2
165.01846	0.4
165.05544	0.2
166.99831	1.5
167.03423	0.3
167.99149	0.4
168.00604	8.1
169.01381	55.0
170.01706	2.0
175.03952	0.5
177.01860	0.2
177.04025	1.5
177.55962	0.2
179.03462	0.5
181.01369	1.2
181.04979	0.2
186.36652	0.2
188.03462	0.2
189.01820	0.2
189.74216	0.2
190.05038	2.0
191.03493	0.3
193.01381	0.9
193.05032	0.4
195.02887	0.3
203.03546	0.2
205.01295	0.2
207.03032	0.4
210.01717	0.7
211.02472	5.5
211.86070	0.2
212.02699	0.3
223.02455	0.5
233.91310	0.2
234.04114	1.5
237.04016	0.3
241.03514	0.5
253.03589	0.5
270.03854	2.2
271.04651	2.2
276.05130	0.7
295.04614	1.9
297.06137	0.4
311.04007	0.7
312.04816	1.5
313.05688	4.1
329.05194	0.5
330.05798	0.3
336.07346	0.9
362.08911	0.3
367.53531	0.2
378.08395	5.7
379.08783	0.7
396.04233	0.4
396.09421	6.3
397.09805	0.6
445.64520	0.2
465.06766	0.6
481.06223	1.1
482.06897	1.4
548.10583	100.0
549.10944	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	548.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01797	0.5
54.97529	0.4
55.01774	0.8
56.90724	0.4
59.01276	2.1
59.21034	0.4
65.00204	0.9
67.01776	1.9
68.99712	0.7
69.03341	1.8
69.68129	0.4
71.01260	3.6
71.07297	0.6
71.07642	1.0
72.99200	1.2
75.00770	1.0
75.78717	0.4
79.01774	2.1
81.03369	1.0
82.00506	0.6
82.02879	8.1
83.01279	1.3
85.02849	1.5
87.00784	1.4
93.03371	0.7
93.67259	0.4
95.01289	4.6
95.30106	0.4
96.24580	0.4
97.02883	2.1
99.00799	1.3
101.02359	1.2
107.01297	11.6
108.01646	0.5
109.02871	1.1
111.00799	4.3
113.02377	1.2
121.02876	0.7
123.00805	22.6
124.01617	5.3
125.02371	71.8
126.02695	1.9
127.00295	2.1
135.04497	0.6
138.03180	1.5
139.00305	8.3
139.03979	0.7
140.01096	8.7
141.01874	3.1
149.02353	1.2
151.00327	9.4
151.03934	0.6
153.01906	1.5
159.02979	0.8
162.03178	0.7
163.03983	1.5
165.01933	0.9
166.02686	1.2
166.99823	3.7
167.03462	1.1
168.00609	13.0
169.01387	78.9
170.01720	3.1
177.03996	1.6
179.03494	0.7
181.01375	1.7
189.01891	1.1
190.05037	2.9
192.00470	0.5
193.01411	1.7
210.01839	1.4
211.02480	11.8
211.04399	0.9
213.65945	0.5
223.02368	0.5
234.03992	2.9
241.03535	1.3
253.03484	0.6
270.03854	2.8
271.04538	4.1
271.06717	0.4
276.05130	2.1
295.04700	2.1
297.06296	1.7
311.04266	1.1
312.04959	1.8
313.05756	8.7
314.06036	0.8
329.05139	1.0
336.07349	1.5
378.08545	3.0
396.09448	3.7
465.06741	4.0
481.06445	1.2
482.07217	2.7
548.10583	100.0
549.10950	14.9
556.41919	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.4
57.03325	0.2
59.01265	100.0
60.01603	0.8
61.98721	1.6
71.01271	5.3
71.06268	0.3
72.99205	0.3
73.02839	1.4
78.95840	0.2
83.01300	0.7
85.02841	2.3
85.08663	0.2
89.02345	1.2
95.01302	0.3
96.95972	0.2
97.02822	0.2
99.00794	0.8
101.02345	4.5
102.52393	0.2
106.77575	0.2
113.02361	2.8
119.03415	0.5
125.02418	0.4
129.01886	0.3
136.15746	0.2
136.28073	0.2
141.66252	0.2
143.03432	0.4
159.02979	0.8
161.04518	3.8
165.12148	0.2
169.01439	0.3
179.05605	0.2
205.03543	0.3
218.86679	0.2
281.41168	0.2
325.27451	0.2
487.32910	16.4
488.33267	2.4
547.36194	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.35
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.7
57.03333	1.0
58.00480	1.2
59.01265	100.0
60.01612	0.7
61.68627	0.4
61.98715	20.0
64.17945	0.4
69.07413	0.4
69.36543	3.2
69.36953	0.6
70.64575	0.4
71.01272	20.0
72.99200	1.3
73.00404	0.4
73.02841	3.5
75.00750	0.6
77.18498	0.4
78.95824	0.5
83.01299	1.4
85.02833	5.9
86.65040	0.4
87.00768	1.4
88.00980	0.4
88.34403	0.4
89.02337	15.6
95.01307	1.9
96.95914	0.6
99.00809	1.5
100.90446	0.4
101.02351	14.5
101.03004	0.9
110.55612	0.4
113.02365	9.2
113.03156	0.4
119.03406	7.2
125.02399	1.2
131.03456	1.1
143.03452	2.6
149.04495	0.8
159.02968	1.3
160.32445	0.4
161.04510	11.4
169.01445	0.7
179.05576	3.9
209.11914	0.7
213.18642	0.8
265.96667	0.4
278.51566	0.4
311.22534	1.4
325.27759	1.6
326.27768	0.5
487.32898	45.7
488.33270	7.2
547.27576	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	45.4
61.98716	100.0
66.09081	1.7
66.75150	1.7
69.40182	16.6
71.01260	8.0
73.02806	1.9
78.95802	4.0
85.02836	3.0
89.02356	4.6
89.27105	1.8
96.95860	2.1
98.19764	3.6
101.02323	5.2
111.00742	2.3
112.06056	1.9
113.02330	2.6
119.03405	2.3
125.02394	3.8
128.88454	1.9
130.80470	1.9
151.03949	2.7
152.18605	1.9
158.84349	1.9
167.35526	2.3
169.01401	4.2
209.11810	8.2
291.03012	1.8
300.99976	2.1
311.22379	6.9
315.62088	1.9
353.70062	1.9
381.36844	2.2
465.61713	1.9
487.32935	16.1
547.27289	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	547.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.9
56.75989	0.4
57.03336	2.3
58.00484	1.4
59.01266	47.0
60.01591	0.4
61.98720	14.8
67.01813	0.4
67.50339	0.3
68.99725	0.4
69.03349	1.3
71.01273	35.7
71.61939	0.4
72.01614	0.7
72.99188	2.0
73.02838	8.3
74.03175	0.4
75.00774	0.6
80.46897	0.4
81.03343	0.5
83.01279	5.4
85.02845	12.3
86.00023	0.4
87.00770	2.6
89.02341	22.1
90.02666	0.6
95.01302	1.5
96.95937	1.0
97.02868	1.5
99.00788	3.7
101.02349	28.6
102.02707	0.8
102.41585	0.4
109.02906	0.5
111.00774	2.2
113.02357	11.1
119.03400	4.1
123.00784	0.7
123.04460	0.6
125.02374	3.4
129.01881	0.6
131.03433	9.3
137.02393	0.4
143.03423	2.2
149.04514	5.8
159.02931	0.7
161.04504	5.1
169.01398	1.0
175.03943	0.4
179.05571	1.3
191.05591	0.9
233.06712	1.3
293.08896	0.8
300.99860	0.5
334.13733	0.3
343.28796	0.8
355.21356	11.0
356.21683	1.1
385.25906	0.7
487.25629	100.0
488.25998	13.6
505.34113	1.4
532.61566	0.3
547.09521	0.7
547.21857	1.2
547.29028	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	7.7
60.01604	0.1
61.98718	100.0
71.01260	1.1
72.99213	0.2
76.61181	0.2
78.95798	0.1
85.02855	0.4
87.00800	0.1
87.90077	0.1
89.02338	1.9
95.01286	0.2
98.19819	0.3
99.23347	0.1
101.02335	1.1
106.18026	0.1
113.02375	0.7
113.38351	0.1
119.03406	0.9
121.66321	0.1
135.75858	0.1
143.03381	0.2
150.40675	0.1
156.36795	0.1
161.04562	0.5
170.94215	0.2
179.05600	0.7
224.07722	0.1
301.00046	0.5
487.33023	2.1
507.76938	0.1
547.28448	0.2
568.49792	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	546.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	2.9
60.01601	0.3
61.01702	0.2
61.98719	100.0
62.98436	0.2
69.38728	0.8
71.01278	0.4
85.02863	0.2
86.97195	0.1
89.02367	0.3
95.01287	0.1
101.02389	0.3
107.01356	0.1
113.02379	0.2
119.03430	0.1
125.02384	0.1
145.02969	0.2
161.04495	0.2
169.01434	0.2
261.46890	0.1
265.98862	0.1
275.02063	0.1
282.83914	0.1
292.20154	0.1
300.99966	0.5
302.50250	0.1
309.20932	0.2
310.21356	0.4
311.22464	0.1
486.30661	0.2
546.09149	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	8.9
61.98694	1.5
69.39891	2.3
69.40324	1.9
78.95789	5.4
93.59082	0.4
98.19703	0.7
134.85098	0.4
140.01132	2.4
152.99530	0.6
196.03748	1.6
214.04816	3.1
214.09290	0.5
253.70380	0.5
274.98730	0.4
301.00009	0.7
349.27533	100.0
350.27844	13.3
487.34393	1.4
546.32123	13.3
547.32086	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74403	0.4
51.02018	0.4
57.03339	0.5
59.01259	3.5
60.01552	0.3
61.98717	15.1
65.00246	0.4
69.03314	0.4
71.01274	3.4
71.60020	0.4
72.99190	1.1
73.02831	1.3
73.12253	0.3
77.59339	0.4
79.01773	0.7
83.01271	1.0
85.02830	2.0
87.00768	0.7
89.02324	2.0
90.88190	0.4
93.03330	0.5
95.01275	1.6
96.95893	0.8
97.02855	0.8
99.00772	0.7
101.02351	1.9
107.01295	1.5
109.02890	0.6
110.00030	0.4
111.00800	1.8
113.02360	1.4
117.05544	0.4
119.03399	0.6
120.25317	0.4
123.00795	9.8
123.04419	0.4
124.01653	0.5
125.02372	11.9
127.00296	0.8
136.98740	1.0
137.02370	0.8
139.00316	3.1
140.01105	2.4
141.01826	1.8
145.02882	0.8
151.00299	7.7
151.03973	0.8
152.00694	0.4
153.01788	0.5
160.01579	1.4
161.04453	0.6
163.03978	0.6
168.00597	3.6
169.01384	13.5
170.01704	0.5
175.04008	1.7
177.01874	0.4
185.02460	0.4
193.04996	0.4
209.08173	1.0
211.02516	1.5
229.01460	0.6
242.49878	0.4
271.04599	1.7
275.02069	0.8
283.01175	0.3
289.07236	0.4
297.97656	0.7
298.98190	0.4
300.99976	4.7
302.00623	0.5
306.07538	0.4
312.99896	1.1
313.05771	1.1
325.20248	0.7
328.02200	0.8
329.02542	0.6
337.09241	0.6
343.04712	1.5
345.05591	0.4
346.05347	0.6
371.13632	0.9
371.20963	0.5
407.17712	0.4
483.18829	100.0
484.19186	14.3
484.24707	0.3
545.26416	0.5
546.08649	2.8
546.26892	2.2
547.09998	0.7
547.18604	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	0.3
63.12748	0.2
65.87321	0.3
67.01810	0.3
69.96132	0.5
69.96545	1.0
82.02882	2.0
83.01218	0.2
95.01286	1.7
98.19856	0.3
98.20393	0.5
102.74908	0.3
107.01341	0.4
111.00803	0.5
117.03365	0.5
119.04929	0.7
119.38622	0.3
119.62347	0.3
123.00805	2.9
125.02348	1.2
129.03394	0.5
133.02867	0.7
145.02885	2.2
147.04451	0.9
157.02850	1.4
159.04501	0.6
161.02425	0.9
163.03961	1.3
166.99838	0.9
169.01352	0.6
173.02425	3.5
175.03935	2.2
177.01852	0.5
185.00836	0.5
185.02400	4.5
187.03976	0.5
189.01895	1.4
190.02615	0.6
191.03468	1.5
200.01118	0.6
201.01936	5.6
202.02480	0.4
203.03491	4.5
204.03917	0.3
205.01503	0.3
213.01857	1.5
214.02730	0.4
217.01413	1.5
218.02173	0.5
219.02939	0.8
226.99913	0.7
228.00572	0.6
229.01453	11.2
230.02159	1.2
231.03064	2.7
244.00050	0.4
245.00894	2.7
246.01459	0.5
247.02437	1.5
249.04182	0.8
254.99263	0.5
257.00964	7.5
258.01706	2.9
273.00436	1.2
274.01285	1.9
275.02048	24.8
276.02359	2.3
283.99704	4.4
299.99136	5.5
300.99960	100.0
302.00305	8.6
309.03900	0.3
324.01767	0.3
479.04938	0.5
502.09894	3.4
503.10480	0.5
546.09039	92.7
547.09338	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	546.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.4
82.02876	2.2
82.50102	0.4
91.09769	0.3
95.01289	1.7
98.19810	1.2
99.00703	0.4
117.03384	0.4
119.04916	0.4
123.00780	3.4
125.02336	1.2
129.03381	0.6
131.04951	0.5
133.02866	0.9
137.02402	0.4
139.00323	0.6
141.03444	0.3
145.02850	2.2
147.04457	1.3
157.02895	1.3
159.04475	0.7
161.02383	0.8
163.03961	1.3
166.99815	1.0
169.01340	0.5
173.02397	2.5
173.04541	0.4
175.04034	2.2
177.01895	0.8
185.02417	5.1
187.04065	0.5
189.01898	1.2
190.02670	0.7
191.03445	1.6
195.67155	0.4
200.01138	0.5
201.01913	5.9
203.03502	4.1
213.01888	1.5
217.01407	1.2
218.02052	0.6
219.02930	1.7
221.04608	0.5
226.99940	0.7
228.00616	0.5
229.01408	10.8
230.01878	1.0
231.03009	3.0
245.00986	3.0
247.02487	1.2
249.03993	0.6
254.99426	0.7
257.00986	7.2
258.01657	2.8
259.02280	0.4
270.24146	0.4
273.00342	1.1
274.01288	1.8
275.02042	23.3
276.02304	1.6
283.99680	4.5
299.99146	4.5
300.99951	100.0
302.00281	7.6
453.09555	0.4
479.04672	0.7
502.09946	3.5
546.09015	94.6
547.09387	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	545.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	1.9
57.03335	0.7
59.01268	100.0
60.01607	1.8
61.98720	46.5
62.98450	0.5
63.99150	0.6
71.01276	22.8
71.25426	1.4
72.99186	1.4
73.02837	6.4
75.00775	0.5
78.95811	0.6
80.09496	0.6
83.01295	4.4
85.02845	11.3
87.00790	1.6
88.98693	0.7
89.02339	8.1
91.01301	0.6
93.03353	1.1
95.01286	2.1
96.95903	3.7
97.02856	0.8
99.00777	3.6
101.02351	19.0
107.04901	3.4
109.06506	25.2
110.06833	0.6
111.00791	1.0
113.02357	8.8
119.03445	3.0
125.02378	1.0
129.01863	0.7
143.03432	1.5
149.04529	0.7
159.02933	2.0
161.04529	9.9
169.01193	0.6
179.05577	2.9
213.18562	0.7
271.02673	0.6
275.02048	0.8
299.01932	1.2
300.02621	0.7
301.00009	2.3
301.03217	0.6
301.18253	0.7
305.86716	0.5
314.54630	0.6
323.25848	0.7
347.18698	1.1
375.23969	18.2
376.24265	1.8
399.10876	0.8
439.23749	0.7
485.31345	84.9
486.31717	15.2
545.28711	1.1
546.08801	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46177	0.2
55.01748	0.3
56.45406	0.2
57.03329	0.5
59.01265	100.0
60.01593	1.1
61.98718	4.6
71.01269	5.7
71.58304	0.3
72.99199	0.2
73.02831	1.6
80.01041	0.2
83.01283	0.9
85.02855	2.1
89.02339	1.8
95.01281	0.3
96.95926	0.6
97.02892	0.2
99.00793	0.8
101.02344	3.9
113.02360	2.0
119.03416	0.9
125.02390	0.6
143.03438	0.4
145.02936	0.2
151.07539	0.2
159.02982	0.7
161.04483	2.6
161.05603	0.2
162.05054	0.2
179.05641	0.7
205.18405	0.2
224.49722	0.2
228.98457	0.2
231.85692	0.2
301.00021	0.4
302.73111	0.2
309.21021	0.3
323.26059	0.6
485.31332	18.7
486.31683	3.1
545.27728	0.3
546.09302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70255	0.1
55.01771	0.4
57.03324	0.1
58.00482	0.4
59.01266	100.0
60.01598	1.1
61.98438	0.2
61.98723	1.1
63.12893	0.1
66.90172	0.1
68.77888	0.1
71.01271	9.3
71.48336	0.2
72.01622	0.2
72.99198	0.5
73.02837	1.7
74.36206	0.1
79.30684	0.1
83.01290	0.6
83.04935	0.2
85.02849	2.6
87.00794	0.5
89.02340	8.3
95.00781	0.1
95.01286	0.7
96.95919	0.3
97.02839	0.2
99.00767	0.7
101.02352	6.9
102.02721	0.2
113.02361	4.7
119.03419	4.8
119.04238	0.3
125.02386	0.2
131.03441	0.5
143.03438	1.1
149.04515	0.5
159.02919	0.8
161.04503	5.7
162.04927	0.1
179.05579	2.4
205.03604	0.1
211.17065	0.2
254.25368	0.1
258.43390	0.1
274.56067	0.1
301.00070	0.3
323.26126	0.3
485.31311	13.4
486.31689	2.5
490.13156	0.1
545.28516	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1468
Annotation	Fisetinidol-(4alpha->8)-afzelechin
Peak:m/z	Relative Intensity
50.99156	1.0
52.92074	1.2
53.64505	1.1
55.01785	1.2
57.03341	10.0
59.01269	3.4
67.01775	1.4
68.99684	1.5
69.03347	3.4
71.01260	2.7
74.00632	1.2
81.03349	3.2
83.01278	5.2
93.03358	12.0
95.01295	8.8
95.04932	4.2
96.95872	1.7
97.02856	32.4
99.00798	1.1
99.04401	1.7
107.01361	1.9
107.04934	4.9
108.02075	1.3
109.02881	6.6
111.00804	2.7
113.02349	1.3
119.04942	2.0
120.02087	1.6
120.53191	1.1
121.02885	3.9
122.03694	1.8
123.00800	16.5
123.03625	1.7
123.04451	13.7
123.36813	1.3
124.01575	2.9
125.02372	70.2
125.87988	1.4
126.02650	1.5
133.02870	12.2
134.03668	4.1
135.04457	7.9
137.02377	30.7
138.03088	3.8
139.00290	4.4
139.03915	6.5
141.01823	1.5
145.01796	1.1
145.02867	2.3
147.04425	2.4
149.02386	4.0
149.23730	1.5
151.03923	3.8
157.06589	1.5
159.04489	2.0
160.03947	2.2
161.02348	4.3
161.06085	2.7
163.00308	18.8
163.04004	3.3
163.91753	1.6
164.01108	39.8
165.01903	12.8
166.02608	3.9
166.99846	5.4
168.00604	1.7
169.01390	8.9
170.94804	1.5
171.04489	2.0
175.02530	1.7
175.03966	4.4
176.01178	2.5
177.01895	15.1
178.02634	4.6
179.03442	1.7
180.63788	1.3
185.06052	3.4
186.06844	2.7
187.04031	3.3
187.07622	9.7
189.05545	11.8
203.03522	2.0
203.07155	4.4
205.01427	7.5
205.08730	10.2
213.05675	2.2
214.06255	1.7
228.04306	1.5
229.05179	2.8
229.08705	10.0
231.06676	4.1
232.02533	2.6
255.06732	3.0
269.08191	1.4
271.06226	34.4
272.06586	2.8
273.07748	100.0
274.08112	8.8
275.02029	3.5
285.07654	3.1
300.99924	16.6
312.06491	16.6
313.07224	6.5
323.09433	3.2
337.91174	1.4
365.10464	1.9
378.08496	2.2
391.08469	2.5
409.09323	8.4
419.11450	26.9
420.11627	3.6
440.43646	1.2
527.13214	1.9
545.14758	9.7
545.22302	1.6
546.08997	22.0
546.16534	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	545.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	0.2
60.79868	0.1
62.47284	0.1
67.40740	0.1
73.04340	0.1
79.95631	2.1
83.01289	0.1
86.29181	0.1
95.01333	0.1
96.95916	100.0
97.95838	0.5
98.14937	0.1
98.19758	0.2
101.95747	0.1
107.01279	0.1
109.02871	0.1
112.04134	0.1
112.25889	0.1
121.02829	0.1
125.02367	0.3
150.76546	0.1
151.00339	0.4
169.01428	0.2
178.99817	0.3
193.33426	0.1
243.03075	0.3
255.03008	0.8
258.25204	0.1
271.02536	1.2
272.02698	0.1
273.04266	0.1
289.07294	0.1
290.76553	0.1
300.02835	2.8
301.03568	2.0
343.10303	0.1
381.03378	0.1
427.48212	0.1
447.09433	4.1
448.09451	0.5
497.95346	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	543.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.00752	0.4
60.01615	0.6
61.98717	1.2
70.82237	0.8
76.78412	0.4
78.95784	0.7
81.79685	0.4
99.33249	0.5
152.99568	0.6
171.52080	0.4
186.74356	0.4
198.45720	0.4
227.20161	0.5
229.73311	0.4
264.87958	0.4
308.63574	0.4
410.84756	0.5
543.25250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01788	0.2
59.01266	12.7
60.01603	0.3
61.01679	0.3
61.98717	100.0
71.01274	2.1
71.59968	0.2
71.60443	0.3
72.99208	0.4
73.02838	0.8
83.01303	0.4
85.02869	1.1
87.00800	0.2
89.02325	1.3
89.34421	0.2
95.01299	0.2
96.95924	0.3
101.02351	2.4
109.06503	2.0
113.02355	1.4
113.03063	0.2
114.02753	0.2
119.03442	0.6
122.07005	0.2
125.02367	0.4
161.04521	1.0
161.05911	0.2
169.01599	0.2
179.05568	0.2
197.11803	0.4
253.09511	0.4
253.44427	0.2
262.14148	0.2
289.18320	0.4
290.18628	0.6
299.01950	0.2
307.19351	0.5
308.19730	0.5
312.09918	0.2
375.23892	1.6
485.31378	6.6
485.38184	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45392	0.2
55.01772	0.3
57.03344	0.2
58.00483	0.3
59.01264	100.0
60.01595	1.4
61.98721	1.4
69.35989	1.0
69.36395	0.5
70.68540	0.1
71.01273	6.9
72.99200	0.5
73.02843	1.3
83.01257	0.9
85.02843	2.3
87.00787	0.4
89.02338	6.3
95.01298	0.5
99.00785	0.6
101.02348	5.8
101.03009	0.3
113.02357	3.3
119.03417	3.0
125.02335	0.2
131.03430	0.4
143.03438	0.8
149.04472	0.3
159.02953	0.3
161.04497	3.7
179.05615	1.5
220.77205	0.2
245.19078	0.2
253.09383	0.2
263.60309	0.2
266.45496	0.2
268.84750	0.1
289.18216	0.6
307.19171	1.0
321.24655	0.4
380.47888	0.2
483.29755	15.9
484.30063	2.2
543.28778	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15119	0.5
55.01773	0.5
57.03339	0.8
58.00485	0.8
59.01267	100.0
60.01606	0.7
60.61774	0.4
61.98719	28.2
62.99160	0.4
69.46498	3.7
71.01273	21.7
72.01612	0.6
72.99207	1.7
73.02853	1.9
83.01286	1.1
85.02854	4.8
87.00788	1.6
89.02340	35.2
90.02697	0.7
90.27786	0.4
94.40113	0.4
95.01308	1.9
96.95905	0.6
97.02881	0.8
99.00789	0.6
99.04455	0.5
101.02350	14.9
101.36792	0.4
113.02361	11.3
117.03434	1.0
119.03419	15.7
119.04980	1.5
122.99207	0.5
123.00835	0.5
125.02394	1.8
131.03448	1.7
137.02438	0.5
139.00322	0.4
143.03433	3.3
145.02870	3.3
149.04550	1.6
161.04541	6.0
163.03989	1.5
169.01425	1.5
179.05577	12.9
271.02277	0.5
289.07611	0.5
300.99829	0.8
324.67136	0.4
435.26163	0.5
483.29825	3.2
484.30301	0.7
543.27277	2.5
543.35730	0.9
544.28467	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77062	0.2
55.01766	0.3
57.03352	0.3
57.20438	0.2
58.00479	0.9
59.01267	100.0
60.01591	1.0
61.98721	2.2
71.01272	15.2
71.41274	0.4
71.67239	0.2
72.99209	0.9
73.02848	1.3
83.01291	0.8
85.02840	2.7
87.00766	1.1
88.98722	0.7
89.02339	21.1
90.02667	0.3
95.01264	1.0
97.06508	0.2
99.00782	1.2
101.02350	9.5
109.06520	0.3
113.02361	7.8
115.03884	0.2
119.03419	9.2
125.02386	0.3
131.03468	0.9
143.03448	2.3
149.04512	1.0
156.00565	2.0
159.02977	0.4
161.04503	5.7
169.01312	0.2
179.05577	7.3
180.05843	0.2
209.11823	0.4
253.09389	0.3
289.18353	0.3
303.23312	1.8
307.19354	0.4
321.24442	0.5
331.87943	0.2
451.36630	0.3
483.29715	1.6
543.28748	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.319
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31796	0.4
57.03337	0.8
58.00483	1.2
59.01266	100.0
60.01603	1.2
61.98719	22.3
62.98440	0.4
71.01273	17.2
72.01659	0.4
72.99195	1.1
73.02840	1.6
73.80396	0.4
75.00768	0.5
83.01279	0.9
83.04912	0.7
85.02838	4.4
87.00802	1.1
87.44480	0.4
89.02342	22.4
90.02691	0.4
95.01295	1.3
96.74364	0.3
99.00800	0.8
99.04449	0.5
99.70214	0.4
101.02359	12.0
101.03001	0.7
101.09116	0.4
111.04462	0.6
113.02361	8.4
119.03420	10.1
125.02386	1.7
127.03948	0.9
127.07654	0.8
129.05560	0.5
131.03452	1.2
137.02405	0.6
141.09120	0.5
143.03430	3.0
149.04553	0.6
151.00188	0.4
159.03027	0.7
161.04524	6.7
165.01883	0.7
169.01396	1.2
171.10260	0.4
179.05565	8.7
209.11824	0.4
253.09363	0.7
275.18607	0.4
289.07031	0.4
301.00128	0.5
307.19363	1.6
321.24463	0.6
358.51337	0.4
381.23163	0.6
427.19794	0.4
439.34521	1.7
465.32654	0.6
483.29715	6.6
531.88092	0.4
543.21680	0.4
543.27881	2.5
551.59711	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.5
57.03333	0.4
59.01266	11.3
60.01591	1.1
61.01696	0.5
61.98718	4.3
67.01768	1.1
68.99722	0.3
69.03337	0.6
69.64367	0.3
71.01270	4.2
71.61681	0.5
72.99193	0.9
73.02831	1.1
79.01792	0.7
79.95604	0.3
80.96404	0.7
83.00841	0.3
83.01261	1.3
85.02860	1.5
85.99961	0.2
87.00778	0.5
89.02352	1.1
93.03370	0.5
95.01279	2.1
96.95905	1.2
97.02847	1.1
99.00765	0.5
101.02344	2.6
107.01294	3.7
109.02869	1.4
110.00014	0.4
111.00801	2.5
113.02359	1.2
117.03353	0.3
119.03454	0.3
119.04958	0.7
120.05302	0.3
123.00803	15.8
123.04422	0.6
124.01656	1.2
125.02367	19.6
126.02734	0.9
127.00314	1.1
135.04442	0.4
136.98714	1.5
137.02388	1.4
139.00305	4.6
139.69537	0.2
140.01102	3.3
141.01878	2.0
145.02914	1.0
149.02364	0.3
150.03171	0.2
151.00319	9.7
151.03925	1.0
152.00706	0.4
153.01886	1.1
161.04532	0.5
163.00368	0.5
163.03870	0.6
164.01134	0.5
165.01880	0.7
165.05429	0.3
166.05054	0.5
166.99832	0.7
168.00604	3.6
169.01381	21.2
170.01749	1.3
175.03874	0.3
177.01862	0.3
179.03481	0.6
181.05077	0.4
185.05995	0.3
203.07094	0.3
209.04453	0.3
211.02457	1.4
212.02701	0.3
229.05055	0.8
229.18106	0.4
245.00934	0.3
253.03690	0.4
271.04681	0.9
273.00397	0.4
275.02042	0.6
289.07333	0.5
297.97467	0.3
300.99976	1.5
301.07272	0.4
312.99994	0.9
313.05649	1.7
328.02454	0.5
343.04636	1.0
344.05078	0.3
361.03595	0.3
480.11789	0.6
481.17282	0.4
483.22244	0.4
483.28925	0.6
543.24585	100.0
544.24982	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55114	0.2
55.01757	0.4
57.03339	0.7
59.01267	4.2
61.98730	1.1
65.00212	0.5
67.01773	1.1
68.99713	0.3
69.03327	0.5
71.01266	2.6
71.58476	0.3
72.11217	0.2
72.99202	0.9
73.02816	0.5
74.48016	0.2
75.00738	0.2
79.01801	0.6
81.03344	0.2
83.01274	0.8
85.02852	1.7
87.00775	0.6
89.02334	1.9
93.03358	0.2
95.01272	1.9
96.95914	1.1
97.02866	1.0
99.00784	0.4
99.57402	0.2
101.02354	2.5
107.01299	3.9
109.02876	0.8
110.00010	0.3
111.00796	2.5
113.02360	1.8
113.39281	0.2
119.03474	0.5
119.04958	0.3
121.02862	0.3
123.00806	14.8
123.04436	0.2
124.01071	0.4
124.01666	0.5
125.02373	19.2
126.02718	1.2
127.00327	0.9
133.02870	0.4
135.04501	0.3
136.98746	1.4
137.02402	1.2
139.00299	4.7
140.01105	3.4
141.01859	2.2
143.03477	0.2
145.02797	0.3
151.00314	10.3
151.03937	0.5
152.00687	0.4
153.01872	0.9
154.99803	0.6
161.02397	0.4
161.06032	0.3
163.00323	0.3
163.03978	0.7
164.01117	0.8
165.01892	0.5
166.02654	0.3
166.99844	0.9
167.03539	0.3
168.00600	3.9
169.01385	23.6
170.01762	1.4
171.01840	0.3
175.03932	0.2
177.01814	0.5
179.03441	0.4
181.04916	0.3
189.01820	0.2
193.05000	0.3
195.02919	0.2
209.04607	0.3
211.02473	2.3
217.01437	0.3
229.18315	0.3
241.03639	0.2
245.00969	0.7
253.03535	0.3
271.04251	1.6
272.05127	0.2
273.00449	1.0
273.05087	0.3
275.01974	0.3
281.04486	0.2
301.00104	1.2
302.00476	0.3
313.05652	1.8
350.97321	0.2
364.97693	0.2
380.27963	0.2
391.20026	0.9
483.18610	0.4
543.24640	100.0
544.24957	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	543.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73755	0.9
57.03341	1.4
58.00480	2.4
58.60397	0.9
59.01265	76.4
61.98420	1.8
61.98722	27.2
71.01270	51.7
72.01611	1.4
72.99194	2.9
73.02837	16.5
75.00765	1.0
78.95805	2.1
80.91613	1.1
81.03376	1.1
83.01284	2.3
85.02835	6.2
87.00780	1.6
88.98700	4.2
89.02340	100.0
90.02660	1.5
95.01287	2.1
96.95917	5.7
96.96861	1.2
97.02876	2.0
99.00784	28.2
99.04451	2.1
101.02349	39.7
107.01280	1.3
109.02859	3.7
113.02369	8.6
117.71122	1.0
119.03426	4.3
121.02870	4.2
123.00811	3.2
123.04478	3.1
125.02364	19.8
126.02697	1.6
131.03435	16.1
137.02374	3.0
143.03415	2.8
145.02937	1.4
149.04504	90.8
150.04828	2.7
151.00314	2.3
151.03938	2.4
161.04549	5.4
163.03954	1.9
164.01067	1.9
166.13037	1.1
169.01396	10.4
170.01697	2.5
175.03984	1.1
179.05603	1.6
191.05608	18.4
211.02408	1.4
221.06624	9.2
224.21341	1.0
226.36877	1.0
229.10745	1.8
248.81073	1.1
251.07793	13.4
251.12915	4.0
289.07214	2.3
293.08914	2.2
300.99942	1.4
301.43640	1.1
308.30225	1.0
311.09885	5.2
313.05698	1.8
325.96109	1.1
345.26389	1.2
353.16269	1.2
381.13751	1.9
457.83313	1.3
483.22440	22.3
484.22711	3.7
543.16071	2.1
543.24658	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	541.3033
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
55.01775	0.3
56.71596	0.2
57.03337	0.7
59.01265	100.0
60.01606	0.8
61.98718	2.6
67.01794	0.2
71.01271	6.1
72.99209	0.3
73.02843	1.9
81.03323	0.2
81.07847	0.1
83.01285	0.8
85.02856	2.7
87.00794	0.6
88.98734	0.2
89.02351	0.7
93.03361	0.2
95.01298	0.8
96.95928	0.5
97.02877	0.4
97.06475	0.2
98.20560	0.4
99.00793	0.8
101.02346	4.4
101.03004	0.3
105.01817	0.2
105.13609	0.1
107.01313	0.7
109.02868	0.6
111.00770	0.2
113.02357	2.9
119.04977	0.4
121.02878	0.2
123.00791	1.7
123.04466	0.4
125.02364	4.6
132.11374	0.2
136.98758	0.2
137.02386	0.6
139.00320	0.6
140.01129	0.4
141.01787	0.3
143.03419	0.4
145.02963	0.3
151.00304	1.0
151.03987	0.6
159.02963	0.8
161.02478	0.3
161.04510	6.2
163.00352	0.2
163.03989	0.6
164.01285	0.2
165.01897	0.4
166.99854	0.4
168.00610	0.5
169.01382	4.9
169.02766	0.3
170.01715	0.3
177.01892	0.2
177.05492	0.2
178.02243	0.1
179.03514	0.2
181.54880	0.2
189.01976	0.2
191.03464	0.2
191.05647	0.2
203.03358	0.2
205.03448	0.2
211.02504	0.4
211.13370	0.2
229.61162	0.3
229.63503	0.2
231.17827	0.3
232.02950	0.3
271.04477	0.3
274.01312	0.2
275.20660	0.2
289.07397	0.7
301.00024	0.7
308.03568	0.3
319.22757	1.1
341.07098	0.2
383.53778	0.2
384.04300	1.6
396.10788	0.2
404.16586	0.2
448.15366	0.5
459.91403	0.2
466.06659	0.6
481.28192	13.3
482.28592	2.0
525.27417	0.3
541.23163	6.8
541.30627	2.3
542.16418	1.0
542.23572	0.8
542.30902	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3012
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
54.58561	0.4
55.01785	0.5
57.03329	0.7
58.00480	0.6
59.01265	100.0
59.40939	0.5
60.01604	1.0
61.98719	9.6
65.80895	0.4
71.01270	14.0
72.99214	0.8
73.02830	0.8
83.01284	0.8
85.02854	3.5
87.00785	1.2
88.98716	0.4
89.02337	18.4
95.01270	0.6
95.75862	0.5
98.21278	0.5
99.00803	0.5
101.02344	9.6
107.01273	0.6
111.00861	0.5
113.02354	6.2
119.03421	8.8
123.00818	0.6
125.02358	2.8
137.02429	0.6
143.03465	1.8
149.04500	0.8
151.03955	0.7
159.02979	0.5
161.04510	3.3
169.01387	2.7
176.93849	0.4
179.05580	5.5
228.26904	0.5
241.45863	0.5
287.16806	0.6
301.00089	1.9
305.17542	0.9
306.57419	0.4
319.22806	1.1
331.04803	0.6
481.28165	14.0
482.28580	2.7
505.34036	0.8
541.18829	0.7
541.32727	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	541.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05448	0.3
55.01764	0.3
57.03332	0.7
59.01266	100.0
60.01607	1.5
61.98718	3.7
67.01782	0.4
68.99695	0.3
69.03342	0.8
69.48555	1.8
69.48961	0.9
71.01275	8.9
72.01609	0.3
72.99204	0.7
73.02850	2.7
75.00755	0.8
77.94485	0.3
78.95801	0.6
79.01792	0.3
80.22600	0.3
83.01281	1.6
85.02837	4.0
85.74990	0.3
87.00797	0.6
88.98699	1.4
89.02350	1.4
93.03364	0.4
95.01299	1.7
96.95936	1.5
97.02845	0.8
98.20518	0.5
99.00773	1.4
101.02361	5.7
107.01294	2.2
108.01676	0.4
109.02882	0.9
111.00810	1.4
113.02348	3.1
119.03434	0.6
119.04962	0.7
121.02853	0.4
123.00806	6.3
123.04434	0.7
125.01445	0.7
125.02368	12.7
126.02718	0.8
127.00343	0.3
127.02784	0.3
135.04442	0.5
136.98807	0.7
137.02393	1.2
139.00307	2.1
140.01062	1.3
141.01892	0.9
143.03406	0.6
145.02898	0.8
151.00314	3.0
151.03992	0.6
152.00645	0.7
153.01971	0.4
159.02911	0.8
161.04495	6.4
163.03889	0.4
165.01839	0.5
166.99904	1.1
168.00621	2.1
169.01390	16.1
170.01767	2.1
171.01907	1.6
177.01973	0.7
179.03619	0.4
211.02464	1.7
225.05566	9.0
226.05965	1.4
227.06232	0.5
231.17393	0.4
245.00752	0.4
269.04608	22.1
270.04996	2.1
271.04471	2.2
275.02148	0.4
289.07153	0.7
297.97763	0.5
299.99084	0.4
300.99960	3.2
303.05042	0.4
313.00000	1.9
313.05746	1.5
314.05872	1.4
315.06296	1.9
319.22870	1.2
328.02417	1.4
343.04715	3.0
344.05087	0.5
379.21265	0.5
408.66748	0.3
434.06738	0.4
481.28137	11.9
482.28378	1.6
523.21533	0.5
540.57166	0.6
541.12390	3.7
541.23022	31.3
541.30145	1.7
542.13165	1.7
542.23383	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	541.3029
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
58.00483	0.7
59.01266	100.0
60.01598	1.0
61.98721	5.2
71.01273	12.9
71.38126	0.4
71.38460	0.3
72.01606	0.3
72.99207	1.0
73.02823	1.2
83.01292	1.0
85.02834	2.7
87.00774	1.3
89.02338	18.8
90.02682	0.5
95.01298	0.9
98.48596	0.2
99.00764	0.5
101.02347	8.2
105.85564	0.2
109.06528	0.9
113.02358	6.1
119.03423	9.5
123.00838	0.3
125.02387	1.4
131.03471	1.1
139.00302	0.3
143.03432	2.4
149.04526	0.8
159.02965	0.5
161.04494	4.5
163.00340	0.3
169.01419	0.8
179.05591	5.8
180.05806	0.2
185.56375	0.3
265.01810	0.2
274.01138	0.3
301.00037	0.9
301.21716	1.5
319.22870	0.9
427.26352	0.3
427.32391	0.3
481.28110	2.5
541.25934	0.6
541.32880	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73416	0.3
55.01763	0.5
57.03337	0.7
59.01266	6.1
60.99191	0.3
61.98717	2.0
65.00208	0.5
66.10767	0.3
67.01783	0.8
68.99703	1.0
69.03339	1.1
69.34669	3.0
71.01279	5.2
72.99198	0.9
73.02847	1.7
79.01777	1.3
83.01276	1.1
85.02840	2.2
87.00764	1.0
88.98721	2.3
89.02334	2.4
95.01284	1.9
96.95903	0.5
97.02852	1.0
98.20592	0.8
99.00775	0.8
100.23000	0.3
101.02352	3.0
107.01297	5.1
109.02854	0.6
110.00034	0.4
111.00794	2.6
112.05468	0.4
113.02344	2.1
114.55956	0.3
117.03366	0.4
119.03398	0.8
119.04919	0.5
120.25134	0.3
122.99911	0.7
123.00810	14.3
123.04457	0.8
124.01041	0.5
124.01653	0.6
125.02374	23.2
126.02707	2.4
127.00288	1.0
127.02827	0.7
136.98715	1.7
137.02377	1.0
139.00316	4.3
140.01152	3.2
141.01912	2.7
145.02931	0.4
149.02351	0.6
151.00322	9.3
151.03931	0.8
152.00662	1.6
153.00735	0.8
153.01880	1.1
161.02357	0.4
161.04480	0.4
163.03979	0.8
165.01851	0.7
166.99762	0.7
168.00601	5.6
169.01390	32.9
170.01793	3.3
171.01857	2.4
175.03958	0.4
177.05652	0.4
181.04997	0.4
193.01311	0.5
203.03491	0.4
205.05046	0.5
209.04546	0.5
211.02480	10.3
212.02837	0.7
217.38910	0.4
227.07275	0.9
231.03056	0.4
241.03540	0.5
271.04669	12.6
272.04990	1.2
273.05276	0.4
286.93991	0.4
289.07547	0.5
301.00006	1.5
313.05710	3.1
337.02170	0.4
344.78162	0.3
371.12677	0.6
387.13004	1.1
388.13358	0.7
389.13571	2.1
389.18478	1.4
481.16721	0.7
481.26575	0.9
541.14679	12.4
541.22784	100.0
542.14600	1.6
542.23224	16.1
563.76599	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2309
Annotation	Jasnudifloside I
Peak:m/z	Relative Intensity
57.03343	0.7
59.01264	9.4
60.99199	1.3
61.98723	5.6
67.01774	2.0
70.36229	0.6
71.01260	5.6
71.59839	0.5
72.99197	1.1
73.02821	1.2
74.00587	0.5
75.00758	0.6
79.01784	2.1
83.01268	2.1
85.02861	2.4
87.00809	1.2
88.98707	5.3
89.02341	3.1
93.03359	0.9
95.01286	3.4
96.95921	2.2
97.02938	1.3
99.00763	1.4
101.02357	4.1
106.04023	1.1
107.01306	7.1
108.02125	0.7
109.02853	2.3
111.00794	3.5
113.02334	2.8
117.03415	0.6
119.04933	1.4
123.00803	20.7
123.04433	1.6
124.01700	2.7
125.02367	29.6
126.02705	1.7
127.00285	1.4
135.04417	1.2
136.98734	1.4
137.02377	2.6
139.00290	6.4
140.01117	4.6
141.01895	3.1
145.02893	2.6
149.02351	0.9
149.80025	0.6
150.03122	0.8
151.00313	13.1
151.03943	2.2
152.00679	0.7
153.01860	1.7
154.99854	1.0
159.04512	0.7
161.02397	1.7
161.04477	0.6
163.03946	2.1
165.01906	0.8
165.05528	0.8
166.99780	3.1
167.03537	0.7
168.00650	5.4
169.01385	44.0
170.01694	3.4
173.02441	0.6
177.01851	1.2
179.03474	0.9
181.04991	0.7
189.02078	0.7
191.03574	1.1
193.01424	0.7
203.03490	0.7
209.04434	0.8
211.02446	2.8
217.01389	0.7
220.67384	0.6
227.07207	1.0
231.02933	0.7
269.04688	1.5
271.04712	2.0
271.53897	0.6
289.07297	2.2
299.99261	0.7
300.99954	5.9
302.00299	0.7
303.04950	0.7
313.05765	3.9
343.04794	0.7
378.07959	0.7
451.09985	0.7
479.22934	1.4
481.26642	0.8
511.21970	54.8
512.22302	9.0
523.22052	1.2
541.23035	100.0
542.13440	2.7
542.23267	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	541.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64777	0.4
59.01270	3.7
61.98712	0.6
66.32478	0.4
67.01782	1.0
69.03345	0.8
69.98564	1.8
71.01270	4.3
72.99184	1.0
73.02840	0.9
75.00770	0.8
79.01790	1.0
80.01682	0.5
83.01301	1.1
85.02843	1.8
87.00785	1.0
88.98717	0.5
89.02335	2.4
93.03368	0.6
95.01286	2.5
96.95912	1.8
97.02850	0.8
99.00768	0.5
101.02365	2.2
107.01293	3.5
109.02832	0.7
110.00007	0.5
111.00792	3.1
113.02351	1.7
119.03400	0.7
122.99902	1.0
123.00798	14.6
123.04337	0.5
124.01563	1.0
125.02368	17.0
126.02703	0.8
127.00296	0.7
130.23108	0.5
136.98785	1.2
137.02357	0.8
139.00320	4.0
140.01099	3.6
141.01869	2.2
149.02380	1.0
150.03102	1.4
151.00322	7.5
151.03711	0.5
152.00688	0.8
153.01909	0.8
154.99780	0.9
163.00336	0.5
165.05519	1.7
166.05925	0.4
166.99792	1.6
168.00589	3.9
169.01385	22.6
170.01711	0.8
195.06595	0.9
211.02440	2.0
229.01321	0.5
271.04697	2.6
275.02066	0.7
279.74323	0.5
289.07120	0.6
299.99173	0.5
301.00024	4.5
313.05826	1.7
438.03732	0.5
466.02908	0.7
493.20010	1.7
541.23071	100.0
542.23395	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	541.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96344	0.2
57.03328	0.3
59.01274	2.1
61.31050	0.3
67.01767	0.7
68.99708	0.3
71.01276	3.3
71.58253	0.4
71.73096	0.2
72.99184	0.7
73.02831	0.6
76.07507	0.3
79.01786	0.8
83.01302	1.4
85.02838	1.0
87.00781	0.8
89.02333	0.9
93.95751	0.2
95.01283	1.5
96.95914	1.0
97.02847	0.7
99.00758	0.5
100.92063	0.2
101.02359	1.3
107.01302	2.9
109.01997	0.2
109.02825	0.3
109.96165	0.3
109.99931	0.2
111.00798	2.4
113.02361	1.0
115.00251	0.2
123.00808	11.9
123.04414	0.3
124.01640	0.5
125.02374	14.2
126.02688	0.5
127.00312	0.6
136.98769	1.3
137.02391	0.7
139.00307	3.7
140.01125	2.8
141.01921	1.6
143.03403	0.3
145.02893	0.3
149.02437	0.3
151.00313	9.4
151.03964	0.3
152.00655	0.4
153.01881	1.0
154.99829	0.7
155.10727	0.5
163.00340	0.3
163.03944	0.4
165.01921	0.4
165.05516	0.4
166.99808	1.1
167.03470	0.3
168.00613	3.6
169.01389	19.2
170.01707	1.1
177.01843	0.3
181.04962	0.3
209.04678	0.3
211.02483	2.0
223.02522	0.4
248.55629	0.3
271.04630	1.7
273.00458	0.3
275.02063	0.3
300.99954	3.0
313.05670	1.3
358.66183	0.3
451.02267	0.3
452.03073	0.3
541.23059	100.0
542.23401	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	541.1365
Annotation	3,4',5-Trihydroxystilbene 4'-O-beta-D-(6''-O-galloyl)glucopyranoside
Peak:m/z	Relative Intensity
55.01761	0.4
57.03334	0.8
59.01265	14.7
61.98721	4.3
65.00208	0.5
67.01778	1.6
69.03358	1.4
71.01271	4.9
72.99203	0.7
73.02842	0.9
79.01784	1.9
81.03371	0.8
83.01284	1.4
85.02856	1.6
87.00794	0.6
89.02335	0.9
93.03365	1.8
95.01286	7.0
95.04886	0.5
96.95930	0.8
97.02869	1.6
98.19858	0.9
99.00797	0.4
101.02345	2.7
107.01293	10.3
107.04956	0.8
108.02170	0.4
109.02847	0.7
111.00779	2.0
113.02354	2.6
113.64304	0.3
121.02878	55.2
122.03207	1.7
123.00808	20.7
123.04419	0.7
123.23846	0.3
124.01574	1.3
125.02374	51.3
126.02724	1.3
127.00325	0.8
133.02888	0.6
135.04437	0.4
136.98749	1.2
137.02397	1.5
137.82584	0.3
139.00313	6.4
140.01123	2.7
141.01894	2.8
141.06969	0.3
145.02948	0.4
149.02422	0.4
151.00319	9.5
151.03958	0.6
152.00755	0.4
153.01923	0.9
157.06526	0.6
159.78894	0.3
161.04562	0.7
163.03972	0.6
165.01907	0.8
166.99834	5.5
167.03447	0.4
168.00600	3.2
169.01392	60.8
170.01709	2.0
179.03427	0.6
183.02962	0.4
185.06061	1.6
187.07620	2.3
193.01421	0.7
195.03055	0.4
200.43198	0.4
211.02477	1.4
213.05569	7.3
214.05821	0.6
229.04993	0.9
229.62971	0.3
241.03531	0.4
251.91733	0.3
253.03506	1.2
257.04550	1.0
271.04745	0.4
273.03976	0.6
275.05612	0.3
289.07144	0.3
300.99887	0.7
304.05872	0.4
313.05731	26.0
314.06006	1.8
319.34015	0.3
345.11545	0.3
419.09903	28.3
420.10376	3.2
436.58301	0.4
481.28094	1.4
508.49716	0.4
541.13641	100.0
542.14008	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	541.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	11.5
59.45461	0.3
61.34591	0.3
61.98724	1.9
67.01784	0.4
67.70373	0.3
69.03316	0.3
69.32495	1.3
69.32916	1.6
71.01279	2.5
72.99198	0.4
73.02831	0.6
75.00755	0.9
79.01764	0.4
83.01270	0.8
85.02836	0.8
87.00769	0.3
89.02329	1.0
95.01286	1.3
97.02840	0.3
99.00745	0.4
101.02360	1.8
107.01316	2.1
109.02844	0.5
111.00797	1.2
113.02332	0.9
123.00798	5.9
123.04424	0.5
124.01588	0.9
125.02375	10.7
126.02684	0.3
127.00332	0.7
136.98746	0.6
137.02379	0.6
139.00296	2.3
140.01125	1.6
141.01860	0.9
145.70732	0.3
151.00317	4.5
151.03941	0.4
161.02557	0.3
161.04453	0.6
168.00572	3.1
169.01384	16.1
170.01678	0.9
179.03403	0.4
191.03372	0.3
197.99512	0.4
211.00430	0.5
211.02484	9.1
212.02864	0.6
213.99141	0.3
241.03625	0.4
254.99269	0.5
257.00998	0.5
269.04550	0.8
269.98096	6.3
270.98535	0.6
271.04633	8.4
272.04907	0.9
277.82950	0.3
285.00491	7.5
286.00824	0.9
289.07068	0.3
297.00363	0.4
297.97617	26.3
298.98041	2.7
299.98886	0.4
300.99982	1.1
312.99973	47.2
314.00381	5.2
327.01648	0.6
328.02313	50.7
329.02771	7.0
343.04663	100.0
344.05008	10.7
344.11572	0.3
375.01248	0.3
467.54822	0.3
480.32800	0.7
481.28165	0.9
491.08466	3.1
505.21231	0.4
525.26819	0.4
541.23053	59.0
542.23383	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	540.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	7.8
60.01604	0.4
61.98719	100.0
69.42975	1.5
71.01270	1.2
85.02850	0.6
89.02353	0.3
96.10094	0.2
99.63686	0.2
101.02372	0.8
112.03957	0.3
113.02383	0.4
119.03429	0.3
125.02367	0.6
161.04539	0.5
169.01381	1.0
222.59003	0.2
244.11482	0.2
275.68414	0.2
300.99997	0.3
315.19522	0.2
316.20093	0.9
317.20459	0.8
318.20529	0.5
319.22681	0.9
337.72723	0.2
478.25128	0.3
479.25641	0.3
480.26465	0.8
481.27988	0.2
541.26611	0.4
549.43787	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.7
57.03339	1.0
59.01265	100.0
60.01595	0.9
61.98717	6.7
69.03356	0.4
71.01271	15.2
72.99196	0.8
73.02832	4.3
73.88347	0.3
75.00784	0.5
78.95798	0.8
82.66615	0.3
83.01269	2.4
85.02840	6.5
87.00782	0.6
89.02363	2.0
95.01301	1.2
96.95947	0.6
97.02856	0.5
99.00803	2.0
101.02348	10.7
101.03001	0.7
109.02885	0.5
113.02357	6.4
119.03418	0.3
125.02372	1.9
143.03444	1.0
159.02937	2.1
161.04512	16.9
162.04889	0.6
165.01938	0.4
169.01347	1.7
179.05734	0.4
205.03618	0.8
217.00298	0.4
300.99890	0.4
317.21338	0.4
341.27264	0.5
479.26624	11.9
480.26889	1.6
528.78998	0.4
539.31848	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
61.98716	14.0
71.01278	8.8
71.56378	1.1
73.02834	2.8
76.13410	0.7
83.01270	1.7
85.02825	4.3
89.02345	2.0
95.01300	0.8
96.95925	1.1
101.02346	7.3
104.60336	0.8
106.11500	0.8
113.02365	4.6
119.03422	0.8
125.02366	3.2
151.00305	0.8
159.02901	1.1
161.04530	7.9
169.01364	2.7
189.62297	0.8
216.57263	0.8
217.00229	1.6
221.08113	1.2
234.06235	0.8
248.83351	0.9
257.64328	0.9
301.00003	0.9
317.21338	1.8
320.30960	0.8
333.22891	1.7
362.20728	1.1
374.99384	1.4
380.83014	0.8
392.85513	0.7
479.26651	13.0
480.27029	2.6
539.24982	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	539.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57916	0.3
51.63519	0.3
55.01770	0.4
57.03342	0.5
58.00476	0.8
59.01266	100.0
60.01606	1.5
61.98719	7.0
66.51013	0.3
70.56434	0.2
71.01273	16.5
72.99213	1.3
73.02829	1.3
75.00766	1.4
81.03362	0.4
83.01301	0.9
85.02849	3.1
87.00801	1.0
89.02338	20.9
90.02700	0.4
95.01309	1.3
96.95860	0.3
97.02786	0.3
99.00784	0.5
99.04454	0.3
101.02352	11.3
102.02757	0.3
109.06538	1.3
113.02358	7.0
119.03420	10.6
119.63749	0.3
120.03769	0.3
123.00851	0.5
125.02388	1.8
131.03462	0.9
143.03445	2.1
145.21652	0.3
149.04549	0.8
159.02956	0.4
161.04510	4.4
169.01378	1.5
176.21962	0.3
179.05571	5.1
179.06993	0.4
217.00305	0.3
299.20273	2.2
300.99994	0.4
304.10080	0.3
317.21170	2.2
374.99069	0.4
479.26584	3.3
479.32990	0.3
480.27249	0.4
539.25110	2.3
539.32544	0.9
540.25323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.4
57.03321	0.4
59.01267	100.0
60.01606	1.1
60.33649	0.2
61.98720	8.0
71.01272	8.4
71.01667	0.4
71.61729	0.3
72.99214	0.3
73.02834	2.9
75.00792	0.5
83.01283	1.3
85.02850	3.6
87.00803	0.8
89.02338	1.6
95.01300	0.6
96.39190	0.2
96.95918	0.3
97.02891	0.5
99.00751	1.3
101.02354	7.2
101.03006	0.4
107.04936	0.3
109.02899	0.2
113.02357	3.6
119.03375	0.3
123.00826	0.4
123.04488	0.3
125.02379	1.4
129.01903	0.3
133.39714	0.2
137.02385	0.4
143.03442	0.4
151.03993	0.3
159.02971	1.2
161.04510	6.9
169.01392	0.8
179.05655	0.4
205.03568	0.3
247.58286	0.2
269.98187	0.4
270.99042	0.5
275.20239	1.5
285.00586	0.7
297.97717	1.0
298.98489	0.8
313.00003	2.1
314.00766	1.7
317.21298	0.2
328.02475	1.0
329.03085	3.5
437.25555	11.2
438.25729	1.9
461.25607	4.5
462.25986	0.8
479.26581	7.9
479.33246	0.4
480.26682	1.3
521.27789	0.3
539.12207	1.3
539.29968	1.7
540.12817	0.3
540.28784	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	1.5
57.03334	1.0
59.01266	100.0
59.91851	0.6
60.01585	0.9
60.99194	0.8
61.35799	0.6
61.98717	13.1
71.01271	19.8
72.99207	1.5
73.02840	4.5
75.00780	1.4
76.98706	1.2
83.01291	2.5
85.02842	9.1
87.00767	1.0
89.02339	12.7
95.01307	1.9
96.95950	0.8
97.02872	0.7
97.06479	0.7
99.00810	2.5
101.02354	14.7
108.14136	0.5
113.02372	7.8
117.31363	0.7
117.80058	0.7
119.03425	5.7
123.00815	1.0
125.02403	2.4
143.03441	1.7
144.11101	0.6
148.60748	0.6
151.04016	0.6
159.02972	1.7
161.04510	12.1
169.01436	2.2
179.05592	4.1
205.03534	1.1
217.00433	1.3
271.20685	1.2
287.20297	3.7
305.21530	0.8
315.19855	1.2
317.21283	3.4
341.26984	3.1
381.43527	0.6
420.25458	0.7
479.26602	31.4
480.26770	4.1
523.25684	6.9
539.25055	1.8
539.31219	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	539.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06417	0.4
52.12622	0.4
55.01645	1.0
55.01889	0.9
57.03199	0.6
57.03442	0.7
58.00373	0.6
58.00604	0.8
59.01091	5.3
59.01427	6.2
61.98888	0.6
71.01076	7.3
71.01522	4.9
72.99034	1.1
72.99426	0.9
73.02642	3.2
73.03101	1.8
75.00609	0.6
83.01060	3.1
83.01612	1.5
85.02620	5.6
85.03204	2.1
85.99861	0.7
86.00307	0.5
87.00582	1.1
87.01025	0.6
89.02110	1.8
90.16860	0.4
93.03162	1.2
95.01057	2.0
97.02687	0.7
99.00544	1.6
99.01130	0.6
101.02103	9.0
101.02850	2.4
102.63239	0.5
107.01081	0.8
107.01714	0.5
111.00546	1.4
113.02097	3.7
113.02959	0.7
119.03217	0.6
121.02612	3.2
122.03384	3.4
123.00508	3.2
125.02089	5.2
125.03098	0.9
129.01630	0.7
129.50902	0.5
132.01851	1.2
132.02765	0.5
133.02596	5.2
133.03665	0.8
134.03378	1.3
134.04327	0.7
136.01419	0.7
137.02184	0.6
139.00032	1.3
139.01016	0.7
139.03720	0.6
141.01656	1.0
147.04170	1.3
149.02080	25.2
149.03400	3.0
149.05702	1.8
149.06801	0.6
150.02859	29.4
150.04204	3.8
151.00002	1.9
151.03282	1.8
159.02727	0.7
161.02232	0.5
161.04292	1.1
163.00072	0.5
164.04422	4.6
165.01636	0.8
165.05215	26.7
165.06741	2.4
166.05919	3.8
166.99635	0.5
167.06836	1.0
168.00282	1.7
169.01073	7.7
169.02611	0.7
170.01512	0.8
179.05345	0.5
180.04005	1.3
181.08347	4.9
183.28127	0.4
195.06284	10.4
196.06773	0.6
211.02405	2.3
217.00964	0.5
229.54291	0.6
242.99245	0.5
247.02319	1.0
271.04657	2.7
273.00278	0.7
273.04883	1.1
275.97632	0.5
283.09714	1.1
300.99655	1.9
314.08743	0.5
314.11591	5.3
315.12125	1.9
329.14047	11.2
330.14142	1.1
343.14075	11.9
344.14417	1.1
424.22418	0.5
474.22031	0.5
477.95575	0.6
491.19336	100.0
492.19666	14.9
492.26886	0.8
522.63812	0.5
539.21527	42.3
540.21954	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	539.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.4
58.00457	0.2
59.01265	6.4
63.45707	0.3
67.01768	0.8
69.03312	0.3
69.65016	1.8
71.01271	3.5
72.99187	0.6
73.02851	1.4
79.01777	1.1
83.01272	0.9
85.02837	1.3
87.00752	0.7
88.98694	1.6
89.02333	2.0
95.01285	1.9
96.95913	2.9
97.02843	0.8
99.00765	0.3
101.02349	3.9
103.03921	1.2
107.01291	3.1
109.02879	0.3
109.99976	0.3
111.00789	1.6
113.02361	1.0
119.03423	0.8
123.00809	12.7
124.01582	0.8
125.02371	14.4
126.02740	0.6
127.00260	0.6
136.98781	1.2
137.02367	0.3
138.06760	0.8
139.00307	3.5
140.01099	2.4
141.01874	1.4
143.03430	0.6
151.00323	8.1
152.31958	0.3
153.01869	0.7
153.09192	1.6
163.00278	0.4
163.03947	0.5
163.06065	4.5
168.00613	3.1
169.01387	18.2
170.01671	0.8
177.03947	0.4
179.03419	0.3
179.05708	0.3
205.07187	1.1
207.13957	0.3
211.02551	2.0
212.02815	0.4
216.27672	0.3
223.02501	0.3
225.15002	0.7
253.03584	0.5
265.09384	0.4
271.04654	2.1
272.04868	0.3
275.02109	0.4
282.94379	0.2
300.99832	0.8
313.05765	1.8
387.37250	0.3
454.70688	0.3
477.10519	0.5
479.24969	1.4
521.20081	0.5
539.21442	100.0
540.21796	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	539.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74401	0.7
55.01709	1.3
55.01927	0.7
57.03283	1.0
58.00424	1.0
58.36998	0.7
59.01178	11.7
59.01513	2.1
67.01701	0.8
71.01172	15.7
71.01606	2.1
72.99135	1.8
73.02738	5.1
75.00689	1.1
79.01717	0.9
83.01171	4.7
85.02743	9.1
85.03290	1.8
85.99914	1.1
87.00663	1.4
89.02228	4.6
91.96773	0.7
93.03237	2.3
95.01170	3.5
96.95813	1.8
97.02776	1.3
99.00659	2.3
101.02230	13.4
107.01174	2.3
107.62614	0.7
111.00657	3.0
113.02238	6.0
121.02886	4.6
122.03651	3.8
123.00817	9.0
123.04324	1.3
124.01491	0.8
125.02364	13.9
125.11235	0.7
126.02586	1.0
132.02002	1.0
133.02884	6.7
134.03560	1.6
135.04326	1.1
136.01471	1.1
137.02231	2.6
139.00313	3.5
140.00963	1.4
141.01746	1.7
147.04393	1.6
149.02383	26.4
149.05898	2.0
150.03168	34.3
151.00316	4.8
151.03610	1.3
153.01770	0.9
159.00818	0.8
161.02292	1.3
161.04378	0.9
162.02982	0.9
163.00212	1.6
164.04741	6.4
165.01717	1.8
165.05525	31.0
166.06035	3.6
166.99736	1.2
167.03262	0.9
167.07011	1.3
168.00430	2.9
169.01366	17.7
172.43198	0.7
175.02435	0.9
180.04088	2.2
181.08650	6.1
185.02377	0.8
193.01299	0.8
195.06602	13.4
196.06822	1.1
211.02478	4.4
212.02707	1.3
213.02733	1.2
229.01227	1.1
243.02773	0.8
247.02417	1.1
271.04611	4.1
272.04849	2.9
273.00461	1.1
273.05099	1.6
275.01926	1.3
283.09790	0.8
300.99921	3.4
313.05484	0.8
314.11761	6.1
315.12097	1.5
316.99268	0.9
329.13989	12.4
330.14236	1.0
333.07175	0.9
343.14075	11.0
344.14215	1.2
377.12357	1.6
491.19327	100.0
492.12854	1.1
492.19675	13.2
539.11102	2.9
539.21454	61.7
540.12683	1.0
540.21960	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	539.215
Annotation	Erizomycin
Peak:m/z	Relative Intensity
53.88284	0.2
55.01761	0.5
57.03333	0.7
58.00481	0.4
59.01265	10.6
61.98711	0.6
65.00204	0.4
67.01775	1.3
68.99711	0.5
69.03339	0.8
69.47258	0.3
69.47655	1.3
71.01270	6.2
71.04919	0.2
71.68678	0.2
72.99202	1.1
73.02830	2.1
75.00742	0.2
78.95814	0.2
79.01790	1.7
81.03349	0.5
83.01285	1.5
85.02843	3.1
85.99986	0.3
86.87231	0.2
87.00775	0.7
89.02345	2.4
95.01277	3.1
96.99217	0.2
97.02846	1.4
98.20494	0.3
99.00794	0.7
101.02341	5.2
101.90240	0.2
103.03938	0.5
107.01303	6.1
108.01639	0.2
109.02859	0.6
110.00010	0.3
111.00792	3.8
113.02348	2.0
119.03419	0.6
121.02901	0.3
123.00802	20.6
123.04424	0.3
124.01673	1.1
125.02372	30.4
126.02721	1.1
126.99505	0.2
127.00284	1.0
131.03461	0.4
136.98750	2.0
137.02359	1.0
139.00302	6.5
139.03929	0.3
140.01085	4.1
141.01880	3.3
143.03421	0.4
145.02890	0.4
149.02420	0.4
151.00311	15.4
151.03992	0.6
152.00679	0.4
153.01881	1.1
154.99844	0.3
159.02962	0.3
160.01729	0.2
161.02362	0.5
161.04539	0.7
163.04022	0.4
163.06090	2.3
163.07407	0.3
165.01926	0.4
166.99837	2.7
167.03404	0.4
168.00609	5.2
169.01379	41.9
170.01746	2.4
177.01927	0.2
177.04036	1.0
179.03496	0.6
180.05769	0.5
181.05072	0.3
181.06563	0.7
181.12328	0.6
183.04468	0.4
185.00931	0.2
193.01479	0.3
193.05013	0.5
199.86235	0.2
204.34300	0.2
205.07214	0.6
209.04568	0.2
211.02483	2.7
211.13409	1.1
212.13829	0.2
223.02457	0.4
225.05585	6.6
225.11407	1.1
225.14900	0.9
226.05923	0.6
241.03621	0.9
245.08189	0.3
253.03621	0.5
271.04626	2.6
272.05035	0.3
289.07181	0.7
301.00040	0.7
313.05710	14.3
314.06094	1.3
315.25534	0.3
329.05255	0.6
331.06848	0.3
387.15005	0.4
425.80371	0.2
479.32330	1.0
521.20117	0.6
538.33636	0.4
539.12427	3.6
539.21515	100.0
540.13129	0.6
540.21893	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	539.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	4.7
63.98607	0.5
67.01787	1.0
69.39900	3.7
69.40321	1.9
71.01268	4.3
73.02840	1.0
77.77603	0.5
79.01798	0.8
83.01260	1.2
85.02847	1.8
89.02309	0.8
95.01292	1.9
96.95914	5.5
96.96856	1.4
97.02826	0.7
98.20715	0.6
99.18026	0.6
101.02330	1.7
107.01286	5.4
111.00774	2.1
113.02357	1.8
115.57310	0.5
122.96787	0.5
123.00793	8.5
124.01517	1.6
125.02369	37.8
126.02699	1.9
127.00312	1.3
136.98746	1.1
137.02333	0.7
139.00328	3.1
140.01109	4.3
141.01872	0.9
151.00320	7.7
151.11217	0.6
168.00581	6.8
169.01379	49.8
170.01714	2.8
177.04041	0.7
197.97871	0.5
211.02417	4.1
225.05666	0.6
225.14911	1.6
241.03581	1.8
271.04645	8.3
272.05048	1.0
297.06073	1.5
301.00037	0.7
313.05710	9.6
314.05969	1.6
479.25052	1.2
521.19379	0.7
539.21436	100.0
540.21765	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	539.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90988	0.2
54.57571	0.3
57.03332	1.0
59.01271	3.1
61.98698	0.3
63.71950	0.3
64.86117	0.3
67.01769	0.8
69.03335	0.5
71.01241	2.5
72.01575	0.3
72.99184	1.1
73.02828	1.1
78.06567	0.4
79.01791	0.8
80.59968	0.3
83.01296	0.6
85.02853	0.9
87.00784	0.6
89.02332	0.8
95.01290	1.6
96.95895	0.5
97.02862	0.5
101.02367	2.2
107.01296	3.6
110.00063	0.3
111.00780	1.6
113.02370	1.0
116.92781	0.8
123.00806	10.1
123.04435	0.3
124.01586	0.5
125.02369	15.3
125.71654	0.3
126.02747	0.6
127.00307	0.9
136.98735	1.1
137.02426	0.3
137.09669	0.6
139.00305	3.0
140.01126	2.6
141.01889	1.7
147.82568	0.3
151.00313	8.0
151.07370	0.3
151.11223	0.7
153.01855	0.6
153.12775	0.4
159.02982	0.3
161.04483	0.3
163.06062	0.8
163.11301	0.4
166.76474	0.3
166.99898	0.6
168.00594	3.5
169.01382	24.7
170.01688	1.1
177.04001	0.7
179.14352	0.3
181.12314	0.3
195.13884	0.9
197.15408	0.9
197.49055	0.3
207.13765	0.5
211.02446	1.4
225.14923	2.0
252.90039	0.3
253.03506	0.5
271.04727	1.0
275.02103	0.3
297.06119	0.4
300.49686	0.4
301.00012	0.3
313.05753	4.4
314.06213	0.5
351.43024	0.3
479.25116	0.3
521.19366	0.3
539.21442	100.0
540.21783	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	539.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66099	0.5
55.01799	0.5
56.77024	0.4
57.03333	0.7
57.80731	0.4
58.00483	1.2
59.01266	61.2
67.01773	0.8
69.03340	1.0
69.52914	3.2
71.01274	12.4
72.99197	1.6
73.02835	1.1
76.75158	0.4
79.01779	1.1
83.01277	1.6
85.02848	3.1
85.48621	0.3
87.00783	0.9
87.55564	0.5
89.02338	14.0
89.37173	0.4
91.77840	0.3
95.01295	2.3
96.95918	2.6
97.02881	0.6
98.88131	0.4
99.00761	1.0
101.02349	10.3
103.41872	0.4
107.01303	4.2
109.02863	0.4
111.00791	2.0
113.02357	5.3
118.79557	0.4
119.03425	5.8
120.97383	0.5
123.00800	10.5
124.01609	0.8
125.02369	18.8
136.98711	0.9
137.02327	0.8
139.00288	3.7
140.01144	2.5
141.01897	1.1
150.03177	0.4
151.00307	5.3
153.01801	0.5
157.71783	0.4
163.11246	5.9
163.96194	0.4
164.11595	0.8
167.03384	0.8
168.00598	5.1
169.01379	20.4
170.01700	1.2
180.07831	0.6
187.84595	0.5
207.08368	0.8
207.10252	11.9
208.10599	0.5
211.02470	9.5
212.02812	1.1
213.58762	0.4
225.11226	0.5
271.01935	0.7
271.04657	10.1
272.04895	1.7
273.05026	1.3
285.04886	0.4
300.99908	0.9
313.05576	1.1
331.06552	1.0
365.56522	0.4
377.16010	1.3
387.16708	41.6
388.17038	4.0
439.12259	0.4
479.15613	5.2
491.19052	0.5
495.18781	0.7
521.16364	2.3
539.17590	100.0
540.17963	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	539.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01109	0.3
50.52969	0.3
57.03343	2.6
59.01264	9.1
61.98718	4.5
65.00233	0.4
67.01773	0.9
69.03358	1.9
69.22377	3.1
71.01276	4.2
73.02853	0.9
75.00769	1.1
79.01801	0.5
81.03341	2.6
83.01280	2.9
84.49295	0.3
85.02845	2.0
87.00788	0.5
88.98698	0.5
89.02343	1.4
91.05542	0.3
93.03355	1.1
95.01281	1.6
95.04938	1.6
96.95903	0.6
97.02853	5.0
99.00780	0.9
101.02347	2.8
107.01302	3.0
108.02071	0.5
109.02863	13.1
111.00805	1.3
113.02351	1.8
119.03423	0.6
119.04926	0.4
121.02866	1.9
121.03658	0.3
122.03695	0.5
123.00812	4.6
123.04449	7.0
124.01597	0.9
124.04797	0.4
125.02370	78.3
126.02715	3.0
127.00298	0.5
133.02814	0.4
135.04477	1.9
135.08096	1.1
136.98796	0.8
137.02377	9.6
137.06033	0.5
138.02998	0.4
139.00310	1.3
139.03952	2.1
140.01091	1.4
143.05061	0.4
145.02904	4.5
146.03627	1.1
147.04382	0.4
149.02373	4.7
150.03171	1.1
151.00305	1.4
151.03941	6.5
151.07570	0.5
159.04451	2.3
160.05177	0.8
161.02393	1.4
161.04504	1.6
161.06030	4.2
162.03146	1.1
163.03957	1.0
164.01051	1.5
165.01877	3.2
166.99821	2.3
167.03488	1.6
168.00645	2.5
169.01382	100.0
170.01730	4.7
171.01787	0.7
173.05927	0.4
175.03970	1.3
175.07591	1.0
177.01970	0.4
177.05579	0.6
179.03481	4.1
179.07065	4.2
180.07475	0.4
185.06058	1.3
187.03978	3.7
188.04724	2.1
189.05595	0.4
191.07086	2.4
193.01395	3.6
193.08646	0.3
199.07753	0.4
201.05586	0.8
201.09258	0.5
202.06331	1.5
203.03419	0.6
203.07121	8.5
204.07544	0.7
205.01550	0.4
205.05067	6.4
205.06836	0.6
211.02440	3.6
212.02805	2.0
212.04643	0.5
213.02992	1.3
213.05109	0.4
219.06587	1.1
221.08173	1.7
223.09822	1.4
225.05618	0.4
227.07158	1.7
230.05844	0.6
231.02939	1.5
233.08250	0.4
235.09711	2.5
245.08215	11.3
246.08495	0.8
247.06184	1.0
253.05107	1.0
257.11920	0.4
259.06204	0.7
263.09396	0.4
271.04462	2.3
271.06277	4.1
272.04968	4.7
273.05212	2.7
275.05786	0.8
289.07257	38.1
290.07629	2.9
299.12946	1.3
300.99887	0.7
303.05194	1.2
307.09811	0.6
315.05206	0.4
325.10852	1.7
331.07135	0.5
332.07214	0.8
333.07312	0.7
341.10211	0.3
343.11951	5.8
344.12213	0.6
369.13452	4.9
370.13901	1.0
377.16187	0.4
387.14600	50.3
388.14880	5.0
389.12595	0.4
397.09299	0.4
428.16803	0.4
429.11899	0.9
441.08423	4.8
453.04202	0.5
479.26230	1.2
479.32440	3.8
495.12384	0.4
521.20886	0.8
538.33710	0.7
539.15588	6.9
539.21973	5.2
539.34283	0.7
540.15887	1.3
540.23077	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.6
59.01267	4.0
65.00208	1.0
65.03859	0.3
67.01784	1.4
68.99695	0.6
69.03346	1.4
71.01272	2.8
71.58454	0.5
72.99200	1.1
73.02832	1.0
73.50743	0.4
73.51185	0.3
79.01784	1.1
81.03362	0.9
82.00486	0.4
83.01286	1.2
85.02857	1.2
87.00775	0.9
89.02345	1.2
95.01302	3.0
96.30692	0.3
96.95919	0.8
97.02872	1.5
99.00769	0.4
101.02348	2.2
102.61226	0.3
103.00317	0.4
106.03989	0.6
107.01302	8.9
107.02421	0.5
109.02901	0.6
110.00027	0.5
111.00800	3.8
113.02376	0.8
119.05004	0.3
122.99902	0.8
123.00805	15.9
124.01640	2.2
125.02372	42.8
126.02700	1.5
127.00309	1.2
136.98746	1.7
137.02335	0.9
138.99239	0.6
139.00311	6.3
140.01111	6.4
141.01900	1.9
145.02924	0.5
149.02356	0.4
151.00322	10.6
151.03973	0.5
152.20847	0.3
153.01834	0.9
154.99850	0.5
161.04536	0.4
163.04031	0.5
165.01945	0.5
166.99817	1.2
167.03340	0.8
168.00609	10.0
169.01385	49.8
170.01715	2.1
175.03970	0.5
179.03510	0.6
181.01346	0.4
181.05077	0.5
193.01384	0.4
193.05128	0.7
211.02480	8.7
211.04372	0.6
212.02809	0.8
237.04149	0.7
271.04648	12.2
272.05063	0.9
273.07962	0.6
289.07428	0.6
297.06332	0.5
313.05768	1.5
331.06815	4.8
347.14667	0.5
347.18726	0.3
353.12381	0.8
369.07800	0.6
369.12039	6.2
370.12451	0.8
387.13083	20.8
388.13339	2.0
412.58856	0.4
509.20853	0.4
521.19775	1.1
539.14258	100.0
539.21704	23.5
540.14581	13.7
540.21991	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00023	0.3
55.01773	0.5
59.01262	0.8
65.00218	0.4
67.01775	1.0
68.99715	0.5
69.03358	0.7
71.01268	3.4
71.59511	0.2
72.99207	0.8
73.02837	1.6
73.23203	0.3
79.01799	0.8
81.03384	0.6
83.01282	0.9
85.02867	1.8
87.00793	0.9
95.01292	2.5
97.02882	1.2
99.00756	0.4
101.02357	1.5
104.06920	0.2
107.01296	6.8
109.02872	0.6
110.00044	0.4
111.00800	3.3
113.02335	1.2
123.00803	13.2
124.01621	2.1
125.02367	37.1
126.02708	1.1
127.00294	0.9
136.98763	2.3
137.02379	0.6
139.00305	4.9
139.03958	0.4
140.01083	4.1
141.01836	1.9
142.97444	0.2
147.04445	0.4
149.02429	0.3
151.00311	9.6
151.03911	0.8
153.01859	1.4
161.04533	0.5
162.03340	0.3
163.03912	0.8
165.01900	0.4
165.05597	0.4
166.98610	0.2
166.99767	1.4
167.03456	0.4
168.00598	8.2
169.01379	49.2
170.01689	2.0
170.35501	0.3
175.03981	0.6
177.01886	0.4
179.03432	0.8
181.01344	0.3
181.05022	0.4
188.16998	0.2
191.03455	0.4
193.01414	0.6
193.05023	0.4
203.08841	0.3
207.02971	0.9
211.02499	0.9
223.02408	0.4
237.04059	1.0
253.03618	0.4
295.04654	2.2
297.06213	1.0
300.99988	0.5
313.05682	3.0
314.06165	0.3
347.11093	0.3
353.08752	0.5
369.08334	10.3
370.08499	1.3
373.69986	0.3
377.12949	0.3
387.09402	19.3
388.09808	2.5
539.10522	100.0
540.10870	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	539.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01782	0.4
57.03326	0.5
59.01263	1.9
65.00217	0.6
67.01780	1.2
68.99721	0.4
69.03349	1.0
71.01276	3.6
72.99207	0.9
73.02845	1.2
73.88235	0.3
79.01780	1.6
81.03379	0.5
83.01295	1.2
85.02882	2.2
85.03329	0.4
87.00784	0.9
93.03358	0.4
95.01288	3.3
96.26888	0.3
96.95901	0.8
97.02857	1.2
98.20661	0.7
99.00817	0.8
101.02338	1.7
101.84653	0.3
107.01300	7.0
109.02874	0.8
110.00005	0.6
111.00801	3.7
113.02370	1.8
121.02853	0.3
123.00813	16.0
124.01650	2.0
125.02374	39.8
126.02734	1.3
127.00291	1.2
136.98732	1.6
137.02376	1.0
139.00314	5.3
139.03934	0.4
140.01112	5.0
141.01921	2.0
145.02866	0.5
149.02361	0.7
151.00327	9.5
151.03867	0.6
152.00647	0.4
153.01874	1.2
163.00331	0.9
163.03961	0.6
164.00941	0.3
165.01889	1.0
165.05641	0.3
166.02753	0.4
166.99806	1.5
167.03474	0.4
168.00606	7.3
169.01392	48.6
170.01706	2.0
173.36334	0.3
175.03940	0.6
177.01907	0.6
179.03462	1.0
181.01453	0.6
185.00903	0.4
190.99847	0.6
191.03545	0.5
193.01395	0.9
193.05106	0.6
211.02457	3.2
212.02814	0.3
223.02414	0.4
229.01512	0.4
229.71130	0.4
237.04027	0.5
241.03526	0.5
247.02496	0.4
253.03575	0.5
271.04990	0.4
273.00394	0.4
275.02197	0.7
295.04828	1.9
295.07669	0.3
296.05392	0.8
297.06216	2.4
299.99225	0.5
301.00024	2.5
313.05743	5.5
321.31854	0.3
332.09055	0.3
347.11252	0.8
369.08395	4.7
377.12549	1.2
387.09430	13.8
388.09671	1.0
455.37613	0.3
465.06885	2.3
495.11276	0.4
539.10535	100.0
540.10907	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	538.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.7
57.03345	0.9
59.01266	65.6
60.01603	2.1
61.98720	14.1
64.68552	0.4
67.01784	1.0
69.03356	0.9
69.24805	0.3
71.01272	12.7
71.59155	0.4
71.59528	0.5
72.01630	0.6
72.99217	1.1
73.02834	3.2
75.05931	0.4
79.01784	1.6
81.03361	0.5
83.01285	2.7
83.04942	0.4
85.02843	6.2
86.03183	0.5
87.00786	1.3
88.98664	0.5
89.02336	3.1
93.03361	1.5
95.01289	2.7
96.99236	0.3
97.02868	1.5
99.00779	1.8
99.48431	0.4
101.02352	8.5
102.02692	0.6
107.01294	10.8
108.01607	0.4
109.02856	0.4
109.99969	0.6
111.00771	2.0
113.02361	5.0
114.02747	0.5
119.03420	0.5
119.05044	0.4
120.49101	0.4
123.00808	15.4
123.04399	0.6
124.78534	0.4
125.02373	39.9
126.02728	1.4
127.00303	0.6
135.04419	0.4
136.98735	1.4
137.02361	2.1
138.86026	0.4
139.00311	4.3
140.01089	3.2
141.01910	2.1
143.03461	0.5
145.02930	0.6
149.02307	0.5
151.00319	9.2
151.03981	0.6
153.01926	0.6
159.02953	1.1
161.02432	0.6
161.04515	7.2
162.04868	1.1
163.03922	0.5
168.00626	3.5
169.01385	55.5
170.01669	2.2
179.03433	0.6
181.01453	0.7
193.01489	0.4
205.03545	0.6
207.41962	0.4
211.02440	1.7
223.02563	1.0
223.06384	3.5
251.59091	0.4
253.03506	0.9
289.07202	1.2
297.06369	0.6
313.05707	9.5
314.06250	0.9
315.19736	5.5
315.25522	1.5
316.20084	4.9
316.25714	0.5
317.17599	1.0
390.23813	0.4
439.09729	0.4
477.29175	6.1
478.29977	4.3
479.22754	0.7
511.12280	0.8
536.26190	0.4
537.29871	0.8
538.13660	100.0
539.13995	16.6
539.21344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	3.3
61.98720	100.0
62.94287	0.1
62.98420	0.2
67.56310	0.1
69.03358	0.2
69.41602	0.9
71.01270	1.6
72.99226	0.2
73.02850	0.3
75.00745	0.2
75.32803	0.1
80.70034	0.1
81.03335	0.2
83.01296	0.3
85.02869	0.5
87.00764	0.3
88.98708	0.5
89.02338	1.0
95.01294	0.2
97.02879	0.2
99.00805	0.2
101.02355	0.9
109.02880	0.4
111.00792	0.2
113.02381	0.5
119.03433	0.2
121.02928	0.2
123.00835	0.4
123.04433	0.2
124.01662	0.2
125.02387	2.6
126.07224	0.1
133.02904	0.1
137.02399	0.4
138.54646	0.1
139.00314	0.2
145.02925	0.5
149.02417	0.2
151.00307	0.3
151.03955	0.2
161.04530	0.4
162.03145	0.2
165.01816	0.2
166.99832	0.1
168.00638	0.4
169.01382	3.6
170.01746	0.4
177.01984	0.2
179.05682	0.2
180.52869	0.1
189.70857	0.1
211.02502	0.3
271.06445	0.2
289.07327	0.5
298.98026	0.3
299.97958	0.1
300.99570	0.1
312.99994	0.1
313.05740	0.2
314.00290	0.3
315.00522	0.3
316.00635	0.2
328.02383	0.3
329.02911	0.4
330.03073	0.3
331.03415	0.2
343.04587	0.3
344.05069	0.4
345.05280	0.5
346.05643	0.4
357.26743	0.3
375.27631	0.7
387.14667	0.4
422.25406	0.1
479.26602	0.2
537.24005	0.5
537.33197	2.6
538.23676	0.7
538.33453	0.9
539.21552	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	537.3299
Annotation	Virenamide A
Peak:m/z	Relative Intensity
55.01765	0.6
57.03345	1.2
58.00482	0.9
59.01266	13.6
60.99174	0.2
61.98702	0.7
67.01743	0.2
69.03341	0.8
69.36716	1.6
71.01272	9.0
72.01583	0.2
72.99207	0.9
73.02836	1.5
75.00764	0.9
79.01781	0.2
81.03359	0.2
83.01276	1.5
83.04920	0.2
85.02846	3.6
85.15179	0.2
87.00751	0.9
87.04396	0.3
88.98714	1.4
89.01823	0.3
89.02338	4.7
92.27065	0.2
95.01267	1.2
96.95927	0.2
97.02847	0.6
97.06470	0.3
98.95483	0.3
99.00775	0.6
101.02347	5.8
107.01293	1.3
109.02865	0.3
109.06491	0.2
111.00789	0.9
113.02356	2.7
119.03419	1.3
123.00809	2.2
123.04446	0.2
123.08064	0.5
124.01560	0.3
125.02367	11.1
125.09621	0.2
125.36752	0.2
126.02711	0.5
127.00340	0.2
131.03421	0.2
135.08134	0.2
136.98705	0.2
137.02394	0.8
139.00302	0.9
139.03946	0.2
139.11176	0.3
140.01044	0.7
141.01845	0.5
141.09172	0.2
143.03419	0.3
145.02896	0.2
145.65392	0.2
149.04507	0.4
151.00293	1.4
151.03969	0.3
154.60156	0.2
157.12263	0.7
161.04459	0.5
161.09717	0.2
163.03864	0.2
165.01880	0.4
166.99799	0.2
167.03490	0.3
168.00613	1.9
169.01379	15.8
169.12311	0.5
170.01718	0.9
170.68039	0.2
174.19975	0.1
177.01808	0.2
179.10742	0.3
185.00882	0.3
185.11766	1.0
203.61951	0.2
210.92497	0.2
211.02461	5.3
212.02873	0.3
215.12842	0.4
223.09749	0.5
241.03517	0.4
251.20076	0.3
253.03357	0.2
271.04617	6.4
272.05045	0.5
285.20874	0.3
285.26935	0.2
287.22214	0.2
289.07358	0.4
300.99979	0.2
311.22266	0.4
313.05713	8.1
314.06042	0.7
315.19843	0.2
327.25397	0.3
329.23346	1.7
331.06784	1.1
339.25439	0.9
355.25378	0.3
357.26566	7.2
358.26849	0.7
373.26047	0.9
374.26035	0.2
375.27585	19.8
376.27853	2.3
385.15140	0.3
389.28897	0.2
417.28784	0.3
447.12851	0.7
477.24341	0.5
477.30530	0.2
493.17303	3.6
494.17538	0.6
501.19962	0.5
509.11197	0.2
519.31842	1.8
520.32031	0.2
537.15900	5.6
537.32892	100.0
538.16479	1.0
538.24896	0.7
538.33246	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17654	0.2
55.01765	0.7
55.54374	0.2
57.03333	0.6
58.00489	0.2
59.01265	100.0
59.66903	0.2
60.01607	1.3
61.98722	5.9
64.87621	0.2
69.03343	0.2
71.01271	10.8
71.53623	0.3
72.99207	0.7
73.02837	3.9
75.00746	0.3
77.32063	0.2
78.95808	0.2
83.01276	1.8
83.01654	0.2
85.02842	5.4
87.00796	0.6
88.98721	0.5
89.02337	2.1
93.03381	0.6
95.01285	1.1
96.95918	0.2
97.02877	0.6
99.00796	1.4
101.02351	9.2
102.02676	0.3
105.51434	0.2
107.01303	1.3
109.02858	0.2
111.00809	0.6
113.02361	4.9
114.02676	0.2
118.86538	0.2
119.03451	0.8
123.00802	2.0
125.01450	0.3
125.02365	6.2
129.01886	0.4
137.02412	1.6
139.00314	0.6
140.01108	0.5
141.01909	0.2
143.03477	1.0
145.02959	0.2
151.00287	0.9
152.99562	0.3
159.02962	1.6
161.02412	0.4
161.04504	9.6
162.04926	0.5
168.00624	0.8
169.01389	6.5
179.03482	0.4
179.05670	0.2
205.03564	0.8
211.02505	0.3
223.06418	0.3
275.53372	0.2
313.05792	1.2
315.19757	4.8
315.25677	0.6
316.20132	0.8
373.18027	0.2
455.32220	0.2
477.29031	12.8
478.29266	2.6
521.27612	0.4
537.23962	0.4
537.31805	1.1
538.13666	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	537.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.3
57.03332	0.5
59.01249	0.8
61.26491	0.2
61.98717	0.6
65.03841	0.6
67.05412	0.4
69.03353	0.3
71.04909	0.7
71.51836	0.4
72.99200	0.4
73.02837	2.3
73.85246	0.2
77.12933	0.2
79.05427	0.2
83.04914	0.5
85.02853	0.5
93.03374	1.5
95.04924	1.1
97.06489	0.3
99.04428	1.9
106.04150	0.3
107.04925	0.3
109.02868	2.9
109.06504	0.3
109.07198	0.2
111.04411	1.1
111.08073	1.3
117.06972	0.2
119.04931	1.3
121.06511	0.4
121.10107	0.2
123.04441	0.6
123.08109	0.4
125.02436	0.2
125.05997	0.6
127.07572	0.4
130.04155	0.2
130.07755	0.2
133.06505	0.4
135.04439	0.3
135.08115	0.3
137.06073	0.3
138.03105	0.2
139.07596	0.8
143.04990	0.4
145.10129	0.9
147.11737	100.0
148.12077	5.9
149.06004	0.4
149.09697	0.4
150.06801	0.2
151.07587	0.9
155.08617	0.3
157.06512	0.3
158.07265	0.2
159.04471	0.2
159.08107	0.3
161.06041	0.8
161.09659	0.5
162.06763	0.4
163.07634	0.6
165.05548	0.6
165.09167	0.4
167.07108	0.3
171.08118	0.7
172.05203	0.2
173.09679	17.3
174.10001	0.9
175.11249	0.2
177.09210	0.6
179.07022	0.3
181.08659	0.2
185.06152	0.4
185.09666	0.2
187.07549	0.2
187.11266	0.8
189.09245	0.3
191.07234	0.2
191.10756	1.9
197.09686	0.2
199.11259	0.4
202.09940	0.2
203.10764	0.6
205.12308	0.9
215.10814	0.5
217.12347	2.2
227.10847	0.5
233.11877	0.5
235.13440	0.9
243.10423	0.3
245.11752	0.4
251.09343	0.4
275.65344	0.2
291.19550	0.2
292.13977	0.2
297.14880	1.2
299.16425	0.2
309.15140	1.3
312.13773	0.4
315.16077	0.7
317.17673	0.2
327.16077	2.6
328.16199	0.2
330.14957	0.3
333.17322	0.3
345.17133	2.6
346.17474	0.3
363.18179	5.4
364.18420	0.4
403.45868	0.2
420.74277	0.2
519.27747	0.4
537.28662	3.8
538.29205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.1
59.01270	2.5
61.98724	2.5
63.60596	0.4
65.03873	0.5
71.04891	0.4
71.60427	0.7
71.60819	0.6
73.02834	1.0
85.02851	2.0
87.04428	0.4
93.07008	0.4
95.04922	4.0
97.06547	0.5
102.04612	0.4
103.03922	0.5
106.04173	0.4
107.04954	1.1
107.81379	0.4
109.06526	0.4
113.05987	1.0
115.07582	1.0
119.04956	1.5
121.06519	1.5
121.10226	0.5
123.04423	1.3
123.08086	0.6
125.06002	0.9
130.87918	0.4
133.06549	1.2
134.96341	0.4
135.04440	0.4
135.08095	0.9
139.03864	0.4
143.04980	0.5
143.08598	0.5
145.10167	1.3
147.11740	100.0
148.12051	4.9
148.53030	0.4
149.06018	0.9
150.06796	1.1
151.07599	2.6
155.08501	0.5
157.06526	0.5
163.07617	0.8
163.58871	0.4
165.09169	0.5
171.08092	1.0
173.09683	21.1
174.10014	1.3
175.07649	0.9
175.11223	0.7
179.74063	0.5
187.07611	0.4
189.09219	0.5
191.10773	2.3
199.07593	0.5
201.09186	0.4
205.08632	0.5
207.10271	0.6
215.10742	0.5
217.08701	2.7
219.10384	1.0
227.10820	0.8
238.10031	0.4
239.10793	0.6
245.11992	0.8
257.11877	0.6
259.13535	0.7
267.14026	0.7
268.11206	0.5
279.13919	0.9
285.14960	0.8
286.12207	1.5
297.15002	3.6
298.15430	0.6
309.15167	1.4
315.16113	7.3
316.16476	0.6
327.16052	3.1
333.17163	3.9
345.17090	2.8
363.18173	1.5
474.62531	0.4
537.28009	2.5
538.29333	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.7
57.03329	0.3
59.01267	16.7
61.98721	0.9
71.01274	7.7
71.22292	0.4
72.99214	0.3
73.02843	2.7
83.01286	1.5
83.33971	0.2
85.02847	4.5
87.00774	0.4
89.02345	0.5
95.01300	0.7
99.00774	1.4
101.02351	6.4
113.02369	2.8
114.61534	0.2
125.02386	0.3
129.01840	0.2
132.09294	0.2
143.03432	0.6
154.32343	0.2
159.02983	0.7
161.04503	4.5
162.04825	0.3
185.09668	0.6
199.11220	0.3
241.16145	0.3
263.34610	0.2
297.18500	1.1
300.99640	0.2
312.99899	0.6
313.18082	0.3
315.19717	100.0
316.20068	12.5
316.23831	0.5
477.25040	48.4
478.25366	8.6
537.28632	0.8
538.28424	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.8
57.03319	4.4
58.00488	1.0
58.79128	0.9
59.01265	100.0
61.98722	14.5
69.03332	3.8
69.29343	9.4
71.01272	40.6
72.01584	1.2
72.99188	3.3
73.02837	13.1
75.00768	3.3
81.03338	1.5
83.01260	7.6
83.04898	1.3
85.02843	16.9
86.78105	1.2
87.00771	3.4
88.98679	2.2
89.02338	12.1
93.03345	7.3
95.01283	4.4
97.02840	2.7
98.20499	2.2
99.00778	6.3
99.04401	1.5
101.02345	34.3
107.01305	2.3
109.02856	1.6
111.00729	2.5
113.02359	17.7
113.05998	1.9
113.63158	1.0
117.03374	1.0
119.03400	4.6
119.04858	1.3
122.03777	1.3
123.00818	5.9
125.02386	14.5
137.02379	13.9
138.02711	2.8
139.00313	2.7
139.02861	3.1
140.01062	1.9
141.01828	1.4
143.03445	3.9
145.02879	3.9
150.03207	1.6
151.00305	2.6
151.03979	2.2
159.02913	2.8
160.01480	1.0
161.02469	2.0
161.04512	33.0
163.03969	2.1
165.01848	1.4
168.00645	5.5
169.01382	17.0
169.12430	1.0
179.05573	1.5
185.00804	2.7
203.50177	0.9
205.03445	2.1
211.02400	5.1
213.05507	2.7
221.04529	1.1
271.04587	6.1
282.68735	1.1
289.07248	2.1
301.00027	1.8
313.05396	1.2
313.18115	4.0
315.16214	1.4
315.19781	17.8
316.20084	2.4
357.26471	2.2
359.18683	2.0
359.28143	2.7
375.21823	1.1
375.27707	3.1
385.13638	1.1
460.65051	1.4
477.25046	80.1
478.25449	13.5
493.20987	3.4
537.23260	16.9
537.32819	12.8
538.24231	2.2
538.33209	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03360	0.2
58.00497	0.3
59.00998	0.6
59.01266	12.5
59.47688	0.2
60.99220	0.3
61.98717	4.9
62.39339	0.3
67.01816	0.6
69.03365	0.6
69.25501	2.6
71.01270	5.1
72.99255	0.6
73.02828	1.1
75.00764	3.8
79.01832	0.2
83.01290	1.0
85.02847	1.6
87.00817	0.6
88.98698	1.1
89.02336	2.3
93.03403	0.6
95.01331	1.0
97.02895	0.7
98.20526	0.5
99.00815	0.4
101.02361	3.1
107.01288	3.4
109.02902	0.3
111.00782	2.0
113.02353	1.6
117.03394	0.2
119.03449	0.5
119.05000	0.3
121.02885	0.4
122.50316	0.3
123.00801	3.9
124.01542	1.4
125.02370	22.5
126.02761	0.8
127.00310	0.4
136.98715	1.2
137.02370	1.4
139.00317	2.6
139.03938	0.5
140.01089	3.1
141.01863	0.2
143.03471	0.3
145.02931	1.3
146.03136	0.3
149.02441	0.4
150.03142	0.3
151.00313	1.6
151.04042	0.4
154.99857	0.3
159.02901	0.3
161.02422	0.4
161.04510	1.8
163.06071	0.5
164.04750	0.3
165.01892	0.7
166.99849	0.3
167.03500	1.0
168.00601	11.2
169.01382	30.6
170.01741	1.4
179.05594	0.4
181.01472	0.3
183.02922	0.4
185.00800	0.2
193.01433	0.5
206.99849	0.2
211.02472	51.6
212.02817	2.9
241.03574	1.6
271.04645	100.0
272.04980	7.2
289.07095	0.3
298.98465	0.3
299.98923	0.3
300.99841	0.2
313.05640	0.5
315.19641	1.0
331.06781	20.3
332.07236	1.7
375.23541	0.5
375.27817	0.3
477.24872	2.0
537.19519	7.6
537.33691	2.8
538.20239	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.5
58.00491	0.5
59.01042	0.3
59.01265	8.9
61.98716	1.0
64.51212	0.3
65.00213	0.4
67.01789	1.4
68.99735	0.4
69.03347	0.9
70.90727	0.8
71.01270	6.5
72.99200	1.3
73.02850	0.7
79.01787	1.0
83.01291	1.7
83.71394	0.3
85.02862	1.7
85.96239	0.4
87.00773	0.9
88.98708	0.7
89.02341	3.3
93.32581	0.3
95.01288	3.2
97.02876	0.9
99.00779	0.4
101.02363	3.6
103.00212	0.3
107.01300	7.4
109.02879	0.9
110.00031	0.4
111.00787	3.1
113.02370	1.9
117.69193	0.3
119.03419	1.0
119.04918	0.4
121.02928	0.3
123.00804	14.4
123.04432	0.7
124.01553	2.2
125.02372	35.0
126.02699	1.2
127.00298	1.0
133.02873	0.4
136.98758	2.5
137.02386	1.3
137.06009	0.3
139.00317	6.4
139.03947	0.9
140.01115	5.7
141.01889	1.7
149.02391	0.5
149.04611	0.3
151.00319	6.3
151.03941	0.8
153.01884	1.2
153.09178	0.5
154.99837	0.4
161.02402	0.5
161.04503	0.5
163.00356	0.5
163.03937	0.4
165.01932	1.4
166.99846	1.0
167.03474	1.3
168.00612	12.7
169.01384	52.0
170.01724	2.2
175.04013	0.5
177.02016	0.4
177.04034	0.8
179.03537	0.6
179.05637	0.3
183.03000	0.8
189.01918	0.3
193.01450	0.5
205.12299	0.5
211.02481	52.5
212.02817	3.0
223.09731	0.4
241.03557	2.3
253.03619	0.4
271.04651	99.3
272.04987	6.8
289.07333	0.7
301.00125	0.6
313.05774	7.3
317.06818	0.8
331.06784	18.2
332.07162	2.0
343.04593	0.5
357.26498	0.6
357.90112	0.3
375.27640	1.7
390.75821	0.3
443.40192	0.4
475.18518	0.4
477.23553	2.3
493.17197	0.8
537.19958	100.0
537.31750	7.8
538.20270	17.3
538.33435	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.6
58.51260	0.4
59.01265	5.3
67.01789	1.0
67.02489	0.4
68.62052	0.4
69.03344	0.5
71.01278	2.9
72.99193	0.5
73.02828	1.0
79.01785	1.2
83.01279	1.1
85.02841	1.9
87.00770	0.6
87.03847	0.3
88.98693	1.8
89.02333	2.0
93.33725	0.4
95.01292	2.5
96.95890	0.4
97.02854	0.7
98.20589	0.7
101.02345	2.7
107.01289	4.2
107.04962	0.5
109.02882	0.4
111.00801	2.4
113.02354	1.6
119.03438	0.6
119.04907	0.4
121.06496	0.7
123.00804	13.3
123.04371	0.5
124.01606	0.8
125.02367	22.7
126.02682	0.7
127.00289	0.9
127.84666	0.4
136.98735	1.2
137.09660	3.1
139.00298	4.1
140.01108	3.8
141.01895	2.0
151.00316	10.7
152.00624	0.9
153.01875	0.9
163.00322	0.6
163.06030	0.6
163.11243	0.5
166.99771	0.6
167.03493	0.5
168.00595	4.6
169.01385	33.0
170.01672	1.3
191.03583	0.5
199.45042	0.4
205.12300	1.1
211.00444	0.6
211.02475	11.5
232.00764	0.4
235.28592	0.4
241.03462	0.7
245.59718	0.4
253.03455	0.6
270.04086	0.5
271.04636	11.3
272.04938	0.7
275.02020	0.7
297.06088	0.6
300.02649	0.5
301.00153	1.0
301.03452	0.6
313.05734	4.0
314.05801	0.4
319.07986	0.5
331.06659	0.6
387.09454	1.3
399.09473	2.5
400.09653	0.6
447.09229	1.3
477.23651	1.3
493.17212	2.1
519.18756	8.3
520.18701	1.1
537.19873	100.0
538.20258	17.3
538.28656	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	537.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53431	0.5
59.01265	3.9
59.33290	0.5
63.29952	0.5
69.58417	4.1
69.58761	0.9
70.94716	0.5
71.01268	1.7
73.68097	0.5
78.63541	0.5
79.01817	0.7
80.15686	0.5
85.02821	1.0
89.02321	0.9
95.01291	1.6
97.02873	0.6
98.19799	1.0
101.02336	1.3
107.01289	3.5
111.00791	1.5
113.02365	1.0
123.00800	10.4
125.02369	13.1
127.00294	0.6
136.98685	0.9
139.00305	3.1
140.01097	3.3
141.01831	1.4
151.00311	8.0
153.01855	0.6
153.09213	0.9
163.93242	0.5
168.00621	4.6
169.01373	20.6
170.01732	0.7
177.04044	0.7
181.26880	0.5
205.12274	1.4
211.02489	5.6
271.04636	5.5
272.04852	0.6
272.77390	0.4
294.50998	0.5
306.80197	0.5
313.05722	0.8
331.06921	0.6
337.78210	0.5
352.07043	0.6
473.01251	0.5
529.47028	0.7
537.19885	100.0
538.20227	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	537.199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42480	0.2
59.00993	0.5
59.01265	4.4
59.01538	0.4
67.01746	0.7
68.99694	0.3
69.03352	0.3
71.01269	2.9
71.36782	0.5
72.99210	0.5
74.04394	0.2
78.34417	0.3
79.01776	0.5
81.03357	0.3
83.01279	0.5
85.02842	0.7
87.00763	0.4
89.02351	1.1
92.67334	0.3
95.01286	1.0
96.95950	0.4
99.00795	0.2
101.02341	1.2
107.01301	3.5
109.02823	0.4
111.00794	2.2
113.02370	0.8
115.10795	0.2
123.00805	6.0
124.01544	1.8
125.02370	21.7
126.02684	1.1
127.00301	1.0
136.98735	1.4
137.02393	0.6
139.00308	3.0
139.04004	0.6
140.01102	3.1
141.01859	0.7
150.02966	0.2
151.00291	3.1
153.09157	0.5
153.35153	0.3
154.99826	0.6
165.01895	1.0
166.99792	0.5
167.03452	1.4
167.99146	0.6
168.00598	12.5
169.01378	35.7
170.01678	1.5
183.03001	0.3
197.04622	0.2
211.02472	63.8
212.02843	2.8
217.01231	0.2
241.03548	1.5
247.02583	0.5
253.03667	0.4
271.04648	100.0
272.02054	0.3
272.04984	6.7
287.05652	0.3
300.99799	0.7
313.05811	0.3
331.06775	26.0
332.07144	2.2
378.26199	0.2
381.70877	0.3
412.83603	0.3
503.40482	0.3
537.19928	35.2
538.12811	0.4
538.20319	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	537.09
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01279	1.0
67.01797	0.8
70.81200	1.5
70.81546	1.2
71.01241	0.8
73.02858	0.7
78.98405	0.7
93.19184	0.6
95.01279	2.5
102.51387	0.7
123.00780	3.9
125.02283	0.8
139.00264	0.7
145.02898	1.7
147.04431	1.5
157.02919	1.1
165.01906	0.7
166.99759	1.2
169.01318	1.5
173.02390	1.5
173.70346	0.7
175.91988	0.7
185.02380	3.0
189.01892	1.6
191.03494	1.2
195.39182	0.6
201.01910	3.1
203.03494	3.0
213.01904	1.0
217.01315	1.0
219.02950	0.7
229.01479	6.9
231.03000	2.6
232.36574	0.8
245.00954	2.6
247.02481	1.5
257.00967	6.7
258.01590	2.2
274.01202	2.2
275.02051	22.7
276.02267	1.7
283.99719	3.2
290.18820	0.7
294.95886	0.8
299.99188	4.0
300.99957	88.4
302.00357	7.5
302.19766	0.7
309.00168	0.8
397.09625	0.9
493.10086	2.7
537.08972	100.0
538.09302	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	537.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.8
58.00461	0.5
59.01265	3.7
61.98713	1.0
66.24183	0.4
66.96436	0.4
67.01778	1.1
68.99691	0.6
69.03352	0.6
70.99842	1.2
71.01263	4.7
72.99191	0.9
73.02828	0.6
74.96235	0.4
77.52060	0.4
79.01792	1.3
83.01271	1.5
85.02828	2.0
87.00746	0.9
89.02351	1.8
95.01283	2.2
97.02875	1.1
101.02339	2.2
107.01292	5.5
107.04898	0.4
109.99988	1.2
111.00793	3.8
113.02376	1.3
117.12390	0.4
121.02837	0.5
121.06526	0.6
121.44800	0.5
123.00804	12.0
124.01627	2.2
125.02368	34.8
126.02707	1.0
127.00339	2.0
136.98721	2.8
137.02451	0.7
137.09618	0.7
139.00301	6.7
140.01091	6.9
141.01843	1.6
145.96654	0.4
151.00293	7.6
151.03908	0.8
153.01854	0.7
153.09151	0.5
154.99812	1.0
165.01891	0.6
165.09187	0.8
166.99725	0.7
167.03448	1.3
168.00604	14.4
169.01381	54.1
169.61136	0.4
170.01715	2.5
179.10747	1.2
181.01332	0.5
181.97784	0.4
187.11244	0.6
193.01442	0.5
205.12354	3.2
211.02481	32.5
212.02812	2.3
223.02599	0.6
223.13382	0.6
241.03568	1.7
253.03688	0.5
271.04648	58.0
272.04962	3.7
297.06180	3.9
300.99976	0.9
313.05725	6.7
331.06763	11.6
332.07080	0.9
333.64499	0.4
344.77750	0.5
357.13522	1.0
393.70273	0.5
493.17303	3.8
519.18817	23.1
520.19177	3.4
537.19910	100.0
538.20306	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	537.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.7
60.99192	15.5
65.00195	0.6
66.70547	0.4
69.44581	2.3
69.45016	1.9
83.01273	0.6
86.69949	0.5
88.98699	100.0
89.99053	1.2
107.01301	1.8
109.02880	1.0
121.02850	1.2
123.00799	1.5
125.02352	3.7
131.36485	0.5
139.00339	0.7
140.00972	0.5
151.00319	7.0
159.22066	0.6
163.00320	2.2
168.00685	0.8
169.01385	4.2
178.18002	0.4
178.99797	2.5
181.77303	0.5
190.99835	0.6
202.66194	0.4
211.02437	1.1
226.02695	0.5
227.03525	1.1
243.02914	2.4
245.04514	0.9
254.02203	0.7
255.03018	9.9
271.02499	15.9
272.02957	2.1
283.02591	1.0
300.02817	32.0
301.03555	25.1
302.03848	1.8
447.09415	62.9
448.09711	8.5
537.19989	13.2
537.28198	0.9
538.20624	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3136
Annotation	glas#24
Peak:m/z	Relative Intensity
53.51207	0.3
54.80017	0.2
55.01763	0.9
57.03320	1.0
58.00470	0.9
59.01265	13.9
61.98714	1.5
68.23323	0.2
69.03333	0.3
69.30715	0.2
69.70758	1.9
71.00896	0.5
71.01271	9.2
72.28107	0.3
72.99200	0.7
73.02838	1.9
73.05276	0.2
73.77448	0.2
75.00770	1.1
78.95786	1.5
79.95615	0.5
83.01268	1.9
85.02852	3.5
85.55826	0.3
87.00779	0.9
89.01830	0.4
89.02341	5.7
93.03351	0.3
95.01268	1.1
95.04919	0.2
96.95916	16.7
96.96835	2.9
97.02809	0.3
97.06467	0.4
98.02382	0.5
99.00763	0.8
101.02341	7.4
107.01259	0.6
109.02853	0.6
111.00764	0.5
113.02372	3.4
116.92796	0.3
119.03410	1.5
121.02859	1.6
122.03201	0.6
123.00794	1.7
123.04446	0.7
123.08073	0.7
125.02382	4.8
137.02376	0.7
139.00272	0.7
139.11162	0.4
145.02911	1.7
151.00293	1.1
151.03925	0.5
152.00665	0.3
157.12286	0.6
159.02917	0.4
159.08604	0.3
161.02397	0.4
161.04469	0.5
165.01865	0.4
168.00574	0.6
169.01384	3.4
170.01711	0.4
177.01781	0.3
179.05551	0.4
185.11812	5.8
211.02409	0.4
214.12201	0.5
215.12805	0.7
248.02509	0.3
267.19635	0.3
271.04584	0.4
289.07263	0.9
297.97702	0.6
300.99783	0.5
312.99988	0.8
327.21869	0.5
328.02173	0.4
343.04468	1.4
343.24954	0.8
355.24945	4.5
356.25525	0.3
371.24530	0.4
373.12958	0.5
373.26050	15.6
374.26410	1.3
395.64520	0.3
412.13373	0.7
413.13492	1.5
475.29254	0.3
476.71118	0.3
497.20551	0.9
499.21814	0.5
505.30737	0.6
517.30212	2.9
535.31378	100.0
536.31659	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.314
Annotation	Glidobactin D
Peak:m/z	Relative Intensity
55.01775	0.6
57.03331	0.6
58.00480	0.5
59.01265	9.2
61.98723	1.0
64.94756	0.2
69.51134	1.2
69.51550	0.4
71.01271	7.0
72.01597	0.2
72.99198	0.5
73.02828	1.2
78.95795	2.5
79.95626	0.7
83.01270	1.1
85.02841	2.5
87.00750	0.9
89.02338	4.1
95.01291	0.6
96.95918	23.4
96.96842	5.4
97.02853	0.3
97.06500	0.2
98.02395	0.4
99.00784	0.6
101.02359	5.3
111.00790	0.2
113.02360	2.4
116.49500	0.2
117.03410	0.4
119.03419	1.0
119.04993	0.2
123.00805	0.2
123.04424	0.3
123.08083	0.3
125.02374	1.4
125.09647	1.1
127.11176	0.4
128.03465	0.3
137.02391	0.3
141.09148	0.4
143.03409	0.2
143.10638	0.3
145.02910	2.0
146.03104	0.2
151.03966	0.3
155.10742	0.6
161.04570	0.2
163.03967	0.3
166.21669	0.2
166.99763	0.2
167.10692	0.4
169.01341	1.1
171.10242	3.9
172.10573	0.3
175.03946	0.2
190.99736	0.2
192.00531	0.4
200.10568	0.2
207.02931	0.4
211.02507	0.3
217.14520	0.2
229.14323	0.2
249.05458	0.2
249.60526	0.2
257.17606	0.3
271.04611	0.6
289.07260	0.3
327.21915	0.5
355.24969	3.8
371.24432	0.3
373.13077	0.4
373.26019	13.6
374.26318	1.4
392.20685	0.4
415.70984	0.2
517.30396	1.8
518.31042	0.3
533.29327	0.2
535.31384	100.0
536.31763	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	535.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
61.98718	34.4
71.58678	13.9
71.59049	10.0
78.95795	10.1
79.62833	7.6
96.95916	9.5
127.19919	7.5
318.77484	10.0
429.25595	9.2
535.32867	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	535.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27580	1.3
55.01760	1.7
57.03301	2.1
59.01266	66.9
61.98722	24.0
66.24917	1.5
67.58286	1.4
69.03333	1.5
71.01272	26.4
71.61208	2.0
72.99191	3.3
73.02834	7.3
75.00767	1.9
78.95799	6.3
83.01277	5.9
83.04911	2.9
85.02840	12.0
87.00761	4.1
89.02342	15.6
93.03356	4.1
95.01270	4.2
96.95910	3.6
96.96896	1.5
97.02861	2.1
99.00783	5.4
101.02343	19.7
101.18272	1.5
107.01330	2.4
109.02827	1.9
111.00809	2.9
113.02354	11.7
119.03400	5.9
121.02873	10.2
123.00808	12.3
123.04446	1.7
124.75316	1.4
125.02387	17.8
130.56172	1.2
131.47615	1.8
132.61046	1.4
137.02361	2.7
139.00294	2.5
140.01079	3.6
141.01839	1.8
145.02882	2.9
148.05237	21.0
151.00276	6.2
152.99475	3.9
161.02449	1.9
161.04504	6.4
163.03893	1.6
163.07602	15.2
165.01898	2.6
165.05518	1.6
168.00537	5.3
169.01385	18.3
171.10243	6.5
179.05528	4.3
193.08524	1.8
199.11308	1.8
209.11795	3.9
211.02429	4.8
239.97566	1.5
244.39977	1.6
255.13950	5.1
271.04672	7.0
279.49112	1.5
283.17105	69.2
284.17410	7.2
289.07318	2.0
295.17203	1.9
313.06018	2.0
313.18167	58.8
314.18622	7.5
315.05170	4.1
316.18185	1.6
331.06699	3.2
363.12628	1.9
373.25659	1.9
413.14673	5.7
439.23721	1.5
475.23489	100.0
476.23883	15.3
515.88666	1.6
535.17841	44.8
535.31940	8.9
536.18579	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	535.1837
Annotation	Phellavin
Peak:m/z	Relative Intensity
50.13610	0.6
50.33837	0.6
53.22596	0.6
57.03351	1.3
59.01263	6.6
60.99189	0.7
61.98721	1.4
65.00223	1.0
67.01770	1.9
68.99722	0.9
69.03363	0.9
71.01265	9.3
71.59880	1.0
72.99209	0.9
73.02849	2.2
79.01805	1.7
81.03367	0.7
83.01285	1.9
85.02874	3.4
87.00773	2.1
88.98711	0.7
89.02357	2.4
93.03371	0.6
95.00337	0.6
95.01317	3.2
97.02842	2.1
99.00784	1.6
101.02339	4.0
107.01297	13.4
109.02883	1.6
109.99995	0.8
111.00794	6.6
113.02364	2.5
119.03414	1.2
123.00805	13.1
123.04466	1.1
124.01582	2.8
125.02374	78.7
126.02731	3.0
127.00307	2.2
136.98741	3.4
137.02380	2.1
139.00307	8.9
139.03918	3.8
140.01109	11.0
141.01840	2.1
143.03360	0.8
145.02936	1.0
147.72011	0.6
149.02402	1.0
151.00299	9.8
151.03960	1.7
153.01929	0.8
154.99786	0.7
161.02373	1.2
161.04552	0.9
161.09634	0.9
163.00403	0.9
163.03996	0.8
163.06142	0.7
163.07567	1.3
165.01846	1.0
166.02705	0.8
166.05057	5.1
166.99866	1.7
167.05383	2.7
167.99173	1.0
168.00597	18.9
169.01389	98.4
170.01762	3.6
173.09674	1.0
177.01973	0.8
179.03484	1.1
179.10722	3.8
181.01422	1.4
181.05074	0.9
183.02975	3.9
187.07632	0.8
193.01343	0.7
195.02945	0.7
202.10008	1.5
203.10764	18.0
204.11023	1.5
205.08588	0.7
206.09384	2.1
211.02512	6.9
215.10701	0.8
220.11057	4.7
221.11836	6.2
227.03627	0.9
229.01297	0.8
241.03566	4.0
271.04639	9.8
289.07104	0.9
297.06195	7.5
299.82587	0.6
300.99896	2.9
313.05722	17.5
314.06079	1.9
331.06854	1.2
365.16211	8.8
373.13046	1.5
411.04889	0.7
471.87457	0.7
490.56793	0.6
517.17273	100.0
518.17633	14.9
535.18341	76.7
536.18756	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	535.1835
Annotation	Phellavin
Peak:m/z	Relative Intensity
51.35142	0.5
55.01781	0.5
57.03331	1.6
58.33480	0.5
59.01266	4.6
65.00214	1.3
67.01782	1.3
68.99689	0.6
69.03350	1.4
70.26596	2.3
71.01271	7.4
72.99200	1.9
73.02840	1.6
75.00767	0.5
78.95770	0.7
79.01797	1.1
80.01056	0.4
81.03357	0.8
83.01286	1.9
83.04910	0.7
85.02869	2.9
87.00781	1.4
89.02345	2.3
93.03381	0.7
95.01276	2.8
95.05001	0.6
95.63467	0.5
96.95930	4.0
97.02865	1.7
97.95851	0.6
98.95493	4.8
98.96350	0.6
99.00824	1.2
101.02341	3.5
102.01902	0.8
107.01299	11.6
109.02866	1.5
109.99983	0.8
111.00793	6.1
113.02357	2.6
119.03451	0.5
121.02898	0.9
123.00798	13.0
123.04460	0.7
124.01656	2.8
125.02368	78.2
126.02741	2.0
127.00297	2.5
135.04454	0.6
136.98763	4.0
137.02361	1.9
138.03203	0.6
139.00304	8.6
140.01097	9.3
141.01857	2.2
145.02893	1.2
149.02368	0.9
149.05981	0.6
151.00331	10.4
151.03951	1.2
151.11218	0.5
153.01820	0.8
154.99825	0.7
161.05910	0.6
161.09706	0.8
163.00404	0.6
163.07549	0.8
165.01865	0.7
165.05602	0.9
165.10527	0.5
166.05006	0.9
166.99895	2.7
167.03494	1.1
168.00604	20.2
169.01382	100.0
170.01695	4.4
173.09706	0.6
175.11330	0.6
177.03963	0.9
179.03462	0.9
179.10765	3.5
181.01384	1.3
182.01939	0.5
184.66238	0.5
187.07570	0.9
193.01355	0.6
193.12392	0.7
201.08957	0.5
202.10042	1.4
203.10776	17.9
204.11150	1.2
205.08717	1.2
206.09457	2.1
211.02492	10.4
215.10733	0.6
217.12325	1.2
220.11053	6.9
221.11835	5.9
223.02361	0.8
241.03497	3.0
253.03609	0.8
270.03882	0.9
271.04477	9.0
272.09036	0.7
279.23492	0.5
289.07361	1.1
297.06201	6.7
313.05713	17.1
314.06091	1.7
331.06570	1.0
332.62390	0.5
340.09439	0.6
355.11945	2.1
365.16138	9.0
366.16327	0.6
373.12671	1.0
409.54813	0.5
491.11160	0.7
517.17273	93.7
518.17603	13.4
520.15570	0.6
535.18359	81.5
536.18689	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	535.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48843	0.5
55.01756	0.9
57.03334	1.4
59.01266	12.0
59.98292	0.5
61.98728	1.9
65.00214	0.8
67.01792	1.7
68.99726	0.6
69.03366	0.9
70.95361	1.1
70.95698	0.8
71.01272	12.8
72.99207	2.1
73.02827	3.5
75.00797	0.7
79.01800	1.3
83.01283	3.4
85.02850	5.3
87.00771	2.3
89.02333	6.3
89.52255	0.4
94.95351	0.4
95.01269	3.4
96.95908	5.6
96.96899	0.5
97.02847	1.3
99.00782	5.6
101.02362	8.1
102.05503	0.6
107.01282	4.6
107.49439	0.5
109.02918	1.8
111.00796	7.5
113.02361	4.0
119.03385	2.3
121.02905	0.7
123.00798	12.0
123.01662	0.7
123.04420	0.8
124.01618	1.9
125.02369	32.1
126.02735	1.1
127.00321	2.4
128.03503	0.6
135.04436	0.6
136.61128	0.5
136.98747	2.9
137.02393	2.8
138.03177	0.5
139.00317	8.5
139.03928	1.0
140.01106	7.1
141.01872	1.7
143.03473	0.5
145.02887	0.6
149.02356	0.7
150.03140	0.5
151.00320	7.7
151.03951	1.3
151.07529	0.7
153.01875	1.2
154.99811	1.2
160.01608	0.7
161.02417	1.0
161.04477	1.0
161.09663	0.9
163.00302	5.7
163.03941	0.8
163.07684	0.7
164.00972	0.8
165.01875	2.4
166.99854	1.8
167.03448	1.3
168.00603	14.4
168.01973	1.0
169.01379	48.7
170.01788	1.5
175.02443	0.8
175.03937	1.0
177.01897	1.0
177.04086	0.6
178.99792	0.6
179.03442	0.8
179.05531	0.8
179.10777	1.9
181.01404	3.7
182.99391	0.4
189.01984	0.5
190.06334	0.5
190.99884	1.3
193.01375	0.6
193.12369	1.1
201.01895	0.7
203.10757	4.8
205.08733	1.6
206.09543	1.2
206.99397	0.8
208.00140	1.3
209.00975	2.2
210.01689	0.6
211.02480	21.8
212.02867	1.0
221.11839	3.3
229.01373	0.6
241.03662	1.9
244.17497	0.5
270.03900	5.5
271.04639	16.1
272.05038	1.0
275.02069	0.6
289.07263	0.8
297.06256	3.8
300.99890	2.3
313.05795	8.1
331.06790	0.9
343.24887	0.6
354.54858	1.0
355.05130	0.8
355.24579	0.5
365.16086	0.9
373.22287	1.2
373.26144	4.3
409.54919	1.0
410.05228	0.5
410.56003	0.6
412.57507	0.6
415.54901	1.8
416.05432	0.7
417.56119	0.6
473.20514	0.9
499.18579	3.7
517.17365	5.4
518.17395	0.9
535.18530	100.0
535.27521	13.2
536.18823	16.9
536.27972	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	2.5
59.01257	1.8
61.20938	1.0
64.57449	0.9
67.01771	1.9
69.03342	1.3
69.65896	4.8
69.66326	3.3
71.01272	3.1
85.02865	11.2
87.00778	8.7
93.03361	9.1
96.96857	1.2
97.02872	1.3
99.00713	1.0
107.01297	6.2
111.00811	7.3
111.04420	4.3
111.76895	1.1
114.24918	1.1
124.40418	1.0
125.02375	37.6
126.02731	1.3
127.03964	1.9
129.01855	2.1
137.02385	3.0
147.02980	1.3
155.03448	2.6
169.01385	100.0
170.01724	4.3
173.04510	21.7
174.04832	1.7
191.01982	9.1
191.05589	89.6
192.05946	18.7
193.06027	18.7
343.06775	84.8
344.07092	8.0
359.31369	1.1
372.10074	2.4
399.91235	1.2
420.95282	1.2
444.58612	1.1
477.26999	1.1
536.14941	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	535.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01788	0.2
57.03342	0.3
59.01271	3.0
61.98711	1.5
65.03859	0.5
67.01791	0.5
71.01277	1.9
72.99219	0.4
73.02856	0.5
75.00773	0.8
78.16263	0.2
83.01270	0.3
83.04926	0.6
85.02880	1.0
87.05438	0.2
89.02342	0.7
93.03364	39.2
94.03714	1.2
95.01283	0.5
96.95912	0.3
97.02855	0.4
99.00809	0.4
101.02366	1.4
107.01291	1.1
109.02855	0.5
111.00798	0.8
113.02364	0.8
119.03500	0.3
121.02858	0.5
123.00804	4.1
123.04437	0.2
124.01608	0.4
125.02377	6.1
137.02380	100.0
138.02705	3.9
139.00327	1.4
140.01064	1.1
141.01848	0.9
145.02927	0.3
147.04477	0.3
151.00305	2.6
151.03932	0.3
153.01898	0.2
161.02448	0.2
163.07550	0.2
166.99823	0.3
168.00586	1.2
169.01392	7.1
170.01660	0.2
177.04016	0.4
189.05557	0.4
191.07161	0.5
211.02473	0.5
229.73581	0.2
235.06090	0.6
245.08170	0.3
264.63370	0.2
268.62469	0.2
271.04520	0.4
277.07312	0.7
297.06415	0.2
300.99869	0.3
308.30161	0.2
313.05737	0.8
313.23926	0.2
337.09363	1.3
343.04773	0.3
349.55515	0.2
355.24689	0.3
359.27878	0.5
373.25925	0.5
397.11536	6.1
398.11740	0.9
415.12573	6.7
416.13004	0.7
535.14569	9.9
535.21301	0.5
535.31354	2.9
536.14746	1.5
536.31525	0.3
550.07788	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.9
57.03303	0.7
59.01263	20.5
59.01536	0.9
59.21689	0.4
59.78824	0.4
61.98680	1.1
69.65767	0.8
69.66177	2.3
71.01270	7.4
72.99178	0.5
73.02791	1.6
78.95743	0.5
83.01232	1.1
85.02839	3.8
87.00743	1.0
89.02338	5.3
95.01257	0.7
96.95902	2.5
99.00767	0.5
101.02351	6.8
108.89143	0.4
113.02356	3.6
119.03373	1.3
121.02834	0.7
125.02316	1.1
130.00488	0.4
145.02855	0.7
161.04564	2.2
165.05388	0.5
169.01308	0.7
179.05508	1.2
185.11823	0.4
254.99245	0.7
257.00848	1.0
269.98123	6.9
270.98495	0.5
285.00473	8.9
297.00586	0.7
297.97604	33.8
298.98010	2.6
299.01669	0.8
312.99954	55.3
314.00302	5.3
327.01315	0.8
328.02295	66.6
329.02710	6.0
343.04642	100.0
344.04968	9.7
373.22034	4.4
373.26117	1.7
517.30365	0.5
534.30139	2.0
535.28638	11.2
536.27991	1.2
554.30981	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98978	0.4
59.01265	30.5
60.01598	1.6
61.01694	0.9
61.98718	100.0
65.98105	0.3
68.55046	0.3
71.61776	0.4
110.64753	0.4
172.90355	0.3
237.51657	0.3
441.18283	0.3
473.35645	0.6
474.35995	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	534.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04865	0.3
59.01271	0.6
61.98717	100.0
71.97531	0.3
166.98145	0.4
183.31645	0.3
356.42804	0.3
357.31274	0.3
507.95584	0.3
550.44379	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3861
Annotation	3-Acetyl-24-epi-polacandrin
Peak:m/z	Relative Intensity
59.01266	100.0
60.01603	0.9
61.98726	1.8
71.04926	0.5
87.04433	2.5
157.28477	0.4
206.88490	0.4
355.26547	1.6
385.31097	1.2
389.32535	0.4
407.33365	0.8
425.34229	0.9
443.35333	1.2
473.36569	10.8
473.42938	0.8
474.36923	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	533.3861
Annotation	Concentricol D
Peak:m/z	Relative Intensity
50.23827	0.2
53.61086	0.2
58.34704	0.2
59.01267	100.0
60.01606	1.0
61.98728	1.0
63.18315	0.3
65.34660	0.3
71.07740	0.5
71.08087	0.4
78.96294	0.2
182.92180	0.2
183.69864	0.3
197.19699	0.3
269.57538	0.3
311.67767	0.3
473.36349	1.3
517.35876	0.4
533.38660	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14137	0.4
55.01780	1.1
57.03345	1.4
59.01267	55.0
60.01590	0.6
61.98720	11.1
64.51315	0.4
65.98480	0.4
69.03358	0.5
69.35371	0.4
71.01273	16.5
71.61637	0.7
72.99212	1.2
73.02837	5.2
75.00751	0.8
77.22305	0.5
83.01279	3.0
85.02847	9.1
87.00783	1.0
89.02335	4.2
90.28133	0.4
93.87474	0.4
94.70573	0.4
95.01310	1.4
96.95925	0.5
99.00779	1.9
101.02351	11.5
101.80020	0.4
111.00738	0.5
113.02362	6.7
117.51449	0.4
119.03464	1.2
125.02393	1.0
127.11239	0.8
131.53906	0.4
150.11911	0.4
159.02916	0.9
161.04489	2.6
167.23413	0.4
199.39709	0.5
229.14307	0.5
249.12366	0.4
265.25452	2.1
267.23373	3.0
309.24472	1.0
435.22482	0.5
473.31277	1.8
515.32477	2.7
533.33466	100.0
534.33807	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	533.386
Annotation	3-Acetyl-24-epi-polacandrin
Peak:m/z	Relative Intensity
59.01266	100.0
60.01610	1.2
61.98717	1.5
69.27687	2.0
69.28098	0.5
78.95818	0.7
98.19839	0.7
98.20502	0.6
128.16928	0.2
139.80328	0.3
152.99559	1.0
196.89575	0.6
255.23325	0.3
312.18539	0.3
473.36514	13.9
474.36792	2.0
512.71155	0.3
533.39154	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.386
Annotation	3-Acetyl-24-epi-polacandrin
Peak:m/z	Relative Intensity
59.01266	100.0
60.01607	1.3
61.98721	0.4
70.72536	0.1
70.72887	0.3
71.04939	0.1
78.95794	0.6
152.99503	1.1
186.84265	0.1
204.68411	0.1
276.81213	0.1
278.21707	0.1
354.79959	0.1
455.35260	0.4
473.36557	2.3
474.36700	0.4
533.30841	0.1
533.38684	0.9
534.39044	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	533.3344
Annotation	Cepafungin I
Peak:m/z	Relative Intensity
55.01774	1.3
57.03337	0.8
58.00483	0.8
59.01268	53.4
61.98718	13.9
71.01273	18.7
71.01667	0.9
71.60354	0.6
72.01578	0.5
72.99192	1.3
73.02846	6.0
74.98304	0.4
75.00783	0.7
78.95795	0.7
83.01273	3.1
84.21416	0.4
85.02848	9.1
87.00777	1.3
89.02334	3.7
95.01281	1.4
96.95938	0.8
97.02880	0.6
99.00774	2.4
101.02352	13.8
103.18945	0.5
103.55318	0.5
113.02363	6.8
113.59995	0.5
114.29046	0.5
119.03433	1.1
121.41199	0.5
125.02368	1.7
127.11227	0.8
129.01888	0.6
159.02959	0.8
161.04498	3.1
161.05644	0.5
169.01399	0.7
217.00632	0.5
246.00552	0.5
265.22714	0.5
265.25467	2.2
267.23349	4.4
289.07101	0.6
296.07129	0.5
311.22171	0.7
327.25436	0.7
473.31735	2.4
474.31927	0.6
501.31082	0.7
515.32269	4.2
516.32916	0.8
533.33447	100.0
534.33850	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3346
Annotation	Cepafungin I
Peak:m/z	Relative Intensity
53.61864	0.4
54.83200	0.4
55.01764	1.2
57.03346	1.4
58.00488	0.5
59.01266	53.9
61.98719	4.8
67.78696	0.3
69.41732	2.6
69.42150	1.1
69.65569	0.4
71.01270	15.1
72.99206	1.2
73.02840	5.5
75.00793	0.7
78.90392	0.4
83.01271	3.0
83.04901	0.4
85.02847	8.3
86.23981	0.3
87.00780	1.0
89.01807	0.6
89.02331	3.9
95.01312	1.4
98.19822	0.7
99.00779	2.0
101.02347	12.1
113.02359	6.7
119.03438	1.2
125.02378	0.7
129.01865	0.4
141.12794	0.6
142.83728	0.4
143.03479	0.4
157.71425	0.4
159.02919	0.6
161.04546	1.9
169.01343	0.6
217.00273	0.4
265.25314	2.0
267.23370	6.0
273.18500	0.4
309.24432	0.9
371.18539	0.4
473.31769	2.1
487.30658	0.4
515.32507	4.2
533.33411	100.0
534.33795	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	533.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01785	0.9
57.03344	2.0
58.00496	1.1
59.01267	19.9
61.98719	4.7
69.03361	1.1
70.83720	0.4
71.01273	17.1
71.01662	0.9
71.04893	0.6
71.59726	0.5
72.01628	0.8
72.99212	1.7
73.02835	4.5
76.42471	0.4
78.95808	1.3
83.01281	2.7
85.02847	7.1
87.00789	1.2
87.04427	0.6
88.98740	0.5
89.02346	8.6
93.03385	0.5
95.01308	1.5
96.95920	6.2
96.96899	1.1
97.02932	0.6
97.06488	0.6
99.00822	1.4
101.02346	12.3
103.03942	0.5
109.02932	0.7
111.00795	0.5
113.02361	5.6
117.03388	8.0
117.04161	0.5
118.03720	0.5
119.03476	2.4
119.04942	5.6
123.00826	0.9
123.08115	0.9
125.02374	4.2
125.09609	2.0
131.03473	0.5
133.02971	0.6
137.02438	1.1
137.09703	1.1
139.00423	0.6
139.11301	1.4
141.09163	0.5
143.03488	0.5
145.02898	36.5
146.03287	1.9
151.03998	0.9
153.09227	0.6
155.10759	0.8
159.03003	0.5
161.02495	0.7
161.04504	3.4
163.03961	6.0
163.06169	1.7
163.11203	0.5
165.05595	1.1
166.99834	0.5
168.00671	0.6
169.01393	4.2
171.10246	4.4
174.34592	0.4
176.01219	0.4
179.03491	0.5
179.05583	0.9
179.10826	1.7
185.11803	5.0
185.13193	0.5
191.05682	0.4
193.04994	0.5
205.05241	0.7
213.11407	1.1
214.12219	1.2
215.12900	0.8
215.16231	0.4
225.15059	1.5
243.16118	0.9
259.02280	0.4
289.07388	0.9
301.00140	0.8
307.08307	2.9
323.22556	0.5
324.81018	0.4
337.24222	0.7
337.61835	0.5
341.23444	6.7
341.27292	0.4
342.23877	0.5
353.23419	5.0
353.26843	0.5
355.24957	6.0
355.28604	0.4
356.25717	0.5
371.20566	1.0
371.24527	15.0
371.28961	0.8
372.24792	2.3
503.29279	1.2
515.29260	1.0
533.30255	100.0
534.30579	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	533.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39378	0.5
55.01760	0.8
57.03336	3.2
58.00488	1.4
59.01267	22.5
61.67795	0.6
61.98720	7.6
69.03352	0.7
71.01272	17.6
71.61733	1.0
72.99203	1.3
73.02847	4.8
75.00753	1.4
78.95803	1.3
81.98741	0.6
81.99454	0.5
83.01285	2.3
85.02849	6.4
86.69468	0.7
87.00789	2.1
87.04397	0.8
87.08704	0.6
88.98701	0.8
89.02337	8.7
93.03388	0.8
95.01288	2.0
96.95914	7.0
96.96880	1.8
97.02847	0.7
97.06498	0.9
99.00777	1.6
99.04414	0.8
101.02349	12.3
107.01279	1.4
109.02793	0.6
109.06532	0.6
111.00835	0.6
113.02353	4.8
116.92734	0.7
117.03378	15.6
118.86021	0.6
119.03487	2.9
119.04943	7.7
123.00820	1.8
123.04456	1.6
123.08061	0.8
124.01580	0.8
125.02382	6.3
125.09653	1.3
136.08832	0.7
137.02370	1.8
137.09703	1.0
139.11217	1.0
143.03482	0.8
145.02895	59.4
146.03207	3.8
150.03229	1.1
151.03957	0.8
152.04276	0.7
155.10690	1.0
159.02995	0.7
161.02419	1.3
161.04523	2.9
161.05905	1.1
163.00352	1.1
163.03958	10.7
163.06055	1.2
163.11324	0.7
165.01855	0.5
165.05557	1.6
166.99802	0.6
168.00627	1.0
169.01357	5.5
171.10219	2.5
175.04005	1.6
176.01097	1.3
179.05513	0.6
179.10710	1.0
185.11803	5.5
191.03557	1.0
195.13896	1.3
197.15471	0.8
207.13918	0.9
212.08632	0.6
214.12112	1.9
215.12814	1.2
225.14977	3.3
230.61700	0.6
243.16107	1.1
289.07269	1.9
300.99976	1.1
307.08313	5.6
311.22379	0.8
329.08041	0.7
341.23383	5.9
353.23438	5.5
355.25015	5.3
357.77225	0.6
371.15210	0.7
371.20068	1.4
371.24475	19.8
372.24884	1.7
473.27899	1.0
497.21045	0.8
503.28775	1.6
515.28394	1.1
533.23859	19.8
533.29846	100.0
534.24176	4.1
534.30951	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	533.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35328	0.2
59.01257	0.8
64.65920	0.2
67.01776	0.4
68.22187	0.2
69.79999	0.9
69.80425	0.6
71.01268	0.5
73.02821	0.3
81.03318	0.3
82.92029	0.2
85.02845	7.5
85.03361	0.5
87.00778	1.9
92.79482	0.2
93.03361	3.0
99.04417	0.5
101.02341	0.3
109.02865	0.7
111.04434	0.8
127.03939	1.8
129.01799	0.3
155.03459	0.2
171.02962	0.7
173.04518	0.7
191.05588	100.0
192.05927	4.5
229.19456	0.3
230.16869	0.3
314.12750	0.2
335.97131	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.9
57.03334	4.0
58.00478	4.2
59.01266	100.0
61.19850	1.0
61.98717	11.5
63.25747	1.0
66.28737	1.0
69.03335	3.6
71.01269	57.5
71.56604	1.4
72.88210	1.0
72.99192	5.6
73.02832	25.6
75.00771	2.8
78.98470	1.1
79.94662	1.0
81.03352	3.4
83.01271	9.1
83.04925	1.3
85.02845	26.4
86.00007	1.3
86.03204	1.1
87.00780	5.8
87.04418	2.1
89.02338	28.4
95.01304	2.9
96.95931	2.3
97.02854	3.8
97.06480	2.2
99.00800	5.1
101.02349	61.3
102.02718	1.8
102.45911	1.1
103.03909	17.7
107.01315	2.0
109.02885	2.0
109.06531	2.4
111.00776	2.0
113.02348	17.9
115.03925	3.5
117.03395	5.0
119.03413	13.3
119.04937	3.5
121.02893	1.8
123.00819	6.0
123.04434	1.4
125.02377	31.2
126.02733	1.4
127.03904	1.5
131.03436	6.3
135.04468	1.3
136.01601	1.5
137.02374	2.1
139.00272	2.5
139.11288	1.3
143.03433	7.5
145.02890	20.7
145.04924	5.5
146.03255	1.3
149.04454	1.0
150.03194	1.2
151.00325	3.9
151.03961	2.3
159.02902	1.2
161.02432	2.6
161.04510	12.2
163.04057	5.1
163.06070	54.5
165.01819	1.6
165.12804	23.4
165.14111	2.1
166.13191	1.9
167.03447	1.4
168.00633	2.3
169.01384	15.1
175.03989	1.2
177.04013	1.3
179.05609	2.1
185.11821	1.5
190.31065	1.2
190.83707	1.1
205.07190	10.4
208.99486	5.1
247.08260	3.7
265.09314	3.7
289.07123	1.2
300.99973	2.2
307.10550	12.8
313.05881	1.7
327.18115	10.5
348.07098	1.1
353.23419	1.7
359.28174	7.4
371.09940	2.9
371.24341	5.5
430.44827	1.1
473.24005	91.2
474.24188	12.5
478.55420	1.2
497.20395	23.5
498.20682	3.9
521.32843	1.0
533.15607	2.2
533.23535	8.9
533.30249	34.0
534.23627	2.1
534.30713	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	533.0952
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
59.01271	2.6
68.43758	0.5
73.02814	0.6
78.95790	1.7
83.01265	0.8
83.61713	0.5
85.02842	0.6
89.02338	0.9
93.03360	1.5
95.01281	0.8
96.85645	0.5
96.95915	33.2
96.96884	1.9
101.02315	0.6
107.01283	3.4
109.02858	1.0
111.00748	0.7
113.02386	0.8
117.03378	0.7
119.67802	0.6
121.02874	1.1
123.00799	2.0
123.76857	0.5
125.02357	4.3
132.02074	1.2
134.46542	0.5
135.00830	2.0
137.02400	0.7
139.00316	1.6
151.00304	2.2
153.01929	0.8
159.04506	0.8
163.00345	3.3
166.99825	0.5
168.00546	1.5
169.01364	4.9
169.06541	0.8
171.04427	0.8
183.04495	0.7
185.06091	1.6
187.03944	2.0
189.01907	0.8
189.05443	1.2
190.99721	0.6
193.01530	0.5
197.06046	1.3
199.03856	1.0
199.15704	0.5
211.04129	2.7
212.04750	0.6
213.05539	0.9
225.05562	1.3
227.03503	27.2
228.03929	2.5
229.05064	10.0
230.05032	0.6
239.03510	2.3
240.04201	0.7
241.05037	1.5
255.03033	54.9
256.03519	7.0
257.04602	5.1
267.03049	1.1
271.04663	0.7
275.02344	0.7
283.02634	1.0
284.03329	77.2
285.04095	100.0
286.04422	8.2
300.99796	1.2
341.06784	1.2
383.36514	0.6
455.15643	0.8
489.10486	53.5
490.10855	9.0
518.80334	0.7
533.17114	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13688	0.1
57.03329	0.2
59.01265	1.9
61.98719	0.7
71.01266	0.9
71.01598	0.1
71.60136	0.2
72.99191	0.3
73.02834	0.6
75.00824	0.1
78.95798	6.2
79.95629	2.5
83.01285	0.4
83.02405	0.2
85.02848	0.4
87.00754	0.1
89.02341	0.8
89.03796	0.1
93.03352	0.4
94.54338	0.1
95.01299	0.2
96.95916	100.0
96.96815	8.3
97.02833	0.1
97.95850	0.4
98.03433	0.1
98.95486	0.1
99.00768	0.2
101.02344	0.5
107.01283	0.3
109.02865	0.7
111.00747	0.3
113.02343	0.5
117.03385	1.0
119.04969	0.6
121.02858	0.3
123.00799	0.4
123.04474	0.5
125.02348	1.9
126.02682	0.2
135.04425	0.1
137.02365	0.3
138.06790	0.1
139.00317	0.1
140.01053	0.1
143.03456	0.2
145.02884	4.1
146.03259	0.4
147.04480	0.2
149.02412	0.2
151.03963	0.4
153.09149	0.2
161.04510	0.2
163.03922	0.9
165.01926	0.2
165.05525	2.2
168.00629	0.3
169.01384	1.6
170.01813	0.2
170.53662	0.1
177.01894	0.8
179.05588	0.1
185.11754	0.3
187.03987	0.2
189.01891	1.4
190.02690	0.4
191.03474	0.3
191.05464	0.1
203.03401	0.2
205.05115	0.2
205.12178	0.2
216.00677	0.3
217.01413	1.3
218.02052	0.2
219.03043	0.6
231.02982	0.5
245.08076	0.2
266.07605	0.1
271.06189	0.3
275.02139	0.1
283.06223	0.2
289.07254	1.9
290.07526	0.2
301.00064	0.8
302.00247	0.2
323.22485	0.3
339.01932	0.2
341.06717	3.1
342.07129	0.4
353.23428	2.0
356.12708	0.4
371.15082	0.4
371.24481	0.7
397.02139	0.1
435.10883	3.3
436.11227	0.6
452.03204	0.1
473.05692	0.3
491.06812	0.2
495.12701	0.2
515.29242	0.2
532.23267	0.2
533.07898	0.2
533.23236	2.0
533.30206	1.2
534.24176	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3703
Annotation	Oogoniol 2
Peak:m/z	Relative Intensity
53.82990	0.2
58.41945	0.2
59.01265	100.0
60.01603	1.1
61.98750	0.2
62.45184	0.2
68.00288	0.3
69.51600	1.8
105.16413	0.2
232.38300	0.2
244.84306	0.2
372.18326	0.2
405.31586	1.3
406.31937	0.3
423.32816	7.6
424.33014	1.7
441.33881	1.6
471.35046	0.8
531.37103	5.0
532.37256	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26687	0.1
55.43799	0.2
59.01266	100.0
60.01604	1.1
70.60811	0.1
71.48842	0.2
72.63719	0.2
77.19511	0.2
78.95786	1.2
94.60976	0.1
96.96880	0.5
131.27368	0.1
172.11894	0.1
498.22983	0.1
498.50491	0.2
531.27795	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29747	0.4
59.01267	100.0
60.01596	1.0
61.98697	1.0
62.67915	0.4
71.20678	0.9
75.94057	0.4
76.45456	0.4
83.04932	1.4
109.06518	0.8
233.19162	1.5
261.80475	0.4
299.23770	2.1
417.87061	0.4
453.33838	25.6
454.34106	3.8
471.35135	2.2
472.35428	0.8
497.32904	5.2
498.33359	1.1
531.31732	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3703
Annotation	Alisol E 23-acetate
Peak:m/z	Relative Intensity
59.01265	100.0
60.01611	1.2
61.98720	0.6
71.04921	0.3
78.60422	0.3
97.06509	0.4
109.06506	0.3
165.55386	0.2
169.84142	0.2
176.71404	0.2
214.01364	0.2
233.19228	0.2
284.72101	0.2
323.23972	0.3
333.21939	0.2
337.25342	1.1
357.24585	0.2
361.25961	0.3
379.26736	0.8
391.30142	0.4
394.28784	0.9
409.31207	9.4
410.31360	1.4
417.31912	0.8
435.32800	1.2
436.33481	0.3
453.33682	0.3
471.34900	35.9
472.35217	6.8
531.37134	1.3
532.37335	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44096	0.4
59.01265	100.0
60.01615	1.1
61.98731	0.6
70.83957	1.0
73.90391	0.4
76.83951	0.4
77.78760	0.4
97.08893	0.4
159.91115	0.5
294.17288	0.4
329.26453	0.4
399.32986	0.5
431.53784	0.4
453.34167	1.2
471.35089	1.1
512.85571	0.4
531.36462	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3704
Annotation	Rubianol d
Peak:m/z	Relative Intensity
50.41806	0.1
51.68575	0.1
59.01266	100.0
60.01595	1.2
61.98725	0.5
66.60514	0.2
71.41187	0.3
89.12079	0.1
101.36261	0.1
108.10858	0.2
171.40198	0.2
193.49377	0.2
395.29919	0.2
453.33875	0.5
471.35071	0.8
531.37189	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14793	0.4
57.83803	0.3
59.01268	100.0
60.01602	1.0
61.98727	1.3
78.95802	1.2
89.06103	0.4
96.95959	0.4
98.95515	0.4
121.02895	1.2
147.04501	1.4
159.55933	0.4
196.89497	1.8
217.00201	0.4
243.54308	0.3
250.61868	0.3
357.85559	0.3
423.32733	1.0
531.36981	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57378	0.2
57.03340	0.5
58.00491	0.3
61.98714	0.6
69.40925	1.5
69.41330	0.5
71.01272	5.4
72.99202	0.3
73.02848	1.0
75.00759	0.4
81.06879	0.2
83.01277	0.8
83.04921	0.2
85.02837	1.7
85.39323	0.2
87.00769	0.3
89.02341	2.4
93.03363	0.4
94.98015	0.3
95.01289	0.5
96.95918	0.7
98.20551	0.4
99.00777	0.5
99.04420	0.4
101.02349	3.0
109.02896	0.3
111.00816	0.3
113.02364	1.9
114.94808	0.2
117.03383	27.4
118.03688	1.4
119.03457	1.1
119.04946	15.2
120.05307	0.7
121.02875	0.9
123.00825	0.5
123.04465	0.5
123.08094	0.3
125.02356	1.3
125.05959	0.2
126.37444	0.2
131.03467	0.3
133.02849	0.2
133.06520	1.0
134.03636	0.4
136.05226	0.6
137.02422	0.2
138.06796	0.9
139.00352	0.2
143.03410	0.4
145.02893	100.0
146.03232	4.5
151.07549	0.4
152.08366	1.1
153.09152	1.4
159.02971	0.2
161.02405	0.2
161.04498	1.0
161.06030	2.8
161.09666	0.3
162.03143	0.5
163.03961	24.4
163.11223	0.6
164.04305	0.9
168.00552	0.3
169.01442	1.2
175.04027	0.2
177.05519	0.8
179.05515	0.7
198.41203	0.2
205.05032	3.0
205.12352	2.5
223.13374	0.4
235.06215	0.4
253.05154	0.5
262.82285	0.2
265.07220	0.8
300.99802	0.3
307.08243	1.1
363.96765	0.2
369.19217	1.0
480.37271	0.3
531.22498	76.0
532.22845	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	531.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29090	0.4
52.44670	0.5
56.19776	0.6
57.03326	1.3
59.01261	2.1
60.98891	0.9
60.99191	16.7
66.00866	2.9
67.01183	0.5
67.01758	0.7
69.03323	1.2
71.01270	1.1
71.59692	0.7
72.99192	1.3
83.01282	1.8
86.60492	0.7
88.98696	100.0
89.02307	0.8
93.03351	0.9
95.01287	1.4
95.04937	0.8
97.02850	1.6
101.02338	1.0
104.88419	0.5
107.01279	0.9
109.02880	5.9
111.00784	2.0
121.02875	0.8
123.00802	2.4
123.04431	2.8
125.02364	45.5
126.02721	1.7
137.02376	6.7
139.00291	1.6
139.03842	0.9
140.01085	0.8
145.02885	2.1
149.02415	2.0
151.00230	0.9
151.03920	3.5
159.04433	1.2
161.02353	1.6
161.06009	2.4
163.00365	0.8
164.01074	1.0
165.01805	1.6
166.99771	1.9
167.03343	0.5
168.00549	1.5
169.01375	92.3
170.01660	3.7
175.03891	0.9
175.07700	0.7
179.03506	2.5
187.03928	1.6
188.04782	0.9
193.01385	3.6
201.05675	0.6
203.07031	3.0
205.05006	2.9
207.86545	0.6
221.08167	0.7
245.08186	7.1
253.05190	0.9
259.06161	0.9
271.06268	4.9
275.01770	0.8
289.07227	32.4
290.07571	2.3
300.99872	1.3
303.05170	1.5
331.04672	1.7
377.67801	0.6
397.09296	0.8
441.08347	47.4
442.08786	4.8
453.05072	0.6
493.13379	0.7
499.29184	0.7
524.71051	0.5
531.10187	0.8
531.17975	0.7
532.11139	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17207	1.3
52.84989	1.1
59.01266	100.0
61.98717	1.6
69.55807	3.1
69.56213	6.3
79.31198	1.2
82.31607	1.1
114.82734	1.1
147.09543	1.1
168.91632	1.2
188.92844	1.3
237.14981	1.9
277.75424	1.1
278.20279	1.1
469.33359	37.4
470.33701	7.4
519.55145	1.2
529.35400	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	530.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00979	0.7
59.01266	7.1
61.98724	0.7
71.01300	0.6
72.10519	0.4
72.85754	0.4
78.95798	17.3
82.77823	0.4
113.02344	0.6
147.73686	0.5
152.99567	3.0
168.04314	2.4
175.36649	0.5
211.57083	0.4
224.06944	8.0
229.50151	0.6
242.08037	1.8
247.05537	0.4
255.23351	100.0
256.23672	9.5
273.22357	0.4
280.23795	0.6
330.54117	0.4
453.39838	0.4
480.31082	70.3
481.31372	10.0
530.30560	2.4
531.31372	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56337	0.2
54.91345	0.3
59.01267	100.0
60.01604	0.9
76.22855	0.3
98.77561	0.3
113.85690	0.2
125.09618	0.3
164.82594	0.3
165.13759	0.3
169.01430	0.3
229.65349	0.3
270.51895	0.3
279.23581	0.3
337.99203	0.3
529.35297	0.4
542.85901	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64529	0.1
55.96749	0.1
59.01259	0.7
61.98717	0.1
69.39787	0.4
69.40218	0.6
71.01283	0.3
78.95798	1.7
79.95634	2.5
85.02864	0.1
92.23498	0.1
96.95917	100.0
96.96793	2.5
97.95829	0.3
101.02381	0.2
123.00772	0.1
125.02380	0.6
151.00340	0.2
163.00366	0.2
169.01389	0.4
227.03522	1.4
229.05121	0.4
255.03040	2.4
256.03491	0.4
257.04605	0.2
284.03348	2.7
285.04099	3.1
286.04434	0.2
431.09918	6.1
432.10220	0.5
439.86758	0.1
469.24115	0.1
512.38153	0.1
529.23291	0.4
545.56549	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.4
57.03332	0.5
57.56175	0.1
58.00497	0.3
59.01263	7.6
61.98721	1.6
69.03349	0.3
71.01271	5.4
72.99187	0.5
73.02847	1.0
83.01277	0.5
85.02848	1.6
87.00793	0.9
89.02340	5.3
91.03893	0.2
95.01313	0.4
95.04910	0.2
96.95872	0.2
97.02853	0.2
97.06504	0.1
98.19755	0.4
99.00787	0.5
101.02348	5.9
102.03198	0.2
109.02767	0.1
111.08078	0.5
113.02356	3.4
113.09654	0.3
119.03418	1.7
125.02386	0.3
143.03445	0.7
149.04449	0.3
161.04514	2.7
167.10693	0.2
177.12737	0.4
179.05579	1.2
179.14398	0.9
195.13889	8.8
196.14363	0.8
205.12300	0.9
205.16014	0.6
211.13387	0.6
223.13405	5.8
224.13829	0.7
228.13722	0.6
229.66219	0.2
231.21284	0.4
235.08286	0.4
249.22339	0.2
253.09332	32.8
254.09654	1.8
256.13260	1.1
265.21823	0.5
275.20221	5.6
276.20554	0.6
280.46780	0.2
293.21298	100.0
294.21631	11.0
304.46729	0.2
480.72629	0.2
492.22183	0.9
517.80383	0.2
529.28900	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46964	0.1
51.65199	0.1
59.01272	0.7
61.98717	100.0
62.98428	0.3
71.01273	0.3
83.01318	0.1
87.72758	0.1
88.98684	0.1
93.03352	0.1
101.02358	0.2
107.01385	0.1
107.87833	0.1
109.02897	0.3
113.02378	0.2
123.00769	0.3
123.04395	0.2
125.02351	1.1
137.02374	0.4
151.03932	0.3
159.67932	0.1
161.02417	0.2
165.01886	0.2
169.01376	0.6
173.04605	0.2
175.03967	0.1
193.04999	0.1
199.17764	0.1
215.66812	0.1
245.08238	0.2
289.07208	0.7
290.07672	0.1
301.00073	0.1
371.59750	0.1
428.25427	0.2
453.07764	0.1
494.44147	0.2
527.23474	0.2
528.15656	0.2
528.24292	0.2
529.22943	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.3
57.03318	1.0
59.01265	8.6
61.98718	2.6
62.79932	0.3
66.28334	0.3
69.03335	0.3
69.51112	2.0
71.01267	4.0
72.99191	0.4
73.02831	0.9
79.43117	0.3
81.03351	0.3
83.01241	0.6
83.23032	0.3
83.23503	0.3
85.02839	1.1
87.00771	0.6
89.02342	3.7
95.01284	0.4
95.04952	0.7
99.00807	0.3
101.02348	4.4
111.08074	9.4
112.08386	0.4
113.02357	2.0
113.09640	0.6
119.03410	1.2
122.43315	0.3
123.08052	0.4
131.03394	0.5
135.11743	0.5
137.09616	0.8
149.09659	0.6
161.04460	1.8
167.10751	2.1
177.12770	1.7
179.05617	0.3
179.10739	1.9
193.16003	0.3
195.13892	5.4
196.14174	0.3
203.14424	0.3
209.11804	0.5
235.08200	0.6
243.48914	0.3
247.20740	2.3
253.09329	16.5
254.09682	0.6
273.18781	1.2
291.19727	100.0
292.20068	11.6
527.28662	4.0
528.29047	0.9
530.19696	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44511	0.5
59.01271	5.3
60.01601	0.6
61.01691	0.8
61.98721	100.0
71.01270	1.1
71.58923	0.6
89.02352	0.5
90.03160	0.5
125.02331	0.5
169.01457	0.5
186.92436	0.5
291.19791	1.0
316.02310	1.1
402.33255	0.5
466.28244	0.6
526.31110	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	526.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	11.4
60.01601	1.1
61.01691	1.5
61.75410	0.4
61.98719	100.0
71.01271	0.8
71.16380	0.4
71.31775	0.8
83.20280	0.4
84.62194	0.4
89.02377	0.3
96.95960	0.3
101.02408	0.5
102.87517	0.3
107.89743	0.4
113.02335	0.4
125.02399	1.0
127.60797	0.3
131.59181	0.4
161.04550	0.5
169.01427	0.6
316.02454	0.7
334.50266	0.4
451.20969	0.4
463.09308	0.6
466.27939	1.2
527.26337	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2146
Annotation	Dutasteride
Peak:m/z	Relative Intensity
52.79604	0.2
55.01768	0.3
57.03325	0.6
57.80949	0.2
59.01266	5.0
60.17110	0.3
61.98716	15.7
65.00188	0.4
67.01770	0.9
68.99694	0.5
69.03336	0.7
69.78647	1.5
71.01266	4.1
71.40408	0.2
72.99207	1.3
73.02835	0.9
75.00759	0.4
79.01785	1.6
81.03345	0.3
81.93241	0.2
83.01284	1.3
85.02849	2.0
85.99980	0.3
87.00754	0.7
88.98689	0.7
89.02344	0.7
91.00262	0.4
93.03356	0.4
95.01280	2.6
96.95897	0.5
97.02843	0.9
98.20525	0.4
99.00773	0.6
101.02352	2.0
102.54533	0.2
107.00629	0.3
107.01301	4.5
109.02864	0.7
109.25242	0.2
110.00018	0.3
111.00793	2.7
113.02350	1.2
117.03358	0.3
119.03423	0.3
121.02779	0.3
123.00801	19.3
123.04419	0.6
124.01530	1.1
125.02370	19.9
126.02685	0.8
127.00301	1.0
136.98746	2.0
137.02373	1.1
139.00313	5.3
140.01100	3.8
141.01886	2.7
145.02873	0.6
149.02336	0.3
151.00319	11.8
151.03951	1.0
152.00679	0.4
153.01892	1.2
154.99828	0.5
161.02435	0.4
161.04550	0.5
163.03940	0.7
165.01909	0.3
166.99768	0.2
167.99355	0.3
168.00612	3.8
169.01385	21.0
170.01715	0.8
175.03986	0.5
177.01884	0.4
179.03398	0.4
181.05029	0.6
189.01869	0.4
191.05609	0.5
193.05035	0.3
211.02522	0.7
213.14963	0.6
217.01337	0.2
227.07166	0.2
273.00345	0.3
287.05591	0.2
289.07306	0.2
300.99799	0.2
313.05536	1.0
327.83505	0.2
341.06668	0.7
355.64395	0.2
359.92276	0.2
375.20309	3.9
376.20682	0.3
445.61438	0.3
467.12247	0.3
467.28342	0.7
483.23114	0.2
527.21405	100.0
528.21759	16.4
528.30103	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87497	1.0
64.21159	0.9
66.77606	0.9
69.36063	9.4
71.34945	0.8
96.95897	1.8
98.19796	1.4
107.01278	1.8
123.00777	1.3
124.01575	1.8
125.02362	1.6
129.40007	1.0
137.02351	3.8
151.00299	9.5
152.01067	1.6
163.00334	1.4
164.01044	2.4
166.99742	1.5
169.01457	1.5
178.99817	7.3
203.03423	2.2
214.02725	6.7
242.02248	6.1
243.02879	3.0
259.02411	5.7
270.01746	6.5
271.02539	43.7
272.02805	3.7
277.75018	0.9
287.02045	24.4
288.02582	2.4
316.02298	95.1
316.99466	1.7
317.02985	25.0
411.57156	1.0
463.08920	100.0
464.09250	12.4
521.32599	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3086
Annotation	Hythiemoside A
Peak:m/z	Relative Intensity
51.54605	0.2
55.01771	0.3
57.03342	0.4
59.01267	100.0
60.01611	0.9
61.98720	2.0
71.01278	6.0
73.02843	2.3
78.10844	0.2
83.01302	0.9
85.02850	2.6
89.02345	0.6
89.70476	0.2
95.01304	0.3
97.02821	0.2
98.20638	0.4
99.00816	0.9
101.02357	5.0
101.03000	0.3
113.02351	2.2
125.02392	0.4
143.03497	0.3
145.95837	0.2
158.37328	0.3
159.03001	0.7
161.04501	6.0
161.05826	0.3
229.70238	0.3
319.21335	1.5
336.61288	0.2
448.20050	0.2
465.28494	10.8
466.28806	1.7
509.28040	0.3
518.16772	0.2
525.30835	1.1
526.30975	0.3
546.52356	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	1.1
58.00480	3.3
59.01266	80.7
61.71706	0.7
61.98712	1.3
63.16030	0.7
69.35429	1.9
69.35835	6.5
71.01273	54.3
72.99203	2.8
73.02839	7.2
83.01297	3.6
85.02856	8.5
87.00800	3.7
89.02339	94.9
90.02697	1.5
96.68754	0.8
97.02869	0.8
98.19753	1.3
101.02348	44.9
102.02715	1.6
109.02892	0.8
113.02368	12.7
119.03424	6.6
123.00813	2.1
125.02401	3.8
125.75743	0.7
131.03435	35.4
132.03745	1.1
143.03468	2.3
149.04503	100.0
150.04843	2.4
161.04507	2.2
169.01355	3.3
191.05592	19.2
220.80865	0.8
240.04472	1.0
251.07678	1.1
261.15051	1.6
271.04468	1.0
281.08838	1.0
288.20187	0.8
293.08978	1.4
303.16138	5.2
311.10019	2.5
481.20541	1.3
525.21088	4.3
526.21063	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	2.7
57.03334	3.0
58.00482	1.2
59.01267	52.2
61.98419	2.1
61.98722	30.1
64.57500	1.0
64.69979	1.0
69.26878	0.9
71.01273	37.5
71.59254	1.6
72.99191	3.9
73.02837	18.3
75.00783	1.7
83.01289	14.4
83.04930	1.5
85.02853	20.4
85.42483	1.0
87.00768	2.0
89.02347	4.9
95.01275	3.4
97.02859	1.3
99.00778	5.7
101.02349	38.0
102.02689	1.2
103.03913	1.8
109.02840	1.3
113.02357	14.3
121.06380	1.1
125.02355	4.3
134.76234	1.1
143.03412	1.6
145.02924	1.1
159.02919	3.0
161.04532	11.3
163.06169	1.2
169.01416	1.5
178.52844	1.1
241.02925	1.3
253.13528	1.0
319.21332	49.9
320.21609	4.2
465.27164	100.0
466.27576	14.2
525.23700	4.4
525.30902	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	525.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.4
57.03337	0.6
57.61275	0.3
58.00500	0.4
59.00993	0.5
59.01263	6.9
59.12435	0.3
61.98718	4.0
67.01773	0.9
69.03337	0.8
69.43420	0.3
71.01266	5.3
71.61666	0.5
72.99184	0.8
73.02833	0.6
75.00756	0.4
75.83514	0.3
79.01769	0.8
80.77914	0.3
83.01279	0.9
85.02843	2.0
87.00742	0.4
88.98684	0.6
89.02335	2.2
95.01271	1.7
96.95911	0.4
97.02855	0.6
99.00770	1.0
101.02347	3.1
107.01298	2.8
109.02879	0.5
110.00005	0.3
111.00791	2.5
113.02360	1.6
117.60714	0.3
119.03422	0.3
123.00804	13.3
123.04450	0.6
124.01575	1.0
125.02368	14.6
126.02684	0.6
127.00319	0.6
136.98721	1.8
137.02367	0.4
139.00328	4.5
140.01111	3.1
141.01892	2.0
149.02364	0.3
151.00304	10.9
152.00728	0.3
153.01845	0.5
161.04483	0.5
163.03905	0.6
168.00591	3.8
169.01379	21.1
170.01704	1.1
171.13826	0.8
177.03970	0.5
211.02493	4.5
213.91908	0.3
214.68108	0.3
269.98102	0.5
271.01962	0.3
271.04651	5.3
272.05008	0.4
285.00534	0.3
289.07181	0.7
293.08920	0.5
297.97675	1.5
300.99982	0.4
313.00046	3.3
313.05856	1.9
314.00244	0.3
316.02005	0.4
328.02237	3.1
329.02478	0.4
331.06915	0.9
343.04645	4.6
343.28024	0.3
344.04974	0.6
355.80212	0.3
360.28256	0.6
361.28680	0.5
362.29163	0.4
363.29095	0.6
385.11435	0.3
390.25937	0.3
409.71149	0.3
417.12289	0.3
463.08887	0.5
485.90094	0.3
487.21869	3.8
488.22330	0.5
489.22211	0.4
524.34253	4.4
525.23529	100.0
525.34540	3.7
526.23871	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	525.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.5
57.03344	0.5
58.00447	0.2
59.01269	5.9
60.99186	4.0
61.98714	1.2
65.00204	0.3
67.01779	1.2
68.99688	0.3
69.03338	0.9
71.01275	4.1
71.59736	0.3
72.98561	0.2
72.99201	0.7
73.02831	1.5
75.00765	0.3
79.01788	1.2
80.09847	0.2
81.03355	0.4
83.01277	1.6
83.04926	0.3
85.02837	2.2
87.00771	0.8
88.98703	27.1
89.02351	1.5
92.46251	0.2
93.03363	0.4
95.01289	2.5
96.65478	0.2
96.95958	0.5
97.02877	1.1
99.00772	0.7
101.02354	3.6
107.01294	4.5
109.02864	1.0
111.00802	3.0
113.02370	1.7
119.03417	0.3
119.04906	0.5
121.02908	0.5
123.00806	19.7
123.04424	0.7
124.01593	1.0
125.02375	20.4
126.02691	0.8
127.00305	1.1
135.04474	0.4
136.98756	1.8
137.02370	1.1
137.06058	1.1
139.00299	6.0
140.01102	4.0
141.01877	3.3
145.02934	0.5
149.02341	0.5
151.00311	15.3
151.03944	0.7
152.00610	0.6
153.01886	1.2
154.99825	0.4
161.04471	0.3
163.03955	1.1
165.01823	0.3
165.05511	0.4
166.99728	0.3
168.00597	4.8
169.01387	27.7
170.01697	1.5
175.03929	0.5
177.01854	0.7
179.03416	0.6
179.06995	0.3
181.05028	0.6
191.03476	0.4
193.05074	0.4
195.02972	0.3
209.04581	0.5
211.02449	1.9
223.02463	0.2
240.69170	0.3
253.03609	0.6
262.22241	0.2
271.04602	2.2
273.00064	0.2
289.07266	0.6
300.99908	1.9
302.00177	0.4
303.16025	0.7
313.05777	2.3
314.98010	0.5
315.05298	0.3
315.98505	0.4
355.08154	0.4
363.14508	0.6
373.18710	0.8
450.79391	0.3
463.08853	0.3
481.20782	0.8
507.18857	0.7
508.17380	0.3
524.34601	0.2
525.23950	100.0
526.24329	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	525.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71856	0.1
55.01765	0.4
56.00808	0.2
56.40141	0.2
57.03341	0.3
59.01267	2.8
60.99190	2.3
61.98717	0.4
65.00210	0.2
67.01776	0.7
67.24332	0.2
69.03353	0.6
69.43978	0.4
69.44386	1.0
71.01269	2.8
71.95964	0.2
72.11674	0.2
72.99203	0.5
73.02836	0.8
75.13735	0.2
79.01776	0.8
83.01276	1.0
85.02848	1.2
86.00000	0.2
87.00803	0.4
88.98701	16.2
89.02346	0.7
94.86136	0.2
95.01292	1.9
96.95904	0.2
97.02859	0.5
99.00771	0.4
101.02351	2.2
107.01295	2.7
109.02876	0.6
110.00025	0.4
111.00793	2.0
113.02361	0.8
117.03269	0.2
119.03430	0.2
123.00802	13.3
123.04400	0.2
124.01601	0.6
125.02372	13.9
126.02718	0.7
127.00301	0.6
135.04469	0.4
136.98752	1.4
137.02367	0.6
139.00304	4.2
139.03917	0.2
140.01096	2.9
141.01874	1.7
145.02898	0.3
149.02376	0.2
150.03143	0.3
151.00311	10.4
151.03958	0.7
152.00690	0.4
153.01892	0.6
154.99828	0.2
157.06538	0.3
161.02330	0.2
161.04482	0.2
163.00368	0.2
163.03983	0.6
165.01898	0.3
166.99838	0.3
168.00603	3.8
169.01384	18.9
170.01711	1.0
171.01932	0.2
175.03911	0.3
177.01877	0.3
177.67607	0.2
179.03459	0.4
181.05017	0.6
189.02032	0.2
211.02502	1.3
217.01550	0.3
223.02466	0.2
240.65742	0.2
253.03645	0.3
271.04599	1.2
284.11276	0.2
289.07135	0.3
300.99960	0.9
301.14609	0.3
303.16138	1.2
313.05783	1.6
327.01700	0.4
330.06799	0.7
331.88461	0.2
341.06760	0.6
351.21967	0.4
359.15012	0.4
463.08911	0.3
465.11569	0.3
465.23709	0.2
477.19324	0.2
493.18314	0.5
524.21832	0.2
525.23578	100.0
526.23938	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.5
55.13018	0.3
59.01266	3.5
60.99185	0.8
61.98731	0.5
67.01772	0.7
69.03340	0.8
71.01275	3.2
71.59824	0.3
72.99201	0.5
73.02840	0.6
75.00770	0.4
79.01795	0.9
83.01282	1.5
83.02380	0.7
85.02856	1.5
87.00761	0.7
88.98703	4.3
89.02339	1.2
93.03369	1.3
95.01285	1.9
96.95918	1.5
97.02861	0.5
101.02353	1.9
107.01279	2.5
109.02856	0.7
110.00021	0.6
111.00806	3.2
113.02385	1.5
119.03419	0.6
119.05016	0.3
123.00806	15.3
124.01583	1.1
125.02374	16.1
127.00292	1.3
136.98746	1.3
137.02409	2.1
139.00305	4.8
140.01105	3.4
141.01857	2.6
149.02415	0.5
151.00316	10.5
151.01524	0.7
151.03975	0.6
153.01874	1.7
154.99806	0.6
159.46178	0.3
163.03981	0.6
164.76968	0.4
166.99808	0.5
168.00620	4.3
169.01382	21.1
170.01724	1.0
173.04395	0.3
179.03421	0.6
191.03499	0.6
211.02495	2.7
246.16379	0.3
271.04718	3.1
272.05057	0.5
275.02258	0.3
300.99939	2.0
313.05774	1.4
395.10147	0.3
435.13080	3.1
465.23685	0.4
525.23584	100.0
526.23926	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	525.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28398	0.2
54.83753	0.2
57.03312	0.4
58.46848	0.2
59.01265	3.3
60.99194	14.7
61.98717	4.3
67.01742	0.5
69.03333	0.3
69.41676	2.1
71.01275	3.4
72.01598	0.4
72.88772	0.2
72.99201	0.4
73.02816	0.8
75.00735	0.6
79.01782	0.4
83.01268	0.7
85.02846	1.3
86.03219	0.2
87.00771	0.8
88.27262	0.2
88.98701	100.0
89.02312	1.2
89.99046	0.9
93.03356	0.6
95.01285	0.9
96.95912	0.4
97.02879	0.3
99.00828	0.2
101.02367	2.0
107.01297	1.1
108.02095	0.3
109.02875	0.7
111.00792	1.0
113.02386	1.2
117.03346	0.3
119.03455	0.4
119.04976	0.4
123.00806	5.0
123.04476	0.6
125.02369	7.7
136.98766	0.3
137.02361	1.5
139.00328	1.4
140.01134	0.9
141.01906	0.7
145.02946	1.0
149.02385	0.2
149.23296	0.2
151.00301	2.8
151.03979	0.6
153.01894	0.3
161.02501	0.4
163.00464	0.4
163.04059	0.7
165.01877	0.6
166.99898	0.3
168.00630	1.1
169.01387	8.6
169.02736	0.5
170.01805	1.0
173.04671	0.5
175.04033	0.3
177.01953	0.6
179.03580	0.3
184.36540	0.2
187.04128	0.3
189.02040	0.8
191.00014	0.3
203.03638	0.4
211.02438	1.3
211.13504	0.3
217.01593	0.6
219.03220	0.4
224.02261	0.2
231.03233	0.2
271.04965	1.1
274.01157	0.3
275.02206	0.4
286.98703	0.3
289.07169	1.1
301.00009	2.6
302.00635	0.6
311.36856	0.2
313.05862	0.5
314.98346	0.8
315.98889	0.6
341.06613	1.1
362.30487	0.8
363.14655	0.5
373.00244	0.2
373.18759	1.3
381.56213	0.2
395.02802	0.3
425.79752	0.2
435.11029	1.3
437.06250	0.3
465.12497	0.3
481.22021	0.8
507.19894	0.4
524.22876	1.6
524.35333	3.4
525.07941	0.8
525.24304	16.9
525.36926	0.6
526.24603	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37108	0.3
55.01764	0.6
57.03332	0.5
59.01267	100.0
59.79842	0.3
60.01594	1.4
61.98715	3.3
69.03347	0.5
70.12997	1.1
71.01276	8.6
72.01613	0.5
72.99194	0.6
73.02841	2.4
83.01250	1.3
85.02842	4.0
86.03238	0.3
87.00774	0.6
89.02355	2.1
94.68811	0.2
95.01307	0.8
96.95914	0.3
97.02869	0.3
99.00792	0.8
101.02351	6.1
101.03001	0.4
102.02767	0.3
107.01310	0.8
113.02378	3.3
119.03430	0.5
123.00840	1.6
123.04446	0.3
125.02361	3.0
137.02388	0.3
139.00351	0.4
140.01070	0.6
143.03464	0.7
151.00317	0.9
153.05559	0.3
155.10780	0.3
159.02985	0.6
161.04509	5.7
161.18634	0.3
163.06203	0.2
168.00589	0.5
169.01405	3.3
180.32381	0.3
269.98132	0.3
271.04758	0.5
289.07352	0.3
297.97614	0.6
298.98398	0.5
301.18399	0.4
313.00116	0.7
313.05875	0.4
313.23599	0.4
314.00858	0.7
314.24207	0.4
315.24780	0.5
341.26849	0.5
342.27390	0.8
343.27710	0.9
359.28116	3.9
360.28430	4.6
361.28708	8.1
362.28949	0.4
463.27106	10.4
464.27521	1.6
485.20410	0.4
487.21960	1.2
488.22202	0.6
522.34009	2.2
523.22443	8.1
523.34131	31.8
524.22717	1.7
524.34332	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	524.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.3
59.01269	9.7
60.01604	1.0
61.01701	1.4
61.98720	100.0
70.77171	0.6
70.77535	0.4
71.01290	1.5
72.01622	0.3
73.02852	0.7
83.01281	0.3
85.02844	0.5
101.02373	1.0
102.02725	0.2
113.02384	0.5
142.50778	0.2
151.80891	0.2
161.04543	0.5
213.12915	0.2
279.01367	0.3
299.20245	1.4
300.20581	4.4
301.20871	3.2
302.21240	1.7
331.74091	0.2
462.26108	1.0
463.26096	2.1
464.26471	5.9
464.32910	0.3
465.26132	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.4
55.85987	0.2
57.03325	0.3
59.01267	100.0
60.01603	1.0
61.98723	1.4
69.03376	0.2
71.01273	4.9
71.08727	0.4
73.02837	1.5
75.00771	0.6
83.01286	0.6
85.02848	2.4
86.44934	0.2
87.00790	0.2
89.02357	0.7
89.15059	0.2
95.01293	0.4
97.02825	0.2
97.88800	0.2
99.00772	1.0
101.02357	3.8
113.02361	2.2
125.02383	0.5
141.97339	0.2
143.03476	0.4
146.59770	0.2
151.00368	0.2
159.02977	0.6
161.04512	5.6
161.05830	0.3
169.01431	0.4
191.57877	0.2
205.03529	0.3
299.16693	0.2
358.77045	0.2
391.41800	0.2
463.27335	7.9
463.33124	1.6
464.27454	1.2
464.33279	0.2
523.06604	0.3
523.22369	1.3
523.29736	1.0
524.22583	0.4
535.12262	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19069	0.1
55.01777	0.3
57.03325	0.2
59.01268	100.0
60.01606	0.9
61.98719	2.7
63.52465	0.1
71.01276	4.2
73.02841	1.5
75.00797	0.1
75.67635	0.1
83.01300	0.6
83.58402	0.1
85.02847	2.3
87.00790	0.3
89.02356	0.4
95.01304	0.3
99.00790	0.7
101.02348	3.3
113.02368	1.9
117.03400	0.2
119.04929	0.3
122.37396	0.1
125.02407	0.4
137.02402	0.1
143.03467	0.3
145.02881	0.7
157.99818	0.1
159.02953	0.6
161.04506	4.5
162.04901	0.2
169.01353	0.1
205.03484	0.3
208.65894	0.1
229.64116	0.1
233.15138	0.1
300.99817	0.1
373.22794	0.2
394.31461	0.1
399.20596	0.2
463.27121	8.2
463.32455	0.4
464.27429	1.4
478.19675	0.1
507.26428	0.2
523.33722	3.3
524.33514	0.3
548.39075	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	523.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.7
57.03339	0.5
59.01266	100.0
60.01603	1.1
61.01690	0.2
61.98719	4.2
69.03357	0.2
69.30081	2.0
71.01271	7.9
72.01612	0.5
72.99205	0.4
73.02831	2.2
75.00789	0.2
83.01272	1.3
84.01630	0.3
85.02850	3.1
86.03227	0.3
87.00788	0.4
89.02334	1.2
90.02668	0.2
95.01285	0.7
99.00783	1.0
101.02349	5.7
102.02714	0.4
109.12640	0.2
111.00782	0.2
113.02370	3.2
123.00831	0.4
125.02353	1.3
135.04456	0.2
143.03410	0.3
151.00352	0.6
159.02927	0.6
161.04507	6.5
169.01407	1.2
205.03535	0.4
231.91667	0.2
269.08661	0.2
277.08875	0.4
277.79187	0.2
313.05618	0.2
314.24457	0.3
315.24301	0.3
317.19849	0.3
341.26910	0.6
342.27441	0.5
343.27689	0.8
359.28079	1.5
360.28357	2.3
361.28760	3.7
431.15091	0.3
463.27072	11.0
464.27487	1.6
507.25775	0.2
522.33789	3.0
523.22968	2.6
523.34137	30.0
524.22241	0.6
524.34619	2.3
548.09583	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.6
57.03336	0.2
59.01265	100.0
59.05191	0.2
60.01609	1.1
61.69033	0.2
61.98729	0.4
64.36698	0.2
71.01271	8.0
71.32587	0.5
72.99170	0.3
73.02836	2.8
83.01279	1.2
85.02845	4.2
87.00793	0.3
89.02339	0.6
92.86839	0.2
95.01315	0.7
97.02848	0.3
99.00803	1.2
101.02345	5.8
101.03003	0.4
102.93172	0.2
113.02354	3.9
113.03069	0.3
115.49915	0.2
125.02361	0.3
129.01913	0.2
143.03479	0.6
159.02911	1.0
161.04501	10.7
162.04900	0.3
205.03635	0.3
463.27100	10.9
464.27454	1.8
507.26465	0.3
523.29083	1.0
524.29742	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42092	0.5
55.01773	1.7
55.74643	0.6
57.03326	2.1
59.00994	1.0
59.01266	14.4
60.01609	0.7
69.03337	0.7
71.01273	30.5
72.01610	1.1
72.99199	1.3
73.02842	14.0
75.00755	0.8
83.01283	6.8
85.02850	14.5
87.00772	1.8
89.02346	6.7
95.01282	2.9
97.02843	1.1
99.00775	7.1
101.02350	24.3
109.02860	1.3
111.00787	1.7
113.02357	13.8
115.03913	0.8
123.00841	1.5
125.02370	7.9
127.00294	2.9
129.01869	1.0
131.03426	1.1
137.02367	1.2
139.00273	1.2
143.03427	2.5
149.04521	0.7
154.99939	1.4
159.03004	3.4
159.04042	0.6
161.02376	0.7
161.04503	13.4
166.99918	0.7
167.62402	0.5
169.01360	3.9
194.00938	2.3
201.27690	0.7
205.03537	0.8
211.02539	2.0
230.97174	0.7
233.06696	1.2
271.04709	1.5
301.00027	0.8
313.05780	0.8
331.17719	10.5
332.18222	0.7
344.13397	0.7
359.15005	0.7
361.16275	2.1
376.06699	0.6
416.10797	0.6
428.65698	0.8
438.02734	0.6
463.21967	100.0
464.22223	14.3
491.33130	0.8
498.33569	0.7
523.21417	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	523.241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	2.8
57.03329	4.1
58.00503	1.0
59.01267	53.0
61.98715	1.7
67.01768	1.2
69.03339	1.2
69.24200	0.9
71.01272	49.8
71.61501	1.4
72.99190	2.7
73.02840	11.5
75.00773	2.0
81.03352	1.0
83.01271	7.7
85.02842	16.6
87.00776	4.0
89.02341	21.2
95.01271	4.5
97.02853	2.0
99.00780	3.2
101.02348	30.2
102.02674	1.0
107.01313	1.8
108.02085	1.3
109.02848	3.2
111.00797	3.1
113.02356	16.2
119.03403	3.3
121.02871	6.1
122.03658	6.4
123.00820	2.5
123.04419	2.6
124.01623	1.5
125.02377	11.8
129.01894	1.3
130.71490	0.9
131.03442	7.8
135.04456	2.5
137.02373	3.3
139.00264	2.3
139.11194	1.6
140.01071	0.9
143.03415	2.9
147.04469	4.3
149.04507	3.4
151.00356	1.0
151.03879	1.0
161.04504	11.0
161.05867	1.9
162.06961	1.0
163.04015	1.3
165.05534	14.8
166.05875	0.9
168.00658	1.9
169.01387	9.1
179.07144	3.4
183.10237	6.2
191.05569	1.4
207.02943	1.3
209.11835	4.1
211.02521	1.8
233.06595	1.3
271.04715	4.0
277.01221	1.1
297.12030	2.6
300.99982	2.9
313.05618	1.5
313.14539	2.7
315.12509	1.5
329.13507	1.0
331.17761	9.4
343.15631	2.3
346.14352	5.5
347.14957	1.8
361.09433	2.7
361.16663	49.5
362.16968	6.8
371.13452	2.7
463.21927	100.0
464.22278	12.0
523.14923	5.6
523.22015	63.8
524.16168	0.9
524.22614	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	523.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.2
57.03316	1.2
59.01262	30.0
61.98696	1.6
69.03338	1.5
71.01266	32.3
71.61013	1.0
72.99176	3.0
73.02842	9.5
73.07612	1.0
75.00746	2.0
80.02554	1.2
81.03350	1.0
83.01286	6.9
83.04909	4.9
85.02847	12.4
87.00774	3.0
88.98690	3.6
89.02333	12.0
93.03379	2.0
95.01276	3.8
96.95901	6.1
97.02867	1.6
99.00780	5.2
101.02348	24.3
108.03162	0.9
109.02882	4.7
111.00813	2.4
111.78298	0.9
113.02357	13.3
119.03400	3.7
121.02864	6.5
122.03695	4.4
123.00800	5.1
123.04427	1.5
124.01627	1.7
125.02370	12.8
126.02709	1.2
134.03638	1.2
135.04408	2.3
137.02386	6.1
137.03326	1.0
139.00293	2.6
139.04012	1.3
143.03445	1.3
145.02924	1.1
147.04456	3.6
149.02290	1.1
149.06114	1.4
150.03195	1.1
151.00301	3.4
151.03963	2.4
152.01041	1.2
159.02968	1.9
161.02391	1.5
161.04520	7.8
163.04001	1.5
163.06050	1.2
163.11232	2.9
165.05525	13.3
165.12787	2.5
166.99803	4.3
168.00514	2.0
169.01405	10.4
177.01801	1.0
179.07092	3.4
183.10234	1.4
191.07056	1.6
209.11826	100.0
210.12193	6.4
211.02422	1.0
227.12894	18.7
253.09323	17.0
255.11388	1.0
299.99261	1.1
300.99890	1.9
313.05838	1.2
313.14450	1.1
314.06396	1.5
317.16248	3.0
328.13309	1.5
331.17722	3.4
334.06772	1.0
341.06506	1.0
343.15463	1.7
346.14182	5.1
347.14932	1.1
361.09756	1.5
361.16608	37.6
362.16943	4.1
433.07590	1.3
461.85895	1.0
463.21939	58.9
464.22168	7.1
523.14661	2.0
523.22028	52.1
524.22473	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	523.2197
Annotation	Mascaroside
Peak:m/z	Relative Intensity
55.01772	1.9
56.32582	0.2
57.03328	1.2
58.00480	1.5
59.01266	22.6
64.69973	0.2
69.03359	0.3
69.18991	0.2
70.72306	0.5
71.01270	19.3
72.01608	0.4
72.99199	2.0
73.02837	3.6
75.00759	0.3
83.01285	3.2
85.02348	0.5
85.02847	8.1
85.99993	0.6
87.00787	1.8
89.02342	6.2
89.02894	0.4
93.03374	1.1
95.01273	1.9
96.95920	1.9
96.96841	0.3
97.02857	0.5
98.51362	0.2
99.00788	1.6
101.02348	12.9
103.03892	0.2
108.02082	0.7
109.02865	4.7
110.26369	0.2
111.00802	1.1
113.02351	4.8
119.03417	2.5
119.04951	0.5
121.02869	12.1
122.03663	12.2
123.00808	0.3
123.04516	1.8
124.01598	1.6
125.02393	1.4
127.00265	0.3
129.01888	0.3
129.03400	1.1
131.03403	0.9
134.03674	0.8
135.04439	2.2
136.01575	0.2
136.05212	1.1
137.02382	2.2
141.01884	0.2
143.03435	0.3
145.02907	0.3
146.03625	0.7
147.04471	7.9
148.05110	0.8
149.04524	0.5
149.06013	1.4
150.03183	0.4
151.03938	0.4
151.69521	0.2
153.01842	0.4
154.02737	1.1
155.10805	0.2
159.02965	0.6
159.04460	0.3
160.05254	0.3
161.04482	1.0
161.06012	2.5
162.06708	0.7
163.03955	0.7
163.07503	0.3
164.04747	0.6
165.05528	23.6
166.05849	0.9
166.99806	0.3
168.04163	0.3
169.01349	0.8
173.05995	1.0
174.06792	0.7
175.07602	1.0
176.08293	0.3
177.05550	0.3
178.06305	0.8
179.05687	0.4
179.07095	7.3
180.07474	0.4
190.06271	0.4
191.07147	1.8
192.07695	0.3
193.08725	0.4
208.07344	0.3
209.08128	0.8
223.09773	1.1
281.11627	0.2
285.11343	0.4
289.07205	0.2
297.11456	0.4
298.12048	1.4
299.12878	0.5
301.10608	0.2
313.11011	0.4
313.14548	2.0
314.14996	0.4
315.12366	1.9
316.13156	0.7
328.13126	1.9
329.13928	1.0
343.11975	0.4
343.15640	3.8
344.15955	0.4
346.14294	8.6
347.14935	2.8
348.15268	0.3
361.16641	75.9
362.16998	10.1
362.29416	0.2
372.19806	0.2
463.22049	3.4
464.21960	0.5
508.19989	0.5
523.21985	100.0
524.22333	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	523.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.9
57.03341	0.8
59.01263	3.8
59.01519	0.9
67.01768	0.9
69.03335	0.9
70.38381	0.8
70.38778	1.0
71.01271	4.3
72.99168	0.5
73.02831	1.5
79.01772	1.6
83.01258	1.6
85.02829	3.1
87.00793	0.8
89.02335	1.0
95.01295	3.6
97.02876	1.1
99.00775	1.0
101.02359	3.4
107.01287	5.4
107.03672	0.5
111.00818	3.0
113.02357	1.7
114.64511	0.5
123.00815	24.4
124.01667	2.4
125.02378	22.7
126.02685	0.5
127.00316	0.8
130.83733	0.5
136.98734	2.0
139.00316	5.8
140.01085	5.8
141.01863	2.8
151.00311	15.4
152.00668	0.5
153.01871	0.8
163.03894	0.5
168.00620	4.6
169.01390	26.4
170.01718	1.6
177.04176	0.7
179.03583	0.8
181.05142	0.9
209.04431	0.5
209.15479	0.8
211.02490	1.7
271.04651	1.4
299.86136	0.5
313.05536	2.4
416.51697	0.6
511.86594	0.5
523.21960	100.0
524.22247	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	523.2199
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01258	0.9
61.19714	0.2
61.98714	0.4
71.01269	1.1
71.58092	0.3
85.02853	0.6
89.02341	0.6
91.61542	0.3
93.03371	1.3
96.95922	0.5
97.02826	0.3
99.00811	0.3
101.02326	0.9
108.02109	0.5
109.02871	4.5
111.00801	0.3
111.04498	0.3
113.02366	0.3
119.04964	0.4
121.02874	13.2
122.03671	11.2
123.00803	0.6
123.04499	2.0
124.01629	1.3
125.02400	1.5
127.36219	0.3
129.03351	0.7
132.79129	0.3
134.03673	0.4
135.04497	1.7
136.05229	1.0
137.02380	2.8
138.24149	0.3
146.03659	0.4
147.04466	5.5
148.05194	0.6
149.05991	1.2
150.03166	0.4
151.03902	0.3
153.01906	0.4
154.02631	1.5
155.10744	0.5
159.04398	0.5
161.04774	0.3
161.05992	1.9
163.03845	0.7
164.04610	0.3
165.05533	22.4
166.05885	1.3
166.99840	0.3
169.01375	1.5
175.07646	0.4
177.02036	0.3
178.06316	0.6
178.67149	0.3
179.07098	6.8
180.07477	0.4
181.75363	0.3
191.05370	0.3
191.07143	0.7
208.07607	0.4
209.08182	0.8
223.09779	1.0
256.26779	0.3
298.12131	0.7
301.00000	1.7
301.10709	0.4
313.14456	1.0
315.12518	2.1
316.12881	0.6
331.15411	0.5
345.13354	0.4
346.14301	10.1
347.14722	1.1
356.26843	0.3
361.16660	100.0
362.16974	12.2
463.22281	0.4
466.17169	0.3
523.14661	0.8
523.21637	0.5
524.14874	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38640	0.1
53.70996	0.1
55.01767	0.5
57.03335	0.5
58.00461	0.1
59.01265	4.4
61.69176	0.1
65.00211	0.3
67.01782	0.7
68.99725	0.2
69.03346	0.5
69.46452	0.7
69.46867	0.3
71.01274	2.5
72.99194	0.4
73.02837	0.8
76.93427	0.1
79.01785	0.9
81.03342	0.3
83.01267	0.8
85.02841	1.6
85.43661	0.1
85.99999	0.2
87.00768	0.3
88.98724	0.2
89.02325	0.3
93.03384	0.2
95.01281	1.6
96.99226	0.1
97.02843	0.6
99.00784	0.4
101.02345	1.8
107.01300	3.1
109.02864	0.2
110.00018	0.4
111.00796	1.9
113.02351	0.9
123.00803	13.7
123.14001	0.1
124.01663	1.2
125.02370	14.4
126.02701	0.5
127.00295	0.7
135.00858	0.1
135.04532	0.2
135.06093	0.1
136.98738	1.3
137.02341	0.4
137.09694	0.1
139.00310	4.1
139.03893	0.1
140.01103	2.7
141.01886	1.7
151.00311	10.0
151.03929	0.3
152.00665	0.5
153.01875	0.7
154.99828	0.3
161.04463	0.1
163.03931	0.3
166.99847	0.2
167.03468	0.4
167.99187	0.2
168.00613	3.4
169.01379	18.4
170.01732	0.9
177.03979	0.3
179.03467	0.3
181.05057	0.4
191.03442	0.2
193.05070	0.2
195.03067	0.2
209.04601	0.2
209.15443	0.5
211.02487	1.1
212.02969	0.2
223.02487	0.2
253.03551	0.3
271.04572	1.0
272.05075	0.2
273.05148	0.2
273.07809	0.3
283.57291	0.1
284.03192	0.1
285.04291	0.2
313.05719	1.1
314.06125	0.1
361.18375	0.1
431.10007	0.2
434.95102	0.1
507.57498	0.1
508.19287	0.1
523.21954	100.0
524.22302	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	523.147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.0
59.01264	5.4
67.01763	0.7
69.03352	1.1
69.29015	5.8
71.01271	6.7
73.02827	1.0
75.82832	0.5
78.48428	0.7
81.03352	1.4
83.01290	1.1
85.02847	2.3
87.00763	1.1
89.02332	3.7
93.03400	0.9
95.01279	1.1
96.95894	1.3
97.02816	1.0
98.19750	0.9
99.00760	1.0
101.02351	3.6
107.01305	4.8
107.04937	1.5
107.55003	0.6
108.02084	0.6
109.02873	3.5
111.00782	2.3
113.02337	2.0
116.92761	0.8
121.02871	8.9
121.10126	0.9
122.03673	6.7
123.00799	9.7
123.04439	1.4
123.08083	9.7
124.01574	1.7
125.02373	32.4
126.02715	1.1
129.03345	0.7
131.03412	1.8
135.04439	1.4
136.05165	0.8
136.98726	1.1
137.02376	2.6
137.06006	0.6
139.00304	3.3
140.01065	2.2
141.01869	1.9
146.03651	0.6
147.04446	3.8
147.08142	3.4
149.04501	2.9
149.06032	2.3
151.00313	5.7
151.03943	5.2
153.01874	1.1
154.02657	1.2
156.50002	0.5
161.06012	1.2
163.00481	0.9
163.03957	0.8
164.01114	0.5
165.01880	0.9
165.05522	16.7
165.06862	1.2
165.09151	6.0
166.99779	1.1
167.03499	0.6
168.00589	2.1
169.01384	42.8
170.01709	2.1
170.74228	0.6
179.03441	0.9
179.07092	6.1
180.07471	0.6
191.05585	1.0
191.07108	12.0
192.07504	0.8
193.01544	0.6
203.03506	1.0
209.08189	70.9
210.08510	4.3
211.02457	1.3
220.69330	0.5
223.09735	1.0
241.03600	0.7
253.03528	0.6
300.99875	2.8
313.05777	10.0
314.06104	1.1
315.12427	2.0
316.13211	0.5
346.14301	6.5
347.14551	0.7
361.16660	66.9
362.16971	6.1
371.13489	7.3
372.14124	0.7
385.44492	0.6
463.21820	3.1
505.13776	1.4
523.14697	100.0
524.14948	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	523.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.2
67.01794	1.0
68.99689	0.6
69.03353	1.2
69.30537	3.2
69.30962	2.7
71.01274	4.7
72.99200	0.8
73.02853	0.7
79.01797	1.0
83.01269	0.7
85.02811	1.2
86.43972	0.6
95.01302	1.4
96.95947	0.6
97.02859	1.4
101.02362	2.0
107.01289	9.2
109.99989	0.8
111.00793	4.8
113.02355	2.0
123.00799	9.4
124.01589	2.5
125.02370	62.4
126.02708	1.8
127.00318	0.9
130.62305	0.5
136.98795	1.5
137.02399	1.1
139.00281	5.6
139.03906	1.5
140.01089	5.9
141.01825	1.3
151.00314	7.7
151.03946	1.2
153.01907	0.7
161.02377	4.6
162.03180	0.8
164.73303	0.6
165.01854	0.6
166.99783	1.3
167.03389	0.9
168.00610	7.9
169.01379	97.0
170.01804	3.1
174.76405	0.5
176.04768	3.2
177.91441	0.5
179.03476	9.4
180.04204	2.2
183.02980	4.3
189.32478	0.6
191.07083	1.3
194.05809	10.5
195.06589	3.3
209.08195	6.6
211.02454	2.6
215.48325	0.6
223.02594	0.8
241.03584	2.2
297.06174	3.8
313.05722	23.6
314.06082	1.8
327.07355	3.5
523.14703	100.0
524.15039	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	521.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70042	0.4
55.01759	1.0
57.03330	0.8
58.00491	0.7
59.01265	15.0
61.98717	6.3
65.82201	0.3
70.62119	0.3
71.01270	8.2
72.01630	0.4
72.99206	0.8
73.02851	2.1
73.61385	0.3
75.00767	0.4
82.95274	0.5
83.01290	1.7
83.04925	0.8
85.02838	3.8
87.00769	0.7
89.02360	2.4
95.01298	1.3
99.00785	0.7
101.02344	6.2
111.00782	0.5
113.02361	2.8
119.03405	0.9
123.04421	0.7
124.01589	0.4
125.02354	2.4
137.02397	0.6
149.02420	0.5
151.03897	0.4
159.02983	0.4
161.04512	0.9
169.01375	1.4
170.14720	0.3
268.60245	0.3
289.07245	0.6
293.24564	0.3
301.00006	0.4
313.05655	0.5
323.22333	0.3
339.25412	0.6
341.27029	5.9
342.27271	0.8
357.26514	1.2
359.28098	23.8
360.28339	2.3
461.25375	0.6
461.31378	0.6
503.32422	1.6
504.32922	0.4
521.33405	100.0
522.33740	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10452	0.2
51.22067	0.2
53.43205	0.2
55.01769	0.7
57.03343	0.7
58.00484	0.5
59.01266	12.6
60.01607	0.3
61.44122	0.2
61.78844	0.2
61.98725	0.5
67.80174	0.2
69.03353	0.3
70.18171	0.5
70.18549	0.4
71.01270	7.7
72.99220	0.7
73.02849	1.6
83.01284	1.0
85.02853	2.6
87.00793	0.8
89.02345	3.2
90.32000	0.2
95.01299	0.7
98.20522	0.2
99.00799	0.8
101.02351	4.7
111.00804	0.4
113.02364	2.2
119.03429	1.3
125.02379	0.5
138.03987	0.2
153.82057	0.2
161.04497	0.8
169.01328	0.2
174.94858	0.2
186.57224	0.2
211.02481	0.3
267.23355	0.4
271.04483	0.3
283.78058	0.2
295.22977	0.3
311.25998	0.5
313.23920	3.0
314.24585	0.3
327.25601	0.2
341.27057	6.5
342.27475	0.8
357.26883	0.4
358.27103	0.2
359.28110	25.4
360.28427	2.8
391.94040	0.2
450.96600	0.2
461.24976	0.4
461.90543	0.2
463.87759	0.2
466.27545	0.2
503.32410	1.2
521.33405	100.0
522.33765	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	521.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52912	0.1
55.01770	0.6
55.17569	0.1
57.03339	0.9
58.00479	0.4
59.01265	10.0
60.01599	0.1
61.98707	0.2
69.03336	0.3
69.41181	0.9
71.01271	7.6
72.01612	0.1
72.99195	0.5
73.02835	1.4
74.33223	0.1
75.00775	0.2
83.01278	1.3
85.02843	2.3
86.00008	0.2
87.00773	0.8
89.02340	2.3
95.01277	0.6
97.02839	0.2
99.00800	0.5
101.02352	4.2
111.00771	0.5
112.01587	0.1
113.01620	0.2
113.02371	2.0
119.03417	0.8
123.00841	0.5
125.02375	0.9
127.11218	0.2
129.01843	0.1
137.09645	0.2
140.01094	0.2
141.01840	0.1
141.12776	0.2
143.34656	0.1
145.02878	0.2
151.00308	0.3
155.10789	0.1
157.12279	0.1
159.02969	0.1
161.04546	0.2
168.00609	0.2
169.01344	1.0
185.11858	0.2
207.45396	0.1
211.02382	0.2
253.21884	0.2
267.23346	0.2
271.04636	0.2
271.22849	0.2
293.24860	0.2
295.22849	1.1
307.22800	0.1
309.24332	0.1
311.22330	0.3
311.26007	0.4
313.23886	3.2
314.24338	0.4
323.25961	0.3
325.23792	0.2
327.25403	0.2
341.27042	7.5
342.27481	0.8
356.28070	0.1
357.26801	0.5
359.28107	28.9
360.28473	3.7
371.28076	0.1
373.29630	0.5
401.29065	0.5
461.24582	0.3
473.31464	0.1
503.32401	1.3
504.32666	0.3
521.20508	3.6
521.33411	100.0
522.20764	0.6
522.33783	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	521.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12688	1.4
58.61406	1.5
59.01268	100.0
61.98707	5.5
70.77057	3.9
70.77420	2.7
71.01276	11.8
73.02831	5.9
77.08866	1.4
77.61494	1.5
77.61907	1.6
83.01262	3.6
83.57027	1.4
85.02842	6.0
87.00771	1.7
95.01310	1.5
99.00765	2.6
101.02340	7.4
113.02374	3.1
146.86079	1.5
161.04466	5.3
242.40822	1.4
299.20248	47.0
300.20535	6.0
321.28110	1.6
388.54730	1.5
408.82355	1.7
461.25574	49.2
462.26010	7.6
521.28784	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	521.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.4
57.03340	1.5
58.00484	0.6
59.01268	86.2
60.01606	1.9
61.01695	0.8
61.98728	1.2
69.03323	0.5
70.39378	0.3
71.01273	18.2
72.01605	0.8
72.99199	1.3
73.02847	5.0
75.00770	0.7
83.01295	2.5
83.04936	0.4
85.02850	8.0
86.03204	0.5
87.00789	1.4
89.02340	4.5
89.52850	0.3
90.02670	0.5
95.01289	1.7
96.95920	0.4
97.02878	0.4
99.00799	2.1
101.02353	12.3
102.02679	0.9
109.02890	0.9
113.02366	6.6
114.02686	0.9
119.03441	1.1
123.04472	1.0
125.02372	4.1
126.97388	0.4
129.01845	0.5
134.02213	0.4
137.02397	0.9
139.11244	0.4
143.03445	1.3
145.02881	0.4
145.43190	0.5
149.02419	0.4
151.00288	0.4
151.03992	1.1
153.67838	0.4
159.02991	1.9
161.04520	13.0
162.04930	0.5
163.06033	0.5
164.01059	0.4
169.01408	3.1
189.05595	0.5
195.03006	0.5
205.03406	0.5
205.05156	0.6
229.70720	0.4
233.54253	0.4
248.62003	0.4
257.74911	0.4
268.23868	0.3
290.18509	0.4
311.22513	0.5
312.22626	0.7
313.23837	1.0
327.25497	0.4
328.25845	0.6
329.26184	0.7
339.25504	1.1
340.25781	1.9
341.26627	2.2
351.08987	0.4
357.26569	3.3
358.26895	6.2
359.27722	14.1
360.28168	1.3
369.09900	1.5
369.13934	0.8
370.09937	0.5
372.09485	0.4
455.12015	0.4
461.25589	10.8
461.31177	0.5
462.25787	1.5
471.63940	0.3
500.23871	0.4
503.31726	1.5
520.32202	14.1
521.32788	100.0
522.21039	0.7
522.33203	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	521.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01790	0.4
57.03348	1.0
59.01267	100.0
60.01598	1.0
61.98724	1.0
64.18471	0.2
68.62056	0.2
71.01270	9.1
72.99196	0.4
73.02843	3.3
83.01280	1.5
83.04882	0.2
85.02848	4.4
87.00806	0.4
89.02372	0.8
95.01301	0.5
99.00784	1.5
101.02343	6.3
109.02898	0.5
110.07814	0.2
113.02361	4.8
121.44946	0.2
125.02390	1.9
137.02405	1.1
143.03473	0.6
145.02933	0.3
149.65308	0.3
159.02962	1.5
159.04218	0.2
161.04509	11.7
162.04860	0.3
169.01424	0.3
205.03523	0.3
253.05179	0.3
289.07300	0.7
359.28326	0.3
461.25565	13.6
462.26065	2.1
477.19360	0.4
521.26727	1.5
521.34619	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21325	0.2
53.06741	0.2
55.01770	0.3
57.03345	0.4
59.01265	100.0
60.01600	1.0
61.98715	1.3
70.79105	0.5
70.79436	0.2
71.01272	5.6
73.02834	2.1
76.33810	0.2
83.01263	1.2
85.02841	3.2
89.02367	1.0
95.01290	0.5
97.02819	0.4
99.00797	0.9
101.02345	4.8
113.02358	3.2
125.02380	0.7
129.01895	0.3
140.81444	0.3
143.03468	0.4
159.02972	1.0
161.04497	7.5
161.05832	0.4
169.01341	0.5
178.72334	0.3
205.03531	0.5
206.88954	0.2
232.70549	0.2
241.69878	0.3
244.61394	0.2
267.99240	0.2
323.83572	0.3
461.25604	9.3
461.30698	0.4
462.26187	1.4
519.19958	0.3
521.21082	0.4
521.27759	1.3
521.35669	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.9
57.03337	1.1
59.01269	100.0
60.01604	0.9
61.98717	1.9
71.01276	17.2
71.38857	0.3
71.39237	0.5
72.99213	0.4
73.02846	5.5
75.00791	0.6
83.01273	1.8
85.02852	7.8
85.03352	0.4
87.00794	0.7
89.02332	1.1
95.01315	1.2
97.02870	0.4
99.00778	2.3
101.02357	11.3
113.02371	7.0
119.03450	0.3
121.02964	0.2
123.00847	0.5
125.02361	1.8
129.01886	0.3
140.01122	0.4
143.03471	1.5
151.00334	0.4
159.02960	2.6
161.04527	18.5
162.04829	0.4
168.00658	0.3
169.01407	0.8
176.48463	0.3
179.68715	0.3
205.03584	0.8
299.20251	5.8
299.23410	0.3
300.20773	0.7
359.28326	0.4
368.14520	0.2
461.25586	14.0
462.26010	2.1
521.20471	4.5
521.26978	0.5
521.33777	1.3
522.20673	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01788	1.1
57.03342	1.3
58.00492	2.9
59.01266	100.0
60.01585	1.2
61.98719	3.1
69.03337	1.2
69.55502	4.3
71.01272	38.1
72.99194	3.5
73.02838	18.2
74.03209	0.7
75.00746	0.7
81.03340	0.6
82.25787	0.6
82.96703	0.6
83.01268	4.0
85.02846	12.1
87.00767	6.0
87.04426	2.4
89.02342	35.6
95.01301	2.2
96.95921	1.5
97.02898	1.1
98.19760	0.6
101.02348	46.7
103.03912	15.0
103.04545	1.1
106.44759	0.6
106.46625	0.6
109.02837	0.8
113.02361	11.1
115.03918	4.9
118.77399	0.7
119.03423	16.9
121.02924	1.6
123.00831	1.7
125.02377	4.5
127.03948	1.2
131.03432	8.6
143.03458	9.4
145.05023	4.3
145.97205	0.7
151.00333	1.2
161.04533	2.5
163.06076	59.3
164.06470	1.9
168.00528	1.0
169.01413	3.5
179.05582	5.1
184.36839	0.6
205.07175	21.2
206.07536	0.8
208.08905	0.7
211.02487	2.3
214.25505	0.7
265.09344	5.2
271.04654	3.0
315.18451	4.4
399.12289	0.7
461.18213	1.7
461.24008	44.6
462.24197	7.4
468.98801	0.6
521.16266	6.5
521.33466	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	521.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.1
57.03333	1.1
58.00483	3.1
58.14926	0.5
59.01263	100.0
60.01589	1.1
61.98715	5.9
69.03345	1.4
71.01269	35.7
71.04904	0.7
72.01608	0.9
72.99199	3.7
73.02834	24.0
75.00778	1.0
81.03358	0.5
83.01282	4.1
85.02841	12.3
85.99989	1.5
87.00774	8.1
87.04412	3.3
89.02336	31.1
90.02686	0.5
95.01276	1.6
97.02870	1.1
98.19810	0.9
99.00774	1.4
99.04420	1.1
101.02345	55.0
102.02675	1.0
103.03201	0.9
103.03906	19.5
113.02356	7.5
115.03918	5.8
119.03422	14.2
123.00773	1.3
123.04452	0.9
125.02353	5.4
127.03928	1.9
131.03427	8.6
138.42380	0.5
139.00269	0.5
143.03439	12.1
144.03764	0.5
145.04987	5.5
149.04424	0.7
161.04497	2.1
163.06070	83.4
164.06339	2.7
168.00549	0.6
169.01436	3.2
179.05545	4.1
186.73909	0.5
205.07159	25.7
206.07738	0.7
211.02473	0.9
235.08368	0.8
247.08330	0.7
247.73857	0.5
265.09329	7.8
271.04642	0.6
314.45444	0.5
315.18228	5.4
325.11551	0.5
359.15143	0.7
435.31726	0.5
461.24023	33.5
462.24371	4.6
500.46149	0.5
521.20721	6.0
521.33234	2.7
522.20874	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	521.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.8
57.03324	1.6
58.00484	1.4
58.85414	0.8
59.00991	1.4
59.01267	21.1
60.32974	0.7
63.59267	0.8
63.96962	0.7
68.99712	1.0
70.62564	2.6
71.01270	17.0
72.99196	1.5
73.02840	4.2
78.95802	2.1
83.01278	4.7
85.02842	6.5
87.00782	2.8
89.02354	6.0
93.03372	1.3
95.01288	2.9
96.96859	1.5
99.00779	2.4
101.02357	11.5
107.01366	1.2
108.02085	0.8
109.02863	11.0
111.00804	3.2
113.02366	5.0
119.03427	1.8
121.02877	3.5
123.00791	2.7
124.01591	1.2
125.02380	6.2
126.02708	1.5
135.04373	1.4
137.02400	2.6
139.00305	0.9
143.07483	0.9
145.02892	2.5
146.03535	0.9
151.00311	1.8
151.03955	1.5
152.01068	1.5
153.01883	17.7
153.09245	0.9
154.02182	1.0
159.03053	0.9
159.04366	1.7
162.09508	0.8
163.00310	0.8
163.03963	1.3
168.00620	1.8
169.01373	4.5
178.99820	1.1
195.03026	4.8
205.12263	1.4
211.02438	3.6
226.36319	0.9
239.07239	0.9
240.04303	1.1
251.07047	1.3
252.04344	1.2
253.08606	1.1
254.06152	1.1
255.02837	2.1
255.05087	2.0
263.07172	1.1
265.08670	1.3
267.06750	2.7
268.07544	4.0
269.08258	4.9
270.08932	1.8
271.02328	1.4
271.04813	2.1
272.05045	2.4
273.05139	2.6
280.07452	1.8
281.08276	11.5
282.09021	4.8
283.09836	7.3
284.10641	1.1
289.07092	1.0
293.08191	4.0
294.09012	1.8
295.09830	3.2
296.10410	1.9
297.11285	1.6
299.09351	3.8
300.02872	3.4
300.09955	1.3
301.00070	1.1
301.03528	2.6
309.11584	1.1
311.09277	4.2
312.10056	1.5
314.08160	2.0
314.11743	7.4
315.12460	4.5
326.11673	9.8
327.12350	7.3
329.13983	7.5
330.14325	0.9
340.09662	1.2
341.13995	9.9
343.11969	1.6
349.89688	1.0
355.11905	3.9
356.12393	1.0
369.13397	1.3
385.15079	1.0
397.73569	1.0
445.14853	1.4
447.09375	3.7
461.14642	1.7
473.14734	4.9
476.17105	10.5
483.18869	3.5
485.19720	1.2
488.17017	7.0
489.17401	1.4
491.19385	100.0
492.19693	16.9
503.19376	98.3
504.19785	14.1
521.20392	45.3
521.28705	2.9
522.20782	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	521.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.5
56.39542	0.2
57.03338	1.0
58.00481	0.5
59.01266	8.8
61.98698	0.5
63.38709	0.2
63.84596	0.2
67.01776	0.7
68.99708	0.4
69.03354	0.7
70.09679	1.0
71.01273	8.2
72.99200	0.8
73.02843	1.8
75.00758	0.3
79.01776	0.8
83.01270	1.7
83.04938	0.2
85.02833	3.1
87.00787	0.7
89.01807	0.2
89.02338	4.2
95.01278	1.9
96.95920	1.3
96.96895	0.4
97.00312	0.2
97.02872	0.8
99.00777	0.9
101.02350	5.7
107.01294	3.3
108.02099	1.3
109.02868	1.1
109.99992	0.3
111.00804	1.8
113.02370	2.9
119.03428	1.3
123.00808	12.7
124.01640	1.6
125.02371	15.8
126.02670	0.5
127.00293	0.6
131.03368	0.3
136.98764	1.2
137.02348	0.5
137.09666	1.7
139.00304	3.6
139.03943	0.3
140.01102	3.1
141.01907	1.6
143.03406	0.5
149.02437	0.2
151.00320	8.1
151.03963	0.5
152.01117	1.0
153.01880	1.1
159.02951	0.3
161.04533	0.7
163.03975	0.2
163.06070	0.7
166.99773	0.3
167.03525	0.3
168.00592	4.9
169.01385	21.1
170.01695	0.7
177.03992	0.7
179.05606	0.5
181.01416	0.3
181.05014	0.5
183.03003	0.3
195.02948	0.3
205.07233	0.2
211.02480	6.2
212.02858	0.4
241.03568	0.2
255.05241	0.4
271.04630	4.5
272.05151	0.2
277.07263	0.4
313.05811	1.1
313.23996	0.3
319.08340	0.9
341.26779	0.6
359.11221	0.3
359.15323	0.4
359.28125	4.7
360.28571	0.4
379.10522	0.6
391.23740	0.3
456.62964	0.2
461.23880	1.6
477.17917	0.6
485.21210	0.3
490.79431	0.2
503.32144	0.3
521.20459	100.0
521.32654	22.6
522.20825	16.9
522.32764	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	521.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34211	0.2
55.01766	0.2
57.03336	0.2
59.00995	0.3
59.01252	3.1
59.01521	0.2
61.71049	0.2
61.98721	0.3
65.00217	0.2
66.70332	0.2
67.01775	0.5
68.99717	0.2
69.03349	0.4
71.01273	2.1
71.43823	0.2
72.99192	0.6
73.02836	0.2
78.50373	0.2
79.01777	0.5
83.01281	0.8
85.02852	0.8
87.00763	0.2
89.02335	0.8
95.01283	0.9
97.02844	0.5
99.00793	0.2
101.02359	0.8
107.01298	3.2
110.00008	0.3
111.00794	1.6
113.02348	0.6
121.06507	0.3
122.99913	0.3
123.00801	5.3
124.01585	1.9
125.02370	21.6
126.02721	0.9
127.00296	0.6
136.98747	1.2
137.02338	0.4
137.09657	2.0
139.00325	2.7
139.03949	0.7
140.01093	3.2
141.01865	0.6
151.00320	2.4
154.99841	0.4
165.01874	0.6
166.99864	0.3
167.03461	1.7
168.00597	11.4
169.01382	32.1
170.01770	1.0
183.02882	0.5
193.01392	0.2
211.02478	52.5
212.02820	3.0
241.03560	1.7
242.03810	0.2
253.03635	0.2
255.66281	0.2
271.04651	100.0
272.04990	6.0
328.60434	0.2
331.06787	24.4
332.07239	1.6
376.89252	0.2
471.29803	0.2
483.18829	0.3
521.20398	20.5
522.20715	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	521.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36922	0.3
55.01771	0.3
59.01258	3.9
65.00199	0.2
65.63300	0.2
67.01762	0.5
68.99728	0.2
69.03344	0.3
69.70335	0.2
71.01270	2.1
71.38663	0.4
72.99229	0.3
73.02853	0.3
79.01797	0.3
83.01283	0.5
85.02835	0.8
87.94256	0.3
89.02350	0.9
95.01298	0.9
97.02850	0.4
99.00793	0.4
101.02363	0.8
107.01304	3.6
109.99982	0.5
111.00790	2.0
113.02384	0.6
118.96914	0.2
121.02908	0.3
123.00810	5.2
124.01560	2.1
125.02370	22.8
125.38471	0.2
126.02718	0.7
127.00256	0.8
136.98715	1.3
137.02415	0.3
137.09647	1.5
139.00310	2.9
139.03920	0.4
140.01089	3.2
141.01852	0.8
151.00317	1.8
153.01877	0.4
165.01898	0.4
167.03448	1.6
168.00604	12.1
169.01382	32.6
170.01781	1.4
183.02966	0.5
211.02478	54.8
212.02837	3.0
241.03542	2.0
271.04645	100.0
272.05002	6.5
313.05963	0.3
331.06787	21.1
332.07114	1.9
391.15527	0.2
455.92059	0.3
472.79495	0.3
521.20410	23.5
522.20831	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	521.2041
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01756	1.6
57.03322	1.2
58.00469	1.2
59.01265	22.9
63.02852	0.4
71.01272	18.0
71.01669	0.9
71.61312	0.5
72.99187	2.0
73.02825	2.9
75.00713	0.4
79.98685	0.4
83.01283	2.7
85.02840	6.8
87.00769	1.3
89.02339	9.8
95.01286	1.8
97.31359	0.4
99.00772	1.5
101.02347	12.5
104.07210	0.3
108.02088	0.8
109.02866	6.1
111.00771	1.3
113.02367	4.9
119.03403	4.0
119.04958	0.5
123.04444	1.1
125.02343	2.7
129.01930	0.4
135.04428	0.4
137.02397	0.6
143.03447	0.4
149.02379	0.5
151.00362	0.4
159.03227	0.7
159.04434	3.1
161.04507	1.0
163.00343	0.5
169.01373	2.3
172.05176	0.9
173.06038	3.1
177.01897	0.6
179.05457	0.5
180.40688	0.4
187.07640	0.8
189.05530	1.7
191.07132	1.2
203.07074	1.3
205.08667	0.5
225.05566	0.6
240.04312	0.5
241.05067	4.4
242.05432	0.6
253.05060	1.3
255.06726	2.7
267.06812	0.7
268.07446	0.7
269.08115	1.1
279.06750	0.6
280.07455	0.6
281.08228	1.8
283.09756	0.7
295.09763	1.6
296.10385	0.8
298.08405	0.8
299.09323	3.0
311.09341	3.9
312.09802	0.9
313.10861	5.7
314.11392	1.0
325.11090	0.6
326.11624	3.7
327.12143	0.9
329.10397	2.1
329.13745	0.5
341.10220	0.5
341.14017	3.6
343.11890	1.4
344.12701	19.1
345.13199	2.6
359.15082	43.2
360.15466	4.8
521.20386	100.0
522.20764	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01782	0.2
58.25584	0.2
59.01262	3.6
61.98694	0.2
65.00219	0.3
67.01765	0.4
69.03349	0.5
71.01268	3.4
71.36787	0.4
71.37128	0.3
72.99187	0.3
73.02818	0.3
79.01804	0.3
81.96221	0.3
83.01299	0.6
85.02850	0.6
89.02361	0.8
95.01284	0.8
101.02346	1.4
101.65742	0.2
106.63828	0.2
107.01295	3.7
109.02880	0.2
110.00005	0.5
111.00800	2.1
113.02365	0.9
114.80884	0.2
123.00817	4.2
124.01552	2.4
124.02271	0.2
125.02371	23.0
126.02699	0.7
127.00257	0.3
136.98717	1.4
137.02405	0.5
139.00302	2.7
139.03979	0.5
140.01114	2.9
141.01802	0.4
149.02409	0.3
151.00288	2.5
154.77361	0.2
154.99785	0.3
158.73300	0.2
165.01875	0.5
167.03445	1.7
168.00601	12.2
169.01384	35.4
170.01753	1.3
181.01393	0.4
183.02946	0.6
193.01418	0.3
195.18996	0.2
211.02480	61.0
212.02800	3.3
241.03546	2.2
271.04651	100.0
272.05035	5.5
331.06775	18.3
332.07230	1.2
349.09570	0.2
349.16788	0.3
389.88278	0.2
391.23309	0.4
483.18997	1.4
485.19693	0.4
521.20416	35.5
521.32001	3.4
522.20807	5.5
522.33093	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01731	1.0
57.03293	1.8
59.01265	16.5
59.01537	0.7
61.98724	4.5
64.58392	0.5
67.01738	0.9
68.99678	0.8
69.03286	0.7
69.48452	0.7
69.48857	4.3
71.01270	18.5
72.99159	2.3
73.02839	6.1
75.00710	1.3
78.95783	4.2
79.01727	0.7
83.01263	4.2
85.02843	8.1
87.00747	1.4
89.02338	7.3
93.03334	1.1
95.01237	2.3
96.27318	0.7
96.95917	23.4
96.96848	8.1
97.02807	1.4
97.06444	0.8
98.02310	0.6
99.00775	2.8
101.02354	15.0
107.01308	3.3
108.02042	1.3
109.02817	2.2
111.00812	3.0
113.02358	5.6
117.03300	0.8
119.03368	2.3
119.04886	1.0
121.02783	0.7
123.00797	9.7
123.04391	2.0
124.01552	1.0
125.02367	19.8
126.02697	0.7
127.00244	0.8
131.03412	1.0
134.03593	2.4
134.36665	0.5
135.04333	0.8
136.98671	0.8
137.02312	2.3
139.00310	3.5
139.03841	0.9
140.01012	2.5
141.01805	0.8
145.02820	1.7
149.02324	1.7
149.04459	0.8
149.06020	1.1
150.03160	0.7
151.00299	6.2
151.03859	2.2
153.01820	1.9
156.53342	0.7
159.02888	1.2
160.01552	1.2
161.02405	0.8
161.04494	3.0
163.00224	0.7
163.03938	1.1
165.01825	1.0
166.02634	2.6
166.99702	0.8
167.03387	1.0
167.10718	1.1
168.00580	4.5
169.01382	26.7
170.01663	1.3
175.03914	1.2
176.01088	1.2
177.01836	1.7
177.05447	1.3
178.02641	1.3
178.06216	0.8
179.03378	0.6
179.05479	1.0
188.00963	0.8
189.01900	0.9
193.01364	3.0
193.05048	7.0
195.02876	0.6
200.01152	1.3
209.00864	3.1
211.02448	14.7
216.00558	2.1
221.04494	0.7
228.00569	1.2
228.97649	0.8
229.18011	1.8
243.19656	0.7
244.00093	4.1
256.00247	0.8
256.03601	0.6
256.97311	1.8
261.05048	0.6
270.98895	2.6
271.04626	15.9
271.99658	1.7
272.04910	0.8
284.96832	12.4
285.97549	3.6
286.98288	1.4
289.07266	1.7
298.98239	2.3
299.01486	0.6
299.99149	15.0
300.99762	3.2
312.96335	21.3
312.99756	0.9
313.05899	0.8
313.96756	2.3
314.00742	0.6
315.01535	0.8
315.12494	4.6
316.12430	0.7
326.97690	1.1
327.98666	40.3
328.99374	9.0
331.06491	1.3
341.06793	1.0
341.27014	1.6
343.00995	87.0
344.01358	9.0
358.03320	4.6
359.04086	0.7
359.11279	2.4
359.15131	16.2
359.28110	9.9
360.15436	1.4
369.13486	1.4
391.23575	1.3
433.27942	0.9
435.10941	1.7
448.03015	1.7
477.17828	0.9
485.20947	0.8
491.04755	24.5
492.05139	3.6
503.32672	0.8
506.07181	15.3
507.07526	2.5
520.32544	1.5
521.09552	100.0
521.20441	68.1
521.33447	57.1
522.09888	13.3
522.20795	9.8
522.33569	2.4
532.84796	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20179	0.3
59.01263	2.0
60.99192	14.9
63.39264	0.3
69.60214	1.9
69.60623	0.7
71.01275	2.2
73.02834	0.4
75.00757	0.3
77.39065	0.3
83.01277	0.5
85.02866	0.5
87.00758	0.4
88.98701	100.0
89.02332	0.7
89.99026	1.1
90.43179	0.3
95.01289	0.7
96.95924	0.4
101.02364	1.5
107.01315	1.5
111.00804	0.5
113.02337	0.6
116.80619	0.3
123.00812	2.6
124.01592	0.6
125.02364	6.9
126.02701	0.3
136.98735	0.4
137.02367	0.4
139.00313	1.2
139.03896	0.3
140.01074	1.2
141.01814	0.5
151.00279	1.6
159.08144	0.3
161.04494	0.3
163.00328	0.3
167.03468	0.9
168.00580	3.0
169.01387	11.1
170.01665	0.6
211.02466	13.3
212.02824	0.5
227.03426	0.4
255.02966	0.9
255.05310	0.5
263.43719	0.3
271.04651	20.4
272.04962	0.9
284.03320	1.0
285.04080	1.2
313.05603	0.5
329.05579	0.4
331.06699	2.4
391.23059	0.3
431.09946	1.7
521.20441	23.8
521.32336	3.5
522.20691	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	520.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53230	0.9
59.01262	6.1
60.51488	0.8
64.99929	0.8
65.00199	4.1
65.10739	0.9
65.99728	4.0
69.34795	7.9
71.01273	2.7
72.99210	1.0
73.02837	1.2
81.03355	1.1
83.01284	1.5
85.02808	1.0
89.02351	1.7
91.01804	1.1
93.03360	1.3
95.01294	3.3
97.02811	1.3
98.15476	0.9
99.00792	1.6
99.66603	0.8
101.02364	0.9
107.01291	4.7
109.02882	5.2
110.00031	0.7
111.00809	1.3
118.02917	0.9
119.01317	2.0
120.00846	0.9
121.02895	4.2
121.03653	0.9
123.00802	5.5
124.01577	3.7
125.02371	28.1
126.02683	1.4
133.02867	2.2
134.02440	4.2
135.00838	4.0
135.04369	1.0
136.01599	1.8
136.98665	0.9
137.02382	12.7
139.00336	4.2
140.01079	1.6
143.37083	0.9
145.02808	1.2
146.02417	1.8
147.00813	6.3
147.03139	1.1
148.01520	1.2
149.02390	8.7
150.01917	2.4
151.00320	14.8
152.01152	6.6
152.03484	2.3
153.01952	4.3
155.03450	1.1
158.02451	4.9
159.04517	1.7
161.02386	2.6
162.01891	7.8
162.03044	0.9
163.00339	11.6
163.02669	4.4
164.01122	40.6
164.03371	9.7
164.98112	0.9
165.01888	7.5
165.54449	0.8
165.98701	0.9
166.02669	1.2
166.99792	3.2
167.03477	1.0
169.01385	3.8
174.01878	1.9
174.03250	1.0
175.00357	7.0
175.03964	2.3
175.38808	0.8
176.01114	3.9
176.03487	2.8
177.01904	41.5
177.05470	1.5
178.02319	2.4
178.99832	10.7
179.03517	2.2
180.00354	1.3
181.01404	3.1
186.01945	15.1
187.02400	1.6
187.03976	3.5
189.01917	2.2
190.01370	7.2
190.02808	0.8
190.99838	5.7
191.02164	12.7
191.03569	1.5
192.00591	2.5
192.02983	4.2
193.01445	4.0
194.02084	1.1
195.02892	1.2
197.02510	0.9
198.03174	1.0
199.03981	1.4
201.01901	1.1
202.01382	4.6
202.99895	22.4
203.02054	4.4
203.03580	2.8
204.00481	1.4
204.00821	1.7
204.02991	24.3
205.01491	6.1
205.03287	1.8
205.05104	1.7
206.02139	1.3
206.99339	2.9
207.02982	3.5
208.00146	2.1
209.00899	2.6
213.01999	1.2
215.03493	3.1
217.01379	1.9
217.05096	1.6
218.00818	1.7
219.02896	5.0
220.00128	1.0
221.00958	3.8
221.02969	1.2
222.04065	3.1
227.03484	2.6
229.01453	2.0
230.00938	45.0
231.01222	6.8
233.00931	1.2
233.04527	1.9
241.01564	1.1
242.02205	2.8
242.04466	0.9
243.03090	5.7
244.03262	0.9
245.00848	1.4
245.04514	2.5
246.04060	2.3
247.00912	6.1
249.04053	1.4
252.02826	1.1
254.04646	1.1
255.03006	1.5
257.04327	1.8
258.01593	1.2
258.04111	0.9
259.02496	6.7
260.03094	1.6
261.03989	2.3
266.04620	1.4
269.00882	1.3
270.01697	1.2
270.04239	1.9
271.02554	8.0
272.03128	1.9
273.03314	1.0
275.02145	0.9
281.06155	1.1
282.04166	1.6
283.02597	1.3
284.03143	1.2
285.04013	2.4
286.01233	1.7
287.02011	16.9
287.04572	0.8
288.02557	3.9
289.03500	4.3
294.04184	1.8
298.03857	1.8
301.00073	1.6
301.03580	3.5
302.03491	1.1
304.02322	1.8
305.03131	1.3
310.03671	5.7
311.04672	1.1
311.07709	1.2
312.05200	2.7
313.03601	1.1
315.01535	13.5
316.02029	9.0
317.02783	1.9
320.02005	1.0
326.03217	1.3
327.07193	3.3
328.04807	1.7
329.02985	4.1
330.03140	1.8
331.03613	1.1
332.01801	8.4
333.02560	12.5
334.02884	1.0
337.99442	1.4
338.03159	17.1
338.06921	1.4
339.03571	2.3
341.08728	1.7
350.08911	2.0
355.03256	5.2
355.06830	14.2
356.04071	20.9
357.04474	3.3
359.15085	1.0
366.08392	0.8
367.06744	1.4
368.09961	20.8
369.10336	2.5
373.04337	17.4
374.05173	12.9
375.05936	1.3
394.07877	100.0
395.08206	11.4
420.09317	1.0
435.09360	1.1
453.10764	1.5
455.78906	0.9
461.07404	2.4
462.07990	2.3
463.08871	1.6
479.08325	10.1
480.08475	2.0
484.09024	2.3
502.09991	11.5
503.10492	1.5
520.11084	81.2
521.11530	12.4
521.19482	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2742
Annotation	3-Libocedroxythymoquinone
Peak:m/z	Relative Intensity
59.01256	100.0
59.80729	14.8
61.98738	83.2
62.34985	13.0
70.35895	13.6
70.66348	53.7
71.01266	56.7
73.02814	17.6
78.95782	15.6
82.81744	12.7
85.02849	28.5
89.02346	33.5
101.02322	44.5
149.04663	13.8
161.04453	23.4
181.63724	16.5
272.72678	15.7
280.07867	16.5
519.27124	95.4
519.34656	30.4
520.27594	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	519.3186
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.01768	0.6
57.03339	0.4
58.00483	0.3
59.01264	7.7
68.99706	0.2
69.03355	0.1
71.01268	6.9
72.96119	0.1
72.99199	0.4
73.02840	0.8
83.01277	0.8
85.02843	2.5
85.99984	0.1
87.00779	0.7
89.02338	2.4
95.01283	0.6
97.06493	0.2
98.20509	0.3
99.00780	0.4
101.02348	4.0
111.00777	0.3
113.02348	2.0
113.09670	0.1
119.03429	0.7
121.70725	0.2
125.02381	0.2
139.11214	0.3
141.12788	0.2
185.11786	1.7
195.17593	0.1
229.70953	0.2
291.23337	0.2
297.24429	0.5
307.43994	0.1
309.24423	2.8
310.24731	0.3
311.26086	0.2
321.24484	0.3
325.24072	0.4
327.25467	6.8
328.25793	0.7
336.44693	0.1
337.24057	0.2
339.25473	6.9
340.25873	1.0
355.24973	0.4
357.26535	17.5
358.26883	2.6
369.26675	0.2
399.27542	0.3
471.29672	0.3
489.30774	3.0
490.31027	0.5
501.30814	1.3
519.31842	100.0
520.32178	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	519.246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01103	0.5
55.01778	1.0
57.03340	2.1
58.00476	2.4
59.01266	100.0
60.01610	0.9
61.98717	2.8
62.60987	0.5
69.03354	1.9
71.01271	37.7
71.52330	1.3
72.01627	0.6
72.99206	7.1
73.02837	29.3
75.00777	1.5
81.03348	0.9
83.01284	2.4
83.04933	0.7
85.02843	15.8
85.55534	0.6
85.99985	1.6
86.03165	0.7
87.00774	9.3
87.04433	2.7
89.02340	29.7
90.02697	0.7
93.03367	1.0
95.01295	1.6
96.95897	0.6
97.02859	2.1
99.00788	1.2
99.04408	0.9
101.02351	60.6
102.02714	0.9
103.03918	26.4
107.01270	1.2
109.02873	1.3
111.00849	0.7
113.02363	7.6
115.03915	5.1
118.75481	0.6
119.03425	12.3
119.04885	0.6
121.02896	1.3
123.00815	2.7
123.04474	1.4
125.02376	10.6
127.03965	2.1
131.03438	9.2
135.04485	0.7
137.02386	2.0
139.00278	1.4
140.01071	0.6
140.95827	0.6
143.03435	11.8
144.03781	0.6
144.58853	0.6
145.02916	1.2
145.04993	7.3
149.02425	0.9
149.04507	2.6
151.00311	1.1
151.03954	1.4
155.10757	1.5
161.02348	1.3
161.04555	1.8
163.06079	75.7
164.06400	2.7
165.01895	0.9
166.99788	0.9
168.00601	1.4
169.01387	6.1
173.04578	1.1
177.05386	0.7
179.05577	0.7
185.98372	0.7
195.86459	0.6
199.09825	0.7
205.05313	0.8
205.07166	23.6
206.07481	0.5
211.02467	1.2
257.45929	0.6
265.09277	3.2
277.34753	0.6
289.07208	1.0
313.05789	0.7
319.07983	0.6
327.25430	1.7
339.25375	1.4
357.13293	1.1
357.26477	7.0
459.22571	2.6
483.88773	0.7
518.67590	0.7
519.15686	5.7
519.32007	27.2
520.18732	0.9
520.32666	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	519.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	3.2
57.03350	3.3
58.00470	1.6
59.01268	85.1
60.01592	0.9
61.98711	1.3
63.32240	0.7
69.03332	2.2
71.01271	63.5
72.99192	3.3
73.02837	27.1
75.00761	1.1
78.36428	0.7
81.03317	0.8
82.95314	1.5
83.01283	11.6
83.02393	5.8
83.04921	3.8
84.01985	0.8
85.02847	26.7
86.03188	0.8
87.00771	3.7
87.04453	0.7
89.02340	37.1
95.01326	3.3
97.02838	2.9
98.19826	2.5
99.00776	6.0
99.04430	0.7
101.02354	56.2
103.03918	6.6
109.02841	0.7
111.00784	0.9
113.01620	1.4
113.02366	22.0
115.03915	1.9
119.03417	8.1
123.00811	1.2
123.04465	0.9
125.02368	9.5
127.03939	0.9
131.03433	9.4
143.03445	4.9
145.05026	2.1
149.04501	22.9
150.04904	0.9
159.02937	2.7
159.04250	0.8
161.04517	14.2
163.03918	0.9
163.06078	14.8
166.02711	1.2
169.01440	3.7
177.01981	1.0
191.05594	4.3
193.01469	1.8
205.07120	2.9
209.00887	1.5
211.02477	0.9
229.07248	1.2
247.08257	2.7
307.10297	4.1
313.16653	37.6
314.16974	3.0
320.22220	0.8
357.13464	6.8
357.26456	0.9
400.27325	0.8
459.22476	100.0
460.22806	14.2
519.18707	7.7
519.31610	4.8
520.19519	1.0
520.32117	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.2
59.01261	3.8
61.98716	0.5
65.00212	0.2
67.01768	0.4
69.03352	0.3
69.09567	0.2
71.01270	2.6
71.59792	0.2
72.99216	0.6
73.02840	0.3
75.00766	0.2
78.01007	0.1
78.95792	0.2
79.01791	0.2
80.59214	0.2
82.95293	0.3
83.01276	0.5
83.02416	0.6
85.02844	0.8
87.00799	0.3
89.02314	1.1
93.03364	0.4
95.01295	1.0
96.95908	2.1
96.96856	0.3
97.02857	0.5
99.00723	0.2
101.02341	1.0
104.32530	0.2
107.01292	2.8
109.02875	0.4
110.00003	0.3
111.00789	2.0
113.02350	0.6
119.03408	0.4
121.02858	0.3
122.89273	0.1
123.00798	3.0
123.04443	0.2
124.01563	1.5
125.02369	21.8
126.02694	0.5
127.00268	0.9
135.79588	0.2
136.01596	0.4
136.98730	1.4
137.02379	0.7
139.00310	3.0
139.03957	0.7
140.01080	3.4
141.01907	0.4
145.02911	0.3
149.02330	0.4
149.06056	0.2
151.00305	1.4
151.03970	0.9
153.01842	0.2
154.99779	0.4
155.03426	0.3
155.10709	0.6
159.04431	0.3
161.04485	0.4
163.00349	0.3
165.01891	1.1
166.99799	0.4
167.03439	1.4
168.00595	13.8
169.01378	32.5
170.01707	1.2
175.02458	0.2
177.01878	0.3
179.03554	0.2
179.05524	0.2
181.01398	0.3
183.02895	0.5
187.11263	0.8
189.01917	0.3
190.02684	0.2
190.99847	0.2
193.01398	0.4
199.09746	0.2
211.02472	61.1
212.02812	3.0
217.01350	0.2
241.03502	1.5
253.03523	0.2
270.03970	0.3
271.04639	100.0
272.04971	6.1
287.15915	0.2
289.07428	0.2
300.02875	0.2
300.99985	0.6
302.00168	0.2
314.06567	0.2
329.97162	0.2
331.06769	17.7
332.07141	1.5
357.13501	0.9
358.00519	0.3
376.55542	0.3
391.87195	0.2
435.10916	0.4
447.09521	0.3
483.18793	0.6
519.18781	22.8
520.05225	0.4
520.19141	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	519.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31467	0.2
58.00473	0.2
59.00999	0.3
59.01261	3.9
61.98728	0.2
67.01774	0.6
69.03352	0.3
70.72739	0.6
71.01271	2.7
72.99194	0.5
73.02858	0.3
78.95808	0.2
80.54743	0.2
81.03365	0.2
82.95320	0.4
83.01288	0.7
83.02411	0.6
84.89919	0.2
85.02856	0.8
87.00768	0.3
89.02345	0.9
89.18884	0.2
95.01299	0.7
96.05183	0.2
96.95918	1.5
97.02839	0.5
99.00822	0.3
101.02353	0.9
107.01307	3.3
108.01659	0.2
109.02867	0.3
109.99980	0.6
111.00784	2.0
113.02355	0.5
119.03365	0.2
123.00790	2.5
123.04436	0.3
124.01515	1.9
125.02374	22.3
126.02700	0.7
127.00298	0.6
136.01599	0.4
136.98732	1.4
137.02396	0.6
139.00313	2.8
139.03915	0.6
140.01091	3.6
141.01862	0.4
149.02348	0.3
151.00343	1.8
151.03946	0.3
154.99850	0.4
155.10733	0.4
161.02220	0.2
163.00356	0.4
163.03966	0.2
165.01851	0.9
166.99799	0.4
167.03407	1.5
168.00601	14.8
169.01384	34.5
170.01694	1.4
181.01396	0.4
183.02959	0.5
187.11281	0.5
189.01991	0.3
193.01413	0.4
211.02478	64.0
212.02823	3.6
217.01361	0.3
217.24232	0.2
241.03577	1.6
270.03830	0.2
271.04651	100.0
271.57983	0.2
272.04974	6.4
272.07779	0.4
300.99924	0.6
302.00378	0.3
303.00540	0.2
331.06787	18.2
332.07150	0.7
341.06876	0.4
357.13339	1.0
431.55872	0.3
435.10818	0.3
483.18991	0.6
519.18817	22.0
520.19128	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	518.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01274	1.3
61.98705	0.4
71.60114	0.4
78.95795	46.2
96.96867	5.9
115.35666	0.3
144.38422	0.3
150.73552	0.3
150.97960	1.8
152.99527	100.0
153.99855	1.4
171.00595	3.5
240.02744	0.4
253.53926	0.2
277.21774	1.1
309.04108	0.3
350.01498	0.3
431.22122	25.4
432.22388	3.1
444.78052	0.3
500.38937	0.3
518.25378	5.9
518.32117	0.7
519.26044	0.8
519.33081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.5
59.00992	0.4
59.01268	5.9
61.98719	10.1
65.00205	0.7
67.01764	1.8
69.03333	1.2
69.77786	1.8
71.01273	5.1
72.99184	1.1
73.02824	1.4
75.00783	0.6
79.01778	1.5
81.03345	0.3
83.01296	0.9
83.04913	1.6
85.02845	2.2
87.00774	1.1
89.02355	2.1
93.03365	0.4
95.01283	4.3
96.95943	0.4
97.02847	1.5
99.00768	1.5
101.02332	2.3
107.01299	5.6
109.02848	0.6
110.00002	0.6
111.00795	3.7
112.98745	0.3
113.02340	2.4
115.00263	0.3
118.37435	0.3
119.03407	0.4
119.04871	0.3
121.02875	31.2
122.03207	1.1
123.00802	19.4
123.04452	0.5
124.01680	1.8
125.02373	21.6
126.02667	1.1
127.00300	1.2
129.01859	0.4
136.98724	1.6
137.02339	1.2
138.02945	0.3
139.00301	6.5
140.01109	4.0
141.01868	2.4
145.02861	0.9
145.06485	0.6
147.08105	0.4
149.04456	0.5
150.99120	0.6
151.00313	9.8
151.03897	0.6
152.00624	0.4
153.01822	0.6
154.99832	0.9
161.02344	1.0
161.04601	0.5
161.05988	0.5
163.00337	2.3
163.03943	0.7
163.07549	0.3
164.01097	0.4
165.01854	0.9
165.12897	0.3
166.99799	3.8
168.00623	5.2
169.01384	28.4
170.01660	1.2
173.02434	0.5
173.06084	0.9
174.03191	0.3
175.02473	0.7
175.03906	1.0
176.04752	0.5
177.04057	1.7
189.05556	1.0
190.99788	1.0
191.03423	0.4
191.05574	0.6
191.07108	2.2
193.05072	0.4
201.01802	0.6
203.03580	0.5
211.02496	2.2
217.01312	0.5
217.05061	1.4
218.02139	0.4
223.02499	0.5
229.01434	0.7
231.75549	0.4
235.06136	3.4
241.03365	0.5
245.01024	0.5
253.03656	0.4
257.01157	0.5
271.04663	1.2
274.00974	0.4
275.01956	1.5
277.07220	3.8
297.06204	0.9
299.99399	0.4
300.99982	4.7
302.00223	0.8
307.08209	0.6
313.05701	2.2
319.08798	0.4
337.05338	0.6
337.09396	9.2
338.09625	0.6
357.26581	1.1
373.10507	0.3
377.07065	1.2
377.57376	0.4
396.07880	0.6
397.11465	24.7
398.11847	2.8
417.06250	0.4
418.07175	0.9
419.07813	0.7
432.06891	2.0
432.57141	1.0
433.07379	0.5
438.07327	1.7
438.56961	0.7
446.06570	0.7
450.86478	0.3
459.22293	2.8
460.22546	0.5
518.30566	0.6
519.15155	100.0
520.15491	15.2
520.32367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3752
Annotation	Rubianol c
Peak:m/z	Relative Intensity
59.01266	100.0
60.01604	1.2
60.42957	0.2
67.40110	0.2
71.06924	0.4
81.86740	0.2
427.61044	0.2
435.95404	0.2
515.37848	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09115	0.2
58.34068	0.2
59.01267	100.0
60.01601	1.1
60.70488	0.2
63.47173	0.2
70.82921	0.4
70.83248	0.2
80.23359	0.2
93.77318	0.2
163.05457	0.2
242.17532	0.2
266.98779	0.2
517.39362	0.6
526.64240	0.2
535.28046	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.0951
Annotation	Dabrafenib
Peak:m/z	Relative Intensity
59.01260	0.9
67.01769	0.4
69.22235	4.4
71.01265	0.5
72.99210	0.7
78.46770	0.4
82.02877	0.9
85.02823	0.4
93.03358	0.5
93.68491	0.5
95.01283	0.8
100.06631	0.5
102.49491	0.4
109.02859	0.3
111.00770	0.6
116.91638	0.4
117.03365	1.5
119.04919	0.4
119.41065	0.3
121.02857	0.6
123.00797	0.9
125.02364	1.6
129.03416	0.6
133.02878	2.3
137.02385	0.5
139.00339	0.5
145.02887	4.8
147.04446	0.5
157.02937	0.9
161.02400	6.4
163.00314	1.2
163.03961	1.6
166.99808	0.5
169.01404	2.4
171.88077	0.5
173.02425	3.8
174.02840	0.5
175.03938	0.6
189.01921	8.9
190.02518	0.8
191.03450	1.0
201.01926	4.5
203.03497	0.6
216.00601	0.5
217.01421	34.7
218.01813	3.2
229.01498	3.3
244.00159	0.6
245.00941	37.6
246.01257	2.9
247.02451	6.1
248.02777	0.7
263.01968	0.7
271.99759	0.4
273.00473	100.0
274.00797	7.8
288.99896	0.6
291.01541	0.8
299.99216	0.4
300.99915	1.3
316.99576	0.6
354.54626	0.4
367.53571	0.4
409.54544	0.6
452.06250	0.6
518.09521	61.4
519.09790	9.2
519.20996	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61787	0.3
53.66496	0.3
55.96018	0.3
57.03339	10.1
59.01268	16.9
61.98721	1.6
69.03353	0.7
69.61271	1.6
69.61679	0.4
70.58248	0.3
71.01270	2.3
71.04917	0.2
73.02844	0.7
78.95804	0.5
79.07070	0.2
80.28699	0.3
81.03355	3.6
83.01281	13.7
83.04933	0.4
85.02829	0.6
85.68144	0.3
89.02325	0.8
92.50543	0.3
93.03334	0.6
95.04901	0.5
96.95919	4.0
96.96841	1.4
97.02879	0.7
97.06458	0.4
98.20586	0.3
99.04406	0.6
101.02349	1.4
106.39592	0.3
107.01350	0.5
109.02873	2.9
109.06471	0.4
111.00792	0.7
113.02332	0.7
113.18727	0.3
119.03407	0.4
121.02859	0.8
122.03645	0.4
123.00807	0.4
123.04443	1.2
124.01571	0.4
125.02372	100.0
126.02694	3.8
135.04443	0.3
137.02383	13.5
138.02707	0.3
139.03954	0.6
139.11223	4.9
145.02885	4.7
146.03656	0.7
149.02396	5.0
151.00238	0.5
151.03941	1.0
159.04480	2.9
161.02344	1.0
161.04611	0.5
161.06018	1.4
162.03093	0.4
163.11234	0.4
165.01889	0.5
165.09157	0.4
165.12848	1.7
167.03502	0.4
167.10678	0.4
169.01379	1.2
175.04050	0.5
177.05557	0.3
179.03406	0.8
181.12349	2.4
181.15941	5.1
183.04529	0.6
183.10249	5.6
183.13878	5.7
184.10454	0.3
184.14116	0.4
185.06020	1.5
187.04033	1.5
188.04698	0.3
189.12953	0.4
199.13393	1.5
201.05598	1.1
203.07114	2.4
205.05080	0.6
205.15891	0.4
207.13902	9.5
208.14304	0.9
209.06085	0.5
209.11823	1.1
211.04015	0.6
213.01854	0.3
223.17036	2.8
225.11508	1.5
225.14964	4.1
226.15231	0.3
227.07155	1.1
229.05084	0.7
230.02188	0.3
230.05917	0.3
235.17085	0.5
243.12410	24.9
244.12737	1.5
245.08154	2.0
247.16957	1.5
249.14964	4.6
250.15536	0.4
250.35342	0.3
253.05058	3.5
265.18143	5.0
266.18573	0.5
267.16095	0.8
271.06183	13.1
272.06561	1.2
277.18338	0.4
289.07257	7.9
290.07617	0.5
291.16168	2.6
292.16263	0.4
293.14053	7.7
294.14423	0.7
301.00037	0.5
305.14011	0.7
315.15829	0.4
317.14014	2.2
335.15109	2.9
353.16129	64.9
354.16486	7.6
359.14777	0.3
365.16159	2.4
366.16708	0.4
369.17151	0.8
377.16187	3.9
378.16586	0.3
395.17273	3.4
396.17685	0.4
411.18289	0.8
435.18051	0.3
453.18832	0.5
455.18890	0.6
455.26547	0.6
471.20377	1.9
497.19943	0.6
515.21057	29.8
515.28992	1.2
516.21417	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	515.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	29.8
71.01270	27.7
71.59775	3.0
72.99216	3.7
75.00783	2.4
84.34705	2.1
85.02848	7.6
87.00764	3.0
89.02332	32.6
93.03354	7.2
99.00771	3.9
101.02340	13.6
112.98730	10.8
113.02345	11.8
119.03422	9.8
125.02367	3.1
142.99815	10.6
143.03494	2.9
149.04440	2.7
161.04529	6.4
164.88564	2.2
167.31912	2.6
173.00877	9.5
173.04503	14.6
177.05482	3.2
179.05569	20.1
221.04587	3.1
323.09781	5.1
341.10944	100.0
342.11230	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	515.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55019	0.6
57.03344	10.5
59.01268	24.2
61.98733	3.5
69.03345	1.0
69.14138	0.7
71.01278	3.2
71.29873	1.6
73.02834	1.0
78.60410	0.5
78.95808	0.7
81.03349	2.9
83.01280	11.5
83.04936	0.6
85.02871	1.8
85.09914	0.5
87.09201	0.6
89.02334	1.3
93.03378	1.5
95.01269	0.8
95.04943	0.7
96.95927	7.5
96.96864	1.1
97.02868	1.5
99.04450	0.7
101.02354	1.7
107.01289	1.2
109.02877	5.9
109.06454	0.6
111.00803	1.3
113.02382	2.0
115.67791	0.7
119.03440	1.0
121.02884	1.5
122.03679	0.7
123.04459	2.1
125.02374	100.0
126.02690	3.9
135.04413	0.6
137.02386	26.5
138.02779	0.6
139.03998	0.9
139.11223	8.9
145.02898	8.2
146.03616	1.0
148.22694	0.6
149.02377	6.2
151.00305	0.6
151.03958	2.0
159.04483	4.9
159.50027	0.6
161.02415	1.8
161.04628	1.2
161.06024	4.1
164.01064	1.1
165.01892	0.9
165.12685	0.6
169.01384	2.2
174.03094	0.7
175.03943	0.7
179.03499	1.3
180.57219	0.7
181.12341	4.6
181.15886	3.3
182.12625	0.6
183.04533	1.2
183.10240	12.6
183.13846	4.6
185.06027	3.4
187.03967	2.7
199.07724	0.7
199.13402	2.4
201.05562	1.4
203.07114	6.0
205.05110	1.1
207.13931	6.3
208.14243	0.8
209.06035	1.0
209.11891	0.7
211.03969	1.2
223.17012	1.9
225.05606	1.0
225.11374	3.5
225.14983	2.8
227.07143	2.3
229.05095	1.4
230.02200	1.5
230.05846	0.7
243.12416	54.6
244.12778	4.2
245.08209	4.5
247.17081	2.0
249.14952	3.1
249.64113	0.7
253.05087	7.9
254.05435	0.7
265.18170	3.1
271.06198	29.8
272.06418	2.7
289.07251	15.1
290.07544	1.0
291.15997	2.0
293.14078	5.9
301.00024	0.8
305.13962	1.1
317.13919	2.0
335.14938	1.8
353.16153	56.2
354.16422	4.8
365.16113	4.9
369.16861	1.0
377.16101	7.3
378.16568	0.7
395.17081	2.1
409.20438	1.0
411.18256	1.2
453.19226	1.5
471.20404	3.3
497.18961	1.0
515.20007	37.7
515.28668	1.9
516.20544	5.9
516.27966	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	35.6
71.01272	32.5
71.56236	2.3
71.56592	4.6
72.99200	4.9
73.02840	4.2
73.06351	2.5
75.00775	2.8
82.00449	2.5
85.02848	4.4
89.02331	36.3
93.03373	9.8
99.00800	5.5
101.02360	12.0
111.04449	4.5
112.98759	4.6
113.02371	12.0
119.03417	11.8
129.01871	3.4
131.89047	2.4
141.31375	2.9
142.99783	11.4
143.03453	3.0
155.03430	4.1
161.04471	5.2
173.00867	9.0
173.04501	17.9
177.05574	3.9
179.05559	22.5
182.81395	2.7
203.03435	3.6
221.04572	3.1
236.57491	2.6
315.39355	2.6
323.09943	5.5
341.10953	100.0
341.93484	2.9
342.11188	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	514.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92151	0.4
52.25739	0.4
58.80487	0.4
59.01266	3.3
59.20593	0.4
59.28886	0.5
61.98717	7.5
66.69709	0.4
67.01786	1.3
69.03317	0.5
71.01274	3.8
71.56438	0.6
72.99194	0.5
79.01788	0.7
81.03383	0.5
83.01285	0.9
85.02843	1.2
87.00773	0.6
89.02335	2.1
93.03349	0.7
95.01295	2.2
96.95906	0.9
97.02855	0.6
99.00832	0.6
101.02345	2.0
107.01302	3.0
109.02853	1.1
111.00771	2.7
113.02370	1.5
116.05794	0.5
119.03382	0.9
119.04959	1.8
123.00797	12.2
123.04424	0.7
124.01603	0.6
125.02373	15.7
127.00266	0.7
135.04485	0.5
136.98723	1.3
137.02399	1.2
137.06032	1.0
139.00302	4.2
140.01108	2.1
141.01843	2.3
145.02872	0.7
149.02405	0.8
150.03156	0.6
150.54878	0.5
151.00302	9.9
151.03935	1.8
152.00665	0.9
153.01793	0.6
154.99883	0.9
161.02390	1.1
163.00269	1.5
163.04013	0.5
165.01906	0.5
168.00604	4.2
169.01384	20.2
170.01703	0.8
177.01913	0.7
181.04985	0.7
190.99829	0.7
191.03427	0.6
191.05495	0.5
192.47487	0.5
202.67622	0.6
209.97348	0.5
211.02452	3.2
239.42334	0.5
247.02562	1.0
271.04660	4.7
271.09811	0.6
273.00363	0.9
289.07178	1.5
301.00043	1.1
306.13141	0.5
313.05698	1.0
325.03708	0.8
353.02780	0.7
396.03976	0.5
423.12830	0.6
451.12552	100.0
452.12863	14.5
467.17343	0.8
515.08905	1.1
515.17712	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	513.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74158	0.1
55.01784	0.2
56.12236	0.1
57.03352	0.1
58.00506	0.2
59.01264	4.8
69.03350	0.1
70.35265	0.1
71.01268	4.1
71.05625	0.1
72.99182	0.2
73.02839	0.9
75.00778	0.1
78.95795	1.7
83.01292	0.5
83.04922	0.2
85.02843	1.0
87.00766	0.6
89.02341	3.3
91.03916	0.1
94.72819	0.1
95.01306	0.3
96.96898	0.2
97.02864	0.2
99.00786	0.3
101.02348	4.1
103.03947	0.1
106.23267	0.1
113.02359	1.8
115.03909	0.2
119.03429	0.9
125.02377	0.3
127.07585	0.3
131.03441	0.2
131.93207	0.1
133.04958	0.4
143.03441	0.4
145.05087	0.1
149.04520	0.1
152.99527	3.4
157.05081	0.2
161.04504	1.5
169.01422	0.1
171.00594	0.1
179.05617	0.4
182.13133	0.1
233.22853	0.3
235.08224	1.5
253.09334	15.4
254.09706	0.9
259.20758	0.3
275.20184	0.4
277.21783	100.0
278.22128	10.4
280.65240	0.1
335.11823	0.1
431.22253	0.8
432.22665	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	513.308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.4
57.03345	0.2
58.00479	0.3
58.73095	0.0
59.01265	5.8
59.98441	0.1
69.03371	0.1
70.72116	0.1
70.72435	0.1
71.01270	4.0
72.01632	0.1
72.99205	0.2
73.02841	1.0
80.12546	0.1
80.52831	0.0
81.03361	0.0
83.01277	0.6
83.04944	0.2
85.02844	1.0
87.00774	0.5
89.02338	3.3
91.03922	0.1
95.01279	0.3
97.02871	0.2
97.06510	0.0
99.00814	0.2
99.04475	0.1
101.02348	4.0
102.02724	0.1
103.03938	0.1
109.02843	0.0
113.02364	2.1
113.06022	0.1
115.03970	0.1
119.03410	1.0
123.08012	0.0
125.02377	0.2
126.05460	0.0
127.07543	0.3
131.03459	0.1
133.05013	0.3
142.49760	0.0
143.03424	0.4
145.04974	0.1
156.27084	0.1
157.05031	0.2
159.06567	0.0
161.04514	1.6
179.05634	0.4
182.13065	0.0
183.87427	0.1
233.22778	0.3
234.23140	0.1
235.08235	1.4
236.08620	0.0
253.09331	15.6
254.09674	0.8
259.20740	0.3
275.20215	0.3
277.21780	100.0
278.22122	10.7
415.74451	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	513.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	3.5
59.01265	60.2
60.01608	0.7
61.98720	4.5
65.00214	0.6
67.01790	1.0
69.03345	1.6
69.90715	1.8
71.01270	8.4
72.99207	0.9
73.02842	1.1
73.40627	0.3
75.00760	0.5
79.31371	0.3
81.03352	0.5
83.01289	1.0
83.04918	0.6
85.02855	2.7
87.00766	0.9
88.90279	0.3
89.02336	8.5
91.01803	0.4
93.03397	0.5
95.01295	2.7
96.95924	0.7
97.02880	1.0
97.06489	1.5
99.00800	1.1
99.04451	0.3
101.02349	5.0
107.01305	1.3
107.04934	0.4
109.02859	0.7
111.00813	1.3
111.08073	0.4
113.02365	3.9
115.00291	1.2
119.03427	3.6
123.00801	2.7
123.08076	4.9
124.01657	0.4
125.02371	5.5
125.09625	0.4
126.02734	0.4
129.01796	0.3
129.03323	0.3
131.03436	0.5
133.06483	0.4
135.02882	0.4
135.04477	0.9
135.08043	0.4
137.02376	1.4
137.09621	0.8
138.06847	0.4
139.00287	2.5
140.01163	0.8
141.01871	0.4
143.03432	0.8
145.02911	0.8
146.84296	0.3
149.02419	0.5
149.04492	0.6
149.05972	0.5
149.09694	1.2
151.00336	1.4
151.03938	0.5
151.07605	2.7
154.99823	0.4
155.10713	1.0
159.02953	0.6
159.04410	0.3
160.08894	1.6
161.02481	0.8
161.04510	3.0
161.05940	0.4
163.00325	4.1
163.03960	0.6
164.00774	0.4
164.08382	5.0
165.01884	0.7
165.09088	0.9
166.99861	0.8
167.03439	0.5
168.00661	1.0
169.01410	5.0
170.01729	0.5
173.02370	0.4
175.02437	1.4
175.03885	0.7
175.07613	0.6
177.01921	0.5
177.12729	0.3
179.03983	0.4
179.05574	3.6
179.10609	0.4
185.00929	0.6
185.02477	0.4
187.11282	0.4
189.09288	0.6
190.02669	0.7
190.99820	1.5
191.03397	0.5
200.12061	0.7
201.01866	0.7
203.03542	0.6
203.10713	0.8
203.14415	0.8
209.00945	1.0
217.01395	0.8
219.02939	0.5
219.17494	0.4
221.15399	0.5
227.14355	0.4
229.01442	1.1
229.15981	2.0
231.03084	0.5
231.17688	0.4
245.00929	0.7
247.02448	0.5
247.17126	1.3
249.18636	1.2
255.17824	0.4
257.00925	0.5
257.15552	0.6
258.01703	0.6
263.20209	2.1
273.00497	0.9
273.18668	13.7
274.01096	0.7
274.19070	1.3
275.01959	2.3
275.16547	2.2
283.99768	0.4
289.07089	0.4
291.19730	100.0
292.20053	10.1
299.99139	0.4
300.99948	7.6
302.00378	0.8
308.16257	2.0
309.16788	0.4
312.99933	0.6
329.02606	0.4
343.04544	0.9
351.42987	0.3
371.06900	2.3
371.57230	0.7
384.06122	0.5
390.07846	1.0
398.07266	0.5
412.07169	1.0
413.08002	0.8
418.07349	0.6
418.57196	0.4
426.07117	4.0
426.12363	0.6
426.57230	1.3
426.67068	0.4
427.07297	0.4
432.07104	2.5
432.57126	0.5
433.07764	0.4
436.56870	0.4
440.06772	1.1
453.24411	1.4
477.08524	0.4
513.08002	1.7
513.23047	4.4
513.58124	1.4
514.24084	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31373	0.3
57.03342	0.7
58.00477	0.8
59.01265	100.0
60.01602	1.3
61.98725	4.9
62.25623	0.4
69.36385	3.4
71.01274	13.8
72.99195	1.2
73.02849	0.6
83.01268	0.5
85.02847	2.4
87.00802	0.8
88.98076	0.4
89.02338	17.9
90.02714	0.4
91.92240	0.4
95.01289	1.1
98.19826	0.6
101.02354	7.6
104.82986	0.4
113.02361	4.6
119.03423	6.5
125.02390	1.0
131.03438	0.9
143.03465	1.3
149.04541	1.2
153.87990	0.4
161.04480	2.4
168.00462	0.5
169.01401	0.4
179.05618	3.0
280.24707	0.4
375.08606	0.4
381.22885	0.8
513.27466	3.6
514.27716	0.7
535.09180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47821	3.1
55.01789	3.0
58.00511	5.0
59.01263	100.0
61.98719	44.4
71.01273	74.1
71.61641	3.7
72.99208	7.3
73.02839	18.3
75.00780	4.0
83.01270	6.2
85.02831	19.4
87.00750	3.6
89.02335	69.1
93.27650	3.0
95.01303	4.1
97.02864	3.1
99.00777	19.0
101.02351	55.9
113.02358	26.1
119.03434	11.0
125.02360	7.4
131.03438	18.1
143.03510	3.2
148.79382	3.8
149.04494	55.9
161.04503	13.3
168.08008	2.9
182.35339	3.3
191.05580	11.3
203.72913	3.4
264.13678	2.7
315.19531	5.5
381.22916	11.3
402.67252	3.3
510.58994	3.9
513.22131	24.9
513.28741	35.6
514.22058	4.7
514.28363	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03072	0.3
55.01117	0.3
55.01769	0.3
55.94886	0.3
59.00988	0.5
59.01263	5.3
61.98716	5.0
63.10326	0.3
65.00195	0.6
66.57485	0.3
67.01755	1.4
68.99674	0.7
69.03336	1.2
69.36652	2.2
69.37079	1.2
71.01271	4.7
72.99190	1.0
73.02825	1.5
78.95774	0.4
79.01778	1.6
80.96394	0.8
81.03355	2.1
83.01284	3.7
85.02846	2.5
87.00751	0.8
89.02319	1.0
93.03346	1.7
95.01280	3.1
95.04939	2.1
96.95912	1.7
97.02863	3.8
99.00763	0.7
101.02363	2.8
107.01286	3.9
108.02088	0.7
109.02861	12.0
110.03183	0.5
111.00791	3.9
111.04427	0.6
113.02379	1.9
117.03342	0.4
119.03312	0.3
121.02859	2.4
122.03665	0.7
123.00805	19.2
123.04441	8.0
124.01621	0.7
124.04707	0.4
125.02369	38.8
126.02747	1.6
127.00271	1.1
131.04971	0.4
133.02869	0.5
135.03468	0.4
135.04453	2.6
136.98743	1.4
137.02376	11.1
138.03117	0.8
139.00313	6.4
139.03937	2.2
140.01103	4.2
141.01880	3.2
145.02882	3.4
146.03636	1.0
147.04364	0.8
149.02390	3.5
150.03145	0.7
151.00319	12.9
151.03947	5.7
152.00728	0.8
153.01877	1.6
154.02588	0.4
155.10695	1.3
157.06612	0.4
158.03691	0.3
159.04459	3.0
160.05208	0.6
161.02361	1.7
161.06042	3.5
162.03148	0.7
163.00249	0.7
163.03925	1.4
164.01166	1.9
165.01903	2.2
166.02592	0.7
166.99747	0.7
167.03448	16.4
168.00568	4.2
168.03790	0.5
169.01376	27.0
170.01683	1.4
173.06067	0.5
174.03188	0.4
175.03954	1.1
175.07579	1.0
177.01863	0.6
177.05540	0.4
179.03481	3.4
180.04089	0.5
181.05023	1.0
182.05821	4.4
185.06013	1.1
187.03966	3.3
188.04832	1.7
189.01862	0.6
193.01416	0.7
195.02988	0.3
199.07625	0.7
199.09671	0.6
199.13327	1.0
201.05551	1.2
202.06305	1.2
203.03528	0.5
203.07130	7.4
204.07422	0.6
205.05057	3.4
209.06071	0.3
211.02452	1.4
212.04839	0.3
221.08235	1.1
226.04829	11.0
227.05247	0.7
227.07079	2.1
229.05070	0.9
241.07198	13.4
242.07660	0.7
245.08211	9.0
245.10736	0.6
246.08551	0.7
247.06133	0.6
253.05247	1.6
257.03912	0.4
270.99063	0.4
271.06308	5.9
272.06519	0.6
274.62387	0.3
275.02078	0.5
286.92020	0.3
287.05798	0.6
289.07245	46.9
290.07596	4.1
300.99997	0.8
313.05759	1.8
351.14554	0.7
361.18781	5.1
362.19241	0.4
451.10355	0.9
453.14417	0.8
513.19928	100.0
514.20276	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	511.2923
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
57.03318	0.4
59.01267	2.1
61.98718	2.2
63.33958	0.3
66.97541	0.3
68.46935	0.3
69.36301	2.8
71.01258	0.8
71.04908	0.4
80.02568	1.1
81.03342	1.7
83.01276	0.4
83.04913	5.2
84.02061	1.0
93.03341	0.9
95.04942	1.2
97.06474	0.4
109.06504	0.6
111.04446	0.4
118.20461	0.3
123.08070	0.7
125.02379	0.8
125.06028	0.5
125.09628	1.8
135.08087	1.3
149.09627	1.0
163.11243	4.5
165.12802	2.6
166.13214	0.3
169.01468	0.5
171.10225	24.9
172.10550	1.4
181.12411	0.7
185.11844	1.9
191.10754	0.8
203.14421	0.4
207.10165	0.4
209.11821	100.0
210.12160	6.2
219.13855	0.6
221.11861	1.2
223.13515	1.4
227.10725	0.6
227.12892	9.5
228.13333	0.6
229.12401	0.6
231.13943	0.6
237.15056	0.4
239.13013	0.4
244.15506	0.3
247.13423	8.0
248.13708	0.4
249.15015	0.4
265.14542	2.3
321.17075	0.5
339.18311	0.4
357.20959	0.4
375.21814	1.1
375.25830	0.6
383.22351	0.4
401.23486	1.1
419.24591	1.0
431.24564	0.5
449.25400	2.8
450.26013	0.4
457.26056	0.6
475.27106	2.8
476.27325	0.4
493.28186	2.4
494.28064	0.4
511.29132	3.1
511.62292	0.4
512.29333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	3.6
57.03346	2.8
57.69487	0.5
58.00473	0.8
59.01269	54.8
60.01602	0.9
61.98724	6.8
62.12276	0.4
69.03337	0.8
71.01271	32.5
71.48692	0.6
72.01616	0.6
72.99197	2.2
73.02840	16.0
74.03162	0.5
74.41129	0.5
75.00773	1.0
80.67518	0.5
81.03365	0.6
83.01285	12.4
83.04921	2.5
85.02344	1.1
85.02848	19.0
85.37622	0.5
86.00004	1.2
87.00768	2.0
89.02329	6.5
93.60950	0.4
95.01276	2.0
97.02839	1.2
99.00776	7.5
99.04380	0.7
101.02351	40.7
102.02685	0.8
103.03923	1.5
107.67371	0.5
110.37865	0.4
111.00796	1.6
113.02362	14.6
119.03428	1.5
123.00811	0.8
125.02364	4.7
129.01862	1.0
131.03394	1.0
141.12837	0.5
143.03418	1.8
149.04475	0.9
151.00308	0.6
159.02959	2.7
161.04495	9.0
162.04803	0.5
163.06039	1.2
165.01828	0.5
169.01427	2.7
171.10162	0.8
209.11797	4.1
210.12032	0.5
247.08275	0.6
254.95837	0.5
272.57440	0.6
287.20309	0.8
289.07217	0.6
289.18198	2.0
290.60925	0.6
301.00134	0.9
301.03528	0.5
305.19760	58.2
306.20172	5.1
349.19638	1.0
355.78696	0.6
448.09824	0.6
451.25598	100.0
452.25928	13.6
511.16998	1.5
511.26431	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	511.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.3
58.00457	0.2
59.01267	4.3
61.98721	2.2
65.00208	0.3
67.01781	0.7
69.03342	0.6
70.17953	0.5
70.18321	1.2
71.01276	4.5
72.99198	0.5
73.02840	0.6
75.00797	0.5
79.01772	0.6
83.01286	1.3
85.02836	1.9
87.00792	0.5
87.04408	0.3
89.02357	1.5
93.03359	0.3
95.01305	1.2
97.02849	1.0
97.06499	0.6
99.00769	0.5
101.02345	2.6
107.01302	5.0
109.02855	0.3
111.00796	1.5
113.02364	1.3
115.92243	0.2
119.03452	0.3
123.00802	7.1
123.01678	0.5
124.01627	1.0
125.02368	33.4
126.02733	1.3
127.00291	0.4
136.98741	0.8
137.02394	0.7
139.00302	2.6
139.03964	0.6
140.01088	2.6
141.01834	1.1
145.02852	0.3
149.02354	0.5
151.00317	5.0
151.03940	0.4
152.00934	0.2
153.01862	0.6
153.12787	6.0
154.99820	0.3
161.04465	0.4
167.03444	0.7
168.00591	6.1
169.01381	52.9
170.01698	2.2
177.04012	0.8
179.10728	2.5
181.01421	0.4
193.01407	0.3
197.11810	2.0
211.02475	20.6
212.02815	1.1
223.02422	0.3
241.03487	2.0
253.03558	0.7
271.04651	19.7
272.05045	1.5
305.19763	0.9
313.05725	10.6
314.05899	0.9
329.05194	0.3
331.06830	0.5
349.20181	0.3
451.25360	1.7
483.12897	0.4
511.18295	100.0
512.18658	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	511.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83009	0.6
59.01266	10.7
61.98714	4.5
68.69066	0.5
71.01273	6.6
71.59496	0.9
72.99176	0.5
73.02837	1.6
73.59386	0.5
80.96385	1.4
81.03380	0.9
85.02847	2.9
87.00778	0.6
88.98714	1.3
89.02348	6.3
89.65485	0.5
94.98009	0.6
95.01299	1.8
97.02879	0.9
99.00787	4.8
99.04485	1.0
101.02350	5.5
103.03922	1.2
107.01283	0.8
107.42750	0.7
109.02861	1.2
111.00808	0.8
113.02348	1.8
119.03437	2.1
119.04920	0.7
123.00807	2.5
123.04422	0.6
124.98754	0.8
125.02366	6.7
131.03468	1.3
137.02377	1.1
139.00343	1.3
143.10710	6.8
145.02885	1.3
147.00879	0.6
149.04527	1.6
151.00285	1.1
151.67230	0.6
153.01875	0.7
161.04494	1.2
162.03171	1.1
162.99109	0.6
163.00223	2.8
163.03928	1.0
163.06131	1.8
164.98558	0.8
165.01904	0.7
166.99716	0.8
167.03445	0.8
168.00648	1.7
169.01405	8.3
175.00333	1.5
176.01082	0.9
177.01855	1.1
177.05507	0.6
179.05688	0.6
184.28447	0.6
187.00302	1.1
188.01080	0.6
189.02017	0.6
190.02748	1.1
190.99861	2.1
191.03499	0.7
201.01933	1.1
202.99876	2.0
203.03476	0.8
204.00641	1.2
205.01422	1.1
206.02214	2.1
209.74571	0.6
211.02556	0.9
214.99907	2.0
216.00652	3.4
217.01392	1.1
218.02219	1.2
218.99348	4.4
219.02943	1.5
220.00114	0.6
225.00880	0.7
229.01469	1.3
229.98633	0.9
230.02208	1.5
230.99358	5.5
231.03020	0.9
232.00116	2.1
233.00925	0.6
234.01695	3.1
242.99490	1.6
244.00182	3.3
245.00940	1.6
245.04756	0.9
246.01738	2.6
246.98883	1.9
247.02524	2.2
249.04129	3.9
257.01120	1.2
257.98065	0.9
258.01620	0.8
258.98935	4.6
259.02396	1.2
259.99695	2.7
261.04105	0.8
262.01105	1.4
270.98825	0.6
271.04700	1.2
271.99796	2.6
273.00479	1.9
273.04047	1.3
274.01300	3.4
274.95422	0.9
274.98462	18.9
275.02060	8.4
275.98883	1.7
285.97498	0.9
286.98615	0.8
287.02118	1.6
287.99200	1.0
289.00027	4.3
289.03616	2.7
289.06931	0.9
289.16757	0.9
290.00797	5.8
290.04425	4.3
290.07391	0.8
291.04996	1.1
298.38422	0.6
299.99210	2.5
301.00046	4.7
302.00586	1.8
302.97952	4.7
303.01547	2.8
303.98715	1.1
304.02255	1.6
304.99448	2.3
305.03174	3.4
305.06870	4.6
307.10513	1.2
313.05899	3.0
315.01599	3.1
316.02155	1.0
316.99484	1.5
317.03168	4.5
318.00266	9.8
318.03751	1.1
319.00995	2.8
319.04565	1.2
320.01678	0.8
331.15738	0.7
333.02591	42.0
334.03027	4.6
335.04163	1.3
347.04370	1.1
348.04892	2.2
349.05673	6.3
350.05923	0.8
394.05615	1.2
397.07562	0.9
437.07129	1.0
438.04556	1.1
439.46744	0.7
448.10147	1.3
449.14780	2.3
451.22549	0.7
451.29367	2.3
453.06860	1.9
464.05823	0.9
465.07053	0.9
466.04230	2.5
479.08447	6.6
480.09134	1.2
480.17453	0.6
481.05704	23.2
482.06955	2.6
496.01367	1.5
496.08722	26.4
497.09171	3.3
511.11145	100.0
511.18552	11.0
512.11523	15.5
512.19067	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17064	0.3
57.03318	0.6
59.01266	5.0
61.98718	17.4
71.01268	2.0
71.59538	0.5
72.99191	0.5
83.01244	0.7
84.29139	0.3
85.02810	0.9
87.00738	0.4
89.02299	1.3
92.77184	0.3
93.03342	0.4
95.01257	0.8
96.95879	1.1
99.00708	0.4
101.02357	1.9
107.01231	0.5
109.02831	0.5
111.00769	0.6
113.02332	0.6
113.24855	0.3
116.43082	0.3
117.03300	0.4
119.03407	0.4
123.00780	3.0
123.04458	0.6
125.02362	4.5
127.00317	0.4
137.02351	1.5
139.00275	0.8
140.01059	0.4
141.01825	0.6
145.02805	0.8
147.04388	0.4
151.00264	1.3
151.03873	0.4
161.02316	0.5
161.04462	0.8
163.00227	0.8
163.03984	0.6
163.25151	0.4
168.00519	0.7
169.01379	4.0
177.01877	0.6
211.02603	0.6
254.99339	0.5
257.00955	1.0
269.98062	5.4
270.00470	0.5
270.98611	0.6
271.06332	0.4
285.00504	8.9
286.00974	0.8
289.07300	0.8
289.18207	2.0
297.97601	24.4
298.98065	2.3
299.01279	0.5
301.00153	1.7
301.02942	0.4
305.38025	0.4
312.99976	48.3
314.00378	4.7
327.01306	0.6
328.02313	51.6
329.02777	6.7
343.04660	100.0
344.04962	9.8
413.80682	0.4
448.09760	0.6
451.23401	2.4
461.07275	2.9
507.83405	0.4
511.22089	11.1
512.06464	0.5
512.22260	1.7
514.99750	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
66.82864	11.8
69.96994	52.9
89.76337	10.7
98.20522	23.2
255.33331	12.1
261.45911	13.5
281.24957	11.9
341.91150	13.5
473.36670	62.2
509.33948	85.5
510.34058	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	510.09
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98717	16.0
63.02268	0.5
65.00220	1.1
69.33978	0.5
69.34389	3.2
72.52444	0.4
83.01260	0.5
90.65972	0.4
93.03361	0.8
107.01296	3.0
108.02142	0.7
109.02879	1.8
121.02854	2.9
122.01761	0.3
123.00856	0.5
125.02350	0.7
129.50066	0.4
135.00792	0.4
135.01915	0.3
137.02408	0.5
139.03918	0.4
148.01579	0.7
149.02272	0.6
151.00307	13.0
152.00612	0.6
161.61646	0.3
163.00342	3.8
164.00981	0.7
169.01357	0.9
178.99837	7.8
180.00145	0.5
190.99879	0.7
192.00662	0.6
193.01405	0.4
194.00928	0.5
201.05588	0.5
211.03969	1.1
226.02777	1.2
227.03560	2.0
228.04176	0.6
229.04987	1.0
239.03506	0.5
243.03017	6.7
244.03514	0.6
245.04584	2.4
254.02287	1.9
255.03015	20.4
256.03503	1.7
261.82455	0.4
271.02536	39.1
272.02982	4.5
273.04102	1.3
283.02527	2.4
299.02066	1.2
300.02820	87.8
301.03555	66.5
302.03928	6.1
361.67215	0.4
447.09415	100.0
448.09750	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	1.3
57.03334	1.5
58.00478	2.7
59.01263	100.0
60.01610	1.3
61.98720	2.4
65.02862	0.6
69.03347	1.5
70.64011	1.0
70.64391	1.3
71.01268	39.3
72.99207	4.1
73.02834	27.9
75.00765	0.7
81.32365	0.7
83.01291	3.5
85.02840	13.8
86.00006	1.1
86.03138	0.7
87.00771	9.1
87.04408	25.6
88.04752	0.8
89.02335	33.0
95.01288	1.1
97.02870	1.9
99.00809	1.1
101.02345	56.2
102.02713	1.6
103.03912	19.8
104.04325	0.8
109.02885	0.9
111.00764	0.7
113.02352	7.3
115.03936	6.3
119.03407	12.6
125.02393	4.1
127.03922	1.0
130.79128	0.6
131.03427	12.1
133.05051	0.7
137.02396	0.8
143.03432	13.3
145.05002	6.7
149.04459	0.9
161.04489	1.9
163.06067	84.5
164.06424	2.5
169.01357	1.7
179.05602	3.4
205.07161	25.8
206.07553	1.4
211.02467	1.7
215.05428	0.6
265.09360	7.5
267.39883	0.5
270.98883	0.9
271.04651	2.7
287.16776	0.7
303.18115	1.2
325.11392	1.5
421.21103	1.3
447.09271	1.2
449.24014	29.5
450.24362	4.8
509.20001	0.7
509.26459	4.6
509.36017	1.8
510.26776	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11795	0.2
57.03324	0.3
59.01268	3.0
61.98719	3.7
68.99776	0.2
69.49623	2.2
71.01283	2.3
72.99200	0.6
73.02845	0.7
83.01288	0.6
85.02834	0.8
87.00773	0.4
89.02350	1.1
93.03365	0.4
95.01270	0.4
99.00784	0.3
101.02357	1.6
101.12347	0.3
107.01361	0.3
109.02875	0.7
113.02356	1.0
115.01791	0.3
117.03365	0.6
119.01340	0.4
119.03445	0.5
119.04946	0.7
123.00803	0.5
123.04438	0.6
124.01542	0.2
124.96651	0.2
125.02377	3.1
131.01334	0.9
137.02373	2.2
139.00270	0.3
140.01085	0.3
143.01384	0.4
145.02895	2.6
147.00818	0.7
149.02336	0.3
151.00337	0.3
151.07785	0.3
159.00819	1.4
161.04482	0.6
161.05847	0.2
163.03954	0.9
163.89037	0.2
166.48608	0.3
168.00591	0.3
169.01436	1.3
171.00795	1.4
172.01628	1.4
175.04019	0.4
187.00374	4.0
187.03923	0.5
188.00900	0.4
199.00342	1.6
200.01094	0.9
202.99966	0.4
203.07140	0.3
213.14944	1.6
214.99876	8.5
216.00531	1.4
224.10587	0.3
226.99820	0.6
228.00658	1.6
242.99390	26.0
243.99913	2.7
254.99374	0.3
261.07852	0.4
270.98911	100.0
271.99301	9.6
282.98950	1.1
283.99811	0.3
289.07303	1.3
298.01447	0.4
298.98404	97.7
299.99118	44.5
300.99695	5.8
303.18454	0.5
313.05551	0.4
356.56171	0.4
366.29568	0.2
421.19116	1.1
432.56876	0.8
433.06604	0.3
447.09360	0.6
448.22971	0.8
449.23505	1.0
471.13052	0.7
509.07370	47.8
509.20529	4.5
510.00421	0.5
510.07684	7.8
510.20264	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35596	0.1
55.01774	3.4
57.03080	0.3
57.03339	3.2
58.00479	1.0
59.01265	17.0
60.01605	0.3
61.98709	0.7
62.69072	0.1
67.01780	0.2
68.99703	0.4
69.03340	0.6
70.36139	0.5
70.36494	0.3
71.01271	32.0
71.04910	0.2
72.01607	0.8
72.99198	1.6
73.02836	11.8
74.03178	0.2
75.00768	0.7
83.01279	7.3
83.01779	0.4
84.02055	0.2
85.02843	18.6
85.99989	0.7
86.03182	0.5
87.00765	1.8
89.02332	3.4
95.01292	3.0
97.02845	0.8
99.00784	4.7
100.01118	0.2
100.41792	0.2
101.02348	26.6
102.02685	0.7
111.00060	0.3
111.00793	4.0
113.02357	12.5
114.02712	0.5
119.03394	0.9
123.00792	0.2
125.02370	1.3
129.01886	1.3
131.03384	0.4
137.02362	0.2
139.00291	0.3
141.01909	0.6
143.03452	1.0
143.30791	0.2
159.02939	3.1
161.04509	9.0
162.04829	0.5
169.01398	0.4
171.63156	0.2
179.05563	0.4
205.03471	0.5
218.69005	0.2
219.70122	0.2
223.19286	0.2
281.24905	0.3
297.24481	0.4
299.26001	2.2
327.29153	0.3
344.28317	0.2
345.26456	0.3
345.30154	7.1
346.30566	0.9
359.28137	0.4
432.12106	0.2
507.35480	100.0
508.35837	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	2.8
57.03337	3.0
58.00483	1.2
59.01268	18.7
61.98723	2.4
69.03337	0.8
70.74876	1.1
71.01275	40.0
71.87945	0.4
72.01598	0.6
72.99197	1.5
73.02840	12.9
75.00764	0.9
78.95755	0.4
83.01279	7.1
84.69189	0.3
85.02850	18.9
86.00020	0.7
86.03175	0.7
87.00778	1.8
87.04395	0.4
88.98708	0.8
89.02345	6.3
95.01291	2.8
97.02894	0.9
99.00789	5.6
101.02357	31.4
102.02682	0.5
111.00792	2.1
113.02365	15.0
114.02736	0.6
115.02365	0.3
119.03439	1.9
125.02367	2.0
128.83333	0.3
129.01846	1.5
131.03403	0.5
141.01871	0.5
143.03426	1.3
149.05997	0.4
150.06677	0.4
159.02922	3.5
161.04514	10.7
162.04834	0.5
169.01454	0.6
179.05635	0.4
195.99687	0.4
207.98380	0.4
251.23790	0.9
267.23410	3.7
281.25046	0.5
287.58157	0.4
299.26004	1.6
300.99655	0.4
311.22537	0.5
313.27573	0.8
315.45236	0.4
345.24524	1.7
345.30161	16.1
346.30597	1.6
408.52548	0.4
447.29636	0.7
507.35507	100.0
508.35849	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	507.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85398	0.1
55.01517	0.2
55.01774	3.3
55.31006	0.1
56.77748	0.1
57.03338	3.0
57.11049	0.1
58.00484	0.7
59.01267	16.4
60.01589	0.2
61.98444	0.1
61.98721	1.0
67.01830	0.1
68.99693	0.4
69.03346	0.7
69.30861	0.6
69.31289	0.7
71.01270	30.0
72.01604	0.5
72.99200	1.4
73.02836	12.1
74.03179	0.2
75.00759	0.8
78.95776	0.1
81.64867	0.1
83.01277	7.0
84.01609	0.1
84.02049	0.2
85.02844	17.9
85.99983	0.8
86.03175	0.4
87.00780	2.2
88.35690	0.2
89.02340	2.4
93.03348	0.2
95.01289	2.9
97.02843	0.8
98.20583	0.3
99.00781	5.1
99.04417	0.2
99.08078	0.3
101.02347	27.1
102.02701	0.6
111.00793	4.2
113.02358	11.7
114.02702	0.3
117.10495	0.1
118.96620	0.1
119.03426	0.5
123.08143	0.2
125.02380	1.0
129.01874	1.1
131.03416	0.4
136.75110	0.1
138.56154	0.1
139.00302	0.1
141.01866	0.6
143.03433	0.9
143.10715	0.8
159.02934	3.0
161.04504	7.2
162.04819	0.2
169.01407	0.4
193.06508	0.2
197.15428	0.9
205.03503	0.2
257.19391	0.2
267.13977	0.4
281.24893	0.2
283.17102	2.8
283.22809	0.4
284.17468	0.4
288.87476	0.1
299.25958	1.9
301.18018	0.2
327.29175	0.2
331.35599	0.1
345.17001	0.2
345.26810	0.3
345.30173	6.6
346.30466	0.8
359.28027	0.7
387.31134	0.2
426.12415	0.1
507.35516	100.0
508.22961	0.5
508.35873	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	507.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55858	5.1
59.01256	16.9
59.17003	4.5
59.56397	4.3
66.74622	4.5
79.72571	4.7
82.31720	4.9
90.07145	4.7
99.23834	5.0
127.38966	5.5
138.20955	5.5
189.29630	4.9
283.26648	7.2
341.47421	5.8
413.38422	5.6
507.32358	100.0
508.32907	18.5
529.77356	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	507.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64219	0.4
56.07978	0.3
59.01265	1.8
61.98714	0.7
78.95371	0.6
78.95795	8.7
95.84129	0.4
96.96828	0.6
99.73401	0.4
100.61041	0.4
133.14516	0.4
136.33569	0.5
149.59618	0.5
152.99533	14.3
164.84946	0.3
166.83617	0.4
171.00560	1.3
227.03296	2.4
245.04395	1.8
261.22308	0.5
279.23343	100.0
280.23694	11.1
507.27371	35.3
507.33228	1.1
508.27698	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	507.246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88444	0.5
55.01760	2.0
57.03339	2.8
58.00474	1.7
59.01266	43.1
60.01605	0.8
61.98729	1.0
69.03345	0.8
69.56293	1.8
69.56709	1.3
70.82809	0.4
71.01270	35.9
72.01620	0.7
72.99190	1.7
73.02835	9.7
75.00749	0.9
83.01284	4.8
85.02342	0.8
85.02844	12.7
87.00781	2.2
89.02338	19.5
93.03366	0.4
95.01286	1.9
97.02832	1.5
98.19763	0.5
99.00775	4.2
101.02351	24.1
107.01274	0.4
110.45138	0.4
111.00797	2.8
113.02357	12.5
115.03903	0.7
119.03404	1.7
123.00748	0.5
125.02363	4.1
129.01852	0.5
131.03439	9.2
132.05573	0.4
137.02353	1.8
139.00162	0.4
143.03421	1.5
149.04492	4.1
159.02937	1.8
161.02458	0.5
161.04510	9.2
169.01353	0.9
177.06499	0.4
191.05618	1.2
233.06779	1.1
301.00043	0.7
302.00418	0.4
315.18176	12.1
316.18423	1.2
420.06638	0.4
447.22427	100.0
448.22784	13.5
507.15082	0.8
507.22415	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.9
55.29750	0.4
57.03331	1.4
58.00469	1.4
59.01266	44.3
60.01590	0.7
61.98712	2.3
66.06754	0.5
69.03330	0.5
69.76242	0.4
71.01274	39.1
72.99203	4.0
73.02832	3.0
78.95803	0.5
80.58126	0.5
83.01295	2.7
83.04894	0.5
85.02843	8.3
87.00763	2.6
88.98655	0.6
89.02343	42.5
90.02657	0.5
95.01302	2.5
97.02855	0.6
99.00781	1.0
99.38743	0.4
101.02351	25.4
102.02692	0.6
111.08047	0.5
113.02361	16.8
119.02570	1.0
119.03423	18.7
120.03741	0.5
125.02352	1.9
131.03392	2.8
143.03448	4.4
149.04480	2.3
149.34520	0.5
159.02977	0.5
161.04507	7.3
162.04875	0.5
169.01418	0.8
175.11099	0.6
179.05589	17.0
180.05969	0.5
185.06052	1.2
199.07643	3.0
199.11206	3.2
200.11577	0.7
201.09308	2.3
213.09235	1.5
213.12848	0.6
221.85709	0.4
225.09210	0.5
232.07524	1.3
239.14320	0.9
241.16043	1.0
251.10727	0.9
257.19141	5.0
265.12369	0.5
267.13965	86.0
268.14307	9.0
283.17105	82.5
284.17435	8.7
300.99985	0.6
301.18185	5.9
302.18655	0.6
309.14938	2.6
311.22385	0.7
325.18231	0.5
327.16092	42.1
328.16434	5.3
345.17151	100.0
345.30096	3.5
346.17484	11.5
369.17169	1.5
381.06332	1.0
382.06284	0.5
387.18353	2.3
447.29831	0.8
506.30496	0.6
507.22974	9.4
507.35941	14.4
508.22623	1.2
508.35828	1.3
523.87689	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	3.1
57.03332	3.6
58.00484	3.3
59.01266	100.0
60.01607	5.8
61.01690	2.0
61.98712	4.8
69.03332	0.9
71.01272	96.2
71.04916	0.9
71.58691	1.3
72.01620	6.8
72.99191	8.5
73.01696	2.5
73.02838	11.7
74.03175	1.3
75.00768	1.8
78.95809	1.4
83.01291	7.7
84.83697	0.7
85.02843	27.0
86.03189	2.6
87.00770	6.6
88.98677	1.5
89.02339	92.5
90.02666	4.2
91.02774	1.6
95.01281	7.6
97.02850	1.1
99.00779	4.7
100.01147	0.9
101.02351	60.9
102.02681	6.4
103.02801	2.3
107.03379	1.1
111.00797	2.2
113.02361	39.9
114.02723	4.5
115.02753	1.2
119.03423	37.2
120.03803	3.3
121.03886	1.7
123.04471	1.3
124.75359	0.8
125.02362	4.0
131.03438	5.9
136.07578	1.0
137.02379	1.1
143.03447	9.4
145.02888	1.7
149.02231	0.7
149.04498	4.4
150.06812	3.7
151.03990	0.8
159.02969	3.3
161.04503	19.5
162.04855	3.0
163.04930	1.5
169.01381	3.2
179.05582	29.1
179.10747	1.8
180.05936	1.9
199.07710	3.0
199.11314	1.0
201.09247	1.1
232.07516	1.0
241.16122	1.1
257.19135	1.2
267.11209	0.6
267.13928	15.1
267.16559	1.1
268.14551	1.3
283.10880	1.3
283.17117	10.0
284.17432	1.1
299.99283	3.7
300.99603	0.8
301.18335	1.7
327.16104	41.1
328.16425	3.9
343.28638	4.2
344.28931	5.4
345.17123	30.3
345.21213	1.6
345.29666	5.6
346.17496	3.1
387.18280	2.2
446.30496	1.2
447.29819	1.2
506.34317	21.4
507.22571	4.0
507.34949	65.9
508.35211	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53238	1.6
59.01255	2.4
69.85880	6.3
69.86281	3.7
75.00760	2.4
87.00774	28.6
98.20757	1.4
99.00796	4.1
105.01847	28.6
108.90788	1.6
147.02925	6.4
165.04005	100.0
166.01848	1.8
166.04373	2.8
194.01788	1.6
244.64233	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	507.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.9
56.84787	1.0
57.03339	3.1
58.00482	5.6
59.01265	100.0
60.01601	2.0
61.98713	9.6
71.01272	75.3
71.58850	1.6
72.99188	5.8
73.02825	8.1
75.00773	1.7
75.51897	1.2
78.95791	1.5
80.94665	1.1
83.01273	4.1
85.02841	16.0
87.00774	5.1
87.04397	1.5
88.98716	5.3
89.02340	89.0
90.02682	1.7
95.01283	4.7
97.02847	1.1
99.00803	2.4
99.04470	1.0
101.02353	41.8
107.01286	1.9
111.00785	1.4
113.02356	28.3
117.03381	1.0
119.02576	1.9
119.03420	36.4
123.00786	2.9
125.02380	7.7
131.03429	6.4
134.03630	1.2
134.40346	1.1
137.02359	3.3
139.00345	1.3
143.03419	9.2
145.02876	3.3
149.04573	5.2
151.03911	2.3
160.01602	3.2
161.02432	1.7
161.04520	12.3
163.03917	1.9
163.06012	1.5
168.00566	1.2
169.01372	7.9
175.03937	4.9
177.46974	1.0
179.05571	42.0
211.02409	2.2
211.13387	11.4
241.16013	2.9
253.09590	1.6
253.12354	23.9
254.12646	2.4
257.19153	1.6
267.14008	6.5
268.14758	20.8
269.15036	2.4
271.04639	3.5
283.17117	19.8
284.17346	2.3
300.99951	1.9
301.18298	1.8
325.21405	1.1
327.16101	8.5
327.47351	1.0
328.16327	1.5
338.14090	1.1
345.17120	32.1
346.17520	4.3
359.28159	11.1
360.28448	1.7
387.18417	1.9
447.22336	3.9
447.28812	1.4
461.23795	1.7
477.19034	2.5
506.34427	1.6
507.22382	27.7
507.31882	14.3
508.11563	1.2
508.22519	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1156
Annotation	Moghanin A
Peak:m/z	Relative Intensity
54.13130	0.4
55.66771	0.4
56.00618	0.3
59.01269	1.2
63.59483	0.4
65.00137	0.3
65.50864	0.3
67.01780	0.6
69.03345	0.8
69.50612	0.5
69.51012	3.0
71.01278	3.4
72.99208	0.4
73.02826	0.4
79.01790	0.4
81.03362	0.4
83.01283	0.9
85.02859	0.8
86.03581	0.4
89.02335	0.5
95.01285	1.8
97.02850	1.1
99.00759	0.5
101.02348	1.2
102.30358	0.4
104.14348	0.3
107.00613	0.3
107.01294	7.4
109.02865	0.7
111.00803	1.2
113.02361	1.2
121.02856	0.7
123.00797	6.6
124.01606	0.7
125.02369	44.0
126.02713	1.6
127.00286	0.5
131.09561	0.4
133.02876	0.7
134.03661	18.5
135.04401	1.6
136.98781	0.6
137.02367	3.8
138.03200	0.4
139.00316	2.7
139.03943	1.2
140.01062	1.7
141.01843	1.3
149.02379	0.5
149.06026	6.9
150.06410	0.5
151.00290	6.0
153.01944	0.5
165.01884	0.4
166.99774	0.6
167.03432	0.4
168.00647	2.5
169.01379	62.3
170.01703	2.5
178.02673	15.2
179.03490	3.3
183.02928	1.0
193.01390	0.7
193.05034	19.8
194.05307	1.1
195.02965	0.6
211.02441	1.5
241.03520	1.2
250.57101	0.4
253.03481	1.0
271.04532	1.0
299.52112	0.4
313.05716	34.1
314.06046	2.8
322.45847	0.4
327.12436	1.0
345.13538	0.6
463.12619	2.1
464.12341	0.5
507.11539	100.0
508.11871	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	507.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.9
59.01262	3.4
64.63110	0.4
67.01771	1.2
69.03343	1.0
69.48617	3.4
71.01266	7.2
72.99190	0.7
73.02831	0.6
79.01760	0.6
81.03352	0.7
83.01250	1.0
85.02846	1.6
87.00754	0.4
89.02352	0.5
95.01288	1.5
96.95938	1.2
97.02868	1.5
101.02361	1.5
107.01287	11.1
108.01604	0.6
109.02880	0.8
111.00772	2.7
113.02374	1.7
117.03396	0.7
119.04916	0.4
121.02819	0.5
123.00793	8.6
124.01621	2.0
125.02367	75.2
126.02702	2.5
127.00307	0.9
132.02094	3.4
133.02882	2.8
134.03685	4.1
135.04454	1.4
136.98779	1.1
137.02396	1.9
139.00334	3.2
140.01118	3.3
141.01871	1.1
149.02402	0.6
151.00301	6.0
151.03961	1.3
151.60194	0.5
153.01839	0.6
160.01611	13.4
161.02402	14.7
162.02745	1.1
163.03946	0.6
164.00957	0.4
165.01852	1.1
166.99812	0.9
167.03508	0.7
168.00603	8.5
169.01384	100.0
170.01743	3.6
175.03979	8.4
176.04320	0.6
177.01978	0.9
179.03464	2.5
181.01289	0.8
183.02980	1.1
189.01869	0.6
193.01518	0.7
193.05066	2.1
193.33594	0.4
203.03384	0.6
203.26961	0.5
211.02481	25.7
212.02853	1.6
217.05025	0.7
220.03206	0.4
223.02505	0.8
225.04024	1.0
241.03598	4.4
271.04642	36.4
272.05029	1.8
284.51208	0.5
285.06268	3.4
289.07321	0.9
299.99072	0.6
301.00040	0.7
313.05725	52.1
314.06039	3.6
327.07455	0.7
331.06784	8.7
332.07205	0.6
355.10672	0.5
447.09567	0.9
507.11536	78.4
508.04474	0.7
508.11838	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	507.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.0
59.01252	3.9
60.59293	1.0
65.00191	1.1
69.03326	1.4
71.01244	3.7
71.58098	1.3
71.58534	1.6
80.71729	1.1
83.01252	1.8
85.02834	1.2
91.86349	1.0
93.03361	1.5
96.95874	1.0
97.02870	1.9
101.02357	1.2
103.50048	0.9
107.01250	3.4
111.00751	2.0
113.02310	2.1
120.99562	1.4
121.02826	2.9
123.00800	4.7
124.01566	1.6
125.02377	42.6
126.02731	1.5
134.03610	3.2
137.02325	2.5
139.00237	3.4
140.00960	1.0
145.02866	1.3
149.05904	1.3
151.00311	2.5
151.03902	1.6
153.01913	1.4
159.64111	1.0
160.01555	1.3
161.02312	2.8
163.03854	1.2
164.00967	1.1
165.01906	1.2
166.99757	1.4
168.00571	6.1
169.01390	57.8
170.01601	1.4
175.03873	1.4
177.01848	1.1
178.06322	1.1
178.65695	1.2
193.04994	2.1
206.00835	1.0
208.63438	1.0
209.06757	1.1
211.02348	4.3
213.98914	1.1
214.99872	1.1
217.01305	1.4
229.01323	1.4
241.98509	1.7
242.99263	2.3
247.02303	1.2
254.99275	1.3
255.03157	1.3
257.00836	2.5
264.67947	1.1
269.98114	9.4
270.98926	9.0
271.01801	1.6
271.04535	4.0
271.99399	1.0
273.00287	3.2
275.01935	1.4
284.97894	1.1
285.00528	12.9
285.94760	1.4
285.97687	21.1
286.00815	3.2
286.98032	2.4
297.97385	3.9
298.98392	5.7
299.99191	2.1
300.02655	3.3
300.99942	12.0
312.09940	1.2
313.00046	6.9
313.05722	8.1
313.97159	52.6
314.00558	5.7
314.97766	7.6
315.00854	1.8
315.12448	1.7
327.12122	1.6
328.99466	91.4
330.00018	15.7
331.06763	11.6
332.07016	1.7
339.37408	1.3
344.01804	52.1
345.02463	11.1
448.06314	2.2
463.08319	2.5
464.09326	1.6
476.05920	2.0
477.06931	7.5
492.05234	4.7
507.07571	100.0
508.07922	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3548
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
50.57318	0.7
59.01266	59.9
61.98709	1.3
70.72285	2.3
93.52718	0.7
109.06496	1.5
135.32097	0.8
163.11203	0.9
175.11273	1.2
176.28697	0.8
193.12337	2.1
217.16077	0.7
233.19133	12.9
234.19498	1.5
255.23373	2.6
276.43610	0.7
299.23868	5.5
300.24182	1.0
322.10272	0.8
337.25732	0.7
363.23477	2.0
365.28528	2.0
373.29016	1.5
379.26425	1.4
383.29718	4.0
391.30246	3.0
392.30859	0.8
393.28192	4.5
409.31320	5.3
411.29276	1.8
421.27786	1.6
427.32349	1.7
445.33389	4.3
446.33853	1.3
460.51523	0.9
471.32141	0.9
487.34531	8.7
488.34811	2.3
505.35544	100.0
506.35782	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	505.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01516	0.4
55.01772	4.8
57.03342	3.4
58.00483	1.9
59.01267	27.2
61.98713	0.7
66.37186	0.3
69.03347	0.7
69.32968	0.9
69.33379	2.6
71.01273	42.7
71.04893	0.6
72.01604	0.6
72.99214	1.7
73.02841	15.2
74.03188	0.5
75.00755	0.7
80.24509	0.3
81.03404	0.4
83.01282	8.7
85.02847	23.5
85.99998	0.7
86.03153	0.4
87.00777	2.6
89.01817	0.7
89.02341	9.1
89.89999	0.3
95.01286	3.8
97.02848	0.9
99.00783	6.1
101.02353	36.3
102.02689	0.9
103.19565	0.3
106.79964	0.4
111.00777	3.5
113.02364	17.2
114.02733	0.5
119.03432	4.4
125.02356	1.3
129.01871	1.9
131.03474	0.5
141.01851	0.5
143.03476	1.7
143.10730	0.4
159.02968	4.3
161.04506	13.5
162.04893	0.7
179.05597	1.3
205.03508	0.4
211.42268	0.3
247.24300	0.7
308.05084	0.3
313.27454	2.0
325.27539	0.7
343.28601	14.4
344.28986	1.6
475.32928	1.1
503.32208	0.4
505.33975	100.0
506.34259	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	505.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	5.4
56.43221	0.4
57.03340	4.7
58.00484	4.2
59.01266	91.7
60.01600	1.2
61.98716	1.3
69.03352	0.9
69.31856	3.9
71.01273	94.2
71.04914	1.2
71.72803	0.4
72.01608	1.0
72.99194	5.2
73.02838	17.9
73.56696	0.4
75.00760	1.5
83.01284	10.6
85.02847	33.5
86.03171	0.7
86.10632	0.4
87.00775	5.3
87.04446	0.6
89.02340	57.7
90.02692	0.9
95.01283	6.5
97.02851	2.0
97.06503	0.5
98.08488	0.4
99.00790	8.8
101.02351	68.8
102.02695	1.9
107.03390	0.5
111.00799	1.5
113.02361	40.4
114.02722	0.9
119.03423	27.4
120.03764	0.7
125.02377	2.3
129.01862	1.4
131.03424	3.3
141.65770	0.4
143.03452	6.1
149.04485	2.1
159.02922	4.9
161.04509	27.6
162.04854	1.1
177.07820	0.4
179.05583	11.6
187.20374	0.5
209.11789	1.2
213.18686	1.5
247.24387	0.7
313.27551	1.3
325.27591	1.6
343.28577	24.7
344.28876	2.4
505.34097	100.0
506.34421	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	505.3035
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
53.09121	0.2
55.01757	1.1
57.03339	1.4
58.00489	0.6
59.01265	51.9
60.01603	0.7
61.98718	3.2
69.03355	0.3
71.01269	18.9
71.04901	0.3
72.01624	0.4
72.99210	1.3
73.02838	6.3
75.00752	0.3
78.95811	0.2
83.01278	2.8
83.96282	0.2
85.02841	10.4
87.00765	1.0
89.02340	4.6
93.03368	0.2
95.01276	1.9
97.02861	0.4
99.00784	2.4
99.04343	0.2
101.02345	14.4
102.02706	0.5
109.02895	0.2
111.00781	0.4
113.02362	8.7
119.03432	1.2
125.02392	1.1
127.11211	1.2
129.01880	0.3
137.02365	0.3
139.11235	0.3
143.03452	0.4
145.02815	0.2
156.93137	0.2
159.02972	1.0
161.04494	4.0
161.05829	0.3
169.01344	0.4
179.05573	0.2
179.10782	0.2
190.12743	0.2
205.03481	0.2
218.37320	0.2
237.22189	2.2
239.20169	5.2
240.20468	0.4
281.21188	0.4
283.06128	0.2
299.22333	0.3
301.00049	0.2
343.24786	0.3
343.28549	0.3
407.10733	0.2
445.28229	3.3
446.28488	0.4
487.29242	3.7
505.30222	100.0
506.30542	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	505.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	3.9
57.03336	3.4
58.00484	0.9
59.01268	17.4
60.01595	0.3
61.98704	0.1
63.62735	0.1
64.17765	0.1
68.99694	0.5
69.03345	0.6
69.38550	1.0
71.01270	29.6
71.04916	0.3
72.01614	0.6
72.99194	1.5
73.02837	12.9
74.03194	0.1
75.00772	0.8
81.03347	0.2
83.01279	7.4
84.01604	0.2
84.02042	0.3
85.02845	18.9
85.99979	0.9
86.03199	0.3
87.00771	2.0
87.04430	0.1
88.01092	0.1
89.02335	2.0
93.06999	1.3
95.01286	2.8
97.02855	0.8
97.06483	0.2
99.00784	5.4
99.08073	0.3
101.02348	26.7
102.02690	0.7
111.00789	4.3
112.01195	0.1
113.02358	11.3
113.09602	0.2
114.02692	0.3
119.03408	0.4
123.08127	0.2
125.02367	0.7
125.09673	0.2
129.01840	1.1
131.03423	0.2
139.00336	0.1
141.01895	0.5
142.41501	0.1
143.03444	0.8
143.10718	3.5
143.11856	0.2
144.10983	0.1
159.02940	3.1
160.03214	0.2
161.04506	7.0
162.04819	0.3
163.14859	0.4
173.66054	0.1
179.05563	0.2
179.15422	0.1
205.03601	0.2
211.16977	0.5
213.18594	1.2
283.26535	0.2
305.16199	0.8
313.27670	0.6
325.27475	0.2
341.26910	0.1
343.28598	5.1
344.28958	0.4
375.23990	3.1
376.24255	0.4
445.31818	0.3
469.31674	0.2
475.32956	1.4
487.33026	0.7
488.33334	0.1
503.32285	0.4
504.32697	0.1
505.33948	100.0
506.34253	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	505.3028
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
53.66694	0.4
55.01765	2.0
57.03329	2.1
58.00481	1.2
59.01266	72.2
60.01588	1.0
61.39056	0.4
61.98722	3.3
63.48961	0.4
69.03320	0.5
70.02676	0.4
71.01271	28.9
71.60345	0.7
72.01616	0.6
72.99208	1.6
73.02836	7.8
75.00763	0.8
78.95811	0.5
83.01286	4.3
85.02846	12.9
87.00784	1.3
89.02338	12.6
95.01284	2.7
97.02861	0.6
99.00790	3.2
101.02347	21.4
111.00789	1.1
111.08067	0.7
113.02359	11.3
119.03410	4.6
120.26260	0.5
123.00737	0.6
123.07858	0.5
125.02362	1.0
129.01913	0.5
137.02362	0.7
138.01880	0.6
140.04095	0.4
141.12791	1.0
143.03421	1.8
159.03029	2.1
159.92830	0.4
161.04512	5.0
162.81923	0.4
169.01410	0.7
179.05515	1.7
179.06985	0.4
209.11806	2.4
237.22290	2.3
239.20164	5.7
240.20497	0.7
325.27515	0.4
343.28348	1.8
417.30859	0.4
445.27936	1.8
487.29138	4.2
488.29630	0.5
505.29996	100.0
506.30344	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	505.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23574	1.0
59.01266	11.3
61.27933	0.8
71.01285	1.1
76.92462	0.8
78.95795	26.0
92.31763	0.9
96.96867	2.8
98.19762	2.1
99.59354	0.8
150.97897	1.0
152.99530	48.9
171.00545	2.3
180.09738	0.8
195.41771	0.9
199.61252	0.9
201.49272	0.9
207.17639	0.9
227.03281	6.4
245.04366	1.7
275.20105	1.2
277.21786	100.0
278.22119	10.0
279.23325	1.9
280.23807	1.8
339.64987	0.9
443.35645	1.6
504.34293	1.2
505.25833	76.6
505.34784	12.2
506.26050	12.5
506.33380	1.3
506.36093	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80495	0.3
59.01262	1.9
61.98726	0.3
62.89657	0.2
62.98825	0.2
71.98279	0.2
78.95798	0.4
91.15295	0.2
91.64664	0.2
95.35781	0.3
96.21245	0.2
117.38985	0.3
121.02875	100.0
122.03208	3.6
152.99571	0.2
180.05800	0.6
181.06543	3.5
182.06998	0.3
197.06050	3.0
199.05573	0.2
199.07487	0.3
207.04541	1.0
207.08183	0.3
225.05591	2.0
229.57487	0.2
251.07108	0.3
257.09824	0.9
284.41803	0.3
285.09250	0.4
295.88681	0.3
313.07251	4.3
314.07675	0.5
329.08112	0.4
357.06247	0.7
373.10800	0.5
383.07858	1.0
417.09903	8.2
418.10287	1.1
433.09177	0.3
461.12540	0.6
504.34137	0.8
505.11530	10.1
505.35062	1.8
506.12009	1.6
529.46753	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2585
Annotation	Amoritin
Peak:m/z	Relative Intensity
55.59943	0.3
55.88300	0.3
59.01266	2.8
60.02340	0.3
69.28814	1.0
71.01264	0.4
78.95795	11.2
79.94327	0.3
90.28661	0.3
96.96864	1.0
101.96209	0.3
116.75455	0.3
118.44382	0.2
120.67411	0.3
152.99535	18.4
168.04271	0.4
171.00613	2.6
206.20296	0.3
213.23734	0.3
227.03270	3.2
233.22762	0.5
242.07944	0.5
245.04404	2.1
259.20743	0.8
275.20154	0.4
277.21780	100.0
278.22137	9.6
279.23364	10.2
280.23688	13.9
281.23999	0.7
285.97968	0.3
504.31577	0.3
505.25781	35.7
505.32129	1.8
506.26117	5.3
506.32980	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01250	0.8
61.52578	0.2
63.02291	0.6
65.00197	1.3
69.03345	0.4
69.27022	1.0
69.27446	1.6
71.01248	0.5
75.57026	0.2
83.01281	1.0
91.01783	0.3
93.03326	0.4
96.95912	1.0
96.96897	0.3
107.01294	3.0
108.02093	1.8
109.02889	1.6
111.00782	0.4
118.96275	0.2
119.01334	0.2
119.04866	0.2
121.02883	1.5
121.25455	0.2
123.00790	0.6
123.04464	0.7
124.01531	0.3
125.02351	2.5
135.00813	1.2
137.02374	0.5
139.03917	0.3
145.02892	0.4
147.04431	0.2
148.01622	1.6
149.02391	0.5
151.00316	10.4
151.03940	0.8
152.00655	0.5
153.01904	0.5
159.04431	0.4
161.02429	0.8
161.06020	0.3
162.98909	0.3
163.00310	3.4
163.03984	0.3
164.01138	1.1
165.01892	0.3
169.01430	1.4
171.04597	0.3
175.03937	0.5
177.01886	0.4
178.99837	5.1
180.00182	0.4
183.04536	0.8
185.00824	0.3
185.05927	0.2
187.04004	0.6
190.99870	0.2
192.00731	0.4
193.01289	0.3
198.03278	0.4
199.03986	1.0
201.02094	0.3
203.03496	0.7
211.03937	1.2
213.01833	0.4
215.03442	0.9
216.04137	0.5
217.01401	0.3
226.02728	1.9
227.03503	3.2
228.03998	0.4
229.01395	0.5
229.05017	0.8
233.20856	0.2
239.03471	0.5
240.04170	0.3
241.04984	0.2
243.03021	13.0
244.03442	1.2
245.04553	1.2
245.08330	0.4
247.02519	0.7
247.90201	0.3
254.02266	2.8
255.03026	27.1
256.03476	2.5
257.04510	0.5
271.02539	62.6
272.02975	5.7
273.00943	0.3
273.04065	0.9
283.02576	1.5
289.07404	1.1
299.02060	1.4
300.02820	100.0
301.03516	47.9
302.03918	3.7
343.04517	0.7
387.54599	0.3
390.75256	0.2
395.01584	0.3
411.81259	0.2
415.54776	0.4
463.08951	3.2
464.09079	0.5
505.09988	83.8
506.10278	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	504.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47057	2.6
55.97603	2.4
59.01260	11.6
60.13911	2.6
65.99743	3.7
71.01279	3.1
74.53457	2.8
83.01317	3.0
85.02850	3.0
93.03364	3.7
95.01332	4.5
98.19722	4.1
107.01299	7.1
108.02050	3.5
109.02869	27.7
111.00795	4.2
115.47242	3.1
121.02854	6.2
123.00802	6.3
123.04449	3.0
124.01575	4.3
125.02340	8.9
132.52063	2.8
133.02890	6.4
134.02405	5.4
135.00807	3.9
136.84091	3.0
137.02365	21.6
147.00827	3.7
148.01588	50.0
149.02409	25.6
150.03017	3.4
151.00331	21.3
153.01852	5.2
158.02396	3.3
159.04555	3.7
161.02315	5.1
162.01921	18.8
163.00366	13.1
163.02618	5.5
163.03946	4.6
164.01085	3.7
164.03491	19.2
165.01845	3.3
166.99861	2.6
175.00319	7.2
176.01123	4.5
176.03539	3.6
177.00476	5.3
177.01891	57.1
178.99831	14.4
186.01949	16.5
189.01910	3.0
190.01407	10.8
191.02197	11.9
193.01495	3.3
199.03969	3.1
201.05385	2.8
202.01445	6.1
202.99879	20.0
203.01930	5.3
204.01137	5.0
204.03015	47.7
205.01529	3.3
214.01340	4.9
222.04138	4.3
227.03542	8.5
230.00923	30.9
231.01276	3.8
243.02939	10.0
245.04517	6.4
250.94501	3.4
255.03001	7.7
267.02963	4.1
271.02524	26.0
272.03183	13.1
273.04117	8.2
282.03986	3.1
285.04062	10.3
286.04211	3.2
287.02121	4.0
294.04138	6.1
295.02469	5.5
295.08322	5.4
299.02026	27.1
300.02606	16.8
301.03564	4.0
311.04486	3.3
313.03610	17.8
313.09427	5.0
316.02167	14.8
317.03140	30.8
322.03638	16.9
323.04617	4.0
327.07285	5.9
339.03952	18.6
339.06851	14.5
340.04648	54.1
341.08762	4.7
357.04694	15.7
358.05713	18.6
368.09995	51.3
394.07892	71.4
395.08722	4.9
419.09564	3.5
426.25659	3.8
442.30734	3.0
446.08755	6.3
463.08884	12.4
477.10629	2.9
486.10464	24.9
487.10806	3.5
504.11664	100.0
505.11853	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	504.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74668	0.3
57.03331	1.3
59.01262	0.6
61.98717	8.6
67.01803	0.4
69.03349	1.0
69.28903	2.6
69.29324	0.9
71.01269	0.6
79.01791	0.4
79.50462	0.3
81.03345	1.6
83.01296	1.1
83.41734	0.3
93.03348	0.7
95.01302	0.6
95.04942	0.4
96.95912	1.8
97.02849	2.6
99.00782	0.3
101.02316	0.5
107.01321	1.4
109.02873	7.7
111.00787	1.3
118.92246	0.3
121.02866	1.5
123.00792	1.8
123.04446	3.6
124.01623	0.6
125.02367	59.5
126.02741	2.3
135.04439	0.7
136.98779	0.3
137.02370	5.9
139.00323	1.0
139.03926	1.1
140.01096	1.2
145.02913	2.5
146.03685	0.5
149.02405	1.8
150.03165	0.6
151.00304	0.4
151.03960	3.9
154.99796	0.3
159.04472	1.2
161.02434	0.6
161.06012	2.0
162.03139	0.4
163.00267	0.4
164.01103	1.1
165.01836	2.3
166.02425	0.4
166.99844	1.9
167.03442	0.6
168.00584	1.3
169.01379	100.0
170.01733	4.3
175.03984	0.5
175.07526	0.4
177.01871	0.4
179.03456	2.0
183.04361	0.3
185.06079	0.8
187.03986	1.5
187.17615	0.4
188.04739	1.4
193.01407	3.9
201.05629	0.6
202.06288	0.6
203.07149	4.6
204.07454	0.4
205.01476	0.6
205.05028	2.6
209.05994	0.6
217.08768	0.4
221.08191	0.7
227.07166	1.1
229.05315	0.3
231.02951	0.6
245.04504	0.6
245.08253	6.6
253.05035	0.6
259.06049	0.4
271.06168	4.8
272.06418	0.5
273.04083	0.4
273.07791	0.4
287.05667	0.7
289.07260	35.9
290.07657	2.9
300.99896	0.5
303.05219	1.7
331.04721	1.6
331.08862	0.3
342.06467	0.4
397.09094	0.5
397.51810	0.4
441.08356	41.3
442.08658	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	503.339
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
58.00210	0.3
58.00485	5.6
59.01267	2.0
61.98695	0.3
62.39996	0.2
71.01262	0.3
72.86114	0.2
83.04933	0.5
85.06472	0.3
97.06510	0.3
98.19666	0.5
99.04398	1.3
101.05987	0.7
123.08112	1.5
125.09650	0.7
139.07599	0.4
149.09608	0.6
159.10229	2.3
182.82120	0.2
225.14978	0.4
229.57123	0.3
233.19147	1.9
257.19168	0.9
325.25320	0.3
332.76395	0.2
351.27057	0.7
352.27356	0.3
367.30176	1.8
381.31873	0.7
391.26425	0.5
403.30023	0.4
405.31747	0.8
407.29709	0.9
421.31265	1.0
422.32013	0.3
423.33057	0.3
427.32315	0.3
437.30481	0.3
439.32379	1.5
440.32932	0.5
441.34067	1.4
443.31766	0.6
457.33630	1.2
459.35333	0.6
485.33163	1.2
503.33926	100.0
504.34283	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.8
57.03330	1.5
59.01264	6.5
61.98715	0.8
65.00196	0.5
67.01768	1.2
68.99689	0.9
69.03345	3.2
70.53384	1.4
71.01273	7.0
72.99195	1.0
73.02828	1.5
79.01783	1.3
81.03368	0.6
83.01271	1.9
85.02840	3.8
85.06474	0.6
87.00767	1.0
88.98688	0.7
89.02315	2.0
95.01284	3.3
96.17059	0.4
96.95908	1.2
97.02846	1.5
99.00774	1.2
99.58018	0.4
101.02340	3.8
107.01283	5.8
109.02835	0.6
111.00785	3.8
113.02361	3.7
113.99489	2.1
115.00245	1.5
119.03428	0.8
119.04920	0.5
120.48712	0.4
121.02832	0.5
123.00802	18.4
123.04421	0.7
124.01582	1.3
125.02365	20.1
126.02652	1.0
127.00301	1.4
129.01805	0.4
134.52588	0.4
135.04449	0.9
136.98811	2.0
137.02376	0.9
139.00313	5.8
139.11235	2.1
140.01105	3.7
141.01886	2.9
150.03151	0.4
151.00307	14.7
151.03899	0.5
152.00757	0.4
153.01923	1.1
154.99767	0.6
156.00470	0.5
157.01373	1.1
161.02399	0.6
163.04004	0.6
166.99797	0.5
167.03577	0.4
168.00572	4.1
169.01375	29.1
170.01718	1.3
173.02353	0.5
175.02451	0.6
177.05591	0.4
179.03555	0.9
181.04977	0.7
183.10216	4.6
191.03387	0.9
203.03442	0.6
209.04533	0.5
211.02475	2.4
217.01361	0.6
253.03609	0.5
271.04605	2.3
277.05582	1.3
289.07162	0.9
300.99991	2.1
301.03265	0.9
313.05780	2.0
373.07516	0.6
413.17963	0.7
503.21930	100.0
504.22287	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	503.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30207	0.8
57.03346	7.8
59.00993	1.5
59.01269	23.1
61.98719	6.2
67.01756	2.9
69.03343	16.0
71.01279	19.1
71.04534	0.9
71.04883	4.7
72.99197	1.9
73.02826	6.3
77.49669	0.9
78.95799	3.0
81.03330	1.5
83.01269	3.5
83.04917	4.5
85.02840	9.9
87.00779	3.6
89.02337	7.9
93.03357	24.8
95.01270	2.1
96.95909	1.3
96.96836	1.4
99.00762	2.6
101.02350	15.1
109.02858	3.2
109.06542	1.0
111.00769	3.9
111.01474	0.9
111.04430	18.3
111.08044	3.0
113.02386	8.3
113.05974	2.4
116.53454	1.1
116.92744	2.2
117.03360	7.6
119.03506	2.0
119.04944	54.5
120.05257	1.6
121.02892	1.1
123.08042	1.3
125.02361	4.4
127.03909	2.7
128.28296	1.0
129.01846	1.4
137.02376	21.7
139.11227	21.5
143.03468	1.2
145.02896	41.2
146.03210	1.6
155.03448	49.4
156.03749	1.8
156.82959	1.1
159.02953	2.1
161.04547	5.7
161.05652	1.0
163.03960	54.9
164.04364	2.3
168.00586	1.4
169.01346	3.5
173.04521	74.8
174.04836	2.2
174.53323	0.9
179.05563	1.6
182.23126	1.0
183.10239	100.0
184.10651	5.7
189.09212	1.2
191.05373	1.1
193.00031	1.0
195.08139	1.2
206.64052	0.9
239.07318	1.2
289.07211	1.3
319.08301	37.3
320.08591	3.5
337.09473	2.5
339.14551	53.3
340.14969	4.7
357.15613	11.0
373.22470	2.1
443.26810	1.8
487.60016	1.0
503.19321	63.1
503.32324	27.7
504.19528	10.0
504.32458	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	503.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.6
57.03335	2.8
59.01264	9.9
61.98710	1.7
67.01775	1.7
67.75983	0.7
68.99702	2.2
69.03353	8.0
71.01268	10.1
71.04916	1.8
71.59964	1.1
72.99196	2.5
73.02850	1.7
74.46124	0.7
75.00771	1.0
79.01763	1.2
81.13259	0.6
83.01279	3.5
85.02850	9.1
87.00772	1.5
88.98728	1.0
89.02343	3.6
94.74980	0.7
95.01295	4.5
95.04948	1.0
96.11526	0.6
96.95906	1.9
97.02849	1.1
99.00790	4.3
101.02329	5.2
107.01311	4.9
109.02879	1.4
111.00775	4.4
111.04417	1.1
111.08075	1.4
113.02361	6.4
113.06024	1.1
113.99487	6.6
115.00290	3.9
119.03410	1.2
123.00809	21.9
123.04466	0.9
124.01657	1.8
125.02375	27.2
127.00304	2.6
129.01883	1.1
135.04533	0.8
136.98738	1.1
137.02330	2.1
139.00304	10.3
139.11234	7.0
140.01099	3.9
141.01862	4.0
151.00310	14.5
151.03963	1.2
152.01019	1.1
153.01855	1.8
156.00703	0.9
157.01385	4.1
159.04492	0.9
161.04529	1.1
163.00290	2.1
163.03966	1.6
168.00577	6.0
169.01390	35.1
170.01727	1.9
175.02466	2.4
177.01955	0.9
179.03313	0.8
183.10234	17.7
184.10490	1.2
196.07697	0.7
211.02490	1.2
257.04385	0.7
259.04462	0.7
271.04703	2.7
277.05722	6.7
301.00027	4.0
301.05542	1.0
313.05737	2.8
315.05377	0.7
319.06763	1.9
361.16608	1.1
413.18332	2.5
503.21194	100.0
504.21701	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	502.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	1.1
61.98738	0.1
69.03382	0.1
70.00663	0.1
71.01296	0.3
71.61381	0.1
78.95795	6.8
83.04956	0.2
96.96924	0.1
97.06480	0.1
101.34794	0.1
106.77130	0.1
127.07566	0.2
150.97704	0.1
152.99548	0.6
168.04269	1.8
207.17583	0.1
219.13840	0.1
224.06897	1.0
233.22844	0.3
233.30229	0.1
237.18568	0.2
242.08022	3.5
243.08350	0.1
259.20618	0.5
275.20169	0.4
277.21780	100.0
278.22116	10.0
278.25305	0.2
501.32547	0.1
502.29419	10.8
503.29883	1.5
503.34647	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.4
57.03327	0.4
58.00476	0.5
59.01266	10.3
60.29286	0.3
61.98708	1.6
67.01769	0.9
68.99688	0.3
69.03324	0.7
71.00896	0.5
71.01272	8.6
71.17130	0.4
71.17461	0.6
72.99181	1.2
73.02840	1.8
76.08361	0.3
78.95789	0.9
79.01767	1.2
83.01272	1.4
85.02859	2.5
87.00756	1.5
88.98633	0.3
89.02338	5.3
95.01291	2.6
96.96819	0.7
97.02849	1.0
99.00763	0.7
101.02342	5.0
107.01290	4.6
109.02877	0.4
110.00036	0.4
111.00796	3.4
113.01758	0.3
113.02368	4.0
117.03385	7.3
118.03697	0.3
119.03419	1.7
119.04938	2.1
123.00809	16.5
123.04380	0.5
124.01539	1.3
125.02370	22.8
126.02644	0.8
127.00238	1.1
131.03386	0.9
134.03624	1.1
136.98723	1.8
137.02327	0.7
139.00307	5.4
140.01096	4.4
141.01875	2.9
141.09123	1.3
143.03426	0.3
143.10715	0.5
145.02895	25.8
146.03191	1.2
147.04471	0.5
149.04494	1.8
151.00310	12.8
151.03847	0.6
152.00603	0.5
153.01852	1.2
154.99782	0.4
159.02849	0.4
159.04483	0.4
160.01572	1.3
161.04454	1.0
161.05885	0.4
163.03976	2.7
166.99792	0.6
168.00613	6.6
169.01387	34.4
170.01758	1.5
175.03952	2.2
179.03398	0.6
179.05553	0.4
181.01410	0.4
181.05153	0.4
187.03883	1.2
191.05504	0.5
191.07118	0.6
193.05049	1.5
206.99838	18.5
208.00203	0.9
211.00682	0.5
211.02470	4.9
223.02406	0.7
235.06126	0.7
241.03380	0.4
253.03427	0.7
265.07187	0.6
271.04651	4.5
289.07153	0.5
295.08246	0.9
297.06226	0.9
301.00049	0.7
313.05768	3.2
337.09338	3.4
339.18192	0.5
401.10947	2.6
402.10809	0.5
501.19794	100.0
502.20139	14.4
504.87271	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33957	0.5
55.01762	1.5
57.03337	2.3
58.00484	3.5
59.01265	100.0
60.01610	0.8
67.01805	0.5
69.03345	5.7
69.57327	1.1
69.57740	3.2
71.01273	54.1
72.01615	0.7
72.99196	4.9
73.02836	23.0
75.97816	0.6
81.03350	4.8
83.01283	5.8
85.02843	18.2
87.00787	1.7
89.02341	30.7
95.01289	2.8
96.95917	3.9
97.02850	10.1
98.19797	1.2
99.00792	2.3
99.04424	0.8
101.02351	36.3
102.02711	1.0
103.03917	32.8
104.04252	0.7
109.02856	0.9
110.06832	0.7
111.00793	0.8
113.02367	2.7
115.03945	1.7
119.03422	14.9
120.03796	0.5
123.00811	1.8
125.02373	43.6
126.02728	1.9
127.03932	4.4
128.90128	0.7
129.01846	1.1
129.05527	1.0
131.03406	1.5
131.05006	0.7
132.05748	1.7
132.83908	0.6
133.06525	34.7
134.06844	1.3
143.03467	4.2
145.05008	8.1
148.03513	0.5
163.06073	41.8
164.06410	1.3
166.99898	0.8
169.01379	3.6
205.07162	3.2
229.01706	0.9
229.07141	0.7
247.08278	8.6
250.85452	0.5
273.77280	0.6
275.02127	0.6
289.09436	2.1
301.00034	2.0
307.10422	47.4
308.10745	4.4
330.31586	0.6
424.55280	5.2
425.05429	3.1
441.17804	1.1
501.19250	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	501.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33957	0.5
55.01762	1.5
57.03337	2.3
58.00484	3.5
59.01265	100.0
60.01610	0.8
67.01805	0.5
69.03345	5.7
69.57327	1.1
69.57740	3.2
71.01273	54.1
72.01615	0.7
72.99196	4.9
73.02836	23.0
75.97816	0.6
81.03350	4.8
83.01283	5.8
85.02843	18.2
87.00787	1.7
89.02341	30.7
95.01289	2.8
96.95917	3.9
97.02850	10.1
98.19797	1.2
99.00792	2.3
99.04424	0.8
101.02351	36.3
102.02711	1.0
103.03917	32.8
104.04252	0.7
109.02856	0.9
110.06832	0.7
111.00793	0.8
113.02367	2.7
115.03945	1.7
119.03422	14.9
120.03796	0.5
123.00811	1.8
125.02373	43.6
126.02728	1.9
127.03932	4.4
128.90128	0.7
129.01846	1.1
129.05527	1.0
131.03406	1.5
131.05006	0.7
132.05748	1.7
132.83908	0.6
133.06525	34.7
134.06844	1.3
143.03467	4.2
145.05008	8.1
148.03513	0.5
163.06073	41.8
164.06410	1.3
166.99898	0.8
169.01379	3.6
205.07162	3.2
229.01706	0.9
229.07141	0.7
247.08278	8.6
250.85452	0.5
273.77280	0.6
275.02127	0.6
289.09436	2.1
301.00034	2.0
307.10422	47.4
308.10745	4.4
330.31586	0.6
424.55280	5.2
425.05429	3.1
441.17804	1.1
501.19250	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	501.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66234	0.2
55.01762	0.5
57.03337	0.3
59.00991	0.4
59.01265	6.4
61.98716	1.6
63.99127	0.4
67.01766	0.8
69.03352	0.4
69.60794	1.4
69.61215	0.5
70.10191	0.2
71.01271	6.0
72.99194	0.6
73.02832	1.1
78.95783	0.7
79.01776	1.0
83.01282	1.1
85.02845	2.1
87.00762	1.2
89.02333	2.2
93.03368	0.3
95.01283	1.9
95.04877	0.2
96.96848	0.5
97.02842	0.9
99.00790	0.4
101.02339	3.1
107.01299	4.9
109.02867	0.6
109.04585	0.2
109.99994	0.4
111.00776	2.6
113.02349	2.1
115.07631	0.2
119.03423	0.6
123.00804	13.8
123.04427	0.3
124.01557	1.0
125.02372	20.8
126.02740	0.8
127.00314	0.9
136.98755	1.5
137.02361	0.3
139.00316	5.0
140.01093	3.3
141.01862	2.4
141.09129	1.3
143.03470	0.2
145.02959	0.3
151.00308	10.8
152.00655	0.5
153.01839	0.7
154.99791	0.4
161.04523	0.5
163.04001	0.3
165.05391	0.3
168.00598	5.2
169.01381	29.4
170.01738	1.0
179.03494	0.3
181.05049	0.4
189.01990	0.4
192.15047	0.2
195.03021	0.4
209.04460	0.4
211.02478	4.1
217.01300	0.4
223.02534	0.3
238.30727	0.3
241.03488	0.4
253.03630	0.6
257.11819	0.3
271.04620	4.5
297.06207	0.7
300.99976	0.4
313.05713	2.6
501.19873	100.0
502.20233	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	500.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14138	0.2
57.03311	0.2
59.01266	5.1
61.98719	100.0
71.01269	2.0
71.61646	0.5
73.02858	0.4
78.95817	0.3
83.23796	0.2
85.02857	0.6
87.00798	0.3
89.02339	1.2
101.02354	1.6
113.02385	0.9
119.03434	0.7
123.00837	0.3
125.02406	0.9
125.06025	0.3
137.02440	0.3
161.04509	0.5
168.00729	0.2
169.01427	0.8
176.02368	0.2
233.59039	0.2
235.17076	0.3
337.25061	0.2
397.21951	0.3
441.25391	0.4
500.29755	0.6
501.23816	0.6
501.31104	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	500.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69448	0.1
57.03334	0.2
59.01263	1.7
61.01686	0.1
61.98716	100.0
69.58179	0.7
69.58589	0.3
71.01272	0.7
73.02838	0.3
75.00769	0.3
83.01292	0.2
85.02846	0.4
89.02352	0.3
99.00778	0.2
101.02357	0.8
102.02708	0.3
109.02901	0.2
113.02365	0.4
119.04941	0.1
125.02374	0.9
131.82724	0.1
137.02333	0.2
139.00351	0.1
141.95207	0.1
145.02985	0.1
151.00291	0.1
160.01726	0.2
161.04564	0.2
169.01416	0.4
175.04057	0.2
245.08403	0.2
271.06018	0.2
289.07242	1.1
291.18277	0.3
292.18759	0.3
293.18793	0.5
294.19077	0.2
341.06775	0.3
353.66714	0.1
438.24466	0.3
439.24756	0.5
440.24805	1.6
441.25229	0.2
465.12027	0.3
501.23425	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13111	0.2
57.03342	0.4
59.01263	4.5
60.14560	0.3
61.98717	100.0
71.01272	3.5
71.61441	0.3
72.01596	0.2
72.99193	0.4
73.02822	1.3
75.00775	0.8
83.01287	0.7
85.02813	1.2
87.00797	0.3
88.98721	0.5
89.02338	2.7
95.01308	0.3
96.95937	0.6
96.96870	0.3
101.02344	2.3
107.01302	0.6
109.02884	0.4
111.00800	0.5
113.02351	1.3
117.03373	0.5
119.03445	0.4
119.04955	0.3
122.50883	0.2
123.00777	1.8
125.02374	3.1
131.03450	0.6
135.08072	0.3
139.00317	0.6
140.01093	0.5
141.01849	0.3
145.02902	2.5
149.04581	0.3
151.00304	1.2
161.02481	0.3
161.04504	0.5
162.03259	0.2
163.03958	0.5
165.01883	0.3
168.00665	0.7
169.01370	3.6
175.04037	0.5
176.79211	0.2
179.05563	0.4
181.12344	0.5
190.81216	0.3
206.99867	4.1
271.04788	0.3
289.07217	0.6
292.18832	0.4
305.35611	0.3
337.09323	0.3
440.25070	0.7
499.33163	0.4
500.23026	1.3
501.20691	2.6
501.23889	4.0
501.31302	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2928
Annotation	Tricalysioside T
Peak:m/z	Relative Intensity
50.09920	0.2
50.77750	0.2
55.01780	0.5
57.03333	0.4
58.00477	0.2
59.01266	100.0
60.01602	1.1
61.98720	3.0
71.01271	12.6
71.04929	0.3
71.58853	0.5
72.01623	0.3
72.99198	0.8
73.02842	2.5
82.10882	0.2
83.01279	1.5
85.02850	4.3
86.00010	0.2
87.00780	4.6
87.01274	0.4
89.02342	7.9
95.01299	0.8
97.02861	0.7
99.00791	1.0
101.02348	7.8
101.03002	0.5
107.01292	0.3
107.04997	0.4
109.02887	0.7
109.06503	3.7
111.00833	0.6
113.02364	5.1
119.03425	3.2
123.00861	0.3
123.04459	0.7
124.01534	0.2
125.02365	2.5
127.11301	0.3
129.01859	0.9
131.03448	0.4
137.02399	0.7
137.09677	0.3
143.03491	1.2
151.00403	0.4
151.03981	0.5
155.10692	0.4
159.02972	0.8
161.04503	3.0
163.03923	0.3
165.01904	0.6
169.01376	1.8
177.02049	0.3
179.05592	2.6
199.51495	0.3
203.07181	0.3
209.15466	0.5
223.70164	0.2
227.16606	1.1
289.07327	0.5
297.04373	0.3
301.00012	0.2
315.05237	1.5
337.23914	3.2
389.22067	0.8
409.26056	0.7
439.27231	0.7
499.20578	2.1
499.29404	9.0
500.22128	0.5
500.29831	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2928
Annotation	Tricalysioside T
Peak:m/z	Relative Intensity
52.76007	0.3
53.26103	0.4
55.01768	2.1
57.03337	3.1
58.00484	5.3
59.01266	100.0
60.01610	1.5
61.98718	46.8
67.01748	0.3
71.01272	83.9
72.01610	1.5
72.99201	6.3
73.02836	6.2
75.00771	1.0
78.95778	0.4
80.16833	0.4
81.03362	0.5
83.01278	5.1
83.04932	0.4
85.02850	18.7
86.03186	0.5
87.00768	4.3
89.02338	73.0
90.02689	1.2
91.05455	0.4
93.03356	1.1
95.01283	4.6
97.02856	1.2
99.00790	3.8
99.04398	0.5
101.02351	54.3
102.02696	1.4
103.02786	0.4
107.04963	3.3
109.02881	0.7
109.06503	22.2
110.06840	1.2
111.00792	1.3
113.02361	32.8
114.02695	1.3
116.18546	0.4
119.03423	33.6
120.03772	0.9
123.00829	1.3
123.04464	0.7
123.08070	0.4
125.02376	5.3
125.72770	0.4
126.02735	0.4
131.03424	4.3
137.02356	0.6
137.09625	0.6
139.00253	0.8
140.01105	0.4
141.01826	0.4
143.03436	6.7
145.02861	0.6
149.04497	2.9
151.00404	0.6
159.02934	1.5
161.02455	0.8
161.04506	15.0
162.04878	0.7
163.03879	0.4
168.00632	0.5
169.01392	3.0
179.05582	13.1
179.14407	0.7
180.05936	0.5
205.03482	0.5
209.15483	1.1
211.02431	0.5
227.16461	2.3
255.06633	0.9
271.04718	0.5
289.07208	0.6
291.18256	0.5
292.18591	1.0
293.18735	1.4
297.97665	0.6
301.38397	0.4
313.00049	0.7
319.23047	0.7
328.02216	0.7
331.06528	0.4
333.61166	0.4
337.23895	6.6
338.24466	0.8
343.04599	0.5
367.62820	0.4
371.20950	1.1
389.21915	22.1
390.22067	2.3
427.24411	0.4
437.24173	0.5
438.24622	0.4
439.24548	5.1
463.08875	0.6
481.28387	0.8
499.29224	86.1
500.22232	0.9
500.29590	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	499.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82875	1.0
53.20155	1.0
59.01268	100.0
60.01619	1.4
61.98716	1.1
71.01273	4.5
71.60270	1.4
83.01316	1.3
85.02839	1.9
86.33321	1.1
89.02337	2.5
99.46573	1.0
101.02345	4.4
113.02374	5.2
125.65464	1.3
132.12405	1.1
132.16217	0.9
142.17882	0.9
161.04440	2.5
205.15967	4.1
273.22290	1.0
277.21786	80.4
278.22150	8.2
291.23331	1.8
319.22635	1.3
443.88339	1.1
499.30713	14.4
500.31345	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	499.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76236	7.3
50.88576	8.1
58.76558	8.3
59.01267	100.0
61.98714	95.2
66.91367	7.8
68.65945	9.0
71.01264	34.5
71.61239	14.6
71.61643	8.5
73.02815	11.3
78.49388	9.2
83.04900	17.7
85.02845	11.1
89.02333	15.0
101.02339	27.0
113.02344	14.6
119.03392	14.5
125.02361	34.8
127.03907	38.8
134.45667	8.5
139.07574	27.2
161.02422	10.1
163.47595	9.5
169.01413	25.7
190.65309	9.3
211.02438	24.5
221.34680	8.7
271.04565	43.2
324.44882	9.3
455.34085	10.2
499.24658	37.7
499.30997	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	499.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71504	9.5
59.01262	100.0
61.98718	70.8
62.98563	9.7
66.07428	9.0
71.01291	20.3
71.57771	10.9
71.58196	13.6
82.31066	10.2
93.66893	8.3
101.02332	11.7
125.02388	12.9
147.80095	8.5
169.01476	15.3
232.99854	10.9
240.21716	11.0
499.24054	48.9
499.31375	18.5
517.32031	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	499.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.2
57.03350	0.2
58.00477	0.3
59.01005	0.2
59.01261	4.9
59.09422	0.1
61.98718	8.4
65.00206	0.2
67.01776	0.6
68.99722	0.3
69.03351	0.4
69.52776	1.0
71.01276	3.1
72.99215	0.5
73.02849	0.4
75.00765	4.4
75.51489	0.1
79.01799	0.4
81.03327	0.1
82.00528	0.1
83.01268	0.8
83.04927	0.1
84.09714	0.1
85.02836	1.0
87.00799	0.5
88.98728	0.1
89.02338	1.4
93.03355	0.3
95.01280	0.9
96.95909	0.1
97.02879	0.4
99.00797	0.3
101.02341	1.4
107.01294	3.7
109.02879	0.5
110.00041	0.2
111.00790	1.9
113.02355	0.9
119.03431	0.5
123.00797	4.1
123.04482	0.2
124.01559	2.0
124.02388	0.1
125.02374	24.1
126.02715	0.8
127.00311	0.8
127.03924	0.2
131.03413	0.3
136.98761	1.3
137.02359	0.7
138.99248	0.2
139.00311	2.6
139.03967	0.6
140.01108	3.0
141.01909	0.7
145.02913	0.2
149.02408	0.3
151.00308	2.1
151.03946	0.2
154.99805	0.2
161.02489	0.1
161.04451	0.3
163.00301	0.1
165.01918	1.0
166.99855	0.4
167.03471	1.6
168.00609	13.1
168.50645	0.1
169.01387	35.6
170.01706	1.4
175.04005	0.2
179.05566	0.1
179.10706	0.2
181.01443	0.3
183.02922	0.3
191.03372	0.1
193.01366	0.2
193.08693	0.1
211.02475	59.4
212.02808	3.2
213.12778	0.2
241.03564	2.0
254.61473	0.1
257.11862	1.5
258.11948	0.1
269.04688	0.1
271.04645	100.0
272.04980	5.8
289.07159	0.2
300.99918	0.3
301.10886	1.7
302.11026	0.2
313.05630	0.4
331.06778	16.5
332.07169	1.5
422.57364	0.4
423.07303	0.2
439.22021	0.2
463.15588	0.2
498.57397	0.2
499.18185	23.4
500.18570	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	499.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47956	0.2
57.03352	0.2
58.00506	0.3
59.00989	0.2
59.01261	4.7
61.98719	5.2
65.00204	0.2
67.01785	0.5
71.01271	2.8
71.61180	0.2
72.99228	0.6
73.02850	0.4
75.00761	1.9
78.76503	0.2
79.01818	0.2
80.73286	0.2
81.03380	0.3
83.01309	0.6
85.02857	0.8
87.00809	0.3
89.02319	1.1
95.01311	0.6
97.02865	0.5
101.02361	1.2
102.01260	0.2
107.01294	3.2
109.02887	0.3
110.00007	0.2
111.00800	2.0
111.04353	0.2
112.01114	0.2
113.02360	0.9
119.03452	0.3
121.02845	0.2
123.00803	4.2
123.04373	0.2
124.01551	1.9
125.02371	23.7
126.02718	0.7
127.00315	0.9
136.98724	1.4
137.02402	0.7
139.00299	2.1
139.03969	0.8
140.01105	3.2
141.01775	0.3
149.02408	0.5
151.00299	2.4
151.01393	0.3
153.01939	0.3
165.01912	1.0
166.99727	0.3
167.03452	1.1
168.00597	12.5
169.01382	34.5
170.01674	1.2
181.01497	0.2
183.02982	0.7
211.02473	58.8
212.02820	2.8
241.03552	1.8
242.04022	0.2
245.04517	0.3
257.11835	0.8
271.04648	100.0
272.04993	5.2
289.07358	0.3
300.99957	0.5
301.10800	0.9
313.05685	0.4
331.06778	16.9
332.07071	1.1
390.25955	0.2
499.18155	22.1
500.18445	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1836
Annotation	Rolapitant
Peak:m/z	Relative Intensity
55.01776	0.6
57.03345	0.6
59.01270	3.4
61.46575	0.4
62.95232	0.4
64.33838	0.4
67.01767	1.0
68.99695	0.5
69.03337	0.6
71.01276	4.1
72.99211	0.8
73.02835	0.8
75.00792	0.5
77.94706	0.6
78.95808	0.6
79.01797	0.7
81.03348	0.5
83.01283	1.4
85.02831	2.1
87.00780	1.1
89.02353	1.2
95.01294	2.1
95.05735	0.5
96.95918	1.2
97.02880	0.5
99.00777	0.8
101.02336	2.5
107.01302	5.3
109.02894	0.9
111.00794	3.9
113.02368	1.6
113.03491	0.9
123.00806	11.9
123.04467	1.1
123.05353	0.5
124.01643	1.0
125.02374	22.5
126.02718	0.6
127.00294	1.9
135.04482	0.6
136.98764	2.6
137.02364	1.3
139.00317	5.7
139.03934	0.5
140.01089	4.7
141.01877	2.0
149.02383	0.7
151.00313	8.1
151.03966	1.4
153.01903	1.0
154.99709	0.5
159.04503	0.6
161.02478	0.6
163.00340	0.9
163.03931	0.8
165.01880	0.9
166.99838	1.9
168.00613	10.1
169.01385	29.8
170.01740	1.5
175.03937	0.6
177.01968	0.7
177.04039	1.6
179.03505	0.6
184.08868	0.5
193.05081	0.6
203.03458	0.5
205.05014	0.5
211.02463	9.1
212.02808	0.9
217.01357	0.7
239.66795	0.5
241.03349	0.7
260.03387	0.7
271.04660	18.0
271.07605	0.9
272.05066	1.5
289.07233	1.6
297.06192	0.9
300.99942	4.7
313.05750	1.9
316.99600	0.7
325.99985	2.7
329.05154	1.4
331.06863	3.3
332.07156	0.6
337.13010	1.5
387.09555	0.7
409.54758	0.7
411.13013	1.2
413.11026	0.6
429.13956	2.2
437.11032	1.0
455.10132	2.3
499.18372	100.0
500.05359	8.2
500.18668	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	499.183
Annotation	Rolapitant
Peak:m/z	Relative Intensity
50.22475	0.1
53.00228	0.1
55.01772	0.3
57.03345	0.4
58.00462	0.2
58.01669	0.1
59.00987	0.2
59.01266	2.2
60.52565	0.1
61.98705	0.1
64.31353	0.1
65.00216	0.3
67.01782	1.0
68.99720	0.3
69.03341	0.7
71.01273	2.8
71.05019	0.1
71.61056	0.1
72.99194	0.7
73.02840	1.1
75.00764	0.1
76.91677	0.1
78.00970	0.1
79.01779	1.2
81.03350	0.2
83.01276	1.3
85.02849	1.5
86.00016	0.1
87.00791	0.6
89.02354	0.4
95.01286	2.5
96.99229	0.2
97.02847	1.0
99.00777	0.5
101.02347	2.5
107.01308	3.9
109.02864	0.4
110.00001	0.5
111.00063	0.2
111.00796	2.8
113.02348	0.9
123.00809	18.7
124.01575	1.0
124.25311	0.1
125.02376	17.5
126.02732	0.5
127.00287	0.9
135.04449	0.2
136.98743	1.6
137.02383	0.5
139.00313	5.1
140.01099	3.8
141.01886	2.7
142.02277	0.1
143.03410	0.1
149.02386	0.1
151.00319	12.2
151.03957	0.4
152.00674	0.6
153.01904	1.0
154.99828	0.2
159.02908	0.2
161.02385	0.2
161.04550	0.2
163.00305	0.1
163.03973	0.5
165.01907	0.2
166.99809	0.5
168.00607	4.1
169.01385	21.3
170.01704	0.9
175.03958	0.1
178.99774	0.1
179.03465	0.5
181.05023	0.5
185.11815	0.9
191.03452	0.2
193.01181	0.1
193.05107	0.3
195.02908	0.2
209.04530	0.2
211.02502	0.5
223.02533	0.2
232.83803	0.1
253.03531	0.3
271.02249	0.1
271.04794	0.3
287.02228	0.1
300.99863	0.4
313.05695	1.1
314.06006	0.1
316.02347	0.2
317.02960	0.2
329.16208	0.2
347.17181	4.5
348.17599	0.4
379.14337	0.1
463.09015	0.5
481.17429	0.5
482.17746	0.1
499.18307	100.0
500.18665	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	499.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.6
57.03336	0.4
57.42780	0.2
59.00986	0.4
59.01262	4.3
61.98716	1.3
65.00204	0.3
67.01772	1.1
68.99707	0.5
69.03342	0.7
71.01273	5.0
71.61621	0.3
72.99188	0.9
73.02841	1.6
75.00746	0.4
76.30743	0.3
79.01760	0.9
83.01279	1.8
85.02846	2.5
87.00778	0.5
89.02324	1.5
93.03359	0.2
95.01288	2.4
96.95911	2.3
97.02850	0.7
98.95501	0.3
99.00784	1.2
101.02354	3.8
107.01304	4.4
109.02868	0.6
110.00052	0.3
111.00790	2.1
113.02368	2.4
119.03381	0.2
119.04951	0.5
121.02882	0.4
123.00801	15.1
123.04420	0.6
124.01643	0.5
125.02371	20.0
125.70081	0.2
126.02728	0.8
127.00282	0.9
135.04431	0.4
136.98730	1.1
137.02444	0.6
139.00316	4.9
140.01122	2.7
141.01883	2.7
145.02890	0.5
147.04407	0.5
149.02298	0.4
151.00310	12.7
151.03926	0.7
152.00702	0.5
153.01886	0.8
153.05533	0.4
154.99774	0.3
161.02405	0.5
161.04501	0.5
161.05951	0.5
163.00247	0.3
163.03937	0.7
165.01842	0.5
166.99846	1.0
167.03375	0.3
168.00589	3.9
169.01387	27.8
170.01717	1.5
175.03983	0.4
178.99826	1.2
179.03351	0.3
181.05052	0.4
185.11754	0.3
194.42557	0.3
201.01923	0.3
209.04507	0.3
209.11739	0.3
211.02484	2.7
217.01421	0.4
223.02519	0.3
237.36290	0.2
245.00961	0.7
246.01544	0.4
247.02547	0.3
253.03510	0.6
263.12970	0.3
271.04633	3.1
275.01999	0.4
300.99948	2.0
301.03589	3.9
302.00406	0.5
302.03839	0.6
313.05777	2.7
318.32343	0.3
347.17010	1.2
455.09619	0.5
455.19153	0.5
463.08951	3.1
464.09036	0.5
481.17383	0.5
482.54596	0.5
499.18329	100.0
500.12387	0.8
500.18713	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	498.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.2
57.18631	0.1
59.01268	0.4
61.98717	100.0
62.98428	0.2
65.00206	0.1
66.00868	0.3
67.01768	0.1
71.01279	0.3
71.03601	0.1
71.57082	0.2
71.68761	0.1
81.03336	0.5
83.01298	0.3
85.02872	0.2
87.00762	0.1
93.03371	0.6
95.01311	0.2
101.02390	0.2
107.01328	0.4
109.02899	0.2
111.00821	0.3
113.02314	0.2
119.04949	0.5
122.14271	0.1
123.00792	0.8
123.04440	1.7
124.01611	0.2
125.02367	3.7
126.02721	0.6
135.04471	0.2
136.98737	0.1
137.02419	0.3
139.00340	0.4
140.01122	0.3
141.01823	0.2
145.02914	0.2
149.02412	0.3
151.00323	0.5
151.03951	0.2
161.02448	0.2
163.03926	0.2
165.01981	0.2
166.99744	0.2
167.03459	5.3
168.00583	0.9
168.03822	0.2
169.01376	2.9
170.01711	0.9
177.01949	0.2
178.99724	0.1
179.03526	0.4
189.01903	0.5
189.05589	0.2
190.02618	0.1
211.02477	2.7
211.04370	0.2
212.02805	1.4
217.01405	1.1
245.00932	1.8
246.01718	0.7
247.02493	0.8
271.04620	4.3
272.04959	2.6
273.07758	8.4
274.08093	0.9
289.07379	0.2
313.05988	0.2
314.06116	0.2
329.79135	0.1
331.06705	0.5
332.07303	0.5
408.08194	0.1
435.13095	1.9
435.18829	0.2
436.13333	0.2
442.42453	0.1
455.09842	1.1
492.81271	0.1
497.16647	0.2
498.17090	3.1
499.08838	0.1
499.11108	0.1
499.18146	1.1
499.23959	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	498.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.2
59.01266	0.4
61.98717	100.0
62.99155	0.2
65.85029	0.1
66.00865	0.2
69.30128	1.6
71.01274	0.2
73.18666	0.1
78.38721	0.1
78.95798	0.2
81.03365	0.6
83.01292	0.4
87.04372	0.1
90.93690	0.1
93.03381	0.4
95.01319	0.1
101.08337	0.1
105.53805	0.1
107.01302	0.4
111.00784	0.2
119.04928	0.8
123.00819	0.4
123.04422	1.8
125.02359	3.0
126.02718	0.4
135.04434	0.2
139.00351	0.2
145.02869	0.2
149.02415	0.3
151.00369	0.3
151.03976	0.2
161.02380	0.2
167.03452	5.3
168.00623	0.7
168.03810	0.3
169.01381	2.0
170.01767	0.6
179.03470	0.4
211.02483	2.4
212.02844	1.2
217.01561	0.4
245.00980	0.5
271.04617	3.2
271.07208	0.2
272.04959	2.1
273.07742	8.3
274.08194	0.6
331.06680	0.2
332.07263	0.4
424.10226	0.2
435.13016	1.8
436.13531	0.3
455.10464	0.2
497.16638	0.2
498.16998	1.3
499.18475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	0.6
59.01271	1.3
61.98718	100.0
62.98421	0.2
62.99169	0.2
63.62304	0.2
65.00199	0.3
67.01797	0.2
69.03342	0.2
69.73833	1.2
71.01281	1.3
72.99207	0.3
73.02849	0.2
81.03350	0.3
83.01295	0.7
85.02864	0.4
89.02362	0.6
93.03368	1.1
95.01311	0.6
96.95924	0.3
97.02866	0.4
97.46990	0.2
98.20509	0.3
100.57565	0.2
101.02366	0.8
107.01315	0.8
107.04941	0.3
108.02091	0.4
109.02876	2.3
110.03181	0.3
111.00784	0.2
113.02382	0.4
117.03362	0.4
119.04945	0.7
121.02920	0.6
122.03749	0.2
123.00795	1.4
123.04442	2.5
123.05284	0.2
124.01637	0.4
124.04820	0.2
125.02378	9.5
126.02702	1.5
133.02917	0.4
135.04446	0.4
137.02365	1.2
139.00299	0.7
139.04005	0.3
145.02878	1.5
147.04485	0.6
149.02365	0.5
149.99570	0.3
150.03172	0.3
151.00308	0.8
151.03947	2.2
153.01857	0.2
159.04530	0.4
161.02414	0.8
161.04558	0.3
161.06047	0.3
163.00323	0.3
163.03998	0.8
164.01134	0.9
165.01816	0.6
166.02592	0.2
166.99898	0.3
167.03474	0.2
168.00624	1.0
169.01384	7.1
170.01680	1.3
173.02472	0.3
175.03951	0.5
177.01881	2.6
178.02342	0.3
185.50864	0.2
189.01913	4.6
190.02696	1.1
191.03528	1.3
191.05429	0.2
192.03935	0.2
203.03607	0.7
205.05145	0.3
209.11879	0.3
211.02525	0.5
216.00739	0.7
217.01437	4.4
217.04782	0.2
218.02078	0.5
219.02998	1.5
231.03078	1.2
232.03593	0.3
241.05269	0.3
245.00969	2.1
245.08176	0.4
246.01729	0.9
247.02637	0.8
264.30347	0.2
269.04810	0.2
271.06213	0.7
272.06567	0.3
273.08063	0.4
273.41251	0.2
289.07251	1.7
290.07715	0.7
290.16885	0.2
297.07724	0.2
301.00073	0.9
306.07431	0.3
311.05746	0.7
323.05667	0.3
341.06732	10.2
342.07123	1.2
345.98703	0.2
347.17352	0.8
435.10947	12.7
436.11218	1.9
438.23904	0.3
455.10208	0.8
497.16617	0.4
498.16275	2.7
499.18237	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	498.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03349	0.2
59.01263	1.2
61.98717	100.0
69.31673	0.7
69.32102	0.5
71.01273	1.5
73.02839	0.4
75.00742	0.2
82.40852	0.1
83.01299	0.2
83.19232	0.1
84.72084	0.1
85.02859	0.5
89.02357	0.4
93.03368	0.3
95.01289	0.2
97.02870	0.1
99.00773	0.1
101.02349	0.8
108.54891	0.1
109.02898	0.3
109.06516	0.1
112.03964	1.0
113.02368	0.3
119.04978	0.1
123.00808	0.3
123.04479	0.3
125.02367	1.2
128.03493	0.2
137.02428	0.4
138.95467	0.1
139.04015	0.1
143.03484	0.2
143.04590	0.4
145.02924	0.4
146.69034	0.1
149.04460	0.1
151.00305	0.2
151.03966	0.3
154.99805	0.1
159.04430	0.2
160.29054	0.1
161.04538	0.3
165.01814	0.1
168.00624	0.2
169.01349	0.8
171.10205	0.1
175.03877	0.1
177.01917	0.4
188.04573	0.1
189.01929	0.1
191.56058	0.1
204.09184	0.1
207.10237	0.3
209.11873	0.3
211.02539	0.3
217.01491	0.1
227.12901	0.1
258.58661	0.1
271.04288	0.6
274.18317	0.2
289.07294	0.5
290.07516	0.2
291.18259	0.2
301.00052	0.2
306.07803	0.4
318.17078	0.3
323.99579	0.1
331.06772	0.2
336.18350	0.2
341.06833	0.3
435.10895	0.2
437.23666	0.5
438.24100	0.3
497.20444	0.2
497.27502	0.2
498.21127	0.4
498.28052	0.1
499.22147	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14087	0.1
57.03317	0.2
59.01264	0.9
61.98717	100.0
62.98437	0.2
70.47435	0.5
71.01278	0.6
72.99199	0.2
73.02837	0.1
78.95811	0.2
83.01299	0.2
89.02338	0.3
92.69458	0.1
93.03368	0.2
93.71970	0.1
95.01284	0.2
96.95895	0.1
97.02853	0.2
97.39233	0.1
101.02367	0.3
107.01286	0.2
109.02853	1.1
110.03214	0.1
111.00795	0.2
113.02383	0.2
116.54791	0.1
117.03390	0.2
119.04984	0.5
123.00763	0.6
123.04450	0.5
125.02367	3.3
126.02716	0.2
134.15399	0.1
137.02353	1.3
139.00348	0.3
139.03918	0.2
140.01132	0.2
145.02892	0.9
149.02411	0.3
151.00314	0.3
151.03976	0.5
152.00642	0.1
156.65256	0.1
159.04579	0.2
161.02382	0.1
161.04558	0.2
163.03976	0.8
164.01151	0.2
165.01929	0.5
168.00583	0.9
169.01382	2.3
175.04196	0.2
177.01889	0.4
179.03516	0.2
187.03976	0.2
189.01981	0.8
190.02670	0.3
191.03479	0.2
203.03491	0.2
203.07137	0.2
205.04915	0.1
209.11723	0.2
211.02457	2.6
211.04292	0.1
216.00693	0.2
217.01428	0.8
217.05249	0.2
219.03009	0.3
231.03091	0.3
245.08308	0.4
253.08847	0.2
271.04498	3.8
283.30719	0.1
289.07236	4.6
289.10312	0.3
290.07492	0.6
311.06046	0.2
315.05173	0.4
317.21320	0.2
331.06885	0.6
341.06726	2.0
342.07251	0.2
435.10925	3.3
436.11484	0.6
437.23962	0.2
497.20856	0.3
497.27429	0.3
497.63153	0.2
498.21088	0.4
498.28253	0.2
499.17618	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2772
Annotation	Simplexin I
Peak:m/z	Relative Intensity
58.00479	0.6
59.01266	100.0
60.01598	1.2
61.98722	3.2
70.74521	0.7
71.01270	9.8
72.99202	1.0
73.02841	0.9
75.00781	0.2
75.16518	0.2
78.95792	0.5
79.95644	0.2
83.01280	0.5
85.02834	1.9
87.00770	1.1
89.02339	11.3
95.01278	0.5
96.95918	1.8
96.96879	0.7
99.00809	0.3
101.02346	6.3
103.24505	0.2
109.02879	0.3
113.02361	4.6
119.03427	6.0
119.04245	0.4
123.00883	0.3
125.02399	0.8
131.03452	0.7
133.55640	0.2
138.72995	0.2
143.03441	1.6
143.10716	0.4
149.04532	0.8
151.00302	0.2
161.04503	2.0
169.01393	0.5
176.75223	0.2
179.05574	4.8
275.20160	0.3
302.46191	0.2
305.20190	0.4
335.22598	0.4
437.25449	5.5
438.25906	0.8
497.27747	3.2
498.28387	0.3
516.50848	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78223	0.6
57.03338	0.7
58.00498	0.6
59.01265	100.0
60.01603	1.5
61.98720	2.5
62.42530	0.6
70.95742	0.6
71.01276	15.4
71.25110	1.1
72.99200	0.8
73.02840	2.6
83.01307	0.9
85.02847	3.8
87.00806	1.1
89.02339	13.7
90.02700	0.5
95.01292	0.6
98.20490	0.6
99.00785	0.6
101.02356	9.3
113.02367	8.3
119.03407	6.9
143.03432	1.5
149.71286	0.5
161.04520	4.9
173.90602	0.7
179.05627	2.3
453.26666	0.7
497.08517	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	3.2
57.03129	0.3
57.03344	3.6
58.00484	1.1
59.01267	47.4
61.98723	2.8
65.00200	0.3
67.01768	0.5
69.03345	1.4
70.09496	0.3
71.01272	37.9
71.53185	0.5
71.53551	0.5
72.99203	2.5
73.02838	17.2
74.03187	0.6
75.00765	0.8
77.33312	0.3
81.03365	0.6
83.01279	13.8
85.02846	21.4
85.91416	0.3
85.99991	1.3
86.03188	0.6
87.00749	2.1
87.04408	0.4
88.98705	0.3
89.02341	5.4
93.03368	0.6
95.01276	3.2
97.02850	2.8
99.00786	6.0
100.01138	0.3
101.02349	44.3
102.02685	0.9
103.03896	1.8
107.01315	1.3
109.02882	2.3
109.06488	0.3
111.00787	1.7
113.02357	15.0
114.02664	0.5
119.03423	1.4
119.04967	0.6
123.00803	5.5
123.04421	1.2
124.01612	0.4
125.02370	15.0
126.02692	0.6
127.00301	0.4
129.01863	1.2
131.03447	0.4
135.04410	0.5
136.98732	0.8
137.02373	2.6
137.09641	0.4
139.00340	1.8
140.01094	1.1
141.01855	0.8
143.03474	1.7
143.04440	0.3
145.02928	2.4
145.04984	0.5
149.02394	0.6
151.00327	3.9
151.04001	1.4
153.01875	0.6
159.02946	2.8
159.04485	0.8
161.02377	0.9
161.04520	11.8
161.05869	0.5
162.04825	0.4
163.00252	0.3
163.03999	0.5
163.06078	1.6
164.01134	0.4
165.01909	0.8
167.03336	0.4
168.00581	1.5
169.01389	9.9
170.01666	0.9
177.01888	0.7
179.03389	0.7
179.05626	0.5
185.05968	0.3
187.03954	0.5
199.13336	0.4
203.07140	1.0
205.05176	0.4
205.07048	0.3
211.02492	1.4
229.07285	0.8
245.08192	1.4
247.08298	0.6
253.05045	0.5
271.04556	1.7
271.06387	1.5
273.74136	0.3
289.07278	4.7
290.07608	0.5
291.18219	55.5
292.18542	4.9
313.05698	0.7
333.48444	0.3
335.17224	0.5
421.56390	0.4
437.24017	100.0
438.24359	12.7
481.23013	0.4
497.20532	33.5
497.26859	1.2
498.14545	0.5
498.20966	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	2.4
57.03341	2.9
58.00482	0.9
59.01266	40.0
60.01591	0.7
61.98722	4.9
69.03329	1.4
71.01270	30.1
72.99183	2.7
73.02835	9.6
75.00755	0.9
77.79019	0.5
81.03341	0.6
83.01274	6.1
85.02840	14.2
87.00765	1.9
89.02339	15.3
95.01291	1.2
95.13063	0.6
97.02869	1.0
98.20656	0.9
98.34324	0.5
99.00785	4.9
101.02351	29.2
104.46107	0.5
109.02833	1.0
111.00788	3.2
113.02354	10.2
113.03149	0.5
119.03427	0.9
125.02374	4.8
129.01877	0.8
131.03421	9.6
137.02412	2.6
138.03055	0.6
143.03468	1.8
145.02829	0.6
149.02446	0.6
149.04512	4.9
152.07355	0.5
159.02905	1.0
161.04504	5.2
165.01935	0.7
169.01390	1.0
188.04541	0.6
233.06705	1.5
271.06207	1.2
273.06775	0.9
289.07339	0.6
291.07785	0.8
305.19775	22.9
306.20102	2.3
335.22510	0.6
394.00052	0.5
427.80246	0.6
437.24017	100.0
438.24265	12.1
497.21457	1.5
497.27823	3.9
498.27966	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2034
Annotation	Brianodin D
Peak:m/z	Relative Intensity
51.97340	0.2
55.01765	0.7
55.06929	0.2
56.92605	0.2
57.03344	0.9
59.01262	5.2
61.98714	2.2
67.01785	0.8
68.99714	0.3
69.03342	1.0
69.59098	1.8
71.01273	6.7
72.99197	1.1
73.02834	2.0
75.00768	1.4
79.01788	0.8
81.03388	0.3
83.01286	1.3
85.02845	3.6
87.00782	0.7
89.02328	1.3
95.01283	2.3
96.95946	0.6
96.96864	0.3
96.99197	0.3
97.02856	1.0
98.20473	0.5
99.00774	0.6
101.02351	4.2
103.03941	0.8
107.01301	5.1
109.02871	0.3
109.99991	0.4
111.00795	2.4
113.02367	2.3
114.33771	0.3
117.03419	0.3
119.03396	0.5
121.02818	0.3
123.00803	13.4
123.04427	0.5
124.01557	0.8
125.02370	24.7
126.02725	1.0
127.00262	0.9
129.01862	0.5
131.03426	0.4
136.98721	2.1
137.02464	0.4
139.00316	4.2
140.01100	3.8
141.01895	2.5
145.02887	0.5
149.02449	0.4
151.00316	9.9
151.03951	0.7
152.00664	0.3
153.01881	0.6
155.27130	0.3
159.02937	0.5
161.02391	0.3
161.04515	0.6
163.03955	0.5
163.06079	1.1
165.01906	0.5
166.99863	0.3
167.03447	0.7
168.00591	5.0
168.01949	0.3
169.01385	38.1
170.01756	1.6
177.04021	6.2
179.03523	0.4
183.10272	0.6
191.03467	0.3
193.05086	0.3
205.05064	0.4
205.07109	0.5
211.02505	2.1
211.28549	0.3
223.02397	0.4
229.93413	0.3
253.03493	0.4
263.29941	0.3
269.06744	0.5
271.04639	1.9
285.51260	0.3
297.06198	0.9
300.99918	0.3
313.05710	3.1
329.05136	1.4
358.79926	0.3
371.09909	7.0
372.10403	0.5
421.07626	0.3
437.23984	1.1
453.17883	1.0
461.11948	0.3
497.20441	100.0
498.20767	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	497.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93525	0.9
59.01262	7.1
60.87202	0.7
61.98698	2.9
65.99753	0.9
66.66663	0.7
67.01772	1.3
67.13775	0.7
68.01302	0.9
69.03340	1.6
69.62698	2.4
69.63131	2.6
71.01275	5.1
72.99178	1.2
74.33970	0.7
78.03387	1.7
78.95795	2.5
80.04945	6.6
82.02897	1.1
85.02847	1.6
87.00768	1.7
89.02341	3.3
92.04980	1.5
94.02871	0.9
94.06525	8.0
95.01281	1.9
95.03683	1.8
96.00822	1.5
96.08090	2.4
96.95928	4.4
97.01574	4.0
97.02841	1.1
98.02380	1.0
98.06003	0.8
99.00790	0.8
101.02361	1.9
104.04954	2.2
106.02888	1.7
106.06539	3.9
107.01279	1.7
108.04447	2.4
109.01607	0.9
109.02866	2.5
109.05243	2.4
110.06006	1.6
110.98431	2.4
111.00791	3.6
111.01891	3.1
113.02325	1.3
119.03448	1.3
120.04466	10.5
121.05289	3.7
122.06045	34.5
123.00782	2.5
123.04430	2.6
123.06814	1.1
124.03983	1.6
124.07602	31.6
125.02369	9.0
125.07937	1.3
126.02728	0.9
126.05512	1.7
134.06068	1.3
135.04453	2.8
136.03989	7.5
136.07603	1.9
137.02370	3.2
138.05542	3.0
139.00276	1.9
140.07104	2.6
145.02870	0.9
147.04555	0.8
148.03979	73.6
148.07610	2.3
149.02315	1.3
149.04343	2.8
150.05550	14.2
151.00278	1.5
152.03467	1.2
152.07115	2.6
153.01894	0.9
160.04005	1.0
161.02390	1.9
163.00323	2.4
165.01932	0.9
166.05045	10.1
166.99805	2.7
168.00587	1.1
168.06610	15.9
169.01378	12.9
169.06935	1.0
170.01686	2.4
173.02461	1.0
173.07158	1.3
177.01897	0.9
179.03542	3.9
183.09224	1.9
184.06313	1.1
190.02594	1.1
194.04596	6.0
197.07147	5.7
198.07961	3.0
199.08704	0.8
199.12404	3.0
200.09409	6.0
200.11154	0.9
201.01971	0.8
203.03366	1.5
209.00880	1.5
210.04103	3.6
211.02438	1.3
211.08832	3.6
212.09438	12.2
213.06680	1.8
213.10342	5.9
214.07552	1.0
215.08371	1.6
215.11902	25.9
216.10406	1.4
216.12257	1.7
219.03015	0.9
225.06712	24.8
225.10107	4.5
226.07463	3.6
226.11089	6.5
227.08473	1.4
227.11911	32.1
228.05219	1.1
228.09023	2.0
228.12228	2.5
229.09816	2.8
229.13466	2.3
230.10527	0.9
231.11412	8.8
239.08308	2.3
240.09064	29.7
241.09721	4.9
242.10515	1.0
243.11414	18.5
244.12000	2.1
245.00974	1.6
245.12982	2.4
246.04248	0.8
247.02484	1.2
254.10750	1.1
255.11432	56.2
256.11871	5.2
257.09656	1.3
271.04599	1.9
271.10944	1.5
272.11743	2.9
273.00562	1.3
273.12518	84.0
274.10114	1.2
274.12820	5.1
275.02075	2.7
275.10382	2.3
275.13535	0.8
287.10403	5.7
288.10764	1.0
290.12930	1.0
291.13550	13.4
292.14035	1.0
299.10410	20.6
299.99023	1.0
300.10583	1.8
300.99982	8.5
302.00211	2.6
316.10757	13.1
317.11481	100.0
318.11780	9.2
334.11685	4.2
335.08035	3.9
335.12534	42.6
336.12872	3.3
359.12460	0.9
405.16663	1.1
423.54581	3.5
424.04657	1.3
437.15662	5.4
474.54758	1.4
479.16815	86.0
480.17218	11.6
485.65674	0.9
497.10739	1.6
497.17886	33.8
498.18286	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	497.1675
Annotation	Eucalmaidin B
Peak:m/z	Relative Intensity
57.03339	1.1
58.98316	0.5
59.01265	12.0
61.98718	3.0
65.00223	1.9
67.01775	3.2
68.77022	0.5
68.99725	1.0
69.03350	1.9
69.43539	3.8
69.43959	1.0
71.01272	12.0
72.99216	2.1
73.02837	1.6
75.00781	1.9
78.95833	0.6
79.01800	1.8
81.03372	1.2
83.01266	3.1
83.02455	0.5
85.02848	3.6
87.00782	1.9
89.02328	6.7
92.99714	0.7
93.03352	1.0
95.01284	7.0
95.04935	0.6
96.95933	1.7
97.02888	2.6
99.00793	1.6
101.02347	7.7
107.01288	6.1
107.04949	6.6
109.02854	3.3
110.02445	0.9
111.00797	4.5
113.02372	6.2
115.00271	0.8
117.03392	0.7
119.03429	2.0
119.04949	0.8
121.02896	1.1
121.10179	0.8
122.99908	0.9
123.00803	17.4
123.04454	2.6
124.01622	1.8
124.04825	0.5
125.02367	53.5
126.02776	1.9
127.00317	2.4
133.02873	0.6
135.04434	0.7
136.98750	2.1
137.02377	4.1
139.00310	10.4
139.03999	3.0
139.11235	0.9
140.01108	4.2
141.01933	2.4
145.02931	1.5
149.02400	1.2
150.03087	0.8
151.00319	10.8
151.03972	3.0
152.00798	0.9
153.01930	1.4
154.99857	1.2
159.02927	0.5
159.04385	0.6
161.02438	2.5
161.04526	1.5
161.06017	0.5
162.02953	0.5
163.00304	4.0
163.03957	1.1
164.01082	1.1
164.98248	0.8
165.01924	1.8
165.09193	0.6
166.02641	0.5
166.99803	2.3
167.03418	1.2
168.00604	8.2
169.01382	71.1
169.04962	2.4
170.01682	3.3
175.02469	1.3
175.03963	1.2
177.01878	2.2
178.05742	0.5
179.03439	1.4
179.05684	0.6
183.03149	0.5
183.10254	1.8
187.04050	0.8
188.04787	0.5
189.01917	1.7
190.02606	0.8
190.99817	1.2
191.03471	1.8
193.01421	1.1
201.01903	0.6
203.03549	0.9
203.07048	1.5
205.05127	1.0
207.00899	0.5
209.00912	1.1
211.02472	16.1
212.02788	1.2
216.00670	0.8
217.01411	4.8
218.01848	0.9
219.02972	0.6
223.02490	0.9
229.01398	1.0
229.05023	0.6
231.03006	0.6
241.03523	2.4
245.00932	5.1
245.08214	1.9
246.01593	2.3
247.02481	6.8
248.02849	0.6
253.03606	1.0
269.04904	2.1
269.55521	0.5
270.40634	0.5
271.04562	16.9
272.05060	1.3
273.00476	11.6
274.00854	2.2
289.07236	6.6
291.01526	0.7
300.99976	2.8
313.05725	25.9
314.06003	1.7
329.05121	0.8
331.06778	1.8
335.15155	1.1
341.06729	1.7
345.05652	1.3
345.15628	7.9
354.54712	1.8
364.55798	0.8
373.01880	0.8
374.02319	0.6
377.03082	0.5
409.54733	3.2
410.04898	1.8
410.54898	0.7
420.08682	0.7
421.05875	1.8
421.56119	1.8
435.13004	2.4
437.14505	1.2
453.17667	3.0
460.62881	0.5
466.55750	0.6
479.15369	1.4
482.05560	0.6
497.16666	100.0
498.09662	0.8
498.17062	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	497.1683
Annotation	Eucaglobulin
Peak:m/z	Relative Intensity
55.72075	0.2
57.03337	0.5
58.13620	0.2
59.01268	2.4
61.98720	100.0
63.99148	0.3
65.00192	0.2
66.00881	0.2
67.01764	0.3
69.03348	0.3
69.15565	0.2
69.23931	2.5
71.01271	1.5
72.99187	0.5
73.02843	0.2
78.95804	0.4
79.01794	0.3
79.34204	0.2
81.03355	0.5
83.01278	0.7
85.02863	0.4
87.00797	0.3
89.02366	0.7
90.63805	0.2
93.03367	0.8
95.01300	0.8
96.95915	0.2
97.02873	0.5
98.19738	0.5
101.02364	0.7
107.01290	2.4
108.80064	0.3
109.02856	0.7
111.00798	1.5
113.02363	0.4
119.04932	0.9
123.00807	3.2
123.04452	2.8
124.01624	0.7
125.02374	15.9
126.02721	0.4
127.00303	0.6
136.98753	0.7
137.02390	0.8
139.00325	1.7
139.03973	0.3
140.01131	1.4
141.01875	0.6
145.02893	0.4
147.04448	0.2
149.02361	0.7
151.00331	2.2
151.03935	0.7
153.02014	0.4
154.82565	0.2
157.48686	0.2
161.02359	0.6
163.00323	0.4
163.03951	0.3
164.01045	0.3
165.01910	0.7
166.93266	0.2
166.99858	0.3
167.02104	0.5
167.03470	6.8
167.54335	0.2
168.00592	5.4
169.01396	19.0
170.01736	0.7
177.01907	0.7
179.03429	0.7
189.02031	0.3
193.01427	0.4
209.00760	0.4
211.02487	24.1
212.02826	1.1
217.01395	0.9
241.03543	0.4
245.00902	0.7
246.01666	0.3
247.02544	1.0
248.03061	0.2
271.04651	34.8
272.05057	2.0
273.00626	1.1
273.07748	9.6
274.00854	0.3
274.08127	0.3
279.55850	0.2
289.07443	0.9
300.99921	0.3
313.05777	1.8
331.06815	5.9
332.07129	0.4
340.55228	0.3
341.65198	0.2
354.54547	0.5
404.68695	0.2
409.54797	0.3
410.05167	0.5
435.13120	2.1
497.16690	16.9
498.17181	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	497.168
Annotation	Globulusin B
Peak:m/z	Relative Intensity
57.03341	0.5
59.01270	0.8
61.98722	5.2
65.00239	0.4
67.01788	0.4
69.03334	1.9
69.71327	1.4
69.71748	0.5
71.01280	0.8
73.02847	0.3
81.03382	0.7
83.01288	0.8
84.92374	0.3
85.02863	0.4
87.00793	0.8
93.03358	0.7
93.89479	0.3
95.01306	1.3
96.95934	0.4
97.02866	1.4
100.53886	0.3
101.02365	0.5
107.01316	1.2
109.02865	0.9
111.00807	0.6
113.02387	0.5
121.02905	0.6
123.00791	3.2
123.04441	0.8
124.01574	4.0
125.02372	71.5
126.02676	2.4
129.32727	0.3
131.19371	0.3
133.02957	0.3
137.02364	0.8
139.00302	1.2
139.11226	0.4
140.01070	0.5
145.02870	0.4
149.00201	0.3
149.02350	0.6
151.00304	2.6
151.03967	1.2
152.00914	0.3
159.04492	0.3
161.02408	0.7
163.00380	0.5
164.01076	0.4
165.01872	0.5
166.05049	0.5
166.99861	1.4
167.03427	0.7
167.99184	0.6
168.00601	9.5
168.01959	0.6
169.01384	100.0
170.01717	3.7
177.01935	0.5
179.03532	0.3
183.00447	0.8
183.10188	0.4
193.01418	0.6
195.03061	0.3
203.03462	0.3
211.02400	2.4
235.02489	0.3
245.08421	0.4
247.02480	0.4
271.04272	1.5
289.07233	1.5
301.00027	0.8
313.05795	2.8
331.06772	3.7
391.89005	0.3
408.10535	0.3
453.17798	1.1
497.16760	79.9
498.17142	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	495.2613
Annotation	Melissoidesin D
Peak:m/z	Relative Intensity
59.01266	100.0
61.98722	17.2
63.78206	1.5
71.01265	11.7
71.61515	2.2
72.99221	1.6
73.02842	4.3
83.01292	3.0
85.02838	5.5
89.02367	2.1
99.00825	2.2
101.02370	8.3
107.01270	2.8
113.02364	6.0
116.79260	1.4
125.02325	3.3
125.70155	1.7
135.04463	4.7
151.00330	6.0
161.04488	6.0
164.01248	1.4
196.00104	2.6
199.04010	3.3
253.08646	3.8
273.18680	31.4
274.19034	2.8
275.67911	1.5
285.04208	11.8
286.04681	3.3
289.41153	1.6
435.23972	34.9
435.29196	2.0
436.24554	3.5
447.17947	3.0
495.13446	3.1
495.26697	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	497.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	1.7
61.98723	0.6
65.00209	0.6
67.01766	1.1
68.99686	0.3
69.03360	1.1
70.36328	1.2
70.36713	0.7
71.01271	3.5
72.99191	0.6
73.02819	0.6
79.01801	1.3
81.03336	0.5
83.01291	1.5
84.09130	0.3
85.02851	1.2
87.00798	0.9
89.02324	0.5
95.01292	2.2
97.02886	1.0
99.00765	0.7
101.02361	1.4
107.01293	7.9
107.02024	0.4
109.02871	0.6
110.00005	1.0
111.00796	4.5
113.02370	1.2
123.00796	16.1
123.04408	0.5
124.01579	1.5
125.02367	36.2
126.02692	1.4
127.00285	1.9
136.98746	2.0
137.02365	0.8
137.99554	0.9
139.00301	8.5
139.03960	1.3
140.01094	5.8
141.01855	1.6
151.00305	8.0
151.04030	0.5
152.01048	0.5
153.01881	16.4
154.02670	2.3
154.99898	0.3
155.03423	0.6
161.02461	0.4
163.00319	0.6
163.03999	0.5
165.01898	0.6
166.99854	1.0
168.00610	7.1
168.03119	0.2
168.04239	14.0
169.01382	44.3
169.04486	1.0
170.01703	1.4
178.99812	0.5
179.03497	0.4
181.01389	0.4
182.02197	0.8
183.02962	6.6
183.06499	2.0
189.01941	0.9
190.99992	0.5
193.01457	0.5
203.03548	0.6
205.01295	0.6
211.02437	1.4
219.02962	0.6
223.02519	0.6
232.03717	0.6
241.03380	0.6
247.02602	0.6
253.03677	0.6
259.02603	0.4
271.04816	0.7
287.02271	0.4
297.06165	2.1
300.99957	0.7
312.04959	0.4
313.05734	11.2
314.05994	1.0
327.07260	2.9
333.02707	0.7
350.02933	0.5
479.08356	0.5
482.10950	0.7
497.13086	100.0
498.13324	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	495.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	3.0
57.03341	2.9
58.00472	1.4
59.01265	57.7
60.01592	0.8
61.98708	2.8
69.03333	1.9
71.01272	52.6
71.15594	1.2
72.01601	0.8
72.99196	3.2
73.02837	20.2
75.00754	1.1
78.95805	0.6
81.03329	1.1
83.00798	1.1
83.01275	12.8
83.04872	0.5
85.02843	26.1
87.00767	2.3
88.98689	2.8
89.02339	9.3
93.03329	0.5
95.01280	4.4
97.02840	2.8
99.00777	7.3
101.02345	39.8
102.02666	0.6
103.03912	4.7
107.01281	1.1
109.02877	1.5
111.00816	1.2
113.02358	21.0
115.03898	0.6
119.03458	3.4
123.00779	2.3
123.04433	2.9
123.74751	0.5
125.02371	13.0
127.11225	1.0
129.01865	1.1
137.02335	1.1
139.00272	1.7
140.01051	1.1
143.03433	3.0
145.02893	1.0
145.04997	1.5
147.04378	0.7
149.02356	0.7
151.00287	2.1
153.05496	0.8
159.02940	3.8
161.02397	0.9
161.04504	16.7
163.03949	0.7
163.06053	3.1
166.99826	0.6
168.00635	2.6
169.01381	10.8
177.01863	1.7
179.05559	1.0
187.03900	0.7
189.01842	2.3
190.02643	1.2
191.03470	1.3
193.01324	0.5
205.03444	1.0
211.02451	7.6
216.00551	0.6
217.01410	2.1
219.02945	1.3
221.62556	0.5
225.47327	0.6
229.07170	0.8
247.08203	2.5
254.78574	0.6
271.04657	7.8
272.05246	0.5
273.14996	0.9
273.20721	1.6
275.02295	0.5
289.16629	45.4
290.16946	3.4
307.10419	1.3
313.05557	0.9
333.15778	0.7
341.06735	5.7
342.06952	0.7
344.10007	2.6
420.10641	4.0
435.10559	3.4
435.22379	100.0
436.22736	13.2
495.15051	8.7
495.19348	4.2
496.15649	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	495.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39269	1.4
51.87369	1.3
57.03347	5.2
58.00483	1.7
59.01268	100.0
61.98722	14.1
69.03351	3.9
69.67787	1.4
71.01274	62.0
71.07098	3.3
72.01620	2.0
72.99198	5.0
73.02837	30.2
75.00769	4.1
78.95834	1.6
83.01279	17.8
85.02844	29.7
85.99990	1.9
87.00768	6.6
89.02343	25.1
93.03342	2.1
95.01289	6.7
96.95911	2.5
97.02872	3.3
99.00790	5.9
99.04419	3.6
101.02351	78.7
103.03917	17.1
107.01303	2.6
109.02859	4.4
111.04483	1.3
113.02351	23.2
115.03928	1.6
119.03423	13.3
119.04936	2.0
121.02888	2.7
122.03643	2.4
123.00791	7.1
123.04449	3.6
124.01592	1.6
125.02365	29.7
127.03969	1.9
127.11200	1.7
131.03419	7.8
137.02403	10.7
139.00320	2.5
140.01125	2.9
143.03413	6.3
145.02902	7.1
145.05008	4.9
149.02359	2.5
151.00320	4.1
151.03926	3.3
159.02974	4.2
161.02353	1.7
161.04568	12.2
161.05960	2.8
163.03923	4.2
163.06087	56.8
164.01161	2.1
164.06384	2.2
165.01891	11.6
168.00613	2.0
169.01378	18.1
177.01883	2.7
179.03456	3.0
179.05614	1.7
180.06711	1.5
203.07047	2.2
205.05228	3.2
205.07159	23.2
245.00652	1.5
248.14578	1.5
249.06133	1.8
265.09320	5.8
271.06494	1.5
275.01950	1.8
286.98480	2.1
289.07239	4.9
289.16687	40.9
290.17065	4.4
301.00043	3.5
313.05411	1.5
314.97885	2.8
315.05191	2.1
343.04501	2.4
349.11264	4.2
374.15970	1.5
420.10492	1.8
420.18964	1.9
435.22479	83.5
436.22833	13.7
495.06235	2.8
495.19858	37.1
495.26495	3.4
495.63190	1.7
496.19986	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	495.246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.6
58.00485	3.7
59.01263	100.0
60.01583	1.3
61.98719	4.8
69.48709	6.5
71.01269	65.7
72.01604	1.0
72.99193	3.6
73.02825	11.7
76.06441	0.7
78.95798	1.3
83.01266	3.9
85.02849	8.4
85.66637	0.8
85.99978	1.3
87.00782	7.2
89.02335	90.6
90.02671	1.2
97.02851	1.8
99.00765	1.2
101.02345	46.1
102.02662	1.7
109.02872	1.3
113.02348	13.0
119.03423	7.1
123.00772	0.7
123.04433	1.5
125.02370	4.1
131.03426	44.2
132.03734	0.8
137.02330	1.0
143.03381	2.1
149.04494	89.3
150.04826	2.6
152.99525	3.4
161.02457	0.9
161.04509	1.9
165.01909	1.0
167.03358	1.6
169.01364	2.1
179.05591	1.2
191.05582	24.2
251.07722	2.2
293.08817	1.0
311.09894	1.4
331.21979	0.8
435.22455	51.3
435.29346	4.9
436.22571	6.9
451.17331	1.2
495.08286	2.0
495.16293	2.0
519.00122	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96424	0.7
53.20784	0.7
57.03341	13.2
59.01271	3.9
61.98712	1.7
69.03373	1.1
70.95580	1.5
81.03356	2.9
83.01270	8.1
83.74649	0.7
89.71844	0.6
93.03385	2.0
95.04934	2.0
97.02856	4.0
99.00785	1.3
107.22290	0.7
109.02859	17.0
111.00784	3.8
117.03385	0.8
120.48713	0.6
121.02884	3.1
122.03617	0.8
123.04435	8.7
125.02368	96.5
126.02719	2.5
135.04475	3.3
135.11746	1.9
137.02376	52.4
138.02721	1.4
139.03967	3.0
145.02892	22.1
146.03644	3.1
149.02382	10.8
150.03180	0.9
151.03949	6.4
157.06564	1.8
159.04462	11.5
160.05194	1.4
161.02403	1.8
161.06039	10.3
162.03172	1.9
163.03905	1.3
164.01102	2.9
165.01915	4.8
166.02605	0.8
167.03490	1.6
167.04913	1.3
173.05965	1.1
174.03174	0.9
175.03957	2.2
175.07608	2.3
177.05598	1.4
177.52371	0.7
179.03450	4.1
179.10735	13.9
181.06485	0.9
183.04475	3.4
184.05069	0.8
185.02365	0.8
185.06050	8.4
187.03983	7.6
188.04782	3.7
199.07707	0.8
201.05589	4.2
202.06317	1.2
203.07114	16.5
204.07542	1.0
205.05074	6.3
209.06085	3.1
211.04015	2.0
212.04518	0.9
213.01947	1.1
221.08186	1.7
223.09734	8.6
223.21048	0.9
225.05559	1.4
227.03546	1.6
227.07169	5.9
229.04967	3.4
230.02232	1.6
230.05836	1.7
245.08215	13.1
246.08624	1.5
247.06224	1.3
253.05089	17.8
254.05508	2.6
256.03848	1.2
271.06180	62.1
272.06491	5.8
289.07245	100.0
290.07578	9.7
301.14505	6.6
313.14886	1.1
345.13544	3.6
357.13351	3.6
365.17645	1.6
407.18716	8.1
408.19281	1.0
451.17535	3.5
495.16418	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	495.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80716	0.5
52.19686	0.4
57.03340	14.7
57.84818	0.4
58.07162	0.4
59.01266	4.3
61.98722	1.6
69.03355	1.4
71.01282	1.3
74.90088	0.4
78.95802	1.0
81.03363	3.1
83.01278	7.8
83.04928	0.8
85.02862	0.5
89.07536	0.4
93.03362	2.4
95.01308	0.4
95.04936	0.9
97.02859	2.9
101.02343	0.9
105.03332	0.5
107.01267	0.6
108.02118	0.6
109.02864	14.1
111.00800	3.7
111.04414	0.5
113.02367	0.5
115.05430	0.4
117.03390	1.3
121.02866	2.5
122.03671	1.0
123.00832	0.8
123.04441	6.5
125.02369	100.0
126.02733	3.0
133.02859	0.9
133.06465	0.6
135.04459	1.9
135.11711	1.0
136.05159	0.6
137.02377	50.8
138.02646	2.0
139.03970	1.9
143.04930	0.8
145.02895	25.2
146.03700	3.7
147.04454	0.4
149.02391	7.6
149.06036	0.4
150.03162	0.8
151.03955	3.7
152.04341	0.4
157.06554	1.0
159.04462	11.3
160.05048	0.7
161.02390	2.3
161.04764	0.4
161.06032	9.2
162.03235	0.7
163.03967	0.8
164.01147	1.5
165.01924	2.5
165.09178	0.6
167.03458	1.4
167.04745	0.4
169.01372	1.1
173.06044	1.0
174.03174	0.6
175.03957	1.9
175.07590	1.4
177.05565	0.4
179.03445	2.9
179.10735	6.7
181.06534	1.0
183.04495	3.6
183.08147	0.4
184.05199	1.0
185.02348	0.8
185.06075	6.8
186.06444	0.5
187.03992	6.4
188.04710	2.5
194.05978	0.4
197.06097	0.6
199.07635	1.4
201.05563	4.9
202.06248	1.4
203.07126	12.9
204.07458	0.7
205.05107	3.7
209.06013	2.6
211.04021	2.2
212.04672	0.6
213.01929	1.2
219.06558	0.6
221.08205	1.4
223.09763	4.8
225.05510	2.1
227.03546	1.0
227.07153	6.0
228.07610	0.6
229.05063	3.0
230.02269	2.1
230.05736	0.7
231.02943	0.6
235.04059	0.6
243.06512	0.5
245.08220	8.3
246.08514	0.8
247.06213	0.5
253.05103	17.2
254.05457	1.4
256.03806	1.0
271.06183	69.8
272.06540	5.2
273.20734	0.5
289.07245	53.5
290.07559	5.0
301.14517	5.3
345.13513	4.6
357.13507	6.2
358.13693	1.0
362.10858	0.5
365.17636	2.2
375.38467	0.5
407.18582	3.7
408.19138	0.5
435.29422	0.7
451.17654	6.0
452.17761	0.8
495.16599	18.7
495.32861	1.4
496.17297	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	495.1316
Annotation	CHEBI:70259
Peak:m/z	Relative Intensity
51.08249	0.3
57.03341	7.9
58.00480	1.7
59.01266	59.5
60.01601	0.8
61.98723	5.1
65.00219	0.6
67.01780	0.6
69.03342	2.0
71.01274	29.4
71.58570	0.5
71.58955	0.4
72.01592	0.4
72.99203	2.8
73.02839	11.9
75.92080	0.3
77.03844	0.4
78.31891	0.4
79.01776	0.5
81.03347	3.9
83.01279	9.9
83.04919	0.5
85.02848	9.9
85.99989	0.7
87.00775	4.5
87.04408	1.5
89.02342	26.0
91.01734	0.4
93.03373	2.5
95.01280	3.4
95.04926	3.0
97.02850	7.9
99.00778	1.2
99.01384	0.3
99.04424	0.8
101.02353	34.8
102.02691	1.0
103.03922	8.0
105.03331	0.3
107.01308	2.0
107.04957	0.7
108.02074	1.2
109.02869	22.6
109.06519	0.4
110.03205	0.6
111.00812	1.8
111.04462	0.7
113.02366	9.5
115.03956	2.4
115.05390	0.4
117.03397	0.8
119.01342	1.6
119.03419	10.6
119.04868	0.6
119.70985	0.4
121.02873	6.4
122.03641	1.3
123.00790	3.0
123.04445	13.3
124.01567	1.1
125.02371	54.8
126.02724	1.5
127.03934	0.7
131.03442	5.3
131.04970	0.4
133.02899	0.8
135.04454	2.9
137.02380	30.6
138.03047	1.3
139.00275	1.1
139.03947	3.7
140.01091	1.5
141.01857	0.7
143.03447	7.2
143.04898	0.6
145.02892	10.7
145.04990	3.1
146.03691	2.5
147.00822	1.1
147.04466	0.9
149.02390	12.2
149.04482	0.7
149.06029	0.5
150.03197	2.2
151.00311	1.1
151.03957	8.3
152.01105	1.0
153.01816	0.4
157.06549	0.8
159.04469	5.5
160.05185	1.3
161.02399	3.0
161.04530	2.6
161.06030	6.8
162.03186	2.9
162.06398	0.5
163.00299	0.7
163.04091	3.3
163.06075	32.2
164.01123	3.5
164.04765	5.3
164.06241	0.6
165.01892	27.8
166.02298	1.6
166.99806	0.4
167.03459	2.8
168.00600	1.1
169.01389	9.6
169.04970	0.5
173.02435	0.5
173.06079	0.8
174.03159	0.9
175.00320	9.0
175.03963	2.1
175.07692	1.8
176.01025	0.8
177.01904	4.0
177.05522	0.9
179.03462	5.5
179.05563	4.9
179.07108	1.9
179.10701	1.1
183.04492	0.9
184.05261	0.6
185.06079	3.3
187.03986	6.6
188.04732	4.2
189.01956	2.4
189.05400	0.6
190.02696	22.4
191.03427	2.8
193.01445	1.9
199.07610	1.3
201.05569	1.9
202.06366	1.8
203.03503	1.0
203.07129	12.9
204.07587	0.8
205.05055	28.4
205.07149	12.9
206.05411	1.3
206.07471	0.5
208.03792	4.0
209.04179	0.6
209.06100	0.5
211.02364	0.8
211.04170	0.8
212.04773	0.7
217.01518	1.7
217.05141	0.5
217.08673	0.7
219.03012	0.7
221.08195	3.0
223.06139	11.5
223.09595	0.6
224.06400	0.7
225.05582	1.3
227.03470	0.5
227.07138	2.9
229.05029	1.2
230.02145	0.6
230.05676	0.8
231.02945	1.1
243.06714	0.6
245.08223	15.0
246.08536	1.2
246.98849	0.5
247.06137	0.9
247.08463	0.5
253.05125	3.3
255.58202	0.4
257.58063	0.3
265.09332	2.6
269.04767	0.4
271.06204	11.3
272.06644	0.9
281.04660	0.5
283.06195	0.7
289.07263	100.0
289.16196	2.7
290.07602	8.2
297.08005	0.5
300.99963	1.0
303.18365	0.6
307.10489	0.4
313.05618	1.6
313.11005	0.8
315.05273	0.9
315.08701	0.6
329.10388	5.9
333.13489	1.5
333.20782	0.7
341.06757	4.5
342.06943	0.6
344.10156	3.7
345.09982	2.8
355.08136	0.6
357.13531	0.5
375.10736	0.5
407.18976	0.8
420.10721	5.1
435.22427	38.8
436.22806	3.3
451.16193	1.7
477.12119	0.8
495.13065	3.4
495.18863	6.9
495.26471	1.1
495.61209	0.5
496.11481	3.5
496.19177	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.6
59.01265	100.0
60.01606	1.1
61.18282	0.8
61.36897	0.6
61.98716	8.3
62.59576	0.6
63.02285	1.5
65.00212	9.5
71.01267	9.5
71.58186	0.7
72.99195	1.6
73.02822	3.5
80.02571	1.3
83.01283	6.5
85.02842	6.0
89.02351	2.1
95.01310	1.8
98.25634	0.7
99.00794	1.4
99.04467	1.4
101.02337	8.4
103.14904	0.7
107.01301	12.5
108.02078	6.2
109.02951	0.9
111.00797	0.7
113.02341	3.9
113.63149	0.7
123.00837	0.8
124.01627	1.3
125.02365	7.1
133.02911	2.0
134.03665	6.7
135.04453	29.3
136.01558	5.1
136.04778	1.6
137.02364	1.0
145.02892	2.1
147.04460	2.1
149.02423	0.7
151.00310	33.7
152.00877	1.1
155.04982	2.8
158.03688	0.9
159.02917	1.0
159.04485	0.9
160.01636	1.4
161.02382	3.1
161.04515	5.2
161.05766	1.0
163.04024	0.9
163.99802	1.1
164.01099	7.9
164.04761	2.2
165.01865	2.3
169.01395	3.1
171.04489	3.0
174.03217	5.3
175.03979	5.3
176.04788	2.0
177.01932	2.0
179.03493	2.9
179.07104	2.6
185.02426	1.0
185.06053	1.4
187.04016	2.5
189.05583	2.5
191.07149	0.8
194.05907	2.9
196.00098	11.3
196.05389	0.7
197.06190	1.4
198.03244	2.0
199.03996	20.5
200.04520	1.5
201.01909	6.0
209.08211	3.7
213.05615	3.2
215.03568	4.9
216.04324	0.9
217.05038	3.4
223.04054	0.7
229.05147	1.1
239.03448	1.5
240.04405	1.7
241.05119	5.9
242.05890	3.1
243.03053	1.4
257.04605	9.6
258.05310	1.2
273.18677	37.3
274.19019	1.5
285.04117	86.3
286.04700	17.7
287.05563	3.6
299.05664	1.4
301.07413	2.0
333.20865	0.9
353.18106	0.8
424.70721	0.7
435.23990	36.5
436.24472	3.8
465.11993	6.9
466.12341	1.0
477.12094	6.7
495.13092	20.8
495.20193	1.1
495.25604	1.1
496.13431	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	495.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32171	0.9
59.01266	14.5
61.98711	7.3
63.02293	1.3
65.00211	10.5
69.65432	6.6
71.01274	1.6
78.69327	0.9
80.02547	1.3
83.00858	0.9
83.01278	5.8
85.02836	1.1
89.02341	1.9
95.01290	1.8
101.02368	2.5
107.01295	16.2
108.02105	7.8
114.91333	1.0
123.04395	1.0
124.01594	1.4
125.02370	8.4
132.02113	1.0
133.02901	1.9
134.03674	9.5
135.04457	37.3
136.01570	6.1
143.55641	1.0
147.04478	2.6
149.02356	1.7
151.00322	42.0
155.04982	3.8
159.04482	1.0
160.01622	1.3
161.02382	4.9
161.04588	1.5
161.05981	1.1
164.01115	10.1
164.04733	1.7
165.01819	1.7
169.01378	3.1
169.06517	1.0
171.04482	2.6
173.02414	1.9
174.03186	7.6
175.03918	5.9
176.04616	1.8
177.01892	3.0
177.05302	0.9
179.03484	3.8
179.07111	1.1
185.06047	1.7
187.03972	2.6
189.05542	2.2
191.07210	1.2
194.05856	2.8
195.06567	0.9
196.00125	15.7
197.06021	2.4
198.03224	1.4
199.03998	25.8
200.04456	2.3
201.01906	6.5
201.05750	1.1
209.08247	5.7
211.04155	1.3
211.13466	1.1
213.05548	3.2
215.03548	5.0
217.05075	3.8
229.05008	1.0
239.03479	1.4
240.04266	2.0
241.05115	7.9
242.05815	3.4
243.03009	1.8
257.04626	11.9
258.05283	2.4
267.02994	1.2
285.04135	100.0
286.04745	20.3
287.05508	3.5
301.07248	3.1
343.11978	1.1
369.09866	1.3
435.23965	1.5
435.29572	2.5
465.11972	6.8
466.12210	1.1
477.11862	6.3
495.13116	21.9
495.20346	1.9
496.13605	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01276	0.8
67.01764	1.5
69.03335	1.1
70.05280	1.2
70.05684	2.6
85.02837	1.3
93.03366	6.0
95.01287	1.1
96.95937	0.8
98.20518	0.9
99.04423	0.6
107.01308	4.9
111.00819	1.1
111.04432	2.1
112.16209	0.7
123.00800	1.5
124.01615	0.8
125.02368	36.5
126.02682	1.6
132.93080	0.7
137.02402	2.2
155.03479	2.2
163.00307	1.4
166.99774	1.0
168.00566	1.7
169.01378	100.0
170.01727	4.3
173.04503	23.3
173.06004	1.2
174.04851	0.8
175.04015	0.7
190.38478	0.7
191.05579	16.3
193.01447	1.5
211.02478	1.0
300.99927	4.8
307.04745	0.8
325.05728	8.0
326.06052	0.9
343.06769	66.0
344.07135	5.7
495.07816	15.1
496.08426	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21564	4.0
59.01255	7.8
60.70752	3.3
61.53742	4.1
63.02282	4.6
65.00196	8.0
65.76849	4.0
71.01266	7.4
71.60114	5.0
81.03353	4.1
83.01270	9.2
85.02836	5.6
93.03352	7.5
95.01289	10.6
97.02854	5.6
99.00772	15.6
99.02875	4.3
101.02333	4.9
107.01298	13.0
109.02878	26.1
110.00028	5.8
111.00796	21.1
114.14079	3.7
121.02886	5.1
123.00822	20.2
123.04436	4.5
124.01566	5.3
125.02350	23.6
127.00296	8.4
133.02882	10.1
134.93573	3.6
135.00888	4.9
137.02386	22.4
139.00284	35.8
141.01843	8.4
143.04942	5.0
145.02853	5.1
145.99687	3.8
147.04459	6.9
148.01637	5.7
149.02376	16.4
151.00301	40.7
151.03973	3.8
152.01016	6.9
153.01859	4.1
154.99800	36.1
155.03511	4.2
159.04449	14.6
161.02357	7.1
163.00288	13.8
163.03998	7.1
165.01865	11.0
165.99034	10.0
166.99828	37.1
168.00551	5.8
169.01373	7.9
171.04414	6.7
173.02437	7.2
175.00325	7.2
175.04034	9.2
177.01862	21.8
177.98869	4.0
178.99820	45.5
181.01421	28.0
184.00111	13.5
185.02402	7.0
187.03946	15.4
189.01915	9.2
189.05603	4.7
190.02698	6.5
190.99889	6.5
191.03441	9.3
193.01411	13.7
193.98480	5.4
194.99362	32.6
195.03079	5.8
199.03992	8.6
201.01855	9.1
203.03439	15.8
205.01552	10.2
206.01997	5.4
206.99399	5.5
208.00105	6.3
209.00864	8.0
211.99593	4.1
213.01956	8.1
214.02577	6.1
215.03465	15.9
217.01440	12.1
218.02216	4.7
219.02933	10.8
221.00977	6.7
229.01440	11.3
230.02185	6.6
231.03020	20.4
232.03517	7.7
233.04567	11.4
241.01462	13.4
242.02089	5.2
243.02983	25.7
245.00885	9.4
247.02637	8.1
258.01578	5.2
259.02493	45.6
261.04105	18.1
269.01041	6.4
270.01709	5.2
271.02499	9.2
274.01215	9.0
275.02066	25.0
277.03616	15.0
285.00549	8.4
285.03922	7.0
286.01288	5.7
287.02045	100.0
288.02301	6.0
300.02826	12.7
301.03577	16.4
303.01508	27.9
304.02057	5.5
305.03134	23.1
312.99832	7.0
313.03458	7.1
315.01581	38.2
317.02676	5.9
327.07449	4.4
331.01065	56.9
331.04648	7.5
332.01355	5.4
339.07205	13.3
341.08957	11.9
348.01224	5.5
348.05133	5.1
349.02023	12.4
355.06882	6.5
359.06216	45.5
363.44177	4.7
385.07999	5.7
421.07849	9.9
423.09399	6.1
447.09399	7.3
451.08740	10.7
462.08490	7.0
465.10480	9.2
466.39883	4.6
477.06961	13.3
495.07004	53.9
495.17633	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	495.079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16632	0.9
55.02878	0.9
55.45108	0.8
59.01243	4.4
60.05136	0.9
63.02269	2.1
65.00208	5.6
67.01768	1.5
68.99686	1.3
69.38894	8.3
71.01228	1.3
79.01765	1.9
83.01280	1.9
86.87135	0.9
95.01305	4.7
97.02814	1.2
99.00783	2.6
104.99682	1.1
106.00512	3.2
107.01294	8.3
109.02854	1.3
110.00004	2.1
111.00797	9.4
117.03394	1.0
119.04924	1.2
120.99267	1.5
121.02842	2.1
123.00812	10.4
124.01535	1.5
124.98694	1.8
125.02364	13.6
127.00275	2.0
131.04985	1.0
135.00812	2.2
136.98715	2.5
137.02345	3.8
139.00282	12.6
140.01044	3.6
141.01903	2.0
145.02850	2.2
147.04419	1.6
148.98724	2.1
149.02370	2.6
149.99512	4.9
151.00314	35.5
152.00923	3.3
153.01877	4.8
154.99796	4.4
159.04483	4.4
161.02370	3.8
163.00342	5.4
163.03955	2.0
164.01050	1.5
164.98213	3.3
165.01897	4.9
165.98961	1.4
166.02597	1.4
166.99828	8.7
168.00603	9.7
169.01447	5.7
169.02719	1.4
171.04370	1.1
173.02368	2.4
175.03952	6.0
176.98137	1.0
177.01912	5.1
177.99107	4.4
178.99821	76.6
180.00284	3.6
181.01340	2.0
185.02440	1.2
187.03926	4.2
189.01930	4.6
190.02652	2.9
190.99867	6.0
191.03508	5.3
192.00577	2.6
193.01387	9.2
194.99330	8.6
195.99782	1.7
197.00902	5.7
201.01883	1.8
202.02655	1.4
202.99782	1.1
203.03505	11.2
204.97778	2.4
205.01396	5.2
205.05026	1.1
206.02045	1.4
206.99342	4.5
207.02986	1.6
208.00085	1.7
209.00900	2.3
213.01929	4.6
215.03499	5.9
217.01447	5.9
218.01990	1.3
219.03040	5.2
221.00859	2.2
222.01640	2.0
222.98825	6.0
223.02365	1.7
223.99437	1.2
229.01463	3.1
230.02209	2.0
231.02972	13.4
232.03549	1.3
233.00829	2.3
233.04570	6.6
234.01653	1.2
235.02170	1.2
241.01439	3.0
243.03035	6.7
245.00845	4.9
246.01686	1.8
247.02498	4.2
248.03230	6.9
249.03925	2.0
257.00916	2.8
258.01563	1.3
259.02509	18.3
260.02817	1.4
261.00418	15.7
261.03964	3.3
262.01068	2.7
263.01834	2.5
269.00684	1.5
274.01233	2.8
275.01929	3.7
276.02664	2.3
277.03555	3.5
285.00385	4.1
286.01123	1.6
287.02039	46.5
288.02435	5.6
300.99939	1.1
302.00769	2.4
303.01523	21.8
304.02063	6.5
305.02982	5.8
306.03610	1.0
312.99957	7.0
315.01492	2.2
316.02261	1.5
330.00082	2.3
331.01019	100.0
332.01456	11.6
343.06821	11.6
344.07312	3.4
348.01212	9.9
349.02118	7.1
353.05231	1.5
355.06796	8.3
395.09976	2.3
407.06210	1.6
423.09143	1.5
449.07413	1.1
451.08859	8.0
452.09253	1.3
477.06931	12.8
478.06873	1.2
495.07855	33.3
496.08218	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	493.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69498	14.3
70.08586	68.2
98.20493	16.2
116.01839	16.6
120.98893	14.4
138.52386	18.7
167.13278	15.5
283.13358	15.4
314.19745	15.9
346.41086	18.5
349.85269	14.7
493.34515	100.0
494.35400	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	494.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.4
61.98721	100.0
78.51234	0.2
90.87291	0.2
93.03516	0.2
98.19704	0.4
107.01359	0.3
109.02885	0.3
151.00348	0.4
169.01434	0.3
213.81354	0.2
227.03510	4.3
228.03833	0.4
229.05133	0.7
230.19261	0.2
245.96242	0.2
255.03029	7.1
256.03732	1.1
257.04623	0.3
259.02307	0.3
284.03326	9.3
285.04095	8.6
286.04456	0.7
375.39151	0.2
431.09930	20.8
432.10287	2.9
494.14191	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43708	0.9
54.64700	0.8
55.01775	1.5
57.03334	2.6
58.00478	3.0
59.01266	96.7
61.98706	3.4
63.87267	0.8
69.03330	0.9
69.34061	2.1
69.34460	7.9
71.01270	74.7
72.01595	1.0
72.13411	0.9
72.99193	5.0
72.99545	0.9
73.02834	9.6
75.00758	3.2
79.17488	0.8
83.01280	4.7
85.02840	12.4
85.99995	1.2
87.00768	6.4
89.02337	100.0
90.02657	2.2
93.03346	1.2
95.01300	2.3
97.02860	1.3
98.02411	0.9
99.00784	2.1
100.01704	0.8
101.02345	52.4
102.02691	1.1
108.02116	1.0
109.02877	2.1
110.02287	0.8
111.00787	2.7
113.02357	17.4
119.03416	11.0
123.00796	1.0
123.04411	0.8
125.02366	8.9
130.77448	0.8
131.03430	46.3
132.03786	1.1
133.50085	0.9
137.02371	2.6
137.75856	0.9
143.03421	3.4
144.78839	0.8
145.02859	1.5
149.04498	94.4
150.04865	2.3
161.02321	1.2
161.04523	3.1
163.94720	1.0
166.18874	0.9
168.00717	0.8
169.01389	4.8
177.01907	1.1
179.05582	5.0
189.01869	1.3
191.05579	19.1
233.06688	1.3
245.04176	1.0
251.07715	2.3
271.19202	5.5
289.07214	1.7
300.99954	2.5
301.16602	7.1
311.10187	1.3
343.63837	1.1
412.09109	2.7
422.17886	0.9
433.20682	52.5
434.20950	5.3
493.13480	1.1
493.30200	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	491.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33738	17.3
70.04760	100.0
70.85364	17.0
84.58855	17.9
89.23916	16.7
93.39352	16.2
348.76172	21.4
365.64117	20.3
491.33530	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	493.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78706	0.3
55.01789	0.6
56.06964	0.4
58.00479	0.4
59.01261	5.7
59.01539	0.5
61.98712	0.7
65.00213	0.7
67.01778	1.3
69.03354	0.7
71.01272	3.3
71.60075	0.6
72.99206	0.6
73.02837	0.6
75.00752	0.5
79.01825	0.5
81.03360	0.3
83.01289	1.2
85.02843	1.1
87.00781	0.8
89.02356	2.0
93.03352	0.5
95.01296	1.6
96.95926	1.7
97.02879	0.4
99.00794	0.4
101.02352	1.7
107.01301	6.5
108.01633	1.0
109.01691	0.4
109.02858	0.7
109.99988	0.5
111.00803	4.3
113.02363	1.6
119.03450	0.5
119.04935	0.5
121.02868	0.9
122.03687	0.3
123.00793	4.2
123.04425	0.4
123.11359	0.4
124.01532	2.2
125.02369	34.4
126.02697	3.7
127.00314	1.1
127.02846	1.0
133.02904	0.9
135.04492	0.5
136.98708	1.7
137.02386	1.2
139.00301	6.3
139.03951	1.0
140.01131	3.1
141.01920	0.6
145.02895	1.2
147.00839	0.5
147.87476	0.3
149.02359	0.5
151.00333	1.5
151.03947	0.5
155.45979	0.3
161.02406	2.8
161.04497	0.7
161.06003	0.3
163.00311	2.4
163.03938	0.8
164.00688	0.7
165.01927	1.5
165.05278	0.4
166.99817	9.7
167.02110	0.4
167.03462	1.4
168.00592	16.1
169.01384	49.8
170.01724	6.4
171.01932	2.5
175.03970	0.5
177.01875	0.6
181.01389	0.5
183.02975	0.5
185.00923	2.1
185.02377	0.6
189.01927	0.7
190.99759	0.4
201.01962	0.5
206.99156	0.5
208.00099	0.4
208.07518	0.3
209.00911	0.5
211.02478	64.8
212.02835	3.2
217.01544	0.4
225.04019	0.6
229.01501	0.7
241.03595	1.4
245.00822	0.7
247.93416	0.4
257.00751	0.6
269.98172	1.8
270.98734	2.5
271.04648	100.0
271.98648	2.0
272.04968	6.2
273.00519	0.6
274.00970	0.5
275.01938	1.0
276.02328	0.6
284.06686	0.3
285.00378	1.2
285.06189	0.6
286.00650	0.8
286.68640	0.4
287.01041	1.7
297.97687	3.2
298.97974	3.3
299.98120	5.3
300.99969	7.6
302.00388	5.9
303.00510	3.7
304.00775	1.5
312.99991	5.0
313.05502	1.7
314.00330	5.5
314.06046	0.4
314.97025	0.6
315.00519	11.9
328.02307	3.1
329.02496	3.3
330.02917	7.7
331.06769	17.4
332.07184	1.2
353.72949	0.4
361.16391	0.5
378.53845	0.5
432.53458	0.8
433.24612	0.9
454.04315	0.9
454.54434	4.9
455.04379	1.3
462.54822	0.5
469.54730	0.6
476.53821	1.0
478.06436	1.1
493.08896	17.1
493.14087	12.8
493.29691	0.8
494.08704	1.5
494.14081	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	491.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.0
57.03332	1.2
58.00478	1.3
59.01266	30.6
61.98711	3.0
69.03309	0.6
69.61137	3.2
71.01271	18.5
72.99193	2.7
73.02831	1.7
75.00755	1.3
80.09642	0.4
83.01279	1.6
85.02844	4.9
86.02375	0.4
86.74875	0.5
87.00769	1.2
89.02342	13.2
93.03331	0.5
95.01287	1.6
96.95922	0.5
97.06548	0.5
99.00743	0.8
99.08044	1.1
101.02351	9.9
107.01278	0.8
113.02361	6.0
117.03384	11.6
118.03796	0.5
119.03425	4.5
119.04948	4.4
121.02824	0.6
123.00784	0.8
125.02345	3.1
127.11229	0.7
131.03436	0.4
137.02402	0.9
138.02603	0.5
139.11200	1.2
143.03445	0.5
145.02890	44.1
146.03241	2.3
149.09642	0.5
151.00270	0.4
151.03825	0.5
157.12288	0.5
159.04434	0.4
161.04489	1.4
161.06006	1.4
163.02690	0.6
163.03963	8.3
163.11241	0.7
164.04436	0.5
169.01358	3.3
171.10196	4.1
177.05461	0.5
179.05591	1.9
183.13916	0.9
187.03955	2.4
205.01308	0.4
205.05014	0.8
209.11908	0.6
211.13417	4.9
222.70193	0.4
229.14473	5.5
249.22162	0.6
269.11829	0.7
269.17621	1.5
293.21298	8.1
294.21710	0.5
297.97687	0.6
300.99954	1.2
307.08432	0.8
311.16467	1.4
311.22342	5.2
312.22672	0.5
312.99890	1.2
328.02292	0.5
329.17618	0.7
329.23395	10.3
330.23822	1.1
431.22571	0.7
476.03687	0.5
491.28693	100.0
492.21057	0.8
492.29031	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	491.1209
Annotation	Burkinabin B
Peak:m/z	Relative Intensity
50.88158	0.3
59.01266	4.7
61.98700	0.4
64.25159	0.3
65.00217	0.3
67.52866	0.3
68.99722	0.3
69.03350	0.7
71.01279	3.7
71.16151	0.6
73.02840	1.2
74.02367	0.7
75.00774	0.4
77.65189	0.4
81.03349	1.1
83.01268	0.6
85.02835	2.1
87.00755	0.5
88.98721	0.7
89.02339	1.4
93.03344	0.5
95.01282	2.0
97.02810	0.4
99.00798	0.5
101.02337	1.7
105.03428	0.4
106.31254	0.3
107.01285	0.9
107.05001	0.4
108.02081	51.8
109.02880	30.9
109.03967	0.5
110.03197	0.9
110.99801	0.3
111.00790	0.8
113.02349	1.6
114.60276	0.3
117.03369	1.2
119.04957	1.1
120.99551	0.4
121.02884	1.9
123.00784	2.1
123.04454	1.3
125.02371	3.9
132.02101	6.0
133.02876	4.0
134.03673	7.7
135.00812	0.7
135.04489	2.4
136.01608	0.4
137.02388	1.3
139.00351	0.8
143.65964	0.3
145.02893	1.5
147.04393	0.4
149.02419	0.5
149.06007	1.3
151.00343	0.8
151.03922	1.5
152.01094	62.6
153.01891	28.3
154.02243	1.1
160.01610	26.6
161.02400	16.6
161.04517	0.8
162.02815	0.6
163.00278	0.6
163.03969	2.0
165.01906	1.1
166.02698	0.5
166.99791	1.0
167.03412	0.5
168.00577	0.4
169.01382	2.8
175.03970	24.7
176.04326	1.5
177.01886	0.8
177.05516	0.6
178.02670	0.6
179.03508	2.3
179.05315	0.3
193.05014	3.4
201.01982	0.3
203.03531	0.4
205.01396	0.4
217.05013	0.5
221.04666	0.5
227.03435	0.9
228.04314	0.5
229.86900	0.4
237.04308	0.4
241.04942	0.4
241.30348	0.4
242.05859	0.4
243.06662	0.9
253.05000	0.4
255.03076	0.6
256.03445	0.4
273.00342	0.4
284.03320	0.5
285.03922	0.6
285.07773	0.4
286.04144	0.4
297.97675	0.4
300.99991	1.5
312.99933	0.7
315.07306	16.8
316.07703	1.0
323.07803	3.3
324.08066	0.6
337.09354	0.7
341.06699	0.4
421.05542	0.6
431.22992	0.7
447.12985	1.4
459.09436	1.4
476.05307	0.4
491.12057	100.0
492.12451	14.5
492.24475	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	491.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.3
59.00987	0.5
59.01268	6.8
61.98722	1.1
63.02296	0.3
65.00200	0.4
67.01773	0.5
71.01276	1.3
75.02294	0.6
83.01277	0.3
83.04945	0.3
85.02840	0.7
89.00224	0.4
89.02344	0.4
91.01787	2.9
93.03345	0.5
95.01277	0.9
95.04897	0.4
101.02366	0.7
103.01816	0.7
105.03336	0.3
107.04926	0.6
107.58811	0.3
108.02081	2.7
109.02901	1.3
111.00850	0.3
113.02373	0.4
119.01295	4.2
119.04932	0.6
120.02097	0.3
121.02881	1.7
123.00801	0.4
123.04452	0.7
124.01570	0.5
125.02351	1.0
131.01318	3.3
132.02110	0.5
133.02881	1.0
134.31395	0.3
135.00807	0.4
135.04436	1.5
136.01605	0.5
137.02368	1.5
140.01109	0.3
145.02835	0.7
145.03915	0.3
147.00824	16.8
148.01622	4.7
149.02380	1.2
149.04436	0.3
151.00308	0.8
151.03983	1.6
153.05444	0.3
159.00845	3.5
163.00314	1.2
163.03952	1.6
164.01019	0.5
165.01886	1.1
169.01436	1.3
172.01566	0.3
173.02318	0.4
173.58197	0.3
175.00339	17.3
176.01108	19.0
177.01877	2.4
178.99803	0.8
179.03447	3.2
190.02692	2.1
190.99860	2.3
191.03479	8.3
192.00612	2.5
192.03790	0.3
193.01418	1.3
201.01888	0.5
202.99854	28.7
204.00206	1.6
205.01407	0.8
207.02988	3.8
209.00893	0.7
215.03558	0.6
218.99434	2.0
220.00102	1.6
221.00961	6.9
228.00696	0.7
229.01335	0.6
229.05086	0.4
235.02510	21.2
236.02742	1.3
244.07466	0.7
246.98882	27.8
247.99283	1.9
256.00159	0.5
259.02353	0.3
260.03226	0.3
271.06219	0.8
279.01532	100.0
280.01855	6.1
287.01904	0.5
288.02786	0.4
297.97586	0.4
303.08948	0.4
312.99872	0.5
315.05341	0.9
328.02206	0.4
332.01743	0.6
347.07855	0.8
363.03864	0.4
383.07498	0.3
431.26831	1.5
459.09024	0.7
491.12323	6.3
491.28342	1.5
492.12399	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	6.0
61.98729	2.3
65.00198	0.6
67.01764	0.5
69.30363	0.4
71.01280	1.1
71.61549	0.5
72.99220	0.6
73.02851	0.6
75.02287	0.9
78.95778	0.7
85.02831	0.5
89.02363	0.7
91.01787	3.2
93.03368	1.2
95.01262	0.9
97.85972	0.4
101.02380	0.9
104.29574	0.5
104.52742	0.4
107.04939	1.2
108.02091	2.5
109.02848	1.9
113.02320	0.7
119.01320	5.1
119.04926	0.6
121.02908	2.4
123.00809	0.6
123.04409	0.9
124.01585	0.6
125.02347	1.7
131.01317	4.5
133.02879	1.2
135.00789	0.5
135.04463	1.3
136.01587	0.6
137.02383	1.6
145.02953	0.7
147.00826	18.4
148.01634	4.7
149.02348	1.4
150.03209	0.6
151.00285	0.5
151.03947	1.3
159.00850	4.0
161.02353	0.7
163.00302	0.9
163.03951	1.7
164.01100	0.7
165.01889	1.5
169.01375	1.0
175.00334	18.7
176.01109	21.1
177.01732	1.8
178.99884	1.0
179.03461	3.5
190.02669	2.2
190.99907	2.5
191.03493	6.2
192.00584	2.5
192.03699	0.4
193.01332	1.3
202.99843	30.0
204.00323	1.4
205.01405	0.6
206.81483	0.4
207.02963	4.8
208.03465	0.6
209.00912	0.5
215.03383	0.4
218.99353	1.9
220.00081	1.4
221.00909	6.6
224.34358	0.5
227.07063	0.5
235.02502	19.2
235.87596	0.5
236.02794	1.3
246.98877	28.0
247.99251	1.8
256.00214	0.6
264.04324	0.5
264.14871	0.5
271.06158	1.4
279.01529	100.0
280.01862	7.4
300.99933	0.6
303.08664	0.5
312.99969	0.8
315.05304	1.5
328.02460	0.6
332.02057	0.6
339.94650	0.4
347.07770	1.0
363.03516	0.7
431.26660	0.7
459.09357	1.4
491.12076	6.7
491.28693	0.6
491.31613	0.6
492.12561	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0842
Annotation	2,12-Dichloroisoplagiochin
Peak:m/z	Relative Intensity
59.01257	2.4
61.98723	0.6
70.23808	1.6
71.01275	1.1
73.02853	0.3
75.00763	0.7
75.30127	0.3
89.02329	0.5
101.02358	0.7
103.89999	0.4
107.01289	0.5
125.02327	1.8
145.02942	0.4
149.96208	0.4
167.03450	0.6
169.01347	1.1
175.04071	0.4
177.01848	0.4
194.00955	0.5
202.02777	0.5
221.07414	0.4
241.98241	0.3
242.02231	0.5
252.18692	0.3
257.00882	0.9
258.01730	2.2
269.98102	7.1
270.98886	10.9
271.99207	0.9
283.99661	3.4
285.00494	17.3
285.03922	0.8
286.01181	5.9
287.01620	0.5
297.00491	0.9
297.97623	20.2
298.98383	37.1
299.98737	2.2
301.03757	0.4
311.99210	0.5
312.99976	47.7
314.00732	53.4
315.01120	4.7
328.02307	15.6
328.05673	0.8
329.03098	96.6
330.03442	10.4
330.09616	0.7
337.09567	0.7
491.08420	100.0
492.08734	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	491.0842
Annotation	2,12-Dichloroisoplagiochin
Peak:m/z	Relative Intensity
50.52018	0.3
52.78259	0.2
53.23388	0.3
59.01250	0.7
59.86674	0.3
69.47669	2.1
69.48076	0.5
71.00660	0.3
71.01259	0.7
72.64215	0.2
72.99201	1.7
78.76900	0.3
85.02821	0.3
98.20536	0.6
101.02326	0.4
106.13812	0.3
107.01289	0.7
111.00768	0.6
121.02835	0.3
125.02354	2.5
130.00465	0.3
133.02968	0.2
137.02400	0.6
137.67830	0.3
139.00258	0.6
145.02942	0.6
145.99948	0.4
161.02412	0.5
163.03905	0.5
164.94371	0.3
165.01886	0.7
166.99738	0.4
169.00139	0.4
169.01421	3.5
170.01703	0.4
185.99629	0.3
189.09154	0.4
197.99530	0.9
213.99127	0.5
215.53470	0.3
226.99959	0.3
229.01393	0.4
241.98599	1.1
247.02750	0.3
254.99396	2.1
257.00867	1.3
269.98123	21.6
270.98489	1.5
282.98990	0.6
285.00473	14.2
286.00775	1.2
297.00409	0.4
297.97614	48.1
298.98013	3.6
299.01572	0.5
300.99966	1.9
312.99969	100.0
314.00336	7.9
328.02316	61.4
329.02682	6.4
453.03763	0.7
460.05545	0.3
476.06046	6.4
477.06305	0.7
491.08456	83.2
492.08801	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	489.3601
Annotation	Armatinol B
Peak:m/z	Relative Intensity
50.97878	0.4
51.92521	0.4
56.45770	0.3
59.01266	61.9
60.01610	0.6
61.98709	0.6
64.07948	0.3
65.12180	0.3
66.74741	0.3
71.41666	1.0
83.04951	0.4
85.06490	0.9
99.00806	0.4
107.83601	0.4
110.90958	0.4
111.08093	1.1
113.05980	0.7
119.16570	0.4
125.09700	0.6
138.02924	0.4
149.09483	0.4
195.13976	0.8
233.19156	1.6
234.19482	0.4
279.37827	0.5
285.22238	0.6
323.23865	0.4
346.09229	0.4
347.27921	0.5
381.28168	1.2
411.32785	2.3
412.33487	0.4
427.36160	0.5
429.33841	5.4
430.34125	0.7
445.33188	0.7
471.34909	4.1
489.36023	100.0
490.36374	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00992	0.5
59.01266	8.4
61.98695	1.2
71.01259	1.9
73.02834	0.5
79.84579	0.5
85.02821	1.2
87.04411	5.8
89.02354	0.6
101.02350	1.2
113.02315	0.5
119.03465	0.5
120.90355	0.4
125.02360	1.2
160.47733	0.5
160.49226	0.4
161.04543	0.4
163.04002	0.4
169.01399	1.1
229.01373	0.5
254.99397	0.7
257.00983	1.2
258.01749	1.1
269.01013	0.7
269.17654	15.1
269.98099	9.2
270.18176	0.7
270.98788	6.2
271.99042	0.5
283.99695	2.6
285.00467	13.3
286.01193	3.5
293.17606	0.6
297.00488	1.3
297.97620	22.8
298.98398	20.3
299.01825	1.6
299.98889	2.1
312.99973	50.0
314.00723	36.1
315.01190	3.4
327.01648	2.1
328.02301	20.1
329.03098	65.6
330.03378	6.2
370.13901	0.7
431.22516	0.9
447.22339	0.7
476.05997	2.8
491.08487	100.0
492.08838	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	489.3597
Annotation	Lycernuic acid E
Peak:m/z	Relative Intensity
56.03248	0.3
59.01263	2.4
61.98716	0.5
65.18649	0.2
65.29278	0.3
69.43140	0.3
71.01259	0.6
71.04926	0.6
73.02837	0.3
76.98682	0.5
87.06299	0.3
89.02375	0.4
96.51770	0.3
109.06503	0.9
121.06477	0.6
123.08092	1.1
134.07272	0.7
221.15353	0.3
253.21762	2.2
409.31342	0.7
411.32874	0.7
423.32785	0.5
425.34348	9.9
426.34909	1.7
427.35901	28.2
428.36270	5.2
445.37021	16.0
446.37210	2.6
457.33771	0.4
459.34979	0.9
471.35034	2.1
472.35547	0.6
489.36005	100.0
490.36383	18.0
505.03900	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3597
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
54.86717	0.4
59.01267	60.4
60.01604	0.8
67.00188	0.4
70.80351	1.2
70.80700	0.8
81.56035	0.5
83.04899	1.0
97.06496	1.0
111.08108	0.9
121.85895	0.5
129.09135	2.2
165.12801	1.2
189.12836	0.5
191.14397	1.3
193.12329	4.0
246.46356	0.6
273.22394	0.5
306.18176	0.5
381.31766	4.1
382.32101	0.9
385.30814	0.6
387.89520	0.5
393.31567	1.4
395.29697	2.1
411.32791	8.3
412.33051	1.4
435.32697	0.5
453.33807	1.4
471.35034	4.2
489.35962	100.0
490.36380	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	489.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.7
57.03333	1.3
58.00484	0.9
59.01268	20.7
61.98724	1.5
69.03354	0.9
71.01273	12.2
71.04915	0.3
71.61665	0.5
72.56086	0.3
72.97954	0.3
72.99204	1.4
73.02836	1.8
79.55358	0.3
80.38453	0.3
81.03311	0.3
83.01276	1.2
83.04922	0.8
85.02851	4.4
87.00764	0.7
88.98685	0.3
89.02338	6.4
92.02583	0.3
93.03356	3.5
95.01285	1.2
95.04939	0.3
97.02853	0.5
97.06495	1.5
99.00797	1.0
101.02351	6.3
107.04947	0.5
109.06564	0.4
111.00793	0.5
112.05209	0.4
113.02375	4.0
115.07548	0.4
119.03430	2.9
119.04896	0.4
121.02845	0.3
123.00800	0.4
125.02377	2.1
125.09641	1.3
127.11227	1.8
135.04454	0.3
136.01607	1.1
137.02379	7.7
137.09659	1.1
143.03403	0.3
145.02965	0.4
149.02315	0.4
150.03719	0.3
151.03954	0.5
155.10732	5.0
155.14304	0.3
156.11015	0.4
161.04494	0.9
165.12772	1.2
168.00578	0.8
169.01418	2.1
171.10226	9.5
172.10596	0.3
177.12758	0.3
179.03464	5.3
181.12404	0.3
183.13826	1.6
185.11786	1.1
193.12424	0.4
197.11836	0.7
209.04492	2.0
209.11778	1.6
211.13390	10.5
212.13785	0.9
213.15002	0.4
221.11823	0.7
223.13321	0.4
227.12898	1.0
229.14470	18.2
230.14827	1.6
237.11349	0.4
239.05670	5.9
239.13039	0.5
240.05930	0.6
246.45009	0.3
247.20703	0.9
256.19019	0.3
257.13992	0.7
267.16080	0.5
273.18652	0.5
291.19727	7.3
292.20227	0.3
299.07785	1.1
309.20767	5.0
310.21185	0.7
311.22476	0.9
327.21851	6.2
329.04950	0.4
367.17624	0.4
391.19983	1.4
429.25000	1.0
471.26364	0.5
489.27209	100.0
490.27512	14.6
490.34839	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00483	3.7
59.01266	100.0
60.01603	1.7
69.03348	1.4
69.37480	8.7
71.01270	27.7
72.99201	3.4
73.02840	31.0
75.00787	0.9
83.01281	2.2
85.02848	11.0
85.76876	0.8
85.99992	1.6
87.00774	8.4
87.04405	4.4
89.02339	29.0
90.20623	0.9
93.03355	1.1
97.02853	0.9
99.04446	1.1
101.02350	59.5
102.02715	1.1
103.03915	24.3
110.99719	1.0
113.02379	2.9
115.03929	8.6
119.03430	13.8
120.86530	0.8
125.02368	4.2
127.03944	2.8
131.03433	11.0
143.03438	14.4
145.05032	6.3
161.04411	1.2
163.06078	92.6
164.06425	3.0
173.04506	4.8
179.05559	1.6
186.01100	1.0
188.72377	0.8
203.03447	1.0
205.07167	24.1
206.07466	1.8
211.80458	0.9
265.09320	8.9
274.69885	0.9
277.19327	0.8
279.16473	0.8
307.10422	1.6
313.14648	1.0
337.09280	2.9
343.00967	1.9
429.17798	15.4
430.18155	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	489.105
Annotation	Kaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
52.56260	0.2
59.01264	1.5
61.98710	0.6
63.02288	0.3
65.00208	0.4
69.46160	1.4
71.13496	0.2
79.02273	0.1
83.01267	0.4
85.02834	0.2
89.02332	0.2
91.01792	0.3
93.03375	1.1
96.95926	1.2
96.96874	0.3
99.53493	0.2
101.02341	0.3
107.01301	1.6
108.02081	0.2
109.02863	0.6
117.03392	0.3
120.02089	0.2
125.02383	0.8
131.04962	0.3
132.02098	1.2
135.00818	1.3
135.04434	0.2
137.02388	0.5
141.07039	0.3
143.04999	0.7
145.02882	0.3
151.00319	1.7
153.01881	0.3
157.06535	0.5
159.04485	0.7
159.16835	0.1
161.02382	0.2
163.00311	2.3
163.03964	0.3
164.01065	0.5
165.01839	0.5
166.05060	0.2
167.03488	0.2
167.04947	0.4
169.01431	0.8
169.06516	0.6
171.04460	0.7
173.04547	0.2
177.01811	0.2
178.99895	0.2
183.04504	0.9
185.02466	0.3
185.06058	1.6
187.03984	2.5
188.04283	0.2
189.05502	0.7
195.04498	0.6
196.05252	0.2
197.05989	0.8
199.03976	1.1
200.04919	0.2
201.05542	0.6
211.03976	2.5
212.04514	0.2
213.01898	0.2
213.05511	1.3
215.03479	0.3
223.04053	0.2
227.03502	28.5
228.03897	2.1
229.05069	9.1
230.05313	0.7
239.03474	1.7
240.04259	0.7
241.05121	1.4
243.03081	0.2
255.03024	60.6
256.03522	6.9
257.04596	5.0
258.04947	0.4
267.03055	0.7
267.16052	0.4
273.07947	0.2
274.08145	0.5
283.02448	0.8
284.03323	78.8
285.04071	100.0
286.04440	7.9
327.01743	0.3
327.05240	0.7
426.09140	0.4
447.09601	0.2
489.10480	49.2
490.10825	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	488.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	10.5
61.98721	1.1
63.02282	2.3
65.00198	3.7
65.99723	3.7
71.01272	7.6
72.01601	1.1
72.99197	1.5
73.02831	1.5
78.95798	1.1
82.02876	1.0
83.01279	4.0
83.83033	0.9
85.02833	2.8
89.02335	2.4
90.03359	1.3
93.03378	8.1
95.01277	2.9
96.95924	2.6
97.02816	1.8
99.00787	1.0
101.02339	2.8
105.03417	1.1
107.01298	9.4
109.02876	7.3
111.00763	2.2
111.73396	1.1
113.02361	2.6
117.03382	2.9
118.02905	1.7
119.01294	1.2
119.03446	1.0
119.04934	1.3
121.02855	5.6
123.00787	9.3
123.04436	4.0
124.01472	1.0
125.02377	8.9
132.02119	8.2
133.02884	2.4
134.02431	6.8
134.03621	4.7
135.00798	2.6
135.04401	1.1
136.01485	1.3
136.98952	1.0
137.02380	25.6
139.00320	2.1
141.01839	1.3
143.04871	1.2
145.02879	2.7
146.02399	1.9
147.00734	1.3
149.02373	5.1
151.00308	27.7
151.03870	2.4
152.01030	2.1
153.01886	1.7
157.06485	1.2
157.25922	1.1
158.02379	2.2
159.04501	1.2
160.01584	1.9
161.02406	1.3
161.04535	1.1
162.01898	12.9
162.05475	1.9
163.00246	4.7
163.02551	1.7
163.03909	2.4
164.01123	1.9
164.03484	27.3
165.01921	1.1
169.01398	9.0
169.02704	1.8
171.03200	1.5
172.03954	2.5
175.03899	1.9
176.01155	1.7
177.01897	19.9
178.99817	11.4
179.03415	2.6
181.01390	1.2
181.06543	1.1
183.04485	3.3
185.06042	1.6
186.01915	10.8
187.04027	2.4
190.01419	6.3
192.00572	2.4
193.01357	3.0
199.04015	2.4
201.05540	2.0
202.01390	1.6
202.99931	1.7
203.02220	4.3
204.02989	16.6
205.05013	1.5
210.05608	1.2
211.03976	2.9
214.02647	1.1
215.03549	2.3
216.02762	1.8
217.05032	1.7
222.04019	1.2
225.05630	2.0
227.03511	12.6
228.03951	1.3
229.05133	5.6
230.00969	4.8
238.05067	1.9
239.03455	4.0
243.02968	2.7
245.04585	1.3
250.05167	1.7
251.03462	1.4
253.05161	1.1
254.04645	2.6
255.03027	24.9
256.03680	4.3
256.06174	2.1
257.04593	4.3
259.02646	1.3
266.04547	1.8
267.16092	1.8
268.03943	1.3
269.04596	18.1
270.04248	5.0
271.02417	7.0
272.03012	1.9
273.04053	3.1
278.04541	4.6
279.03094	8.3
279.08813	6.5
280.02966	1.2
280.06165	1.6
283.02527	8.3
284.03259	12.7
284.06042	1.8
285.03937	3.9
289.07321	1.1
294.04089	2.7
295.04785	1.6
296.05630	1.2
297.04062	8.0
298.04288	1.4
300.02429	7.0
300.05762	1.6
301.00021	2.8
301.03568	34.7
302.03989	2.8
305.03296	3.2
306.04184	14.6
307.04657	1.6
323.04361	15.3
323.07834	3.7
324.05194	47.1
325.05676	4.6
340.04474	1.6
341.05441	32.7
341.09506	1.6
342.02499	1.6
342.06226	18.8
343.06665	2.3
350.08685	2.6
368.09930	16.5
369.09998	2.3
394.07831	8.2
421.10754	1.3
430.09305	2.3
431.09763	1.5
447.09451	19.2
448.09601	2.1
464.16901	1.1
470.11032	17.3
470.17352	2.0
471.11292	1.7
487.21970	5.7
488.12051	100.0
488.22089	9.1
489.12357	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	487.344
Annotation	Cimigenol
Peak:m/z	Relative Intensity
57.03338	5.1
59.01266	2.5
62.30124	0.3
64.08154	0.3
65.39527	0.3
71.01263	0.9
83.04912	5.9
85.02821	0.8
89.02323	0.6
97.06483	0.4
98.73191	0.3
107.04948	0.9
109.06491	1.8
111.08060	3.9
125.02341	0.3
125.09644	5.4
127.07577	0.8
133.06485	0.7
149.04411	0.4
153.09169	4.1
175.11253	0.6
179.11134	0.3
193.12303	3.5
215.17990	0.5
215.66486	0.3
217.15955	0.5
231.17641	0.5
233.19113	16.9
234.19479	1.9
248.13382	0.3
273.22275	0.5
281.22736	0.9
283.20813	1.6
293.08954	1.0
294.19965	0.6
299.23856	59.2
300.24237	6.3
301.21793	1.0
309.22391	0.6
325.21817	1.2
341.28540	16.0
342.28882	2.1
357.27988	2.8
361.25647	1.4
365.28513	3.1
381.31726	0.4
391.30136	1.3
409.31183	59.3
410.31522	10.5
427.32306	0.8
443.35385	17.5
444.35825	3.0
484.42224	0.3
487.34390	100.0
488.34753	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	487.3442
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
54.04717	0.2
55.24883	0.2
57.61184	0.2
59.01266	62.9
60.01598	0.6
67.88954	0.2
70.05693	0.6
71.01266	0.3
71.04916	1.0
73.21746	0.2
75.97254	0.2
83.04929	1.5
85.02837	0.2
87.00768	3.3
89.02328	0.4
98.19881	0.4
98.20433	0.4
109.06499	0.3
113.06020	0.2
123.08121	0.2
125.09641	0.2
132.31639	0.2
149.04549	0.3
151.11238	0.3
163.11217	0.4
165.12787	0.5
175.11234	0.3
193.12253	0.2
233.19138	2.4
234.19441	0.3
259.32196	0.2
269.19186	0.3
273.22400	0.4
283.20633	0.2
293.09225	0.3
299.23898	0.9
307.20837	0.4
323.23923	0.5
337.25391	0.7
363.30591	0.6
379.26297	0.5
379.30298	0.8
381.31778	1.7
389.31982	0.3
391.30103	0.8
403.26355	0.3
407.33530	0.4
409.31329	1.0
413.30521	0.3
425.34537	0.3
427.32156	0.6
443.35538	0.7
469.33414	1.6
487.34399	100.0
488.34750	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	487.344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71114	0.2
55.85703	0.2
56.93452	0.2
59.01265	55.3
60.01614	0.5
60.47754	0.2
67.53448	0.2
71.01289	0.4
71.04919	0.7
71.20592	0.4
83.04932	0.5
87.00774	0.6
89.02345	0.4
92.33465	0.2
109.06486	0.4
112.82147	0.2
113.05993	0.4
123.08090	0.3
125.02432	0.2
125.09666	0.2
133.06555	0.3
135.08092	0.2
159.81218	0.2
163.11255	0.3
175.11223	0.2
188.52008	0.2
193.12369	0.2
231.17622	0.3
233.19122	3.7
234.19406	0.2
273.22354	0.2
293.08817	0.3
300.99960	0.2
307.20865	0.6
323.23859	0.4
337.25500	0.8
349.25409	0.3
359.27948	0.2
363.30801	0.5
365.28561	0.4
373.29221	0.5
379.26215	0.4
379.30298	0.7
381.31628	1.6
391.30151	1.7
392.30438	0.4
407.33716	0.4
409.31378	1.7
410.31924	0.3
413.30893	0.5
427.32285	0.8
441.33713	0.3
443.36191	1.2
444.35876	0.3
451.32281	0.6
469.33401	3.4
470.33508	0.6
487.34402	100.0
488.34744	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	46.2
60.01616	0.5
63.51444	0.3
69.03361	0.5
70.09532	0.6
70.09935	1.0
71.01267	2.7
71.04916	0.6
73.02835	0.3
83.04909	1.5
85.02831	0.7
87.00780	2.7
89.02335	2.4
97.02886	0.3
108.18980	0.3
113.02340	0.6
123.08051	0.3
125.02372	1.0
131.03453	0.5
133.06551	1.3
137.09602	0.3
149.04506	1.0
165.12849	1.1
183.62730	0.3
191.05449	0.4
233.19157	1.3
269.19113	0.4
291.95557	0.3
293.08859	2.4
294.09570	0.3
298.23059	0.3
299.23962	0.6
333.00171	0.3
337.25644	0.6
358.55545	0.3
381.31747	2.3
382.32483	0.5
391.30206	0.4
409.31451	1.1
423.33035	0.4
425.34402	1.4
427.32230	0.5
443.35428	1.2
469.33453	2.5
470.33551	0.7
487.34427	100.0
488.34763	19.4
502.78802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3441
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
50.11073	0.7
55.57151	0.6
59.01269	43.9
69.86851	2.1
69.87260	1.2
70.26783	0.6
71.01267	2.7
71.04929	1.5
72.99216	0.8
89.02349	3.0
89.60966	0.6
90.23376	0.6
101.02358	0.7
105.01264	0.6
109.06499	0.7
113.06077	0.7
125.02364	1.1
125.98483	0.6
128.64978	0.7
131.03418	0.7
133.06480	0.8
137.09706	0.6
139.86464	0.6
149.04503	0.8
163.11258	2.0
181.12254	0.8
189.12816	1.9
202.67754	0.8
263.20239	1.4
293.08841	2.5
355.26550	1.0
381.31732	2.5
399.32233	0.8
409.31308	2.4
425.34116	1.4
427.32327	4.4
428.32617	0.9
431.82645	0.7
443.35645	1.3
469.33209	4.2
487.34430	100.0
488.34805	17.1
514.20947	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01785	0.4
57.03336	0.6
58.00461	0.3
59.01268	11.9
61.98709	1.0
65.00211	0.4
67.01764	0.9
68.99692	0.4
69.03341	0.6
70.99949	0.3
71.00293	0.5
71.00893	0.3
71.01274	5.2
72.99189	0.8
73.02834	1.0
74.65895	0.2
77.82619	0.2
79.01794	1.1
81.03371	0.2
83.01276	1.5
85.02856	2.2
87.00767	0.6
89.02328	1.5
94.81764	0.2
95.01284	2.0
97.02850	1.2
99.00798	0.9
101.02340	3.6
107.01295	4.2
109.02856	0.3
110.00032	0.3
111.00802	2.8
112.39642	0.2
113.02368	2.1
119.04891	0.2
123.00806	17.8
123.04427	0.3
124.01563	0.9
125.02373	17.2
126.02699	0.8
127.00283	1.0
127.11179	0.3
136.98750	1.5
137.02344	0.4
139.00316	4.6
140.01102	4.2
141.01897	2.5
145.02884	0.4
149.02415	0.3
151.00316	12.8
151.03934	0.5
152.00623	0.5
153.01907	0.9
159.02893	0.2
161.04494	1.4
163.03935	0.5
166.99777	0.3
168.00589	4.0
169.01387	22.7
170.01726	1.3
177.01968	0.4
179.03439	0.4
181.05086	0.6
181.38434	0.2
188.70020	0.2
196.64389	0.3
209.11844	0.7
211.02486	2.1
212.02797	0.6
213.02980	0.4
219.06459	0.3
221.05112	0.2
241.58749	0.2
247.17085	0.3
247.58434	0.3
265.18137	1.2
271.04639	1.7
272.05017	0.8
273.05051	0.6
301.00012	0.3
313.05762	1.3
325.14722	0.3
365.63043	0.3
427.23547	1.1
470.69135	0.3
487.21939	100.0
488.22296	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	487.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.5
58.00476	0.2
59.01267	7.7
61.98727	1.0
65.00212	0.4
65.61012	0.2
67.01772	0.6
68.99693	0.4
69.03343	0.3
71.01275	3.8
71.56223	0.2
71.56666	0.3
72.99191	0.8
73.02840	1.1
79.01778	0.9
81.03380	0.2
83.01265	1.3
83.74492	0.2
85.02850	1.7
87.00783	0.5
89.02349	1.3
91.14026	0.2
95.01277	1.8
96.96809	0.2
97.02866	0.8
99.00789	0.5
101.02358	2.7
107.01299	3.3
110.00011	0.4
111.00787	2.1
113.02353	1.4
123.00804	15.8
124.01672	0.5
125.02372	15.7
126.02701	0.5
127.00282	1.1
130.91905	0.2
135.04448	0.2
136.98746	1.3
137.02364	0.2
139.00316	5.0
140.01109	3.5
141.01892	2.1
147.04607	0.2
151.00319	12.7
151.03903	0.3
152.00658	0.5
153.01909	0.8
154.99765	0.5
161.04437	0.4
163.03969	0.6
165.01924	0.3
167.03439	0.2
168.00600	3.9
169.01393	21.3
170.01709	1.2
173.15480	0.2
179.03468	0.3
181.05032	0.5
193.05115	0.2
209.04529	0.2
211.02507	1.4
248.75032	0.2
253.03543	0.4
271.04654	1.4
286.00848	0.2
313.05707	1.5
487.21964	100.0
488.22296	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	487.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49877	0.3
50.55892	0.2
52.65664	0.3
55.01763	0.9
57.03329	1.3
58.00465	0.3
59.00995	0.4
59.01271	6.5
61.98715	1.0
64.63656	0.2
65.00218	0.3
66.94109	0.2
67.01784	0.9
68.99706	0.6
69.03333	0.5
71.01276	4.1
71.61553	0.5
72.99203	1.0
73.02830	0.9
79.01779	1.1
81.03367	0.3
83.01285	1.7
85.02845	2.2
85.83192	0.3
87.00775	0.4
89.02326	1.7
90.16156	0.3
95.01300	2.0
96.99241	0.3
97.02866	1.1
99.00770	1.3
101.02362	2.6
105.03352	0.5
107.01311	3.3
109.02837	0.5
110.00031	0.4
111.00795	3.0
111.13224	0.3
113.02342	1.7
123.00807	15.7
123.04404	0.5
124.01656	0.5
125.02369	22.1
126.02711	0.8
127.00281	1.1
128.06146	0.2
135.04424	0.4
136.98734	1.4
137.02367	1.7
139.00314	5.2
140.01074	3.4
140.13980	0.3
141.01888	2.1
149.02464	0.4
151.00314	10.8
152.00569	0.3
153.01839	1.0
154.99814	0.6
155.10725	1.1
161.02394	3.8
161.04485	0.5
163.04012	0.9
166.02626	0.3
167.03410	0.4
168.00601	4.3
168.52147	0.3
169.01384	18.9
169.20636	0.3
170.01746	0.6
176.61023	0.3
177.05586	0.4
179.03479	0.5
179.10707	0.8
181.05020	0.5
188.41756	0.3
199.09619	1.4
211.02484	0.9
217.94080	0.3
265.14386	0.3
269.04617	1.2
271.04807	0.4
287.05707	1.2
289.07242	0.4
289.18033	0.3
301.00079	0.3
313.05698	1.1
341.70471	0.3
442.15039	0.3
487.21960	100.0
488.22284	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	487.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49877	0.3
50.55892	0.2
52.65664	0.3
55.01763	0.9
57.03329	1.3
58.00465	0.3
59.00995	0.4
59.01271	6.5
61.98715	1.0
64.63656	0.2
65.00218	0.3
66.94109	0.2
67.01784	0.9
68.99706	0.6
69.03333	0.5
71.01276	4.1
71.61553	0.5
72.99203	1.0
73.02830	0.9
79.01779	1.1
81.03367	0.3
83.01285	1.7
85.02845	2.2
85.83192	0.3
87.00775	0.4
89.02326	1.7
90.16156	0.3
95.01300	2.0
96.99241	0.3
97.02866	1.1
99.00770	1.3
101.02362	2.6
105.03352	0.5
107.01311	3.3
109.02837	0.5
110.00031	0.4
111.00795	3.0
111.13224	0.3
113.02342	1.7
123.00807	15.7
123.04404	0.5
124.01656	0.5
125.02369	22.1
126.02711	0.8
127.00281	1.1
128.06146	0.2
135.04424	0.4
136.98734	1.4
137.02367	1.7
139.00314	5.2
140.01074	3.4
140.13980	0.3
141.01888	2.1
149.02464	0.4
151.00314	10.8
152.00569	0.3
153.01839	1.0
154.99814	0.6
155.10725	1.1
161.02394	3.8
161.04485	0.5
163.04012	0.9
166.02626	0.3
167.03410	0.4
168.00601	4.3
168.52147	0.3
169.01384	18.9
169.20636	0.3
170.01746	0.6
176.61023	0.3
177.05586	0.4
179.03479	0.5
179.10707	0.8
181.05020	0.5
188.41756	0.3
199.09619	1.4
211.02484	0.9
217.94080	0.3
265.14386	0.3
269.04617	1.2
271.04807	0.4
287.05707	1.2
289.07242	0.4
289.18033	0.3
301.00079	0.3
313.05698	1.1
341.70471	0.3
442.15039	0.3
487.21960	100.0
488.22284	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	487.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	7.5
59.01268	26.9
61.98723	2.8
65.00228	1.2
69.03342	1.4
69.55680	6.0
71.01268	10.8
72.79420	0.8
72.99208	1.4
73.02837	3.1
74.02377	3.3
74.98987	15.7
75.00737	1.3
78.95789	1.8
81.03339	4.3
83.01281	15.0
83.02393	1.6
85.02858	3.4
87.00799	2.6
89.02336	6.5
95.01282	2.3
96.95915	11.5
96.96874	2.2
97.02869	1.3
98.02377	1.6
98.95515	1.1
99.00784	2.6
99.01874	1.2
101.02362	6.4
103.03920	1.3
107.01292	1.8
109.02869	1.8
111.00820	1.1
113.02361	2.9
115.00315	1.8
115.01459	0.8
115.03941	4.9
116.03471	5.0
119.03429	2.8
119.04967	3.5
121.02885	1.2
123.00803	3.9
123.04465	1.5
124.07578	1.3
125.02369	100.0
126.02730	3.4
127.00373	0.9
133.06531	3.0
135.04454	1.8
136.99084	12.9
137.02354	2.1
139.00339	1.8
139.03926	1.4
139.07567	1.4
145.02823	1.7
149.02396	3.8
151.00320	3.3
153.12813	3.8
154.99815	1.0
155.10736	5.5
161.02429	1.9
161.04527	1.8
161.05894	0.8
163.03970	5.2
163.06093	2.3
163.11255	3.5
167.04776	0.9
167.98843	3.2
168.00621	1.3
169.01405	9.1
175.04044	0.8
177.01947	0.9
179.03442	1.1
179.05664	1.0
179.10754	9.2
189.01883	1.4
191.03520	1.2
195.13882	1.8
197.11800	3.4
203.03506	0.8
217.01442	1.7
219.13919	2.5
221.11841	4.5
237.14946	4.9
243.04970	1.4
247.02583	1.7
252.30382	0.8
259.04410	3.3
263.11255	1.4
265.10892	6.9
265.13461	1.1
271.06290	1.4
273.00406	0.8
275.02078	1.1
287.14200	1.9
289.07272	1.8
289.10812	1.8
293.08875	1.9
300.99881	4.2
307.10623	3.1
308.05609	0.8
325.12988	68.4
326.13278	7.0
335.17273	1.1
336.90912	0.9
348.85449	0.8
349.13126	1.7
367.14053	4.2
387.20255	1.7
394.53070	1.0
428.22971	0.9
451.11087	1.1
487.17978	23.4
488.18848	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	487.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18269	0.3
51.17303	0.2
51.93990	0.2
52.42724	0.3
58.00476	0.3
59.01267	5.2
60.35027	0.2
69.03355	0.4
71.01272	7.0
72.99194	0.4
73.02842	2.2
83.01286	1.0
85.02840	2.2
87.00788	1.2
89.02338	4.0
93.00111	0.3
93.03392	0.6
93.20731	0.3
95.01287	1.0
97.02884	2.0
99.00796	0.8
99.07358	0.3
101.02345	6.9
101.03006	0.4
107.01299	0.7
111.00770	0.5
113.02383	2.5
117.03381	28.0
118.03685	1.6
119.03447	2.1
119.04945	25.0
120.05290	1.1
121.02861	0.6
123.00816	0.4
125.02356	3.8
131.03406	0.8
131.05025	0.3
132.05739	0.3
133.06511	1.8
136.17075	0.3
139.00282	0.5
143.03442	1.9
145.02890	100.0
146.03218	5.3
151.04054	0.3
158.03606	0.4
159.03094	0.3
159.04494	1.1
159.50543	0.3
161.04512	2.7
161.06036	2.8
163.03957	57.4
164.04285	2.6
169.01384	3.2
170.01768	0.5
171.01830	0.4
177.05486	0.4
179.05553	2.0
187.03983	5.3
187.05611	0.5
189.01932	0.3
203.03664	0.3
205.05051	5.8
206.05486	0.4
221.06685	2.0
229.01457	0.4
229.05072	1.2
235.06229	0.6
245.06685	0.9
247.06334	0.4
263.07773	1.5
275.01746	0.3
287.07816	0.3
289.07159	0.5
300.99936	1.1
302.00336	0.8
303.00391	0.4
307.08438	0.3
323.09839	1.1
325.09375	0.6
416.62482	0.3
427.12698	0.6
463.54800	0.4
477.54587	0.4
487.14841	2.8
488.14816	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74005	0.9
59.01273	1.9
63.02280	1.8
64.41899	1.1
65.00212	3.7
69.26394	2.1
69.26803	9.1
73.82672	1.0
83.01269	1.9
98.20487	2.3
107.01273	5.5
109.02827	1.5
121.02834	2.3
123.00781	1.0
124.01555	1.1
125.02345	3.4
145.02913	1.7
147.03169	1.6
148.01598	1.5
151.00327	23.0
152.00668	4.2
160.03917	1.5
161.02353	2.9
163.00333	2.0
164.46144	1.3
165.01814	1.2
167.20485	1.0
169.01324	3.5
170.45204	1.3
171.04517	1.8
178.99815	14.3
183.04457	1.9
199.03972	3.5
201.01959	1.5
207.84125	1.2
210.03340	1.0
211.04077	2.8
214.01382	2.5
215.03488	2.2
226.02675	1.0
227.03439	5.8
228.04150	1.9
239.03598	1.9
240.04333	2.0
243.03062	9.1
244.03436	2.1
245.04646	1.3
255.03014	10.7
256.03366	7.9
257.04068	1.5
265.03909	1.3
266.04565	2.7
267.03036	3.7
269.04471	1.4
271.02536	43.7
272.03040	21.8
273.03900	5.2
282.04202	2.8
283.02533	2.6
284.03152	2.3
285.03821	1.4
289.07193	1.2
293.03448	1.7
294.04129	7.6
295.02405	9.1
296.03168	2.0
297.04092	3.7
299.02045	100.0
300.02707	34.3
301.03333	41.3
302.03903	19.6
303.03992	1.9
310.03635	6.6
312.02643	2.2
313.03525	8.3
322.03577	15.4
323.04440	9.9
324.05145	12.4
325.05325	1.3
339.03909	46.4
340.04645	27.8
341.05194	1.7
367.33493	1.2
419.09860	7.0
446.08630	22.4
447.09467	2.4
448.09772	46.2
449.09937	4.7
450.10382	4.5
459.09433	1.7
475.39682	1.4
486.10547	92.1
487.10864	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	485.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	4.7
59.01254	2.8
61.61834	0.3
68.57719	0.3
69.34035	3.4
83.04926	6.8
83.05427	0.4
98.19768	0.7
109.06499	0.7
111.08064	0.3
112.55373	0.4
125.02341	0.5
125.09661	5.1
149.09612	0.5
153.09146	1.8
153.22150	0.3
166.99936	0.4
169.01419	0.5
191.14413	3.8
193.12355	2.9
217.16104	0.4
219.17520	0.9
232.14687	0.4
245.19110	0.4
255.17657	0.9
284.17889	0.5
287.20120	0.7
299.20148	1.8
300.20999	0.8
300.99960	0.6
355.26456	2.8
365.24915	9.0
366.25372	1.2
381.28088	27.1
382.28381	3.2
407.29654	2.1
423.32855	4.3
424.33044	0.7
425.30701	5.7
426.31113	1.1
441.34439	0.4
467.31961	1.1
468.31775	0.4
485.32889	100.0
486.33206	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	485.3284
Annotation	CHEBI:65783
Peak:m/z	Relative Intensity
59.01265	2.9
70.77449	0.5
87.00769	0.2
90.86965	0.2
99.64550	0.2
101.05978	0.3
102.35960	0.2
105.93108	0.2
168.99452	0.2
169.01392	0.4
173.26118	0.2
203.14600	0.2
203.16866	0.2
204.39967	0.2
226.91176	0.3
251.20294	0.2
300.99985	0.3
335.71387	0.2
421.31097	1.2
428.26752	0.2
435.68262	0.2
485.32852	100.0
486.33188	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	485.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56342	2.1
59.01269	21.9
61.98722	4.0
69.03332	3.9
71.01272	18.0
71.57040	2.9
72.99198	3.3
75.00775	3.4
75.27091	2.0
78.95789	5.8
83.01270	4.7
83.04926	2.8
85.02856	8.5
87.00777	3.0
89.02357	6.6
93.03352	2.3
95.01286	5.9
96.95913	33.8
96.96874	9.1
97.02858	2.6
98.02400	3.0
99.00782	4.5
101.02361	8.0
107.01299	9.4
107.04951	4.3
108.02064	3.1
108.05743	4.1
109.02855	7.6
111.00787	7.4
113.02374	7.2
113.05950	2.9
116.68748	2.3
119.03408	3.8
119.04951	3.9
121.06594	2.9
123.00801	26.3
123.04489	3.4
123.08086	2.8
125.02374	50.4
125.06044	2.5
126.02693	4.4
136.05200	3.1
137.02406	5.5
138.06851	2.6
138.15715	2.4
139.00288	10.9
139.07597	10.8
140.01068	4.8
141.01924	3.8
145.02876	8.0
148.05237	2.9
151.00314	22.0
151.03955	4.2
151.07605	22.3
152.04770	2.8
152.08356	8.1
153.01926	3.9
153.09146	4.9
161.02402	2.6
163.00333	6.8
163.04016	5.8
163.07539	3.4
164.01024	3.5
165.01851	7.6
166.99806	4.8
168.00603	8.5
168.02908	2.7
169.01379	53.5
170.01741	5.3
175.03937	3.8
179.03421	2.6
187.03931	4.1
193.01419	3.2
201.12854	10.1
202.86945	2.7
203.03409	3.1
204.11507	8.2
205.01517	2.3
205.05147	3.6
211.02415	5.0
219.14006	18.4
243.03308	2.3
243.13863	4.7
245.11852	5.8
248.15634	2.4
249.04019	2.7
263.12952	67.5
263.15741	3.8
264.13342	6.1
271.04672	3.6
273.00327	2.7
279.15887	2.5
287.12924	7.1
289.07059	2.8
300.99991	13.8
302.00311	4.4
305.13953	10.0
313.05521	4.2
315.05371	5.7
323.02039	2.8
333.06259	13.2
334.06384	3.2
413.11041	8.4
485.00848	3.8
485.20087	100.0
486.20874	7.9
488.79379	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.204
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74083	0.3
59.01265	11.3
61.45681	0.3
61.98700	1.7
67.01765	1.4
68.99718	0.6
69.03345	0.7
70.99975	0.8
71.00322	0.5
71.01268	4.7
72.99192	0.9
76.58532	0.4
78.89249	0.3
79.01770	1.3
83.01286	0.9
85.02834	1.3
89.02339	2.5
95.01289	2.8
97.02840	0.5
101.02337	3.3
107.01289	5.7
111.00787	3.3
113.02357	2.0
119.03423	0.7
123.00800	20.7
124.01618	1.7
125.02369	28.1
126.02704	0.9
127.00270	1.1
135.04422	0.4
136.98738	1.6
139.00279	5.5
139.03986	0.9
140.01108	4.8
141.01884	3.1
151.00307	10.9
153.01880	0.7
163.36670	0.4
165.01828	0.7
166.99887	0.4
167.03442	1.1
168.00604	8.5
169.01378	47.7
170.01672	1.8
183.03006	0.5
211.02473	45.6
212.02879	2.3
241.03549	1.3
251.22037	0.4
271.04648	67.6
272.04984	3.3
303.84341	0.4
313.05811	0.8
331.06763	8.0
485.20392	100.0
486.20773	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	485.2042
Annotation	DHP-mOx-NS-DHB
Peak:m/z	Relative Intensity
55.01764	0.3
56.53577	0.2
57.03332	0.5
58.00468	0.4
58.76556	0.3
59.01265	9.4
61.98724	1.3
65.00204	0.7
67.01774	1.1
69.03371	0.6
71.01275	5.5
71.07883	0.2
72.99202	0.9
78.38315	0.2
78.95862	0.2
79.01771	1.3
81.03376	0.3
83.01273	0.7
85.02860	1.7
87.00788	0.5
89.02339	2.3
92.68368	0.2
95.01307	2.2
96.99174	0.3
97.02863	1.0
99.00817	0.3
101.02363	2.2
107.01299	7.8
110.00016	0.7
111.00784	2.9
113.02357	1.6
117.03350	0.5
122.99908	0.6
123.00806	13.5
124.01582	2.9
125.02370	38.6
126.02708	1.1
127.00296	1.5
134.60892	0.3
136.98741	2.5
137.02364	0.5
139.00307	5.4
139.03909	0.9
140.01102	5.3
141.01888	2.0
142.78532	0.3
149.02351	0.5
150.99124	0.5
151.00313	6.8
153.01866	0.7
163.03928	0.4
165.01863	1.0
167.03455	1.7
168.00600	14.4
169.01384	54.0
170.01741	2.2
181.01381	0.4
183.02946	0.6
193.01363	0.3
201.54942	0.3
203.56471	0.2
206.16689	0.2
211.02480	64.6
212.02818	3.7
217.01208	0.3
241.03564	2.1
242.62354	0.2
271.04660	76.3
272.04993	4.7
313.05756	0.7
331.06784	7.3
425.21915	0.3
441.35239	0.3
485.20404	100.0
486.20724	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	483.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45196	0.5
59.01259	0.6
60.55983	0.4
66.54661	0.4
68.88210	0.4
71.58450	0.6
78.95795	16.0
80.09434	0.4
86.96122	0.4
96.96873	1.0
131.20403	0.4
152.99529	30.4
153.99916	0.6
160.54803	0.4
169.01379	0.5
171.00644	1.2
183.01231	0.4
227.03282	4.1
245.04323	0.8
255.23334	100.0
256.23651	9.5
325.86203	0.4
391.22620	0.6
432.88654	0.4
483.27313	61.8
484.27594	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	484.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.4
56.61963	0.3
57.03321	0.6
59.01271	2.4
61.98717	13.2
62.47589	0.4
65.00202	0.5
67.01775	0.8
69.03330	0.8
69.39793	0.3
71.01273	3.5
71.61238	0.5
72.99207	0.7
73.02267	0.3
73.02820	1.5
79.01781	0.8
83.01260	1.4
85.02847	2.6
87.00756	0.6
89.02297	0.6
95.01276	2.6
96.95917	0.7
96.96842	0.4
97.02856	0.9
98.02406	0.3
99.00767	0.8
100.99026	0.4
101.02335	3.2
107.01291	4.4
109.02834	0.6
109.99975	0.4
111.00797	3.0
113.02361	2.0
121.02826	0.5
123.00797	15.8
123.04436	0.4
124.01588	1.5
124.03936	0.5
125.02368	19.9
126.02681	1.1
127.00327	0.9
136.98701	1.3
137.02335	0.5
139.00307	5.1
140.01083	3.2
141.01894	2.4
148.55055	0.4
151.00304	14.0
151.03947	0.4
152.00706	0.5
153.01813	0.8
159.04564	0.4
161.04471	0.5
161.06018	0.4
163.00316	2.1
163.03903	0.5
165.01933	0.6
166.99754	0.7
168.00604	4.6
169.01379	24.6
170.01759	1.1
173.02361	0.4
175.03943	0.4
177.01907	0.5
179.03450	0.4
203.03406	0.6
217.01445	0.4
245.01003	0.8
253.03477	0.5
289.07257	0.6
300.99902	4.1
302.00360	0.5
313.05685	1.4
314.10849	0.3
315.05133	0.7
316.99255	0.5
333.06229	1.2
421.11502	100.0
422.11832	12.6
468.04535	1.9
468.54462	1.0
484.19269	0.8
485.16769	1.6
498.14496	0.4
502.65628	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00361	0.2
67.94480	0.2
69.61839	0.2
71.51367	0.2
78.95798	7.7
84.75683	0.2
96.96872	0.8
107.04922	0.2
121.50228	0.2
152.99532	15.0
171.00604	1.6
227.03271	3.2
245.04327	1.5
255.23349	100.0
256.23685	8.8
409.30960	0.2
439.32327	0.3
483.27386	37.0
484.27744	5.2
484.33694	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94399	0.6
55.01759	2.0
57.03320	2.3
59.01267	46.1
61.98718	14.7
69.03339	1.0
71.01273	35.1
72.99200	1.5
73.02837	10.8
75.00774	0.6
80.26989	0.6
83.01279	6.4
85.02846	14.4
85.99963	0.9
87.00760	1.9
88.98688	1.0
89.02338	19.6
95.01282	2.0
97.02843	1.7
98.19770	1.4
99.00770	4.4
101.02351	31.0
102.02706	1.0
109.02864	1.2
109.35795	0.6
111.00777	2.8
113.02359	11.9
123.00812	0.8
125.02349	4.8
129.01871	0.8
131.03438	10.5
136.03946	0.6
138.68806	0.6
143.03433	2.0
149.04510	5.0
149.99532	1.2
151.00308	1.1
159.02962	1.5
161.04561	5.0
163.03931	0.9
169.01361	4.0
171.31897	0.6
173.04514	1.0
191.03473	0.9
191.05528	1.4
199.13261	0.7
211.02415	1.0
233.06729	2.0
271.04776	0.6
291.18192	27.1
292.18594	2.6
293.08841	0.9
300.02811	1.7
301.00089	1.1
301.03378	1.3
313.05722	4.7
356.94543	0.7
380.73090	0.6
421.11337	0.7
423.22437	100.0
424.22745	11.2
447.09390	1.8
477.16437	0.7
483.08359	1.1
483.19205	2.5
483.33649	3.2
484.09308	0.8
484.16129	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1886
Annotation	Globulusin A
Peak:m/z	Relative Intensity
55.01774	0.4
57.03341	0.3
59.01266	3.3
61.98707	0.5
65.00219	0.5
67.01776	0.7
68.99686	0.5
69.03342	0.7
69.28798	2.6
71.01273	3.3
72.99184	0.7
73.02827	0.7
75.00769	0.5
78.95782	0.4
79.01765	0.8
79.14542	0.2
81.03378	0.4
83.01279	0.9
85.02850	1.4
87.00776	0.4
88.98649	0.2
89.02336	1.0
95.01286	1.9
95.04848	0.2
96.95914	3.4
96.96864	0.8
97.02858	0.9
98.02384	0.3
98.20493	0.5
99.00777	0.5
101.02340	2.1
107.01296	3.4
109.02863	0.5
109.99995	0.5
111.00802	2.7
113.02353	1.0
119.03423	0.4
123.00802	14.4
123.04432	0.5
124.01597	0.7
125.02369	17.2
126.02692	1.0
127.00306	0.8
133.60358	0.2
136.98730	1.2
137.02373	0.9
139.00294	4.4
140.01117	3.1
141.01886	2.0
145.02881	0.5
149.02383	0.5
151.00311	9.8
151.01535	0.5
151.03915	0.7
152.00740	0.5
153.01849	0.6
161.02385	0.3
163.00266	0.3
164.04199	0.3
167.03450	0.5
168.00600	4.2
169.01378	24.6
170.01772	1.3
177.04033	1.7
181.05013	0.3
191.03668	0.2
211.02469	2.6
211.07706	0.5
212.02809	0.4
213.02913	0.3
241.03494	0.5
245.01051	0.3
245.08121	0.4
271.04550	3.0
272.04999	1.0
273.05200	0.8
275.02213	0.4
287.09302	0.3
289.07358	1.1
300.99997	1.6
302.00317	0.3
313.05811	1.4
316.44186	0.3
329.05157	0.7
368.09308	0.3
440.09329	0.3
446.59933	0.3
483.18826	100.0
484.19199	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1883
Annotation	Globulusin A
Peak:m/z	Relative Intensity
55.01767	0.6
57.03337	0.3
58.00476	0.3
59.01035	0.2
59.01271	2.3
61.68705	0.2
65.00205	0.5
67.01785	1.4
68.99703	0.4
69.03336	0.7
71.01273	3.8
71.36864	0.4
72.99181	0.5
73.02840	1.3
79.01776	1.1
82.00454	0.2
83.01275	1.2
85.02840	2.6
85.99982	0.2
87.00757	0.6
89.02335	0.4
90.49128	0.2
95.01285	2.2
96.99237	0.2
97.02834	1.1
99.00768	0.5
101.02343	2.0
107.01308	3.6
109.99993	0.6
111.00791	3.0
113.02348	1.5
123.00802	17.8
124.01692	1.7
125.02372	16.6
126.02697	0.8
127.00312	1.1
136.98738	1.7
139.00307	5.3
140.01112	4.3
141.01868	2.7
151.00316	13.9
152.00656	0.4
153.01875	1.0
154.99811	0.5
163.03903	0.3
166.99780	0.3
167.03424	0.3
168.00604	5.2
169.01381	22.5
170.01758	1.0
177.03947	0.2
179.03401	0.3
211.02513	2.4
271.04663	1.5
313.05740	1.6
431.70380	0.3
483.18820	100.0
484.19202	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	483.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.7
57.03331	0.3
58.29466	0.2
59.01270	3.3
59.65059	0.2
65.00204	0.3
67.01785	1.0
68.44198	0.2
69.03336	0.5
69.25269	1.8
69.25674	0.5
71.01268	3.2
72.99181	0.3
73.02854	1.2
73.03192	0.2
78.95766	0.2
79.01765	1.1
83.01292	1.3
83.01696	0.2
85.02833	1.9
87.00755	0.4
89.02348	0.3
93.26086	0.2
95.01299	2.0
96.95914	0.5
97.02857	0.7
99.00774	0.4
101.02341	2.3
107.01292	2.8
109.02895	0.3
109.99991	0.5
110.58788	0.2
111.00803	2.1
113.02373	1.4
123.00802	16.1
124.01540	1.0
125.02369	15.5
126.02708	0.7
127.00338	1.0
135.04419	0.2
136.98740	1.5
138.99246	0.3
139.00302	4.8
140.01115	3.0
141.01900	2.3
151.00316	11.4
151.03963	0.5
152.00653	0.2
153.01888	0.7
157.26593	0.2
163.03915	0.4
166.99828	0.4
168.00607	3.7
169.01384	19.3
170.01709	0.8
177.04034	0.2
181.05031	0.4
209.04710	0.3
211.02396	1.0
223.02538	0.2
253.03586	0.4
271.04642	0.4
313.05734	1.4
483.18823	100.0
484.19165	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.9
55.34167	0.2
57.03341	0.7
58.00484	0.2
59.01264	9.2
60.01610	0.3
61.01672	0.1
61.98717	4.5
63.41092	0.2
65.00212	0.2
67.01788	0.6
68.99719	0.2
69.03349	0.6
70.05612	0.1
70.93980	0.3
71.01269	8.5
72.01608	0.2
72.99197	0.9
73.02832	2.9
73.64236	0.1
75.00762	0.2
78.13179	0.1
78.95798	0.2
79.01797	0.7
81.03338	0.3
83.01279	3.2
85.02839	4.2
85.45309	0.1
86.00013	0.2
86.03197	0.2
87.00789	0.6
89.02322	1.2
95.01280	2.3
96.95909	1.3
97.02856	1.0
99.00779	1.3
101.02350	8.5
102.02686	0.4
103.03898	0.3
107.01287	3.2
107.04904	0.2
107.67039	0.1
108.02135	0.3
109.02856	0.4
110.00010	0.5
111.00793	2.1
113.02355	3.7
114.02688	0.2
119.03426	0.3
119.04956	0.2
123.00804	14.1
123.04475	0.3
124.01740	0.9
124.79061	0.2
125.02370	15.4
126.02717	0.6
127.00288	0.8
129.01918	0.2
135.04474	0.2
136.98747	1.3
137.02380	0.5
139.00305	4.5
140.01106	3.1
141.01862	2.3
143.03403	0.4
145.02873	0.2
145.04974	0.2
151.00311	11.9
151.03955	0.3
152.00812	0.6
153.01895	0.9
154.99779	0.4
159.02971	0.6
161.04504	1.6
163.03995	0.6
163.06061	0.6
165.01895	0.2
165.06622	0.2
166.99809	0.3
167.03427	0.2
168.00603	3.9
169.01385	21.5
170.01761	1.0
173.04555	0.1
175.03874	0.3
177.02048	0.2
177.04063	0.3
179.03395	0.4
181.05067	0.5
191.03416	0.2
193.01350	0.2
201.44211	0.2
209.04538	0.3
211.02470	1.1
219.48900	0.2
223.02545	0.2
249.04146	0.2
253.03453	0.4
266.15906	0.2
271.04764	1.2
277.16635	6.0
278.16992	0.3
298.58868	0.2
300.02853	0.5
300.99982	0.4
301.03568	0.5
313.05725	1.9
315.07303	0.2
326.46918	0.2
378.13086	0.2
422.21539	0.3
423.22382	12.8
424.22913	1.3
447.09335	0.6
483.18814	100.0
484.19165	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	483.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.6
59.01269	4.3
65.00187	0.5
67.01763	0.8
69.03337	0.7
71.01272	3.7
71.25763	0.3
72.99193	0.8
73.02847	0.7
73.45209	0.3
75.00755	0.6
75.03445	0.3
75.44392	0.3
79.01792	1.3
81.03365	0.4
83.01286	0.8
85.02863	1.7
89.02334	0.9
95.01292	2.1
96.99154	0.4
97.02840	1.1
99.00765	0.5
101.02340	2.5
105.14262	0.3
107.01292	4.6
108.24914	0.3
109.02909	0.5
110.00007	0.6
111.00793	2.8
113.02348	1.0
113.58425	0.3
117.75224	0.4
123.00798	19.0
124.01655	1.8
125.02364	20.9
126.02669	0.9
127.00309	1.2
127.22502	0.3
136.98749	1.6
137.02359	0.4
139.00304	6.0
139.03885	0.3
140.01102	4.6
141.01871	2.5
151.00311	14.2
152.00725	0.5
153.01869	1.0
154.99786	0.5
163.00317	0.6
163.03969	0.6
166.99817	0.4
168.00603	5.5
169.01379	30.0
170.01700	1.4
173.54482	0.3
177.04030	3.0
178.99916	0.7
179.03343	0.4
191.03363	0.4
211.02475	3.2
223.02469	0.4
229.62334	0.3
241.03519	0.5
243.03096	0.8
247.67528	0.3
251.56508	0.3
255.02939	2.0
271.02185	3.2
271.04721	1.7
272.03073	0.4
300.02823	6.9
301.00122	0.7
301.03503	5.2
302.00482	0.4
302.03778	0.6
313.05698	1.2
329.05139	0.8
427.24307	0.3
447.09448	7.9
448.09787	1.1
457.17535	0.3
483.18817	100.0
484.19168	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	483.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.5
57.03328	1.1
59.01264	8.1
60.06354	0.3
60.99196	0.6
61.98713	2.4
67.01775	3.7
69.03345	0.9
69.50536	2.0
69.50967	1.3
71.01268	7.9
72.99208	0.9
73.02823	2.2
78.95807	1.1
80.29910	0.3
81.03345	0.8
83.01288	1.4
83.04906	2.4
85.02843	3.7
87.00770	1.5
89.02350	1.1
93.03358	21.3
94.03669	0.5
95.01284	1.1
96.95914	11.7
96.96880	1.1
97.02889	0.8
99.00793	0.7
101.02339	4.3
107.01305	1.3
108.02065	2.4
109.02922	3.0
110.03173	0.6
111.00780	2.0
111.04427	11.6
113.02354	2.3
115.03897	0.4
117.03381	10.2
118.03728	0.5
119.04946	44.0
120.05289	2.0
121.02924	0.5
123.00794	2.6
125.02383	6.2
127.03958	1.5
137.02373	13.5
139.00284	1.1
140.01106	0.7
141.01944	0.6
145.02887	49.3
146.03185	2.4
151.00331	2.2
152.01155	2.6
153.01695	1.3
154.01483	0.4
155.03448	26.0
156.03764	1.1
159.02925	0.6
159.08046	0.5
161.04501	1.6
163.03960	47.7
164.04268	2.9
168.00591	1.0
169.01375	7.9
173.04512	100.0
174.04831	3.1
191.05556	2.0
195.08131	1.5
197.53589	0.4
211.02509	1.1
211.07582	0.5
213.09261	0.5
215.03464	0.4
220.74635	0.4
223.09789	0.7
239.07159	1.0
247.02571	0.6
257.08209	0.8
271.04669	1.5
275.09424	1.2
277.16608	6.8
283.06192	0.6
289.07388	0.6
300.02853	1.2
300.99899	2.0
301.03476	0.9
313.05750	0.6
319.08289	55.3
320.08633	5.3
337.09363	28.7
338.09814	3.2
423.22464	12.1
424.22684	1.2
447.09439	1.5
483.12943	17.8
483.18738	22.9
484.13132	3.2
484.19577	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	483.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02286	0.6
58.59007	0.6
59.01282	1.7
60.87927	0.6
65.00236	0.5
66.99744	0.5
67.01797	1.1
69.03347	2.4
70.60329	0.7
70.60658	1.4
71.01288	2.3
72.03644	0.7
72.99194	1.0
75.00766	4.1
80.71143	0.6
81.03366	1.3
83.01294	2.0
85.02791	0.7
93.03381	0.9
95.01302	3.3
97.02861	3.4
99.00822	0.7
101.02362	0.8
107.01297	8.6
109.02879	2.7
111.00805	5.0
113.02337	0.8
117.03385	0.7
119.04943	0.9
123.00802	10.5
123.04435	0.6
124.01608	15.8
125.02374	100.0
126.02687	3.7
135.04472	0.7
136.98738	0.8
137.02400	1.7
139.00322	6.9
139.03964	0.7
140.01106	3.7
141.01889	1.2
145.02875	1.2
147.04420	0.8
149.02408	1.5
149.99530	21.0
151.00328	4.9
153.01924	2.3
159.00832	0.5
161.02409	1.1
163.03990	1.2
165.01865	1.1
166.99855	5.6
167.03470	1.7
168.00607	41.6
169.01392	79.8
170.01697	3.6
170.51523	0.6
173.02374	1.2
175.04021	2.0
177.01929	1.6
182.99390	0.7
185.00862	1.9
188.55013	0.6
189.01875	1.2
191.03474	1.3
193.01375	1.3
193.98436	0.7
194.99352	1.8
201.02052	0.9
203.03502	2.3
211.02478	2.6
217.01347	0.9
218.02104	0.8
229.01563	0.8
241.03569	1.0
245.00941	1.4
245.73982	0.6
247.02448	2.9
257.00900	0.9
265.36349	0.6
270.99014	1.0
271.04761	1.5
274.01059	0.7
274.10812	0.7
275.02084	2.1
288.99835	0.8
291.01627	0.7
298.98532	0.8
299.99051	1.7
300.99963	12.9
302.00327	1.3
313.05762	23.5
313.09445	1.1
314.06094	1.6
315.07330	2.4
316.99463	2.8
331.06781	37.5
332.07117	2.1
439.08978	8.2
465.06924	1.8
483.07843	92.1
484.08234	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	483.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01273	1.9
59.50452	0.7
69.03333	1.0
70.99002	1.8
71.01269	2.5
72.60330	0.6
81.03330	0.9
83.01283	0.8
95.01295	1.7
97.02879	1.7
101.02362	3.6
107.01293	5.8
111.00789	2.5
113.02360	1.6
123.00800	8.3
124.01564	3.2
125.02370	63.1
126.02709	1.7
127.00302	1.2
136.98746	0.8
137.02342	1.9
139.00356	3.5
140.01096	3.6
141.01846	0.9
149.02353	1.1
151.00316	5.7
159.36827	0.6
165.01920	1.8
166.99805	3.4
167.03465	2.1
168.00583	10.6
169.01381	100.0
170.01707	4.2
179.03458	1.5
181.01414	3.8
183.02919	1.4
193.01418	7.7
203.03419	1.3
207.02901	1.2
211.02486	43.0
212.02812	2.4
223.02357	0.8
235.02530	2.3
241.03561	2.8
253.03619	2.0
260.12149	0.7
269.31607	0.6
271.04645	26.3
272.05035	1.7
275.02139	0.8
300.99991	2.9
313.05777	5.8
316.99365	1.1
331.06772	4.5
405.04568	0.8
423.05771	30.0
424.06161	3.6
483.07880	93.9
484.08185	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	483.0794
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
54.92579	0.6
58.91971	0.5
59.01286	2.0
65.00198	1.0
67.01815	0.9
69.03352	2.7
71.01295	2.5
71.25108	0.8
71.25447	0.6
72.99232	1.1
73.02852	0.6
73.99334	0.6
75.00768	1.2
77.35703	0.5
78.95779	0.8
79.01798	0.6
79.89941	0.5
83.01324	1.4
85.02866	1.9
87.00750	1.1
89.02345	1.0
95.01299	1.7
96.95949	1.0
97.02885	1.9
99.00790	1.2
101.02359	1.8
101.75862	0.6
105.03390	0.7
107.01291	8.1
109.02833	0.9
111.00802	2.1
112.98721	2.9
113.02371	2.5
119.03560	0.6
119.04980	0.7
123.00787	7.2
124.01578	4.4
125.02368	84.5
126.02685	3.0
127.00340	0.9
136.98665	0.7
137.02357	1.3
139.00331	3.1
139.03934	1.0
140.01073	3.1
141.01895	1.3
143.10646	0.8
145.01372	3.1
145.02936	0.8
147.04471	1.6
149.02365	1.0
149.99515	3.6
151.00301	11.9
153.01865	0.8
154.89409	0.8
159.04445	0.9
161.02348	0.7
165.01912	1.3
166.99797	1.4
167.03442	2.2
168.00597	16.8
169.01381	100.0
170.00356	0.6
170.01707	3.9
173.02354	0.6
175.03935	5.4
179.03455	0.8
181.01434	1.2
183.02934	0.8
185.02354	0.7
189.01881	0.7
191.03455	1.6
191.05588	1.4
193.01366	4.7
194.99274	1.0
201.01834	0.9
203.03561	5.7
211.02480	20.5
217.01384	1.2
221.04607	0.9
229.01320	0.8
231.02980	1.2
235.02461	0.8
241.03516	2.1
245.00972	0.9
247.02528	8.1
253.03496	0.8
257.01071	1.0
263.05768	0.8
271.01883	0.9
271.04666	14.0
272.04907	1.4
273.00439	1.1
275.01901	1.9
276.02307	0.8
287.07755	3.6
299.98914	0.8
300.99966	13.6
302.00113	1.7
303.00491	2.8
309.11951	1.2
313.05728	14.8
314.05890	1.3
331.06763	18.1
332.07092	1.1
391.06854	1.1
391.11652	0.6
423.05795	9.3
424.05865	1.5
439.08896	16.2
440.09174	1.9
447.11298	1.3
448.55118	0.6
449.11938	0.8
451.08896	1.3
465.06592	2.2
483.07574	88.4
484.07898	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	483.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43339	0.3
55.01778	0.3
60.26625	0.3
67.01788	0.5
69.03355	1.4
70.87463	0.6
71.01285	0.7
74.69939	0.3
81.03359	0.3
83.01309	0.4
85.02861	0.5
89.36569	0.3
95.01299	1.0
97.02872	1.3
101.02348	0.5
102.40646	0.4
107.01302	3.9
109.02864	0.4
111.00795	0.9
123.00827	3.0
124.01610	2.4
125.02371	100.0
126.02697	3.2
136.98827	0.4
137.02380	0.7
139.00291	2.2
139.03952	1.3
140.01062	1.0
151.00305	1.8
166.99843	0.8
167.03520	0.6
168.00612	6.2
169.01385	76.8
169.05031	2.4
170.01746	3.2
175.04033	0.4
185.00819	0.4
191.03517	0.5
194.99251	0.7
196.07634	0.3
211.02516	2.5
237.32799	0.4
245.00894	0.3
247.02481	0.9
271.04639	2.8
287.07785	14.1
288.08191	0.8
299.99265	0.4
300.99924	2.7
313.05692	8.7
314.06070	0.6
316.99521	0.5
331.06793	28.3
332.07227	2.0
380.73749	0.4
439.08899	49.8
440.09229	6.0
465.06845	1.4
483.07626	18.6
484.08035	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	483.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02286	0.6
58.59007	0.6
59.01282	1.7
60.87927	0.6
65.00236	0.5
66.99744	0.5
67.01797	1.1
69.03347	2.4
70.60329	0.7
70.60658	1.4
71.01288	2.3
72.03644	0.7
72.99194	1.0
75.00766	4.1
80.71143	0.6
81.03366	1.3
83.01294	2.0
85.02791	0.7
93.03381	0.9
95.01302	3.3
97.02861	3.4
99.00822	0.7
101.02362	0.8
107.01297	8.6
109.02879	2.7
111.00805	5.0
113.02337	0.8
117.03385	0.7
119.04943	0.9
123.00802	10.5
123.04435	0.6
124.01608	15.8
125.02374	100.0
126.02687	3.7
135.04472	0.7
136.98738	0.8
137.02400	1.7
139.00322	6.9
139.03964	0.7
140.01106	3.7
141.01889	1.2
145.02875	1.2
147.04420	0.8
149.02408	1.5
149.99530	21.0
151.00328	4.9
153.01924	2.3
159.00832	0.5
161.02409	1.1
163.03990	1.2
165.01865	1.1
166.99855	5.6
167.03470	1.7
168.00607	41.6
169.01392	79.8
170.01697	3.6
170.51523	0.6
173.02374	1.2
175.04021	2.0
177.01929	1.6
182.99390	0.7
185.00862	1.9
188.55013	0.6
189.01875	1.2
191.03474	1.3
193.01375	1.3
193.98436	0.7
194.99352	1.8
201.02052	0.9
203.03502	2.3
211.02478	2.6
217.01347	0.9
218.02104	0.8
229.01563	0.8
241.03569	1.0
245.00941	1.4
245.73982	0.6
247.02448	2.9
257.00900	0.9
265.36349	0.6
270.99014	1.0
271.04761	1.5
274.01059	0.7
274.10812	0.7
275.02084	2.1
288.99835	0.8
291.01627	0.7
298.98532	0.8
299.99051	1.7
300.99963	12.9
302.00327	1.3
313.05762	23.5
313.09445	1.1
314.06094	1.6
315.07330	2.4
316.99463	2.8
331.06781	37.5
332.07117	2.1
439.08978	8.2
465.06924	1.8
483.07843	92.1
484.08234	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	481.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01676	2.5
78.95793	37.1
84.31947	0.5
94.37503	0.5
96.96852	2.8
101.93350	0.5
106.67744	0.5
141.70218	0.5
152.99532	51.0
153.99835	0.9
171.00595	16.6
199.10570	0.4
203.07094	0.5
227.03285	4.5
245.04352	100.0
246.04738	3.8
253.21770	69.9
254.22092	6.5
255.58621	0.5
256.23535	0.6
283.93954	0.5
294.10999	0.5
300.99695	0.5
481.25812	52.0
482.26114	8.2
502.92902	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32403	0.5
71.10535	0.5
78.95798	37.5
96.96856	2.9
131.99832	0.5
150.97925	0.8
152.99530	55.6
153.99901	0.8
171.00598	17.2
227.03333	3.8
231.95024	0.5
245.04352	100.0
246.04732	3.2
253.21770	59.9
254.22105	5.2
404.81845	0.5
481.25842	46.5
482.26059	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	483.0793
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01268	2.1
69.03347	1.1
70.23499	0.5
71.01273	2.5
71.31316	1.0
72.99213	0.6
75.00793	0.7
83.01279	0.6
85.02833	1.2
89.02348	1.0
95.01299	1.7
97.02884	0.9
101.02358	2.3
107.01302	5.6
111.00796	2.6
112.01107	0.5
113.02364	1.3
123.00809	7.3
124.01652	1.3
125.02374	53.1
126.02739	1.4
136.98778	0.7
137.02368	1.4
139.00302	4.6
140.01097	3.0
141.01884	1.1
149.02350	0.7
151.00302	3.8
165.01900	0.9
166.99855	2.7
167.03470	1.6
168.00603	8.8
169.01382	75.9
170.01741	2.5
173.02422	0.6
175.03964	0.8
177.02013	0.5
181.01357	3.1
183.02988	1.6
191.03584	0.8
193.01404	7.2
195.02875	0.5
203.03531	0.7
207.03030	1.1
211.02481	30.8
212.02844	1.1
235.02472	1.4
241.03568	1.8
247.02573	0.9
253.03598	1.5
271.04651	19.2
272.05057	1.2
300.57504	0.6
301.00024	2.1
313.05734	6.8
314.05939	0.6
315.36902	0.6
316.99350	0.7
331.06760	4.5
350.92834	0.5
405.04797	0.7
423.05807	36.4
424.06104	3.9
433.65439	0.6
439.08899	1.4
445.09949	1.5
483.07892	100.0
484.08194	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	483.0792
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
54.01368	0.5
60.27472	0.5
61.16904	0.5
61.94719	0.4
67.01823	0.6
69.03382	1.1
71.01291	0.7
71.30441	1.0
75.21266	0.4
83.01310	0.7
95.01336	1.2
97.02882	1.0
101.98915	0.6
106.02045	0.7
107.01294	5.4
111.00793	0.7
123.00778	3.5
124.01606	2.7
125.02369	100.0
126.02716	3.5
139.00298	2.2
139.03922	2.8
151.00285	1.5
166.99849	1.1
168.00612	6.4
169.01382	79.7
169.04961	3.6
170.01712	3.0
175.03961	0.6
193.01456	0.6
194.99368	0.8
211.02425	2.3
271.04544	2.3
271.89923	0.5
287.04645	1.0
287.07767	16.3
288.08142	1.1
300.76456	0.6
301.00085	3.3
313.05731	10.1
314.05786	0.9
331.06793	29.7
331.10321	1.0
332.06940	1.6
351.90979	0.6
374.86630	0.5
376.05313	0.6
439.08884	53.3
440.09229	6.9
465.06625	1.8
483.07498	18.4
484.07919	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	481.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45569	0.8
55.01769	3.5
57.03339	3.6
58.00482	2.2
59.01265	100.0
60.01589	1.1
61.98710	2.6
69.03344	2.4
71.01270	50.1
72.01599	1.4
72.99192	3.0
73.02837	27.8
73.03250	1.5
73.37210	0.8
75.00754	1.1
80.18986	0.7
80.51304	0.7
81.03365	1.0
83.01270	12.8
83.04895	1.0
85.02844	22.9
85.99974	1.0
87.00773	5.1
87.04390	1.1
89.02342	19.5
95.01273	4.9
97.02837	2.6
99.00781	5.2
101.02346	63.1
102.02691	1.1
103.03921	11.5
107.01294	1.6
108.02086	1.4
109.02873	2.7
111.00815	1.4
113.02352	17.6
115.03925	2.1
118.84328	0.8
119.03406	11.7
119.04916	1.0
121.42103	0.9
123.00803	4.2
123.04432	1.4
125.02369	16.7
126.02746	0.8
127.00285	1.5
127.03941	1.3
131.03439	4.8
137.02364	1.8
139.00252	2.2
140.01071	1.2
143.03435	6.1
145.04982	4.8
151.00334	1.9
153.01831	1.0
159.02924	2.0
161.02440	1.1
161.04497	9.5
163.06070	50.1
164.06340	1.1
165.01932	1.0
167.03477	1.3
168.00569	1.0
169.01382	8.2
177.01878	1.8
189.01906	3.7
191.03438	1.0
192.33853	0.8
203.03360	1.3
205.07187	18.8
213.82245	0.8
217.01404	4.0
229.01541	1.0
265.09329	4.7
273.07816	1.3
275.15088	43.0
275.18088	2.1
276.15408	3.7
300.99881	3.5
307.10587	1.1
341.06802	3.9
357.06204	2.9
421.20892	86.2
422.21188	8.8
481.11197	2.4
481.17245	12.9
482.17966	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59888	0.3
57.03332	1.1
59.01267	3.0
61.98716	2.3
63.20322	0.3
65.58183	0.4
69.03352	1.7
69.43122	3.1
71.01266	5.5
73.02837	1.2
78.95802	0.4
80.50898	0.3
81.03354	1.7
83.01308	0.8
85.02845	5.3
87.00780	0.6
89.02329	1.1
93.03366	0.8
95.01286	3.7
96.95888	0.5
97.02832	0.6
99.00790	0.4
101.02376	2.4
107.01298	0.6
107.04950	0.3
108.02078	60.4
109.02870	40.2
110.03191	1.0
111.00796	0.4
113.02336	2.2
117.03344	0.6
119.03448	0.6
119.04929	0.9
121.02896	1.3
121.06581	0.4
123.00802	4.1
123.04444	1.9
125.02374	4.3
135.00890	0.7
135.04396	0.4
137.02386	1.3
139.00279	0.5
139.03874	0.3
139.11215	2.8
145.02878	1.4
147.50897	0.3
149.02443	0.4
151.03941	1.3
152.01093	65.3
153.01883	18.6
154.02196	0.4
161.02428	0.8
161.04555	0.7
161.05896	0.4
163.03957	1.8
165.01915	1.5
166.99860	0.4
168.00592	0.6
169.01366	4.1
170.01773	0.3
175.03951	0.7
179.03473	0.5
183.10173	1.9
189.01991	0.7
195.02962	0.3
203.03401	0.5
203.07184	0.5
211.02399	0.5
217.01474	1.1
245.08095	0.4
270.77292	0.3
275.02124	0.5
283.99805	0.3
289.07324	1.5
297.06216	0.3
300.99948	2.4
302.00186	0.5
315.07230	2.5
341.06619	1.8
357.06058	0.4
399.58691	0.7
419.91910	0.3
421.20868	1.5
435.10910	0.7
466.09979	0.3
481.17252	100.0
482.17603	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	481.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11823	0.7
57.03349	1.0
59.01267	100.0
60.01589	0.8
66.71901	0.7
70.90947	2.1
73.02850	1.1
83.04916	2.4
85.02828	1.6
87.43292	0.8
87.79409	0.7
89.02316	0.9
93.03361	1.7
94.14706	0.7
107.01309	4.9
107.04944	1.4
109.02853	4.3
111.04449	5.9
121.06525	1.4
123.00807	2.8
123.04441	1.6
124.01598	0.8
125.02368	11.2
133.06522	0.8
135.04478	1.0
135.08049	0.9
137.06020	2.1
140.01060	0.7
143.54924	0.8
145.02895	1.4
147.08119	3.0
149.06053	3.3
151.00333	0.8
161.02374	0.7
161.06036	2.7
163.07567	1.7
164.04689	1.2
166.99782	1.9
167.07146	2.2
168.00568	1.6
169.01389	13.2
173.06042	0.8
173.09766	1.0
175.07658	4.2
177.09047	0.8
178.06346	1.5
179.07069	3.3
180.40112	0.9
185.09695	18.2
188.08386	1.6
193.01364	1.4
198.07137	0.8
201.01949	1.3
201.09312	1.3
203.07143	2.2
203.10753	22.8
204.11099	2.2
211.11520	0.9
214.99890	1.1
215.10725	0.9
217.01509	1.2
218.09431	0.8
223.11353	1.0
229.01395	1.0
229.08772	4.4
230.09258	0.8
231.10251	1.8
233.11887	7.9
237.09155	1.6
243.10429	1.0
245.00841	1.4
249.03920	1.0
257.11993	2.0
264.11594	0.9
270.98990	1.8
271.02347	1.3
272.02682	0.9
273.03226	1.5
274.98898	0.8
275.02100	2.4
277.12482	4.0
283.13477	1.2
285.11261	2.1
287.01910	0.9
288.02655	0.9
289.02670	1.3
292.11172	0.9
295.13406	8.2
300.99982	9.3
301.14590	1.9
307.13586	3.8
313.14517	7.1
316.02280	2.0
317.02634	1.8
318.02869	4.6
325.14349	4.6
326.14737	1.1
331.15576	3.3
341.14069	1.4
343.15521	13.5
344.15979	1.3
355.15588	3.4
373.16690	1.1
385.16904	1.5
452.03018	1.9
481.08636	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	481.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01798	0.9
57.03341	2.8
59.01274	4.6
61.98717	2.5
67.01792	1.2
68.99699	1.0
69.03349	2.6
71.01284	2.6
71.04927	0.7
78.95802	1.4
79.44008	0.7
81.03350	5.6
83.01274	11.3
83.04951	0.8
85.02853	1.0
89.02347	1.5
93.03378	4.3
95.01284	3.8
95.04945	3.4
97.02861	13.7
98.20565	1.6
101.02352	1.1
105.03387	1.1
107.01292	1.6
107.04943	2.6
108.02097	3.5
109.02870	56.7
110.03194	1.8
111.00790	1.0
116.91827	0.7
117.03358	1.1
119.04941	2.1
121.02864	12.3
122.03668	8.1
123.00829	4.3
123.04446	34.6
124.01622	5.1
125.02370	27.0
126.02725	1.1
131.05020	1.4
133.02893	1.9
134.03665	1.6
135.04462	6.9
136.01610	1.0
137.02376	39.3
138.03200	5.1
139.03949	15.6
143.04863	0.9
145.02887	2.5
146.03688	5.4
147.04482	4.8
148.01628	0.9
149.02386	38.3
149.06023	1.2
150.03195	4.4
151.03951	32.9
152.04329	1.2
153.05489	2.5
154.02660	1.2
157.06612	0.7
158.03687	0.9
159.04453	8.3
160.05263	1.9
161.02394	8.6
161.06026	12.9
162.03198	5.3
163.00346	1.4
163.03957	12.4
164.01120	8.2
164.04739	24.4
165.01901	18.6
165.05534	4.4
166.02455	1.3
166.99815	1.7
167.03459	1.5
168.00575	1.4
169.01401	9.2
171.04576	0.8
173.06087	2.8
174.03145	2.1
175.03989	8.4
175.07620	2.9
176.01152	2.3
176.04672	1.6
177.01904	3.9
177.05530	4.6
178.02696	2.0
179.03477	12.4
179.07100	15.5
179.08504	0.6
183.04517	0.9
185.06035	2.3
187.03983	11.2
188.04788	7.0
188.84276	0.7
190.02696	1.7
191.03481	8.6
191.07034	0.9
192.04192	1.8
193.05078	1.9
197.06076	2.0
199.07567	1.1
200.04791	1.0
201.05550	3.9
202.06351	3.6
203.03535	4.1
203.07135	21.5
204.04263	1.0
204.07581	2.0
205.05048	21.9
206.05415	1.5
213.05620	5.7
215.07144	29.5
216.07590	2.4
217.05031	1.4
217.08705	1.6
219.06580	1.2
220.07533	1.2
221.08206	2.8
227.03503	1.0
227.07169	2.9
228.07715	0.8
229.05154	1.3
229.08784	2.6
230.05736	1.0
231.03012	2.7
234.08966	0.8
239.07162	1.4
241.05037	1.2
243.06609	1.0
244.07509	1.1
245.08231	21.6
246.08633	2.1
247.06157	3.4
247.09770	1.6
255.06732	2.6
257.08289	12.1
258.08612	1.7
271.06555	0.8
271.09711	3.5
282.05478	0.9
283.06143	0.9
285.11343	0.9
289.07260	100.0
290.07568	7.6
301.00034	2.4
301.07251	64.5
302.00531	1.2
302.07678	5.4
308.03412	1.0
315.08823	18.4
316.09195	1.5
317.10458	2.8
329.10406	2.8
357.09818	1.0
371.11411	2.0
384.04178	2.4
384.54315	1.5
437.16177	3.8
481.15143	97.6
482.15445	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	480.116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.7
59.01269	5.1
61.98724	4.4
67.01759	0.6
69.03324	0.8
71.01274	5.3
71.61713	0.9
73.02825	1.0
78.95793	0.8
79.01775	0.7
81.03333	0.6
83.01281	2.4
85.02840	1.8
87.00778	0.7
89.02341	1.6
93.03356	1.2
95.01285	1.7
95.04935	0.6
97.02843	1.4
101.02348	3.3
107.01294	5.2
107.04939	0.6
109.02876	3.2
111.00797	1.5
113.02368	1.8
119.03424	0.6
119.04945	0.5
121.02887	4.5
122.03616	0.6
123.00816	6.7
123.04445	21.7
124.01620	0.7
125.02373	36.5
126.02711	1.1
127.00307	0.9
136.05228	3.7
137.02405	3.0
139.00299	2.1
139.03938	0.8
140.01083	1.1
141.01877	1.1
145.02887	1.6
149.02419	2.2
151.00310	4.6
151.02696	9.3
151.03937	2.6
153.05521	25.6
159.04451	0.9
161.02406	1.2
161.04494	1.1
162.03178	0.5
163.03969	1.7
164.04791	1.1
165.01898	1.5
166.05052	100.0
167.05389	4.8
168.00533	2.3
169.01385	47.1
170.01740	2.2
173.04523	0.6
173.05968	0.6
175.03931	1.1
177.01849	0.6
179.03323	0.8
179.05556	0.5
179.07170	0.7
180.90431	0.4
183.01692	3.4
188.04776	0.6
191.03531	0.8
203.07129	1.5
205.01373	0.5
205.05057	1.0
211.02452	1.8
215.07121	2.4
217.01413	0.6
223.96884	0.5
230.02257	0.5
241.03508	1.0
244.07408	0.5
245.00978	0.7
245.08199	1.1
271.04492	0.6
273.00433	0.9
289.07297	5.8
300.99893	3.9
301.07242	3.1
302.00821	2.4
313.05728	63.1
314.06082	4.2
315.08777	1.1
404.05841	0.6
479.32385	1.7
480.11621	42.5
481.07489	2.0
481.11801	2.0
481.16516	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	480.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60868	0.2
57.03348	0.2
58.02880	0.1
59.01267	2.9
61.98718	100.0
62.98420	0.2
69.47169	0.4
69.47587	0.9
71.01273	1.7
73.02833	0.4
74.57040	0.1
74.57478	0.1
77.70834	0.1
78.95800	0.3
83.01271	0.4
85.02855	0.5
89.02369	0.7
93.03347	0.2
97.02842	0.2
99.00783	0.2
101.02346	1.1
107.04940	0.2
109.02867	0.6
113.02395	0.5
122.03671	0.3
123.00797	0.2
123.04457	0.5
125.02374	0.9
131.03432	0.2
137.02408	0.9
143.03415	0.2
149.02441	0.3
151.00346	0.2
151.03987	0.3
153.01886	0.3
161.04498	0.6
162.75421	0.2
163.03940	0.2
164.01115	0.3
165.01869	0.8
169.01366	0.6
177.01961	0.2
179.03539	0.3
203.07127	0.4
205.05148	0.2
247.06213	0.2
249.38779	0.1
255.06711	0.5
256.06992	0.9
257.07294	0.7
258.07574	0.5
289.07108	0.2
300.26846	0.2
301.00055	0.5
317.27148	0.3
367.32803	0.2
419.26758	0.3
425.73264	0.2
437.23654	0.3
472.86307	0.2
479.32474	0.7
481.06854	0.2
481.15753	0.4
481.22354	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	481.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78303	0.3
59.01266	1.6
66.26531	0.3
66.32870	0.3
71.01247	1.3
71.56507	0.5
74.58433	0.3
77.49761	0.3
85.02842	0.5
89.02304	0.4
95.01276	0.4
96.95899	0.9
96.96857	0.6
98.99665	0.3
101.02364	0.5
113.02352	0.4
115.52438	0.3
123.00811	1.3
125.02377	0.7
125.40602	0.3
139.00310	0.5
145.02847	1.2
147.04396	0.4
157.02869	0.8
159.04453	0.5
161.02412	0.4
163.03984	0.5
173.02383	1.5
175.02686	0.3
175.03975	1.3
185.02412	3.2
191.03477	0.9
201.01894	2.9
203.03488	2.3
213.01874	0.9
217.01372	0.4
219.02901	0.4
226.99873	0.5
229.01443	7.0
230.01810	0.8
231.02942	1.6
245.00937	1.6
247.02553	0.5
249.04114	1.5
257.00964	5.5
258.01617	1.8
273.00452	0.9
274.01288	0.5
275.02032	17.9
276.02283	1.5
283.99677	2.2
299.99167	2.4
300.99957	100.0
302.00302	8.3
481.06348	21.7
482.06638	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	481.1
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
52.51692	0.4
55.01775	0.4
57.03334	1.5
59.01265	4.3
59.39338	0.3
61.98720	2.1
65.00198	0.7
67.01776	0.8
69.03330	2.6
71.01271	4.2
72.99201	0.9
73.02829	0.7
75.00759	0.5
78.95775	0.5
79.01771	0.6
80.60381	0.4
81.03351	4.2
83.01279	1.9
84.18109	0.4
85.02837	1.6
87.00755	0.5
89.02347	1.7
93.03355	0.6
95.01283	1.7
95.04929	1.0
96.95905	1.3
96.96888	0.4
97.02851	2.1
99.00789	0.6
101.02341	1.7
107.01306	7.7
107.04909	0.4
108.02090	3.2
108.24829	0.3
109.02876	2.2
111.00800	1.6
113.02365	1.2
117.03381	0.3
119.03419	0.4
119.04971	0.7
121.02916	0.5
123.00813	7.6
123.04447	24.8
124.01569	1.2
124.04784	0.9
125.02375	40.1
126.02692	1.5
127.00347	0.5
130.23477	0.4
135.00841	3.5
135.04500	0.7
136.98738	0.6
137.02382	1.7
139.00325	2.4
139.03967	2.6
140.01071	1.6
141.01863	1.1
141.84180	0.4
145.02925	0.7
149.02376	1.1
149.04523	0.7
149.99548	0.5
151.00320	6.2
151.03952	1.2
152.01134	3.7
153.01857	1.6
161.02429	1.1
163.00378	0.8
163.03983	1.4
165.01880	1.1
166.02640	1.0
167.03459	62.5
168.00589	4.1
168.03796	2.3
169.01387	43.5
170.01746	1.7
175.00388	0.4
175.04013	0.8
177.01938	1.8
179.03503	0.8
181.05035	0.4
183.02971	3.0
187.03957	0.4
189.01877	1.6
191.03508	4.7
193.01392	0.6
193.98557	8.3
194.99266	1.7
201.66788	0.4
203.03534	1.0
209.04553	0.9
211.02492	5.4
217.01477	1.8
219.02994	0.4
229.01462	0.4
231.02966	0.5
233.04517	0.6
241.03650	1.3
243.02895	0.4
243.16911	0.3
247.02568	0.5
253.03629	0.6
271.04672	4.1
272.04855	0.4
275.02017	0.9
287.02051	0.6
289.07104	0.6
296.05475	0.5
297.06229	0.7
301.00079	2.7
313.05734	16.4
314.06036	1.0
315.07172	0.9
327.07254	0.6
341.06854	1.2
357.06198	1.2
421.20810	0.7
437.10965	2.3
439.08856	1.5
449.07242	5.4
450.07599	0.6
481.09976	100.0
482.10278	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	479.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	17.0
69.68590	16.8
69.73155	2.4
71.01273	13.5
72.99188	2.1
73.02839	27.4
76.66601	2.2
82.81808	2.1
83.45582	2.2
85.02864	4.4
87.00743	2.4
89.02343	17.7
99.00787	6.7
101.02345	10.5
107.01305	5.3
113.02367	4.2
119.03434	5.8
123.00828	4.4
124.01673	2.1
125.02378	33.5
139.00293	3.1
155.46541	2.4
165.01860	2.1
168.00592	20.1
169.01367	55.0
191.05620	3.0
194.07614	2.6
198.89246	2.1
211.02480	98.4
212.02782	5.5
218.57234	2.5
271.04648	100.0
272.04974	7.6
327.09375	23.0
331.06726	8.7
461.09192	2.9
479.10553	72.9
480.10968	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	479.1207
Annotation	Ampelopsin 3'-methyl ether 4'-rhamnoside
Peak:m/z	Relative Intensity
59.01270	6.3
66.43553	0.4
69.03354	0.5
70.72706	1.1
71.01279	2.5
73.02861	0.7
79.01803	0.8
83.01276	0.5
85.02826	0.9
87.00777	0.6
87.86330	0.4
89.02329	0.7
93.03381	2.1
95.01289	1.5
97.02862	0.8
101.02350	1.2
107.01304	5.4
109.02912	0.5
111.00787	1.6
113.02365	1.1
119.04947	0.8
121.06522	2.1
121.53590	0.4
123.00802	10.2
124.01624	0.9
125.02373	32.1
127.00311	1.0
135.04459	0.5
136.98743	0.9
137.02380	0.7
139.00311	3.2
140.01064	2.0
141.01862	1.6
149.02409	0.4
151.00327	8.1
151.03922	0.8
153.01846	0.9
157.01378	0.4
165.04124	0.8
165.05522	13.5
166.05789	0.8
166.99794	0.4
167.03519	0.4
168.00615	2.6
169.01384	43.1
170.01721	2.2
179.42667	0.5
193.01428	0.7
211.02490	1.7
223.02525	0.6
241.03668	0.4
253.03691	1.1
259.59720	0.4
270.15335	0.4
270.99057	0.6
271.04669	1.2
271.99396	0.6
272.99744	0.5
287.01898	0.6
298.98602	0.5
299.98825	0.6
300.99197	1.0
313.05713	12.2
314.00787	0.7
314.06146	1.2
315.01010	1.0
316.01596	2.6
332.41882	0.4
461.11026	5.7
462.11618	1.1
479.12164	100.0
480.12488	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	479.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69460	0.3
58.00492	1.6
59.01266	100.0
60.01596	1.0
60.84131	0.3
61.98716	3.0
70.77334	0.3
70.77666	0.8
71.01272	25.8
72.01612	0.6
72.99210	1.4
73.02843	0.8
83.01254	0.6
85.02840	3.8
87.00777	1.8
89.02341	39.1
90.02691	0.8
95.01307	1.3
101.02345	13.7
102.02716	0.4
109.02880	0.6
113.02364	11.7
119.03425	16.8
120.03815	0.4
122.03713	0.6
123.04487	0.7
125.02403	1.0
131.03462	2.1
137.02420	1.4
143.03445	4.3
149.04518	1.8
161.04523	5.6
164.01138	0.4
165.01874	1.9
169.01418	0.9
171.10361	0.4
179.05573	16.6
226.78354	0.4
239.14568	0.9
289.03918	0.4
326.08563	0.3
332.14709	0.4
387.20520	0.6
479.20996	4.3
479.31171	1.1
480.21149	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28947	0.2
59.01256	0.5
63.02274	0.3
65.00216	0.8
74.16008	0.3
76.76663	0.3
88.74062	0.2
96.23253	0.3
103.99524	0.3
107.01289	2.0
109.02866	1.0
113.19727	0.2
116.24784	0.2
123.00802	0.3
124.01606	2.5
125.02393	1.3
135.00795	0.4
136.01582	0.6
137.02377	2.4
146.14594	0.2
151.00314	6.9
152.01111	1.7
161.02351	0.4
163.00378	1.6
164.01085	2.1
165.01862	0.6
169.01474	1.2
178.99846	7.0
180.00316	0.3
185.02353	0.4
187.03996	0.6
188.04785	0.2
190.02606	0.3
191.03130	0.3
192.00595	0.7
197.90388	0.3
199.04005	0.6
203.03484	1.2
204.04283	0.5
206.02200	0.3
211.02469	0.4
214.00661	0.4
214.02710	8.1
215.03391	1.3
216.04117	0.3
219.02937	0.3
227.03555	0.9
229.01511	0.3
231.02905	0.3
232.03772	0.7
234.47281	0.3
241.01425	0.5
242.02223	6.2
243.02979	3.4
259.02509	6.9
259.05203	0.5
260.03021	0.8
261.03867	0.3
270.01752	7.0
271.02527	43.7
272.02878	3.6
278.69684	0.2
287.02051	24.0
288.02536	3.2
299.01978	0.7
315.01685	1.7
316.02307	100.0
317.02924	22.7
317.08423	0.4
318.03348	1.4
331.07025	0.3
345.29239	0.3
374.88730	0.3
479.08395	97.2
480.08740	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	479.0843
Annotation	4-o-Galloylbergenin
Peak:m/z	Relative Intensity
51.06935	0.5
59.01263	1.0
59.99367	0.7
65.00195	1.3
69.97783	2.9
74.07710	0.6
95.01290	2.3
98.20468	0.8
101.94271	0.6
107.01300	2.2
109.02885	1.1
110.00013	7.1
111.00813	3.6
114.59306	0.6
123.00821	3.3
124.01591	2.2
125.02370	4.5
135.00781	1.4
136.98724	1.6
137.02412	1.3
137.99510	2.1
138.03087	0.8
139.00296	9.6
140.01057	1.2
143.04971	0.9
146.41072	0.8
151.00311	9.6
152.01109	5.8
153.01860	1.7
159.04521	1.4
161.02394	1.7
163.00323	2.7
164.01088	1.9
165.01862	2.4
165.99026	6.3
166.99812	3.9
169.01390	1.0
171.04478	1.3
173.02319	1.1
174.03233	0.7
175.03963	2.1
177.01892	1.9
178.99817	8.5
180.00391	0.9
181.01303	0.8
187.04031	3.0
189.01924	1.2
190.02580	1.1
190.99829	1.0
191.03325	1.1
192.00548	1.4
193.01352	1.0
194.14465	0.7
194.99316	0.6
199.03868	1.8
201.01846	0.9
202.02782	1.5
203.03494	5.8
205.01442	2.0
206.02321	0.8
206.99318	1.4
213.01878	1.9
214.02634	1.3
215.03465	3.8
217.01385	1.2
218.02153	1.2
219.02980	2.5
221.00902	1.1
229.01469	1.7
230.02173	2.0
231.02992	3.6
232.03513	1.0
233.00868	0.8
234.01701	0.9
237.40472	0.6
241.01428	1.8
242.02115	1.5
243.03001	6.0
245.00882	1.5
245.04526	0.7
246.01476	0.9
247.02577	3.3
248.03146	0.9
257.00937	1.2
258.01709	2.6
259.02487	8.0
260.03183	1.4
261.04013	1.2
271.02487	6.3
275.01996	1.7
276.02658	0.7
286.01270	2.8
287.02057	24.6
288.02628	6.5
289.03558	5.2
299.05627	1.1
303.01480	2.3
304.02213	3.6
305.02997	1.4
314.00967	0.8
315.01541	41.1
316.01865	4.0
327.07224	0.8
332.01788	64.7
333.02518	28.3
334.02798	1.2
435.09451	1.0
461.07394	7.7
462.07962	0.8
479.08368	100.0
480.08762	12.6
489.37366	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80107	0.6
52.02703	0.5
55.01776	1.1
57.03329	1.6
58.00492	1.4
59.01265	100.0
60.01607	1.4
61.98717	27.5
69.45264	2.7
69.45690	1.7
71.01271	39.8
72.01614	1.0
72.99194	3.1
73.02836	4.8
75.00779	0.8
77.65372	0.5
83.01284	3.5
85.02844	10.2
87.00785	2.7
87.04444	0.5
89.02338	36.2
90.02666	0.6
95.01292	3.1
96.95958	0.5
97.02880	1.0
98.19775	0.9
99.00803	2.0
101.02350	28.6
102.02725	1.0
105.34505	0.5
107.01316	1.5
108.02110	1.0
109.02890	2.0
113.02354	19.4
119.03416	15.3
119.04247	0.8
119.04855	0.5
123.00851	1.1
123.04500	1.0
125.02374	5.0
126.02786	0.5
131.03439	2.1
143.03456	4.4
145.02892	1.2
148.29065	0.5
149.04530	1.8
151.04066	0.5
159.02995	1.2
161.02505	0.7
161.04507	15.4
162.04836	0.7
163.03975	0.6
167.03429	1.1
169.01379	5.3
170.01746	1.7
177.01923	0.6
179.05592	12.7
179.10794	1.0
205.03502	0.6
253.05148	3.0
254.05338	3.1
255.05664	2.5
255.19724	7.0
258.01636	0.5
270.98953	3.3
271.99402	0.5
273.07901	1.5
283.99832	0.6
285.00500	1.4
286.01459	0.7
298.98438	6.4
299.01590	0.7
299.98987	1.2
300.10333	1.1
301.00089	1.7
302.00305	0.5
305.68600	0.5
312.99951	2.6
314.00717	6.2
314.03738	0.6
315.01447	0.9
315.12619	1.2
325.09735	0.6
340.99533	0.5
417.25018	56.0
418.25327	5.4
443.76920	0.5
477.06720	12.3
477.18527	1.1
477.26358	5.3
478.07645	1.6
478.27985	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90200	1.1
59.01270	6.3
63.02271	2.9
65.00215	7.8
69.35558	9.2
69.35966	3.2
71.01266	1.5
79.01797	1.3
83.01288	5.2
89.02297	1.2
95.01304	3.0
96.99214	1.4
97.02844	1.5
101.02355	1.6
106.00528	2.6
107.01319	11.7
109.02858	18.8
110.00031	2.9
111.00788	11.6
121.02905	1.5
123.00813	11.3
124.01592	2.3
124.98785	1.8
125.02367	11.1
131.04909	1.3
133.02913	4.1
135.00830	2.0
136.98735	3.7
137.02386	2.3
139.00311	12.3
140.01077	1.9
141.01881	3.1
143.04956	1.6
145.02893	2.3
147.00734	1.3
147.04398	3.1
148.01593	2.8
148.98659	1.7
149.02397	4.5
149.99564	8.2
151.00311	52.1
151.03912	2.2
152.01018	3.8
153.01886	7.3
154.99821	1.8
159.04491	6.6
160.01486	1.3
161.02403	4.8
161.06035	2.0
163.00323	3.6
163.03954	2.5
164.98221	2.3
165.01866	1.7
165.99049	3.8
166.99864	6.1
168.00609	13.7
169.01373	12.2
169.02678	2.3
169.04518	1.2
171.04488	5.4
173.02422	2.1
174.03177	2.0
175.03981	8.8
177.01881	4.6
177.45604	1.3
177.99036	10.4
178.99835	62.7
180.00249	3.5
181.01392	3.2
185.02428	1.8
186.03391	2.1
187.03961	8.9
189.01906	6.1
190.02682	2.2
190.99940	1.7
191.03395	2.9
191.18425	1.3
192.00647	3.0
193.01437	3.7
194.99324	4.0
197.00887	3.2
197.02486	1.9
198.03069	1.7
199.04005	5.0
201.01923	3.7
202.02528	2.3
203.03502	8.9
204.04048	1.8
204.97839	3.5
205.01451	2.1
205.05051	3.0
206.99333	2.6
207.02975	2.1
209.00948	1.8
213.01918	2.2
214.02667	1.6
215.03529	11.0
216.04004	1.5
217.01427	1.9
217.05080	2.5
218.02086	2.0
219.02991	2.9
222.98851	4.7
227.03522	2.6
229.01418	3.9
231.02977	7.3
232.03755	11.0
233.00934	1.9
233.04575	16.6
241.01491	1.6
242.02141	2.0
243.03044	14.2
245.00934	3.8
245.04599	5.2
246.01561	1.9
247.02530	2.3
257.00903	3.0
258.01688	2.3
259.02551	12.1
260.03168	2.9
261.04068	9.9
269.01059	2.8
271.02478	29.1
271.05057	2.5
272.03024	2.6
286.01312	3.9
287.02060	44.5
288.02615	8.8
289.03589	10.7
297.00412	4.8
299.02078	5.4
300.02905	3.2
303.01520	1.7
304.02002	1.5
305.03223	3.0
314.00656	2.1
315.01547	100.0
316.01947	8.9
332.01736	12.0
333.02606	16.2
334.02832	2.0
339.07260	3.8
343.06818	8.5
344.07544	1.8
356.72147	1.5
379.10339	5.2
407.10010	4.3
435.09348	3.7
451.08365	1.6
461.07410	7.0
462.08475	2.0
479.08411	56.7
479.15582	16.4
480.08820	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46816	0.7
55.01766	1.5
57.03352	2.3
58.00456	0.7
59.01267	100.0
59.09243	0.7
59.53389	0.7
60.01603	1.7
61.98716	10.0
69.03357	0.9
69.75147	0.7
71.01273	40.7
71.61811	1.4
72.99209	2.4
73.02842	9.8
75.00754	2.0
78.95809	0.9
81.03351	0.9
83.01273	4.0
85.02840	15.3
87.00783	2.8
88.26324	0.7
88.98709	2.2
89.02341	16.9
95.01319	3.4
96.95975	0.9
97.02849	1.0
99.00770	4.0
101.02348	27.9
101.03006	1.4
107.01308	2.9
109.02898	1.6
113.02361	16.5
115.03981	1.0
119.03422	8.3
119.04955	1.0
123.00822	3.3
123.04449	1.0
125.02369	18.8
125.03246	1.2
126.02734	1.8
129.01794	0.7
142.17165	0.8
143.03458	2.5
145.02939	0.8
148.05180	0.9
149.04485	1.3
151.00301	1.8
159.03003	2.1
161.02466	1.0
161.04507	22.9
161.05843	1.3
162.04883	0.9
163.03986	0.8
163.07674	0.9
165.01971	1.1
166.81470	0.8
166.99797	0.7
167.03532	0.7
168.00594	1.3
169.01393	17.6
169.02805	1.4
170.01727	3.7
171.05756	0.7
177.01904	1.8
179.05608	2.8
179.72174	0.8
192.58025	0.8
205.03508	1.3
237.15041	1.7
245.08414	1.0
247.02565	0.8
255.16220	2.8
255.19734	1.3
269.00867	0.9
270.98907	7.9
283.99814	1.8
285.00562	2.8
286.01169	1.3
287.01944	0.9
289.07349	3.7
298.98392	13.4
299.99002	2.4
301.00012	2.7
302.00482	1.2
313.00076	4.3
313.05811	1.9
314.00723	15.7
315.01291	1.3
324.08508	1.0
324.58908	1.4
382.46951	0.8
400.09644	1.1
400.59293	8.8
401.09555	3.1
401.59894	1.2
409.92441	0.9
417.25055	76.9
418.25391	11.4
476.60229	2.3
477.07077	23.5
477.14148	5.8
478.07422	3.9
478.14169	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48424	0.5
55.01773	1.5
57.03326	1.7
58.00467	0.7
59.01265	100.0
60.01604	1.4
61.98721	7.0
69.03369	0.6
69.40434	4.6
71.01270	31.0
72.01620	0.5
72.99204	1.7
73.02837	8.1
75.00771	0.5
83.01291	4.2
85.02840	11.1
85.03342	0.6
87.00788	1.9
87.04417	0.8
88.98689	0.9
89.02341	18.2
89.29188	0.5
93.03382	0.6
95.01297	2.2
97.02855	0.9
99.00778	3.1
99.71807	0.5
101.02348	27.7
102.02660	0.6
107.01296	1.2
109.02901	0.8
111.00806	0.9
113.02359	13.6
119.03427	7.6
119.04899	0.7
121.02831	0.5
123.00831	1.6
125.02363	6.9
126.02708	0.8
131.03465	1.4
137.02391	2.3
139.00334	0.7
140.01068	0.5
143.03441	3.4
145.02931	1.3
146.90384	0.5
148.05252	1.2
149.02434	0.7
149.04521	1.7
151.00339	1.2
151.03943	0.9
159.02925	2.5
161.04509	19.3
162.04836	0.9
163.04059	1.1
168.00580	0.6
169.01378	7.6
170.01753	0.8
179.05592	8.9
189.01772	0.6
191.01929	0.4
193.01413	1.0
205.03558	0.7
217.01598	0.6
231.74976	0.5
241.09837	0.5
243.03206	0.6
255.16154	1.6
255.19766	1.8
270.98969	4.2
271.02554	2.4
271.10983	1.3
271.99365	0.6
283.99847	0.5
285.00549	1.5
286.01270	1.3
289.07303	1.2
298.98520	7.0
299.02133	2.2
299.99298	1.1
300.02884	5.8
300.99936	1.5
313.00092	1.9
313.05994	1.4
314.00818	8.1
314.04520	3.4
315.01553	0.9
315.05115	12.5
315.09106	0.8
315.12540	4.0
315.19666	1.2
316.05530	1.3
316.12866	0.6
326.00879	0.7
341.06671	0.7
415.16156	4.5
417.25031	46.7
418.25385	5.5
435.11023	0.5
460.10980	0.7
477.06918	6.7
477.11948	5.4
477.25412	1.7
478.06390	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06878	0.9
55.01773	1.7
57.03341	2.7
58.00486	2.8
59.01268	100.0
60.01619	1.0
61.98717	7.2
69.51131	3.6
69.51556	3.4
71.01276	72.4
72.99189	5.1
73.02843	13.2
83.01275	7.7
85.02848	20.6
87.00777	4.2
89.02343	60.4
95.01286	4.3
99.00793	4.7
99.04456	1.0
101.02351	51.1
107.01305	1.7
113.02361	31.5
119.03426	27.9
119.04091	0.5
125.02364	7.4
126.02711	1.3
131.03444	3.5
143.03438	9.6
147.61212	0.9
149.04510	2.8
159.02943	3.0
161.04509	31.9
162.04819	1.3
163.03935	1.0
169.01384	7.5
170.01753	1.3
175.96585	0.8
177.05518	1.3
179.05591	23.5
205.03456	1.1
209.15593	1.2
255.19678	5.7
270.98956	9.9
271.99319	0.9
283.99673	1.5
285.00507	2.4
286.01166	1.0
298.98422	12.6
299.99139	2.4
300.99963	3.3
302.00125	1.9
302.23639	1.0
313.00000	4.4
314.00827	13.2
315.01440	1.6
315.19708	4.4
377.80737	0.9
417.25034	58.3
418.25400	9.2
462.54965	1.3
477.06903	21.7
477.19580	2.0
477.27722	2.2
478.07404	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	477.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16825	0.9
54.21742	0.9
55.01775	6.1
57.03347	9.3
57.28192	0.8
58.00483	3.3
59.01265	94.3
60.01590	1.4
61.98713	10.8
62.64674	1.1
69.03343	2.3
69.41429	9.0
71.01271	95.1
72.01618	1.7
72.99205	6.8
73.02835	21.4
74.98996	3.1
75.00761	2.5
81.03363	0.9
83.01272	13.5
83.04908	1.4
85.02844	34.4
87.00761	6.3
89.02336	61.3
90.02710	1.3
95.01285	7.9
97.02855	6.2
98.20618	1.7
99.00774	8.5
99.04419	4.6
101.02348	100.0
101.10766	1.0
102.02695	1.7
107.01305	1.3
108.53270	0.9
109.02851	1.9
111.00777	1.3
113.02361	45.1
114.02663	1.0
115.03880	1.5
117.03465	1.0
119.03420	27.7
123.00851	1.6
125.02374	10.7
131.03448	4.9
134.72818	1.0
136.99098	3.5
137.02414	5.7
143.03429	11.0
145.02934	1.8
145.37109	1.0
147.00847	2.6
149.04552	2.4
151.49702	0.9
153.63408	0.9
159.02940	4.9
161.04514	32.8
162.04958	1.1
163.00258	1.0
165.01862	5.0
169.01376	7.3
170.01785	1.7
175.00412	2.0
176.01126	1.7
179.05577	22.0
191.03384	1.2
202.99861	3.9
205.03656	1.4
208.00186	3.8
209.00984	8.7
221.06721	3.1
235.02658	1.5
246.98862	10.3
247.99457	1.0
258.01480	1.1
261.53375	1.0
263.07825	3.2
270.98837	9.3
279.01529	6.2
283.99704	1.3
285.00455	3.0
286.01224	1.1
289.07428	1.2
298.98392	13.7
299.99072	3.0
300.02872	4.3
300.99997	2.9
313.00012	3.8
313.05630	1.4
314.00748	14.3
315.01553	1.9
315.05115	10.8
315.12582	1.5
315.18161	18.7
315.25644	1.5
316.18689	1.0
350.30182	1.4
399.07272	1.0
417.25177	2.6
459.16931	1.1
462.04352	1.1
477.06735	23.6
477.23782	36.1
477.30771	6.9
478.07123	5.5
478.24216	3.6
478.30847	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01609	0.8
60.36204	0.3
61.81970	0.3
61.98716	2.0
68.11705	0.3
69.36955	0.3
69.37265	3.0
71.01278	6.9
72.99247	0.3
73.02834	0.4
75.00787	0.3
80.28759	0.3
83.01262	0.4
85.02840	1.2
89.02364	0.7
99.00765	0.4
101.02382	1.1
107.01308	0.6
113.02369	1.0
114.27045	0.3
125.02379	1.6
141.06323	0.3
161.04485	0.6
169.01414	1.9
223.17088	0.6
241.18182	2.3
270.98904	2.2
271.99387	0.4
275.02200	0.3
283.99817	0.3
285.00656	0.5
286.01459	0.6
298.98416	3.3
299.99142	0.8
301.00104	0.6
302.00314	0.4
309.20856	0.3
313.00085	1.0
314.00702	3.2
380.63269	0.3
385.22437	8.4
386.22842	0.7
477.06824	6.0
477.19183	0.5
477.27850	1.0
478.07291	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38074	0.5
53.96693	0.5
57.03345	1.1
59.01265	100.0
60.01600	1.5
61.98721	3.2
71.01270	33.3
71.04919	0.7
72.01619	0.9
72.99199	0.5
73.02837	1.2
83.01289	1.0
85.02857	2.1
89.02346	3.1
93.03410	0.6
95.01308	0.9
101.02365	2.5
107.01270	0.6
108.02125	0.5
109.02921	0.7
113.02342	2.9
119.03471	1.3
123.00838	0.7
123.04462	0.6
125.02393	2.6
137.09682	0.7
139.00253	0.5
143.03464	0.7
145.02917	0.6
151.00339	0.7
152.01108	0.5
161.02547	0.5
161.04533	1.0
163.03960	0.8
167.03441	1.2
169.01392	2.7
179.05661	1.2
179.14383	0.9
197.15512	0.6
205.12346	1.0
223.13383	5.3
241.14482	17.0
242.14941	1.5
270.98923	2.6
295.15558	7.1
298.98297	4.0
299.99258	0.6
300.99976	0.8
313.00085	0.9
314.00778	3.4
343.99521	0.5
385.18762	34.3
386.19128	4.3
395.47266	0.5
464.51215	0.4
477.07224	4.2
477.14352	3.3
478.07727	1.1
478.14078	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1417
Annotation	Lindleyin
Peak:m/z	Relative Intensity
51.40541	0.2
55.01784	0.6
57.03342	0.3
59.01265	12.0
61.98716	2.3
65.00190	0.5
67.01781	0.6
68.99693	0.4
69.03358	0.8
70.98386	0.2
71.01269	6.1
71.27903	0.4
72.99210	0.8
73.02814	1.2
75.00784	0.3
79.01794	0.9
81.03361	0.5
83.01277	1.7
85.02843	2.2
87.00771	0.5
88.98719	0.6
89.02338	1.3
93.03367	0.2
95.01292	1.8
97.02864	1.4
99.00782	0.5
101.02342	4.1
107.01295	7.4
109.02868	0.9
110.00021	0.5
111.00787	2.7
113.02351	2.1
116.04992	0.4
119.03413	0.5
119.04951	0.4
121.02856	0.3
123.00806	12.6
123.04422	0.6
124.01595	0.9
125.02370	45.5
126.02705	1.5
127.00289	1.2
131.03413	0.3
135.04433	0.3
136.98717	1.5
137.02382	1.3
139.00310	4.2
139.03944	0.5
140.01096	3.4
141.01866	1.4
145.02878	0.8
147.04460	0.3
148.05241	22.8
149.02361	0.3
149.06038	1.9
151.00317	7.5
151.03944	0.7
152.00725	0.2
153.01854	0.5
159.02892	0.4
160.05208	0.2
161.02441	0.4
161.04524	1.9
161.05768	0.4
162.03180	0.2
163.03920	0.5
163.07599	7.2
165.01917	0.4
166.99756	0.5
167.03479	0.7
168.00587	4.5
169.01387	57.0
170.01720	2.7
175.04045	0.2
177.01952	0.3
177.05515	0.2
179.03453	0.6
179.05524	0.5
181.01497	0.2
183.02983	1.2
188.04713	0.3
193.01405	0.6
195.03004	0.3
203.07182	0.5
205.05168	0.3
209.04544	0.4
211.02539	1.5
223.02513	0.6
241.03650	1.0
245.08244	0.6
253.03558	0.9
254.95518	0.3
270.98914	1.8
285.00400	0.5
286.01227	0.3
289.07260	4.1
297.06262	0.8
298.98370	2.7
299.98880	0.4
301.00021	0.5
302.00406	0.4
313.00470	1.2
313.05716	14.7
314.00797	2.5
314.06030	1.2
327.07358	0.8
361.09430	0.4
399.66266	0.3
400.59427	0.6
417.25073	3.8
418.25565	0.3
477.14081	100.0
478.07462	0.7
478.14398	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	477.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01789	0.9
57.03335	0.7
59.01268	100.0
60.01617	1.1
61.01701	0.7
61.98730	5.6
68.02429	2.5
69.03362	1.0
69.30659	0.9
69.31049	5.5
71.01274	18.4
72.99205	1.2
73.02845	4.7
75.00763	1.1
79.95657	0.8
83.01286	1.7
85.02847	5.9
86.01918	0.7
87.00776	1.3
88.00320	0.6
88.98707	4.4
89.02339	6.4
95.01318	2.0
96.95920	7.5
97.02895	1.0
99.00794	2.4
101.02346	10.5
101.96284	0.6
107.01312	1.7
113.02362	8.1
114.00106	0.6
114.02728	0.9
119.03425	1.4
119.04957	0.9
123.00790	3.2
124.01604	1.8
125.02386	8.2
126.02745	1.4
132.02136	1.4
134.03665	0.9
137.02420	1.1
139.03951	0.9
140.01080	0.7
143.03418	1.6
145.02904	1.0
149.02385	0.6
149.04539	0.7
150.03189	0.6
151.00369	0.9
151.04059	0.6
155.10753	0.9
159.02989	2.4
160.01619	6.4
161.02426	1.1
161.04510	16.6
161.05829	1.2
163.00375	0.7
163.03943	1.6
165.05652	0.6
168.00603	1.2
169.01381	9.7
173.04605	0.8
175.03995	8.0
179.03386	1.1
179.05574	1.0
189.01917	0.6
193.05098	0.8
197.72192	0.6
199.09807	0.6
202.79808	0.6
203.03557	0.9
205.03506	1.0
218.08258	0.7
223.13477	1.0
241.14500	1.3
255.15952	0.8
266.03967	0.6
269.99713	0.6
270.98907	7.9
271.02298	1.1
271.98990	0.6
275.02252	0.6
283.99731	1.4
285.00500	2.6
286.01242	1.1
287.02069	0.9
295.15573	0.7
298.98447	12.7
299.01855	1.2
299.99014	1.9
300.99991	3.1
302.00470	0.9
313.00116	2.6
314.00845	10.7
314.04291	1.2
315.01468	1.6
315.05252	0.9
325.09497	1.8
337.09570	2.0
375.20282	1.1
385.18890	1.8
401.10077	2.2
401.60229	1.6
417.25061	1.9
438.10532	0.8
477.07111	19.0
477.14059	4.0
477.23807	1.4
478.07416	2.4
478.12543	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	477.1049
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
55.01778	0.6
57.03329	0.9
59.00991	0.6
59.01269	8.1
60.01598	0.5
61.42053	0.5
69.03341	1.4
71.01274	10.3
71.12463	0.6
71.12820	0.9
72.99184	0.7
73.02827	4.3
75.00780	0.6
80.55688	0.5
83.01280	3.1
85.02847	5.6
87.00777	1.2
89.02342	2.8
91.01756	0.5
95.01279	1.4
97.02854	1.8
99.00772	1.2
101.02346	8.6
107.01274	2.8
111.00759	0.8
113.02337	4.3
117.03513	0.5
119.03452	1.2
119.04951	1.0
123.00805	2.0
124.01585	2.4
125.02371	33.2
126.02750	1.3
139.00331	0.8
143.03409	0.8
145.02879	3.3
149.02348	0.6
149.99542	2.5
150.55363	0.5
151.00310	7.3
152.00977	0.6
158.55504	0.5
159.03012	0.8
159.04382	0.7
161.02385	0.7
161.04503	7.9
163.00320	2.3
163.04048	0.6
163.06015	0.6
164.01161	0.9
168.00592	6.1
169.01382	51.3
170.01717	1.8
171.04509	1.5
175.03958	1.1
178.99850	5.1
187.03958	1.8
199.03944	3.4
201.01982	1.2
203.03484	4.3
211.02444	1.0
214.02679	1.2
215.03511	4.0
216.03972	0.6
217.01439	0.5
227.03543	2.0
230.02113	0.7
231.02992	3.4
234.56310	0.5
241.01497	0.7
242.02199	4.4
243.00505	1.0
243.03001	19.9
244.03485	1.8
247.08444	0.6
255.02899	0.9
257.04611	3.9
258.01724	0.5
259.02524	9.6
270.01724	5.3
270.99292	1.5
271.02487	26.9
272.02924	2.8
275.02182	0.7
285.00912	0.8
285.04065	10.7
286.01517	0.9
286.04822	2.9
287.02060	19.7
288.02353	2.8
298.01205	0.6
298.98447	2.6
299.02057	3.6
299.99490	0.9
300.02890	2.6
300.99979	1.1
301.03525	1.1
303.01749	0.5
313.00122	1.1
313.05771	2.1
314.00824	3.1
314.04303	17.8
315.01566	34.9
315.05075	4.4
316.02267	14.6
317.02859	1.5
330.03867	46.1
331.01013	1.8
331.04535	40.5
331.17715	8.5
332.04901	4.7
332.18185	1.0
357.06189	0.7
477.10617	100.0
477.22937	8.6
478.11026	14.5
478.23520	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68830	0.7
57.03340	0.9
59.01257	3.9
66.14787	0.6
67.01766	0.7
69.71616	4.7
71.01262	4.2
81.03351	0.9
83.01298	1.0
84.26463	0.7
85.02866	1.3
87.00862	0.7
90.69272	0.7
90.90410	0.7
95.01289	1.1
97.02844	1.7
101.02361	1.9
107.01290	7.1
109.02853	1.9
111.00796	1.9
113.02380	1.4
117.03374	4.7
119.04968	2.9
123.00809	6.6
123.04475	0.9
124.01611	2.1
125.02374	61.3
126.02688	2.2
131.23384	0.7
136.98792	0.7
137.02361	1.8
139.00313	3.0
140.01141	1.6
145.02884	18.5
146.41899	0.6
151.00319	5.9
151.03969	1.5
153.01895	0.8
161.06036	0.8
163.03952	2.3
166.99803	0.8
167.03520	1.5
168.00604	6.2
169.01382	100.0
170.01773	3.6
184.18372	0.7
193.01369	1.2
200.01109	1.1
203.07292	0.8
211.02473	26.6
223.02481	0.9
224.55696	0.7
241.03703	3.4
242.99368	1.2
245.08218	1.3
257.00632	0.7
258.01575	0.9
270.98941	13.1
271.04642	36.5
272.05008	1.9
285.00516	1.1
289.07297	5.9
297.00064	0.8
298.98367	14.2
299.01846	0.8
299.99164	61.8
300.99591	5.5
312.99973	2.9
313.05719	34.6
314.00754	13.1
314.06046	2.5
315.01529	61.6
316.01843	6.0
331.06912	7.6
332.07211	1.2
441.08484	6.9
477.10373	51.0
478.05930	0.8
478.11865	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68993	0.4
59.01267	2.8
67.01779	0.8
69.03334	1.2
71.01267	5.7
71.17854	1.0
73.02819	0.6
79.01797	0.6
81.03341	0.6
83.01277	0.7
85.02862	1.2
89.02332	0.9
95.01296	1.7
97.02850	0.8
98.86038	0.5
99.00800	0.7
101.02346	2.0
107.01298	6.8
111.00797	1.4
111.44957	0.5
113.02377	1.8
114.96741	0.4
117.03386	6.9
119.04931	2.1
120.52843	0.4
121.02893	0.5
123.00803	7.0
123.04431	0.6
124.01600	2.2
125.02371	59.2
126.02723	2.1
127.00373	0.6
134.41982	0.4
136.98781	0.5
137.02438	0.5
137.90756	0.5
139.00269	3.0
139.04008	0.7
140.01125	2.5
141.01869	1.2
145.02887	19.8
146.03223	1.0
151.00305	5.9
163.03969	1.9
165.01935	0.5
167.03450	1.5
168.00600	7.8
169.01382	100.0
170.01741	4.2
177.01801	0.6
177.62704	0.5
179.03439	0.5
179.47206	0.5
187.03943	0.8
193.01485	0.5
211.02486	32.1
212.02888	1.7
231.94688	0.5
241.03578	5.1
253.03517	0.7
271.04660	47.5
272.02536	0.5
272.05072	3.4
285.00281	0.6
298.98480	2.2
299.01959	1.0
299.99350	1.3
301.00122	0.9
313.05728	38.3
314.00754	1.8
314.06122	2.9
315.01715	0.9
315.05231	1.8
331.06769	12.8
332.07138	1.0
407.69891	0.5
477.10587	73.4
478.10934	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	477.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	10.5
61.98704	2.6
65.00211	1.1
67.01781	0.7
71.01276	5.6
71.58501	0.7
73.02847	1.6
75.00755	1.6
81.03350	1.9
83.01273	1.9
85.02854	2.4
89.02338	1.5
91.01801	2.0
93.03347	1.8
95.01281	2.2
99.00784	0.9
101.02361	3.9
103.99648	0.7
107.01282	2.2
108.02077	1.5
108.18253	0.8
108.78907	0.7
109.02866	8.0
111.00755	1.2
113.02367	2.5
119.01310	2.6
119.03410	1.2
119.04918	4.1
123.00804	4.8
124.01562	0.8
125.02374	9.2
134.03671	1.6
135.00844	1.2
137.02373	41.6
138.02759	1.1
139.00275	2.4
141.33842	0.7
145.02907	1.4
147.00803	8.1
151.00278	1.9
155.03395	1.8
161.04503	2.3
163.00323	7.6
163.03938	3.5
164.01118	9.1
165.01892	53.3
166.02292	2.0
166.99889	1.3
168.00497	0.7
169.01378	10.9
170.01764	1.0
174.03197	0.9
175.00325	6.4
176.01044	2.7
176.02551	0.7
177.01851	1.6
178.99846	8.7
180.00627	2.5
189.01848	0.8
190.02739	1.2
192.74580	0.7
193.05086	1.0
201.01852	1.4
202.02698	3.0
202.99841	24.6
204.00276	1.6
206.99333	5.5
208.00121	56.8
209.00900	85.2
210.01265	4.9
215.03621	0.8
230.02242	2.8
241.05040	0.8
245.00946	2.1
246.98877	100.0
247.99228	7.3
253.05029	0.9
261.00436	0.8
270.98813	2.9
273.00546	1.0
274.01236	1.6
285.00430	1.0
297.07690	1.2
298.08643	0.9
298.98306	4.9
299.05618	1.1
301.00058	1.7
312.99902	1.4
313.10806	0.8
314.00803	4.6
315.19580	1.1
320.05472	2.3
325.06943	0.8
329.10538	1.3
340.02197	1.2
355.12701	1.2
357.09821	1.1
369.48111	0.8
373.09451	1.7
396.05994	1.5
401.08832	11.7
402.09207	1.6
417.12961	2.3
417.24780	1.2
433.11514	10.5
434.11841	2.4
477.06693	9.8
477.18225	1.0
477.25256	4.2
478.07455	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	477.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14312	0.7
59.01254	1.3
67.01767	1.0
68.55062	0.8
69.03339	1.5
71.01272	4.0
71.12653	2.0
72.99181	0.7
73.21941	0.7
75.13858	0.8
79.01768	0.8
83.01311	0.8
85.02830	1.6
89.02323	1.2
95.01257	2.1
97.02855	1.3
99.59158	0.7
101.02367	2.5
101.95625	0.6
107.01295	10.3
111.00789	1.5
113.02354	1.6
119.04945	95.7
120.05275	4.4
123.00806	14.7
125.02371	67.5
126.02708	2.5
136.98758	1.1
137.02283	1.1
139.00307	4.2
140.01077	2.2
141.01808	1.5
146.22787	0.8
151.00305	11.2
163.03955	43.6
164.04282	2.5
167.03445	1.3
168.00603	4.0
169.01385	100.0
170.01723	5.1
193.01463	0.9
211.02509	2.6
214.02591	0.8
221.97275	0.7
241.03622	1.9
242.02234	1.2
242.99445	3.7
253.03542	0.8
258.01724	5.8
259.02264	1.1
270.98898	62.8
271.99310	5.2
282.99054	0.9
283.99701	9.0
285.00467	20.0
286.01242	12.6
286.82758	0.9
297.00528	1.7
298.98401	91.7
299.98901	13.4
300.99954	4.5
302.00262	1.5
312.97095	0.6
313.00058	29.1
313.05695	49.0
314.00735	88.6
314.06387	2.7
315.01123	8.0
420.49146	0.8
433.11453	1.6
445.04135	0.9
462.04614	0.9
477.06635	85.1
477.10852	79.1
478.06812	11.0
478.11249	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	477.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01273	4.0
60.01188	0.7
60.99180	1.7
61.33560	0.8
65.00224	0.9
67.01785	1.0
69.03344	1.1
71.01263	4.4
71.59528	1.4
79.01801	0.8
83.01270	0.7
83.98889	0.6
85.02829	1.3
87.00761	0.9
88.98706	15.3
89.02330	2.3
93.03369	0.9
95.01284	1.9
97.02859	2.2
99.00813	0.9
101.02361	2.7
107.01297	13.9
108.01621	2.1
109.02908	0.8
111.00799	2.4
113.02351	2.0
119.04949	52.9
120.05302	3.3
123.00811	11.5
125.02376	66.6
126.02716	6.5
127.00340	0.9
133.02802	1.0
133.06461	0.8
136.98717	1.6
137.02376	1.8
139.00281	4.3
140.01062	2.0
141.01839	1.5
145.02876	1.9
147.04515	1.3
149.02332	1.1
151.00305	7.4
152.00667	0.8
153.01843	0.9
161.02370	1.3
163.03963	25.7
164.00999	0.9
164.04300	1.1
165.01878	1.0
166.99852	1.9
168.00592	2.9
169.01385	100.0
170.01724	10.7
171.01813	1.9
173.02431	1.1
175.04018	3.8
176.04416	1.1
177.01852	1.3
189.01994	0.8
191.03226	1.1
192.55743	0.7
193.01427	2.5
194.51302	0.7
201.01933	1.6
203.03458	2.9
204.03867	1.5
209.01048	1.0
211.02490	1.7
217.01370	0.9
221.04550	1.4
223.00227	0.7
229.01500	1.6
230.01956	1.1
231.03050	1.1
232.03316	0.9
237.00449	1.0
242.99352	1.2
243.02977	1.0
245.01021	1.2
247.02505	2.4
248.02939	1.5
249.03912	1.0
257.00870	1.0
258.01666	3.0
270.98917	19.0
271.99399	1.5
273.00580	1.2
275.02039	4.9
276.02457	1.8
283.99734	2.7
285.00482	6.3
286.01184	4.4
298.98407	32.4
299.98923	5.7
300.99954	20.8
301.03452	1.2
302.00339	10.6
303.00403	1.9
313.00101	10.7
313.05722	24.4
313.97086	1.7
314.00748	31.2
314.06348	1.9
315.01273	3.5
320.01477	0.9
387.12927	4.1
417.21582	0.9
433.11505	7.7
434.11636	1.0
453.54102	3.2
454.04404	1.7
459.09155	2.2
462.54849	5.6
463.04797	4.4
476.54623	4.7
477.06024	20.9
477.10379	95.6
478.11826	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	477.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50485	0.8
71.01270	2.6
87.00764	1.0
95.01272	1.7
101.02347	1.2
107.01307	5.9
111.00727	0.9
113.02375	1.3
114.01762	1.1
119.04944	52.6
120.05267	2.6
123.00786	9.2
125.01431	2.0
125.02367	40.9
126.02716	1.9
139.00313	2.6
140.01038	2.3
141.01918	1.2
151.00304	8.3
163.03967	28.4
164.04338	1.5
168.00540	3.0
169.01385	64.8
170.01714	1.8
173.98924	0.9
193.01379	1.2
211.02461	2.1
220.82613	1.0
241.03618	1.1
242.02048	1.2
242.99310	3.1
258.01782	5.3
270.98907	53.9
271.99323	4.3
282.98721	1.3
283.99738	8.6
285.00439	19.5
286.01257	13.9
297.00479	1.8
298.98392	88.9
299.98880	12.7
300.99896	2.3
313.00006	28.1
313.05655	26.2
313.09421	1.4
314.00745	100.0
315.01169	9.7
326.65369	1.0
374.20627	0.9
431.79227	1.0
477.06854	69.1
477.11255	20.5
478.07156	7.7
478.12155	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0684
Annotation	Hypolaetin 7-O-glucuronide
Peak:m/z	Relative Intensity
53.08279	1.1
54.83749	1.2
57.03308	1.4
59.01266	23.5
60.01601	1.3
61.98702	3.0
63.02272	2.2
65.00199	4.4
66.25523	1.3
69.67943	5.7
69.68350	2.6
71.01244	5.8
72.99185	1.5
73.02824	1.6
75.00706	1.4
79.01787	1.4
83.01266	4.2
85.02834	2.7
88.98695	7.8
89.02313	7.3
93.03329	2.8
95.01253	4.3
99.00754	4.2
101.02275	3.0
107.01270	9.9
107.09327	1.1
108.02049	1.7
109.02845	4.9
111.00759	4.7
113.02332	2.5
117.03362	11.8
118.36546	1.3
119.03398	2.0
119.04914	3.6
121.02822	4.7
123.00791	8.4
123.04423	2.2
124.01585	3.5
125.02367	17.9
126.02670	2.4
133.02895	1.8
136.98727	2.7
137.02405	6.0
139.00301	17.3
139.03917	1.6
140.00941	1.4
141.01814	2.4
143.04883	1.3
145.02881	40.9
146.03204	2.3
147.00787	1.5
149.02312	4.6
149.99477	4.2
151.00320	19.2
151.03860	3.3
152.01047	1.5
153.01830	5.5
154.02618	3.7
155.04967	1.5
155.10704	2.8
160.98059	1.4
161.02415	6.2
161.04469	1.7
163.00243	3.4
163.03899	4.3
164.01004	1.3
164.98212	3.7
165.01836	4.2
165.99019	1.4
166.99815	17.3
168.00607	7.6
169.01357	22.2
169.04991	1.6
170.01662	1.7
171.04443	1.7
175.00261	3.6
176.01128	1.9
177.01917	22.7
178.02556	3.7
178.99844	22.4
179.03368	4.6
180.00276	1.6
187.03947	2.1
189.01848	4.6
190.99791	4.3
191.03448	2.1
192.00543	2.3
193.01398	11.2
194.99327	18.5
195.02969	3.4
199.03900	3.2
199.09784	1.7
201.01826	1.7
202.99767	2.2
203.03316	1.6
205.01408	8.8
206.01862	1.4
207.02905	1.8
211.02315	1.8
215.03377	4.8
217.01369	4.5
219.02962	2.6
221.00827	3.0
227.03455	5.0
230.02199	2.0
230.99338	1.9
231.02863	2.7
233.00883	5.6
233.04533	1.6
242.02113	2.6
243.03012	6.1
245.01001	3.2
245.04317	1.9
247.02324	2.5
255.02879	5.0
255.05186	3.4
255.16095	3.0
257.00830	1.7
258.01743	2.5
259.02429	4.4
267.02927	1.6
270.99048	6.1
271.02386	8.5
271.04874	1.7
273.04138	1.6
275.01883	3.3
281.00870	1.3
283.02518	7.8
283.99591	1.7
284.02689	1.8
285.00488	4.1
285.03806	2.6
287.01895	5.2
288.02545	1.8
289.03418	1.5
298.01132	2.3
298.98279	11.5
299.01917	10.1
299.99008	2.9
300.02438	2.3
300.99777	4.1
301.03500	5.7
302.00348	1.4
307.08221	5.5
311.02002	3.3
312.99765	5.7
313.05692	3.5
314.00742	14.1
315.01321	5.0
315.04773	1.6
315.13455	1.6
317.03052	6.8
318.03320	1.4
327.01584	12.1
328.99310	2.2
329.02899	5.1
329.99817	1.6
331.00839	2.2
331.06860	2.0
332.01550	2.8
333.02441	1.9
342.00134	3.3
342.96991	1.7
343.00980	25.8
344.01343	4.1
345.02405	4.8
350.19821	1.5
353.03027	1.7
355.00940	7.2
356.01660	2.2
357.02417	3.2
359.00311	1.6
360.00662	1.9
361.01776	2.2
373.02078	45.4
374.02234	4.3
431.06268	6.4
453.53809	1.3
459.05801	24.9
460.06036	2.9
477.06644	100.0
477.13681	9.2
478.06808	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	476.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42067	0.2
59.01249	0.5
70.25773	0.6
78.95795	13.0
96.96862	0.7
97.06472	0.2
122.00101	0.2
125.02381	0.3
140.01125	2.3
152.99548	1.6
169.01416	0.5
171.00606	1.6
196.03735	1.2
214.04861	3.1
261.22308	0.4
279.23349	100.0
280.23694	9.6
298.98373	0.2
300.99969	0.3
314.00824	0.4
476.27945	16.5
477.28244	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	476.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	0.7
62.96294	0.3
70.35617	0.9
78.95795	55.3
89.56639	0.2
96.64114	0.2
96.96871	3.2
98.19839	0.2
107.01315	0.4
122.00055	0.8
122.82317	0.2
122.98486	0.3
125.02345	1.1
134.98454	0.3
136.25607	0.2
137.83109	0.2
140.01111	5.5
152.98309	0.4
152.99533	7.0
166.02675	0.4
169.01385	1.2
171.00603	7.5
196.03787	11.2
197.04140	0.2
214.04854	2.5
219.96700	0.2
261.22290	0.5
270.99158	0.2
279.23352	100.0
280.23703	10.0
280.26785	0.5
298.98599	0.4
301.00012	0.6
314.00705	0.4
402.24222	0.7
446.00476	0.2
474.64633	0.2
476.27939	54.0
477.06866	0.8
477.28186	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	475.3802
Annotation	Sipholenol F
Peak:m/z	Relative Intensity
54.53612	0.4
56.35759	0.4
59.01264	3.0
83.89783	0.5
85.48158	0.4
98.20556	1.1
125.02432	1.0
128.92622	0.5
161.86023	0.4
169.01349	1.2
290.06436	0.6
291.23291	2.4
341.07889	0.5
431.39227	4.1
432.39532	0.7
475.38116	100.0
476.38474	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93213	0.3
59.01283	1.3
59.01504	0.2
70.90215	0.7
71.01273	0.4
78.95798	23.7
80.10094	0.2
83.04910	0.3
96.96890	0.3
104.15074	0.3
111.50979	0.3
122.00037	0.7
125.02383	0.5
134.98535	0.4
140.01131	6.9
152.99530	2.1
168.02133	0.3
169.01404	0.5
196.03786	12.1
214.04855	3.1
233.22774	0.5
259.20752	0.4
275.20184	0.5
277.21786	100.0
278.22134	11.4
300.99741	0.3
474.26376	36.5
475.26709	5.7
475.33188	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52522	0.5
54.29469	0.5
54.41296	0.5
57.03336	0.7
58.00479	1.3
59.01265	100.0
60.01606	0.7
61.98735	1.2
71.01272	24.6
71.15799	1.1
72.99189	1.5
73.02853	1.0
83.01277	0.7
85.02841	3.9
87.00768	1.0
88.98753	0.6
89.02338	33.8
90.02717	0.7
95.01315	1.6
101.02338	15.5
106.01055	0.5
107.01314	1.5
113.02361	11.4
115.98776	0.5
116.04752	0.5
119.02577	1.2
119.03421	17.3
119.04239	0.9
123.00788	1.3
123.04418	0.9
124.04751	0.7
125.02376	6.0
131.03465	2.3
132.86259	0.5
137.02350	0.6
143.03436	4.0
149.02419	0.6
149.04530	2.0
161.02451	0.8
161.04503	5.1
166.99825	0.7
167.03514	1.8
168.00609	0.8
168.03815	0.8
169.01401	7.9
170.01790	0.7
179.05585	11.2
182.04599	2.4
209.59036	0.6
245.00948	0.8
273.07941	0.8
274.08121	1.0
275.08450	1.4
292.09958	0.6
300.99905	3.7
302.00604	0.6
313.00571	0.6
415.23477	6.6
416.23718	0.8
476.14420	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3649
Annotation	Sipholenone E
Peak:m/z	Relative Intensity
57.31722	0.8
59.01262	2.3
60.99181	2.5
70.04617	4.1
82.33431	0.8
85.06488	2.9
98.20491	1.3
108.84570	1.0
113.06023	0.9
113.60929	0.9
160.16879	0.8
205.15968	2.2
313.25507	1.4
329.28720	1.6
357.31931	1.4
369.31549	1.3
373.34799	17.5
374.35110	3.0
385.35034	1.5
399.32785	4.8
400.33051	1.0
409.34888	11.5
410.35251	1.5
417.33832	35.0
418.34235	3.5
429.33783	10.0
430.34198	1.1
444.68512	1.1
457.25027	1.2
473.28564	10.0
473.36478	100.0
474.29346	2.7
474.36838	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	474.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42671	0.2
59.01266	0.9
61.75244	0.1
69.67127	0.1
71.01263	0.3
78.95795	14.0
96.96848	0.5
140.01128	2.6
147.27141	0.2
152.99533	1.8
155.07515	0.2
164.72168	0.2
167.15015	0.2
169.01221	0.2
171.00613	1.4
196.03778	1.3
201.49538	0.2
214.04839	3.1
233.22823	0.4
236.50450	0.2
259.20621	0.3
275.20227	0.4
277.21777	100.0
278.22131	10.8
278.25305	0.3
301.00085	0.2
320.23535	0.2
416.03714	0.2
474.26373	17.3
475.26721	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3647
Annotation	Machaeroceric acid
Peak:m/z	Relative Intensity
64.61432	0.3
70.43281	0.4
70.68463	0.8
71.04915	0.5
75.13181	0.3
86.76652	0.3
109.06491	1.3
111.08140	0.4
123.08073	1.5
130.59270	0.3
134.07307	0.8
145.50797	0.3
205.15985	0.7
261.06229	0.4
379.30234	0.6
393.31525	1.1
395.33286	1.3
409.34836	12.9
409.40375	0.6
410.35428	1.7
411.36398	35.3
412.36758	5.5
429.37454	19.5
430.37723	3.0
443.35205	0.9
455.35333	2.4
456.35825	0.8
457.25290	0.6
473.36453	100.0
474.36774	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3281
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
52.82784	0.7
53.84466	0.7
56.33858	0.6
59.01234	2.5
62.73161	0.5
67.92886	0.6
71.58159	0.7
71.58527	0.7
85.06461	0.8
87.04334	0.7
119.34789	0.7
131.82294	0.7
149.35751	0.6
180.89468	0.6
191.12212	0.6
205.15894	1.3
207.17429	1.5
353.28641	4.0
367.29785	2.1
369.31360	1.4
383.33051	1.7
411.32553	1.3
429.33777	24.2
430.34326	4.0
455.25720	0.9
455.31638	15.3
456.31677	2.8
473.32410	100.0
474.32788	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	473.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70871	0.3
56.12678	0.3
59.01263	100.0
60.01602	0.8
61.98712	0.4
71.08242	0.4
71.08568	0.5
73.12801	0.3
99.20066	0.3
112.87480	0.2
114.01102	0.3
230.37810	0.3
262.79797	0.3
378.32724	0.3
408.22729	0.3
469.90314	0.3
473.33676	0.9
474.33594	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	0.6
58.00492	0.7
59.01268	26.6
61.98721	4.8
65.73152	0.5
71.01273	10.6
71.56520	0.8
72.99196	1.2
73.02864	0.8
75.00764	1.3
79.76064	0.6
83.01288	0.9
85.02839	3.0
87.00806	0.7
89.02345	10.5
95.01289	1.2
97.06510	0.6
99.00809	0.7
101.02345	6.2
113.02372	4.8
116.50108	0.6
117.01736	0.6
119.03392	3.5
119.90229	0.7
121.02889	1.2
122.03649	1.4
122.86799	0.6
123.04465	0.7
125.02380	3.4
131.03441	0.8
143.03391	0.9
161.02434	0.6
161.04512	1.9
167.14400	2.8
169.01379	2.5
179.05585	2.7
189.64453	0.5
199.40486	0.5
207.17685	0.9
223.20712	2.3
231.17599	0.8
231.96091	0.6
233.15570	1.0
249.18625	8.5
250.18958	0.7
251.16536	1.1
251.20404	0.8
267.19736	77.4
268.19998	7.0
275.16617	9.7
276.17001	1.1
287.64035	0.7
293.17673	43.0
294.17871	4.1
307.19418	1.8
311.18729	100.0
312.19086	9.6
335.18652	1.2
353.19785	4.5
411.47870	0.6
413.21613	0.8
437.40268	0.6
473.23523	11.0
474.24490	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	473.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36783	3.0
57.03316	3.3
59.01265	100.0
61.98715	32.6
70.05330	2.9
70.31158	3.0
71.01269	23.3
71.60081	5.7
73.02814	6.8
73.36472	3.0
74.98988	37.7
75.11135	2.9
78.95767	3.3
83.01229	5.7
84.21584	3.0
85.02834	11.1
87.00746	4.2
87.54680	3.6
87.62592	3.4
89.02356	15.5
95.01307	3.0
96.95872	3.7
97.93389	3.0
101.02371	21.4
113.02351	14.9
113.10381	2.9
119.03424	9.6
119.04950	11.2
120.99515	3.1
123.00795	7.7
123.04460	4.5
125.02373	26.3
135.04420	3.9
136.99097	44.5
137.02330	5.0
139.00258	4.7
143.03439	3.8
145.02847	3.4
146.49518	4.4
152.23871	3.2
161.02338	4.0
161.04472	12.2
163.03952	11.8
169.01408	23.4
175.03928	5.2
219.18037	3.4
251.16475	6.3
265.94101	3.3
289.07220	5.8
300.99930	8.9
329.02914	3.8
408.38663	3.6
413.21796	10.9
428.12231	3.4
472.54742	4.5
473.21536	43.4
474.22046	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	471.349
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
52.97983	0.2
53.89191	0.2
57.03336	4.5
59.01264	1.9
71.28553	0.5
83.04462	0.4
83.04923	4.8
109.06508	0.6
117.13813	0.3
119.93343	0.2
121.06487	0.3
122.17777	0.2
125.09654	3.7
133.40886	0.2
151.11235	0.3
153.09171	0.6
172.67490	0.3
191.14398	4.6
192.14520	0.3
193.12273	1.7
247.20641	0.4
273.22321	2.2
285.22321	0.6
341.28552	3.4
342.28879	0.7
351.26965	1.4
352.27402	0.3
357.49487	0.3
367.30133	8.3
368.30560	1.8
393.31671	1.3
394.31958	0.3
409.34790	1.4
410.35126	0.3
411.32773	4.0
412.33090	0.6
453.33698	1.0
471.34897	100.0
472.35245	18.4
496.15665	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.349
Annotation	3alpha-Hydroxy-2-oxofriedelane-20alpha-carboxylic acid
Peak:m/z	Relative Intensity
56.55104	0.6
56.86275	0.7
58.21954	0.7
59.01278	3.6
70.56078	2.4
91.39246	0.8
96.46753	0.7
98.19670	0.9
100.50063	0.8
162.66936	0.8
187.28441	1.0
195.49792	0.7
273.12778	0.8
366.16550	1.1
409.34790	1.4
427.35898	89.1
428.36237	19.4
445.75424	0.8
471.34915	100.0
472.35300	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.349
Annotation	3alpha,27-Dihydroxy-28,20beta-taraxastanolide
Peak:m/z	Relative Intensity
57.03341	17.6
59.01254	8.7
69.03355	5.0
71.01273	2.3
71.04907	8.7
76.40884	2.4
78.95810	3.2
79.18486	2.7
80.02593	3.1
83.04914	39.7
84.98089	2.8
87.04436	5.3
93.03342	6.3
95.04929	29.3
95.86312	3.0
97.06527	9.3
107.04933	10.4
109.06498	18.4
113.06013	5.3
123.04486	4.4
135.08083	6.1
135.11703	2.7
135.47244	2.6
137.09735	5.2
139.07617	5.8
147.08176	2.5
149.09700	3.2
151.07626	15.8
151.11232	16.9
153.09167	5.0
153.12817	30.5
157.29951	2.8
166.10007	5.9
167.14400	2.8
193.16037	4.5
194.20755	3.2
201.16505	3.1
219.17657	5.2
229.31523	3.8
233.19328	3.9
243.17615	4.9
261.18604	27.6
301.21960	9.6
303.19699	6.5
304.31668	2.7
317.21417	4.4
319.22787	36.2
320.23322	4.6
339.27148	3.2
358.68610	3.1
386.80807	3.0
395.29562	17.8
404.22528	2.9
413.30585	19.9
435.33011	14.0
453.33881	28.3
454.34256	6.0
471.35165	100.0
472.35336	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	471.3489
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
58.00465	0.2
62.28690	0.1
70.67135	0.1
70.90517	0.2
89.46424	0.1
98.19823	0.1
104.25838	0.1
136.66553	0.1
150.51897	0.1
184.98215	0.1
198.80991	0.1
236.42604	0.1
240.06778	0.1
377.28586	0.2
385.57254	0.1
393.31714	0.6
409.10672	0.1
423.32843	0.8
471.34894	100.0
472.35251	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3491
Annotation	Falcatin A
Peak:m/z	Relative Intensity
50.62444	0.2
59.01265	0.8
67.86913	0.3
69.35960	2.3
71.01250	0.3
80.85630	0.3
109.42299	0.3
119.64507	0.3
471.34927	100.0
472.35291	19.2
472.42230	0.5
489.66376	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92437	1.0
57.03331	2.9
59.01269	9.8
61.98718	1.2
65.00193	1.7
67.01759	2.3
67.48311	1.1
69.03333	4.0
70.60908	2.7
71.01273	5.6
72.99193	2.1
81.03346	1.8
83.01271	9.7
85.02847	6.8
87.00777	3.0
89.02321	1.9
93.03374	2.0
95.01286	7.7
97.02850	4.0
99.00759	2.5
101.02359	2.6
107.01296	4.6
109.02876	11.2
111.00070	1.8
111.00798	28.5
113.02356	9.6
116.35837	1.1
117.03357	1.1
119.04895	1.6
121.02873	2.9
123.00790	9.9
123.04413	2.8
124.01589	2.1
125.02371	96.6
126.02757	2.1
127.00304	4.1
129.01857	1.2
132.02084	2.4
133.02856	2.3
135.04451	3.4
137.02385	13.1
137.99303	1.0
139.00307	36.4
139.03947	2.7
140.00986	2.5
141.01875	7.5
145.02879	5.3
146.03662	2.2
147.04407	4.1
149.02385	8.0
150.03183	6.2
151.00317	3.1
151.03951	3.3
153.01872	10.3
154.99783	8.2
157.01401	14.2
159.04478	4.0
161.02415	5.4
161.06027	3.4
162.03023	1.0
162.96167	1.1
163.00316	2.5
163.03929	3.0
164.01024	1.3
165.01872	3.5
166.99791	10.0
167.03416	3.0
168.00519	2.6
169.01387	100.0
170.01688	3.0
171.04507	2.3
173.02422	1.7
173.06004	2.2
173.10794	1.1
174.03168	1.6
175.03973	8.2
176.01099	5.5
177.01898	5.5
179.03355	1.4
182.99307	6.5
183.04459	2.0
185.00877	4.4
185.02356	1.3
185.06009	3.1
187.03976	4.1
189.01849	2.1
189.05573	2.0
191.03516	2.4
197.06201	1.5
199.03947	3.1
201.00432	7.2
201.01970	1.5
201.05557	2.5
203.03526	2.0
203.06985	3.1
205.04889	1.4
211.03987	1.6
212.04779	1.3
213.05559	3.3
214.06178	1.3
215.03488	2.5
216.04099	2.1
217.01483	1.5
217.05078	7.5
218.05356	1.2
227.03322	1.5
227.07021	1.4
229.05190	2.1
231.06613	1.8
233.04530	1.4
240.04214	1.2
241.05066	5.6
242.05803	2.4
243.03030	1.7
245.04520	1.2
245.08224	1.4
253.05106	2.2
257.04584	3.4
259.06165	3.9
271.06204	10.5
273.04007	1.7
275.02069	1.9
275.05695	1.2
277.07217	2.3
285.04102	10.8
286.04651	3.4
287.05515	2.0
289.07333	5.6
300.99960	4.1
303.05203	15.0
304.05417	1.9
305.06613	3.1
321.06158	12.0
411.07635	1.1
455.06393	5.8
456.06528	1.5
473.08008	5.3
473.16196	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	471.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07505	0.2
57.03340	11.3
59.01264	3.1
61.98722	0.6
65.88138	0.2
67.01782	0.3
71.01274	1.2
71.57023	0.3
81.03381	1.3
83.01281	3.5
83.90097	0.3
85.02869	0.5
89.02371	0.5
93.03362	0.6
95.01321	0.3
95.04938	1.2
96.70761	0.2
97.02877	0.4
101.02359	0.5
105.03382	4.2
107.01278	0.6
109.02877	1.0
111.00760	0.3
113.02370	0.6
119.04962	0.3
119.94492	0.2
121.02884	0.7
122.13908	0.2
123.00771	1.3
123.04464	0.4
123.30967	0.2
124.01570	0.5
125.02370	100.0
126.02718	3.1
128.95602	0.2
132.02089	0.5
133.02844	1.2
135.04482	0.4
137.02377	7.2
139.00313	1.1
139.03963	1.1
139.11174	0.3
140.00992	0.4
141.01924	0.5
145.02917	0.4
145.06598	0.3
147.04437	0.7
149.02393	1.2
151.00296	0.9
151.03955	0.7
159.04433	0.3
160.01501	0.3
161.02394	39.1
162.02744	2.7
163.03961	0.4
164.01134	0.3
165.01886	0.6
166.02675	0.8
167.03467	0.8
168.00571	0.5
169.01399	2.4
175.03943	0.6
177.05525	3.9
179.03474	0.5
183.04520	0.3
185.02422	0.4
197.06044	0.4
199.03908	0.3
201.01891	0.4
201.05531	1.2
211.02481	0.4
219.06651	1.1
225.05589	0.9
227.03563	0.5
229.01469	0.6
243.06667	1.3
244.00168	0.3
269.04700	2.6
270.05081	0.3
287.05682	8.9
288.06104	0.5
289.07321	0.8
297.03915	0.3
305.06729	4.1
306.06924	0.4
375.59299	0.3
409.46988	0.3
471.18890	8.0
471.25717	0.5
471.35034	0.5
472.19235	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55043	0.5
59.01268	100.0
60.01624	0.6
61.98716	2.8
71.01273	6.5
73.02859	1.3
83.01273	0.9
85.02855	2.3
89.02335	4.1
98.19733	1.2
99.00764	0.7
101.02340	4.8
113.02363	2.7
118.76273	0.6
119.03468	1.3
125.02385	0.7
125.09695	1.3
161.04512	3.0
179.05630	1.2
187.09853	0.7
197.11920	0.7
209.11833	1.0
211.89565	0.6
278.19354	0.6
291.20062	1.1
301.00024	0.8
309.20749	1.4
310.21341	1.0
411.23895	3.8
471.20673	1.0
471.26483	2.6
471.35080	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	471.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.4
57.46741	0.3
58.00487	0.4
58.33297	0.3
59.01268	100.0
60.01608	0.9
61.98718	1.1
69.37538	2.8
71.01272	8.8
73.02825	1.7
83.01286	0.8
85.02841	2.5
89.02345	6.0
89.39301	0.3
95.01284	0.8
98.19791	0.5
99.00809	0.7
101.02350	5.9
113.02357	4.5
117.43103	0.3
119.03435	3.2
125.02407	0.9
131.03488	0.4
138.99344	0.5
143.03439	0.7
149.04520	0.4
156.14972	0.3
159.02977	1.1
161.04518	5.0
169.01358	0.5
179.05568	1.7
191.70880	0.3
196.99446	0.4
202.54900	0.4
249.18683	0.5
291.19916	0.4
309.20920	0.7
347.18115	0.3
411.24054	6.6
412.24283	0.9
471.35028	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	471.3492
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
51.70830	0.2
52.14653	0.2
53.53450	0.2
59.01269	36.8
59.53419	0.2
59.66999	0.2
60.74403	0.2
62.13629	0.2
69.42004	2.1
83.04930	1.4
87.00774	1.6
98.20540	0.4
99.47692	0.2
121.06528	0.4
154.13037	0.2
165.12807	0.8
175.11270	0.2
191.14424	0.7
205.66602	0.3
226.65755	0.2
233.18864	0.2
393.32016	0.3
453.34225	0.3
471.34909	100.0
472.35251	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	471.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47686	0.2
57.03353	0.2
59.01263	3.4
61.27141	0.2
61.98712	1.2
63.18039	0.2
63.51032	0.2
70.49197	0.4
71.01268	1.6
73.02845	0.3
83.01279	0.3
85.02847	0.7
89.02334	0.7
93.03354	0.7
95.01327	0.2
95.04941	0.2
95.05605	0.2
96.60768	0.2
97.02813	0.2
101.02351	1.0
107.01260	0.2
109.02882	0.8
113.02378	0.7
117.03379	25.5
118.03706	0.8
119.04942	14.0
120.05297	0.5
121.02900	0.4
123.04440	0.8
125.02370	1.4
131.04915	0.3
132.05728	0.4
133.06529	1.4
137.02364	0.7
145.02887	100.0
146.03232	5.0
149.02373	0.2
151.03958	0.5
159.04445	1.4
161.02350	0.2
161.06023	4.0
163.03961	15.0
164.04318	0.7
165.01926	0.4
169.01453	0.6
169.85387	0.2
175.03928	0.4
177.01881	0.7
177.05516	1.3
187.03990	4.8
189.01901	1.9
190.02623	0.5
191.03529	0.4
203.07065	0.4
205.05058	3.5
207.44238	0.2
217.01523	1.0
217.05077	0.6
219.03004	0.5
229.04982	0.4
231.02991	0.6
235.06139	2.5
245.08188	0.5
247.05925	0.2
247.17078	0.5
249.14957	1.4
265.07236	4.2
266.07578	0.6
271.06161	0.5
289.07245	2.6
290.07657	0.2
307.08289	11.5
308.08578	1.0
309.17203	0.6
325.09344	1.8
341.06772	2.7
342.07150	0.2
351.08640	0.4
371.21039	0.2
381.10071	0.3
394.50745	0.2
411.10809	1.3
435.10892	3.3
435.16370	0.4
436.11050	0.3
471.13055	9.0
471.19922	0.4
471.22720	0.5
471.35068	0.5
472.13403	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03052	0.7
57.03337	13.4
58.00468	0.9
59.00992	1.1
59.01267	16.0
61.98716	8.3
69.03341	2.0
69.41032	6.1
71.01270	6.0
72.99164	0.7
73.02833	2.4
78.95792	2.0
81.03355	3.7
83.01275	8.4
85.02839	2.3
88.98696	0.6
89.02337	3.4
93.03368	2.1
95.01265	1.6
95.04922	3.2
96.95911	2.8
96.96838	3.2
97.02853	2.2
98.19801	1.4
101.02348	2.5
104.67158	0.7
105.03379	1.2
107.01310	1.2
108.02070	1.7
109.02863	12.3
109.06495	1.8
110.99012	1.6
111.00787	4.0
113.02374	2.0
117.03372	1.0
119.03429	1.0
119.04945	1.2
120.99582	12.6
121.02908	1.4
123.00786	2.0
123.04437	4.5
123.99799	2.4
125.02367	100.0
126.02700	3.2
133.02896	1.0
135.04454	3.0
137.02377	69.6
137.09645	3.5
138.02707	2.7
139.03955	1.4
139.11211	0.8
140.01007	0.9
145.02887	22.5
145.04077	1.1
146.03706	3.2
149.02385	7.2
150.03174	0.8
151.00400	1.3
151.03908	3.4
151.07578	1.0
151.99326	6.8
153.01907	1.0
155.10724	33.4
156.11075	2.7
157.06569	1.2
158.03682	0.7
159.04462	9.7
160.05232	1.1
161.02362	3.5
161.04672	0.9
161.06004	7.6
163.04030	1.6
164.01111	1.4
165.01857	2.0
168.00597	2.0
169.01370	6.8
173.05884	0.7
175.03896	0.9
175.07576	0.7
179.03481	2.0
181.06674	1.0
181.12431	1.0
183.04520	2.8
184.05203	1.0
185.06049	6.0
187.03979	3.5
188.04694	1.8
191.14420	1.1
199.07843	1.0
199.09735	29.2
199.11618	1.4
200.10065	1.5
201.05540	4.2
203.07137	11.4
205.05066	2.3
206.48343	0.8
209.05887	1.4
211.02454	5.4
211.04126	1.6
212.04762	0.7
213.01910	1.0
221.08290	1.1
223.13490	0.6
224.31825	0.7
225.05603	1.8
227.07184	4.8
229.05150	2.6
230.02203	1.5
233.15459	0.7
237.11346	1.0
243.04855	23.0
244.05199	1.1
245.08263	5.2
249.15041	2.0
253.05075	12.6
254.05571	1.4
256.04019	0.7
271.06375	43.1
272.06674	4.1
287.05655	1.1
289.07263	34.2
290.07690	2.5
291.19772	1.0
309.13455	6.2
309.20944	1.2
310.13815	0.7
318.60428	0.9
321.13477	16.2
321.16983	1.0
322.13882	1.4
331.06635	3.4
333.13586	2.3
343.15573	0.8
394.60703	0.8
395.09839	0.9
427.17706	9.2
428.18060	1.1
471.16974	27.9
471.26199	9.0
471.34824	3.0
472.16934	3.6
472.26404	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.7
55.24225	0.4
57.03328	0.9
59.01266	26.7
61.98719	2.9
66.39030	0.5
67.01797	0.5
68.01295	0.5
69.59060	2.5
69.59472	0.7
71.01270	8.7
72.99188	0.9
73.02851	2.1
75.00763	0.7
77.31057	0.4
78.95798	8.0
79.95630	5.5
81.95222	0.5
83.01280	1.8
83.02410	0.8
85.02837	3.4
86.00006	0.9
87.00784	2.4
89.02335	5.2
90.03394	0.9
93.03322	0.5
93.38594	0.4
94.02904	2.6
95.01298	1.4
96.95916	100.0
96.96837	17.2
97.02841	1.0
97.52193	0.5
97.95845	3.7
98.02380	37.9
98.20650	0.4
98.95500	11.2
98.96301	1.5
99.00779	4.2
99.01894	5.7
99.02621	0.6
99.02721	0.5
99.04440	0.5
101.02360	6.3
105.78331	0.4
106.02921	0.5
107.01337	1.0
109.02837	0.8
110.02390	9.5
110.97505	0.5
111.00788	1.7
113.02377	4.3
119.03404	2.1
121.72451	0.5
122.02405	1.6
123.00803	4.5
125.02375	6.6
127.00264	0.7
129.01799	0.4
134.02412	1.3
136.03961	0.6
136.98766	0.6
137.02379	1.8
138.01820	0.5
139.00322	1.6
140.01088	1.2
140.03471	1.1
141.01891	1.5
143.03453	0.8
151.00357	3.2
152.03487	1.5
153.01881	0.5
159.02948	1.5
161.04532	3.0
163.03874	0.5
164.03470	1.6
168.00609	1.5
169.01389	6.3
175.00392	0.8
178.99840	0.8
179.05559	2.2
182.04681	0.8
193.01402	3.6
200.05568	0.6
209.15419	0.6
219.13893	0.7
229.01503	0.5
248.16582	0.8
271.04434	0.8
301.00104	0.6
301.03375	0.5
302.17682	0.5
313.05777	0.4
315.08582	0.6
319.04767	1.3
330.10815	1.0
345.13077	1.9
374.20303	0.5
383.20892	5.2
410.21838	4.5
435.13052	0.7
470.12164	29.8
470.17697	2.1
471.12091	5.7
471.18884	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23601	0.1
59.01271	0.2
71.04924	0.8
71.56890	0.2
72.99777	0.1
75.80004	0.1
90.32907	0.1
95.04906	0.4
97.22943	0.2
98.20226	0.2
105.22160	0.2
111.04348	0.1
119.52323	0.1
135.08023	0.2
148.98978	0.1
168.19691	0.2
405.31622	1.0
469.33319	100.0
470.33658	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	469.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77385	0.2
59.00994	0.2
59.01267	3.4
61.98723	0.3
71.01269	1.8
71.56916	0.3
73.02857	0.4
78.95795	8.8
79.95627	5.0
83.01273	0.4
83.02404	0.4
85.02837	0.6
89.02328	0.9
94.02872	0.3
95.01274	0.3
96.95918	100.0
96.96835	19.1
97.95837	0.3
98.02380	4.2
99.00785	0.3
101.02348	1.1
109.02810	0.2
110.02396	1.0
110.97490	0.5
111.00784	0.2
113.02372	0.8
119.03448	0.5
123.00804	0.5
123.71429	0.2
125.02374	1.1
127.00291	0.7
131.03448	0.2
137.02342	0.2
140.01132	0.2
150.99226	0.2
151.00313	0.4
159.02869	0.2
161.04492	0.4
163.00343	0.2
164.03484	0.2
167.03448	0.2
169.01393	1.3
211.02448	0.4
235.08301	0.2
245.01044	0.3
263.07803	0.2
270.09039	0.2
271.04688	0.2
277.16687	0.3
299.09381	0.3
301.00082	0.2
314.08115	0.6
329.10327	0.8
344.12759	1.2
383.20920	0.6
409.20789	1.1
410.21786	0.7
469.11807	19.7
469.17395	1.9
470.12134	2.6
470.17773	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1184
Annotation	Shogasulfonic acid D
Peak:m/z	Relative Intensity
57.03318	0.2
59.01264	2.0
61.98709	0.3
66.91557	0.2
71.01283	1.0
73.02837	0.2
78.95796	7.8
79.95630	5.6
83.01275	0.3
85.02845	0.4
87.00771	0.2
89.02349	0.8
95.01302	0.2
95.95116	0.2
96.95917	100.0
96.96830	16.0
97.95847	0.2
98.02374	2.9
101.02363	0.8
107.01337	0.3
109.02843	0.2
110.02373	0.8
110.97485	0.4
111.00785	0.4
113.02361	0.5
119.03403	0.4
123.00816	0.4
125.02381	0.7
127.00251	0.5
137.02409	0.4
139.00226	0.2
140.01080	0.2
141.01878	0.4
151.00287	0.2
151.03975	0.2
152.01093	0.2
161.04465	0.5
164.03435	0.3
167.03387	0.3
168.00548	0.2
169.01443	0.8
178.99796	0.2
179.01535	0.2
224.06784	0.2
270.08984	0.4
284.07156	0.2
285.11276	0.2
299.09280	0.6
300.99969	0.4
314.08209	0.5
329.10376	1.2
330.10803	0.2
344.12732	1.5
345.13242	0.3
383.20871	0.5
409.20905	0.9
410.22034	0.6
469.11816	25.4
469.16885	1.4
470.12134	3.6
470.17850	0.4
482.14481	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64729	0.4
59.01263	17.7
60.01602	2.7
61.01689	3.3
61.98718	100.0
65.00199	0.7
67.01802	0.8
69.03342	1.5
71.01289	1.8
71.59859	0.6
71.60268	0.6
73.41519	0.5
78.95795	0.8
81.22324	0.6
85.02834	0.6
89.02364	2.1
95.01292	1.2
96.01688	0.6
97.02844	1.1
98.03166	0.5
107.01300	4.6
108.01590	0.9
109.02911	2.8
110.03201	0.9
111.00797	1.4
123.00784	2.9
123.32690	0.6
124.01577	0.5
125.02375	33.1
126.02722	7.0
137.02399	0.6
139.00351	1.5
140.01117	1.2
145.02885	0.9
147.04417	0.5
151.00348	1.3
152.01106	3.2
153.01804	2.9
154.02289	1.0
154.99838	0.8
157.02942	0.6
161.02411	1.0
163.04022	0.8
165.01894	6.0
166.99893	1.5
168.00604	1.6
169.01387	47.0
170.01733	10.4
171.01888	1.0
177.01912	0.6
179.03522	1.3
179.05659	0.6
180.04311	2.8
185.02454	1.2
189.01932	1.0
191.03459	0.9
195.06596	5.3
203.03513	0.9
204.03848	0.7
211.02454	0.7
216.00688	0.8
216.93951	0.5
217.01250	1.0
219.03105	1.0
225.07683	1.8
229.01411	1.8
230.02013	1.3
231.03078	0.7
242.99431	0.6
245.01022	2.0
246.01398	0.7
247.02644	0.9
248.03296	0.7
249.03981	0.9
257.01123	1.7
258.01578	1.0
273.00574	1.6
274.01230	1.7
275.02008	5.0
276.02402	1.3
283.99741	1.1
285.00391	0.6
299.99197	4.4
300.99945	30.9
302.00317	16.4
303.00415	3.6
314.06131	0.8
315.07568	1.1
316.07651	2.2
369.15762	0.5
382.52869	0.8
408.22351	0.8
421.15192	1.1
424.10065	1.8
463.05203	0.6
464.05981	1.0
468.08578	10.9
469.09518	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	468.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03356	0.6
59.01267	20.9
60.01611	2.9
61.01688	4.2
61.98718	100.0
69.03349	3.7
70.03706	0.7
71.01276	2.5
79.01796	0.9
81.03371	0.8
85.02879	0.9
87.00782	0.8
89.02353	2.0
95.01303	1.8
95.17598	0.6
96.95904	0.6
97.02861	2.5
98.20164	4.3
99.26055	0.6
101.02328	1.3
107.01295	6.3
108.02139	1.3
109.02878	2.3
110.03207	1.0
111.00771	1.3
113.02348	1.6
117.03336	0.8
119.03449	0.7
121.02873	1.0
123.00806	5.0
123.04422	0.8
124.01655	0.7
125.02370	63.4
126.02699	12.6
127.02795	0.7
133.02878	0.6
137.02420	1.5
139.00310	2.0
140.01036	0.9
145.02919	2.2
147.04510	1.2
148.75633	0.6
151.00319	1.8
152.01111	2.8
153.01929	3.0
153.09048	0.6
154.02238	1.6
155.03415	0.6
157.02885	0.8
159.04463	0.8
160.01506	0.9
161.02380	1.9
163.00354	1.2
163.03941	1.7
165.01860	5.4
166.99852	2.4
167.10736	0.6
168.00586	1.7
168.11061	0.7
169.01384	93.7
170.01724	22.8
170.03214	0.6
171.01878	2.6
173.02415	2.2
174.02802	0.7
175.00534	0.9
175.04051	0.9
177.01868	1.0
179.03444	1.0
180.04239	3.1
185.02467	1.8
189.01912	1.8
190.02679	0.8
191.03357	1.6
192.03848	0.6
195.06635	7.3
200.01102	0.8
201.01942	3.5
202.02354	0.9
203.03482	1.9
204.03853	1.1
205.01413	0.9
213.01997	0.7
216.00676	0.9
217.01369	1.9
218.01917	1.3
219.02827	0.9
225.07773	2.0
229.01440	5.4
230.01802	1.9
231.02940	1.8
245.00896	3.0
246.01443	1.2
247.02628	0.6
248.03218	0.8
249.04088	2.5
250.04404	1.1
251.04634	0.6
257.00919	3.4
258.01480	2.0
259.01816	0.7
270.98874	1.0
271.99542	1.1
273.00409	2.5
274.01059	2.5
275.02005	9.4
276.02335	4.0
277.02539	1.0
283.99643	2.4
285.00098	1.2
289.00076	0.7
291.01501	1.1
299.99219	7.7
300.99948	63.7
302.00299	31.0
303.00488	5.8
313.05746	1.1
314.06122	1.0
315.01575	0.9
315.07120	0.8
316.07642	1.9
316.99448	1.3
382.52628	1.3
383.02899	0.6
407.22049	0.8
408.22375	1.4
421.15225	1.2
424.09753	1.6
463.05200	1.8
464.05740	2.1
467.53683	1.5
468.08603	10.7
469.08600	1.4
469.14517	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37725	0.2
59.01266	2.6
61.98719	100.0
70.16064	1.1
71.01279	0.8
73.02853	0.2
84.23560	0.2
85.02876	0.3
89.02353	0.2
95.01275	0.3
97.02831	0.4
98.19859	0.3
99.00755	0.3
101.02357	0.5
107.01321	0.6
109.02923	0.3
110.00037	0.3
113.02309	0.3
119.03497	0.2
123.00820	1.0
125.02386	3.0
126.02673	0.4
137.02341	0.4
139.00319	0.2
145.02907	0.7
151.00345	0.5
151.07611	0.6
159.65736	0.2
159.67015	0.2
161.46115	0.2
163.04086	0.2
168.00604	0.4
169.01389	2.6
170.01730	0.3
189.42270	0.2
203.03471	0.2
243.06340	0.3
244.06721	0.3
289.07541	0.3
300.99960	0.9
317.09824	0.6
393.10150	1.1
407.12674	0.3
408.12762	0.5
467.19235	1.1
468.07782	0.5
468.19510	5.5
468.25378	0.3
469.10992	1.3
469.20078	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	5.8
66.39782	2.2
67.01756	2.5
69.03331	2.7
71.04919	5.2
77.65482	2.4
83.04922	67.3
98.20662	4.0
99.04406	6.5
107.04788	2.0
111.08062	7.3
121.06510	26.2
125.02371	27.4
126.03185	13.4
127.03943	81.4
128.04204	2.5
137.06009	2.7
139.03981	2.9
139.07590	100.0
140.07869	4.2
169.01390	6.3
179.44058	2.0
283.26636	2.7
300.99969	8.0
357.30139	20.6
405.33624	3.1
423.34964	78.9
424.35358	14.0
467.07019	3.4
467.32230	31.5
468.32919	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	467.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.7
57.03308	2.8
59.01271	47.1
61.18088	1.2
61.98726	1.1
65.00214	2.7
67.01765	3.3
68.99688	4.2
69.03339	1.7
69.26892	1.2
69.55631	10.2
71.01270	31.3
72.99163	2.7
73.02843	12.3
81.03338	1.4
83.00813	1.6
83.01283	18.5
85.02841	15.7
87.00755	2.9
89.02324	3.5
90.71877	1.1
94.95966	1.2
95.01293	10.1
97.02841	3.0
99.00774	5.2
101.01711	2.2
101.02350	31.6
107.01295	16.2
108.01609	1.4
109.02849	6.5
111.00782	4.7
113.02364	16.0
113.09019	1.0
119.03429	1.1
121.02821	1.5
123.00795	19.6
123.04408	2.4
124.01029	1.6
125.02374	80.2
126.02665	5.6
129.01794	1.2
137.02341	4.0
139.00333	6.1
140.01039	2.8
141.01883	2.1
143.03421	2.3
145.02835	2.1
149.02354	1.9
151.00308	17.8
151.03888	1.8
153.01883	74.3
154.02151	2.9
159.02873	2.4
159.04364	1.4
161.02385	2.5
161.04552	14.4
161.05891	2.7
163.00310	2.0
163.03906	1.7
165.01807	1.6
166.99823	16.0
168.00404	3.8
169.01384	98.0
170.01747	10.5
171.01869	2.1
173.02333	1.9
175.03928	1.9
177.01848	4.8
185.00783	1.8
185.02345	2.0
189.01814	3.5
190.02713	7.0
191.03352	3.2
193.01338	1.4
193.98544	1.3
195.02956	1.5
201.01871	4.4
203.03461	2.5
211.02518	6.0
214.99858	1.5
217.01294	4.6
229.01367	6.0
230.01697	1.4
231.02980	2.9
232.03186	1.4
233.04585	19.3
241.03513	1.6
243.99910	1.4
245.00851	4.5
246.01277	1.4
247.02515	2.8
249.04219	1.5
257.01035	1.4
259.02377	1.7
261.00415	2.0
261.13501	48.1
262.13733	2.5
271.04581	4.8
273.00302	4.1
274.01004	2.6
275.02124	6.2
277.03461	1.8
283.99570	2.1
287.01953	5.1
289.07135	1.3
298.98364	2.3
299.99088	4.8
300.99945	47.5
302.00333	16.3
303.00497	3.1
313.05707	27.6
314.06177	2.3
348.17297	1.6
407.19308	100.0
408.19632	9.9
438.53235	3.8
439.03784	2.0
452.53134	2.3
453.53595	1.6
466.52576	1.7
467.08231	84.0
468.08536	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	467.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.6
57.03338	1.2
58.00470	2.8
59.01265	100.0
60.01604	1.7
69.03352	1.9
69.38515	5.4
71.01268	35.4
72.39999	0.5
72.99184	3.3
73.02834	26.5
75.00790	0.6
81.03342	0.8
83.01279	3.1
85.02843	11.0
85.99969	0.8
87.00773	8.4
87.04409	3.9
89.02339	35.5
95.01310	1.9
97.02872	1.4
99.00791	0.5
99.04420	1.0
101.02348	55.9
103.03909	20.6
107.01359	0.6
113.02368	7.1
115.03926	5.5
117.34055	0.5
119.03428	13.8
120.03700	0.7
123.00798	0.5
125.02355	5.8
127.03926	1.6
127.85033	0.5
131.03419	12.2
135.51826	0.6
139.00346	0.6
143.03442	13.9
145.05008	6.4
157.82097	0.5
160.06389	0.6
161.04506	1.4
161.07156	1.1
163.06068	78.7
164.06378	3.1
169.01448	2.9
177.01807	0.5
179.05563	5.3
179.10895	0.5
189.01964	0.6
189.06660	2.3
205.07159	27.6
206.07452	0.9
235.08179	1.2
261.13412	2.6
265.09381	8.4
266.09583	0.8
300.99936	1.4
305.11441	1.8
307.10257	0.6
310.95297	0.6
323.12421	3.7
325.11389	1.0
357.06537	0.6
407.19284	44.5
408.19611	4.6
449.31702	0.6
460.20471	0.6
467.09552	1.2
467.32718	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.4
57.22267	0.2
59.01266	3.7
61.98716	1.6
67.01773	0.7
68.99692	0.2
69.03341	0.7
71.01270	3.7
72.99191	0.7
73.02834	0.9
78.95776	0.4
79.01785	0.8
81.03340	0.3
83.01270	1.3
85.02849	1.7
87.00742	0.4
89.02340	0.7
91.07021	0.2
95.01281	1.7
96.95896	0.2
97.02850	0.7
99.00802	0.5
99.68790	0.2
101.02353	2.5
107.01298	3.0
108.02112	0.3
109.02856	0.5
110.00006	0.4
111.00792	2.6
113.02354	1.2
119.03436	0.3
123.00801	13.7
123.04417	0.2
124.01598	0.8
125.02365	14.9
126.02710	0.3
127.00292	0.8
136.98764	1.5
137.02399	0.7
139.00290	4.2
140.01094	3.9
141.01874	1.9
145.02905	0.5
151.00313	10.0
151.03848	0.3
151.07562	0.3
152.00620	0.4
153.01878	0.5
154.99823	0.3
160.99113	0.2
161.02411	0.3
161.04471	0.3
163.03981	0.6
165.01878	0.2
166.99820	0.4
167.03432	0.4
168.00597	4.8
169.01378	21.5
170.01718	0.8
175.03941	0.2
187.89836	0.2
201.75603	0.2
203.03426	0.2
211.02467	6.1
223.02510	0.3
241.03632	0.3
271.04602	3.8
275.02020	0.5
289.07220	0.3
299.99268	0.2
300.99973	1.6
302.00266	0.6
313.05783	1.1
407.26706	0.2
410.02631	0.2
452.03473	0.3
467.19293	100.0
468.19647	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	467.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	40.0
58.00470	1.4
59.01264	26.1
61.98723	3.6
69.03372	1.0
69.54349	5.6
71.01270	12.0
72.99210	2.2
73.02833	2.6
75.00753	1.1
78.95786	1.4
81.03340	1.3
83.01299	1.1
85.02862	1.3
87.00766	1.5
89.02329	5.8
92.34945	0.7
95.01286	3.6
97.02845	1.1
98.20510	1.7
99.00761	0.9
99.04420	18.5
101.02345	14.6
106.59884	0.8
107.01320	2.7
108.02086	1.5
109.02847	2.2
111.00806	2.6
113.02325	1.4
117.03427	0.9
119.03437	1.3
123.00794	7.0
125.02372	22.6
126.54413	0.8
136.98793	1.0
137.02382	0.9
137.99474	0.9
138.01915	3.8
139.00293	3.7
140.01076	0.9
141.01865	1.0
143.03378	1.0
145.02878	1.4
145.07635	4.8
147.06529	2.4
149.02393	0.8
151.00293	1.5
152.01067	1.1
153.01912	1.1
154.01447	1.2
160.05183	1.2
160.06372	12.6
161.02429	1.9
161.04510	10.6
161.07152	42.0
162.07448	2.0
163.00371	1.1
163.06003	1.9
164.01038	0.8
165.98962	1.5
166.99821	7.5
168.00615	2.2
169.01387	15.7
170.01672	0.9
171.10194	2.6
173.02292	1.0
173.07315	0.9
173.10802	1.9
175.08730	30.6
176.08998	1.1
177.01920	1.7
179.03514	0.9
185.00946	0.9
185.10791	2.2
187.08798	4.2
188.85481	0.7
189.01906	3.3
189.06673	79.0
190.02606	0.9
190.06996	4.5
191.03467	1.0
198.20949	0.9
201.01949	1.1
201.10352	6.3
203.03471	0.8
203.08244	34.2
203.11789	8.1
204.08495	1.3
205.07324	0.9
211.02562	1.1
217.01385	1.9
217.09886	1.2
229.09871	17.6
233.01080	1.4
245.01018	0.9
247.02512	1.2
271.04532	1.2
273.00537	1.1
275.02026	1.7
277.11935	3.1
288.99866	1.9
300.99930	6.4
305.06360	1.2
305.11493	63.8
306.11865	5.1
323.12546	100.0
324.12823	8.7
365.13525	13.8
366.13882	2.3
382.02710	0.9
392.03784	2.5
393.21631	0.8
395.37787	0.8
405.16751	1.8
407.19379	2.2
458.03497	1.7
467.08267	5.3
467.16046	15.3
468.16281	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30179	0.6
57.03327	2.4
59.01259	3.7
60.95115	0.6
61.98708	1.3
67.01764	0.7
69.03336	1.0
70.55538	0.5
71.01289	2.7
71.58453	1.1
73.02838	0.9
75.00772	1.5
81.03336	2.9
83.01276	4.3
85.02844	1.6
87.00832	0.8
89.02328	1.4
90.25408	0.5
92.88628	0.5
93.03370	6.1
95.01291	2.2
95.04932	3.5
96.95939	2.9
96.96870	1.1
97.02852	7.5
99.04404	0.7
99.47202	0.6
101.02348	1.5
107.01283	3.3
108.02132	1.0
109.02868	24.7
110.03198	0.6
111.00808	1.0
111.04445	0.7
113.02365	0.9
113.85446	0.6
114.34674	0.6
117.03378	0.8
119.04958	1.9
121.02893	4.2
122.03661	1.6
123.00795	3.6
123.04449	17.9
125.01447	1.3
125.02371	26.8
126.02716	2.1
133.02864	1.7
133.06519	0.8
135.04460	2.5
137.02374	11.8
138.03076	0.5
139.00314	1.9
139.03931	4.6
141.01883	0.9
141.30145	0.6
145.02875	5.0
146.03667	1.7
147.04466	2.4
147.37958	0.5
149.02406	6.5
150.03146	1.2
151.00360	1.2
151.03947	10.0
152.03421	3.0
153.01854	2.2
153.03815	1.4
159.04434	3.5
160.05241	2.0
161.02359	4.3
161.04698	0.8
161.06042	6.5
162.03148	2.4
163.00252	0.8
163.03940	2.5
164.01106	4.2
165.01892	5.7
165.05412	0.7
166.99818	1.3
167.03465	4.3
169.01385	16.1
170.01692	3.0
171.01852	1.1
173.02388	1.2
173.06052	1.1
174.03235	1.4
175.03970	3.7
175.07574	2.2
177.01920	9.3
177.05501	3.7
179.03473	5.7
185.06044	1.5
187.03996	6.5
188.04767	4.9
189.01909	10.7
190.02574	1.6
191.03435	2.9
193.01389	0.7
194.01466	0.7
199.07523	1.2
201.05495	1.3
202.06326	2.8
203.03470	2.2
203.07123	14.9
204.07487	0.8
205.05051	10.0
210.83009	0.6
212.04756	1.3
216.00635	2.0
217.01428	8.4
217.04947	0.9
218.02046	1.1
219.03023	3.2
221.08180	2.9
227.07164	2.7
229.01570	0.9
229.05054	1.9
231.03084	3.0
233.04532	0.8
233.70180	0.6
241.05165	1.2
245.01012	1.3
245.08229	16.0
247.06187	2.9
255.06680	1.0
269.04498	0.9
271.06192	2.3
273.00436	1.9
275.01984	1.2
281.04498	1.4
282.05252	0.8
283.06165	1.1
284.06406	0.7
289.07263	100.0
290.07611	7.6
297.07602	1.3
299.05618	0.8
299.99295	0.7
300.99982	5.4
302.00406	1.3
303.01559	0.7
303.05060	0.9
305.06760	1.4
311.05856	1.1
313.05923	2.1
314.05997	2.8
315.06122	1.6
341.06747	34.1
342.07083	2.9
343.01010	2.2
357.06335	6.2
366.11060	0.6
373.09375	6.4
409.02188	0.6
410.02814	2.3
435.10901	11.0
436.11319	1.7
452.04004	2.8
467.05991	18.9
467.15024	1.2
467.28250	1.1
468.06985	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	467.084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28178	0.4
59.01249	1.3
59.76395	0.4
60.91524	0.4
65.00191	0.5
67.01752	0.9
68.95323	0.4
69.03329	1.9
69.82055	2.6
71.01276	3.9
72.83359	0.4
72.99196	0.6
73.02803	0.9
76.36826	0.4
79.01773	1.0
79.54105	0.5
81.03334	1.1
83.01251	0.6
85.02843	3.3
95.01273	2.4
96.95910	0.6
96.99131	0.4
97.02831	2.1
99.00731	0.8
101.02319	1.8
107.01295	6.8
108.02081	29.0
109.02882	11.9
111.00744	1.9
113.02363	2.1
119.04924	0.8
121.02835	0.8
122.99905	0.8
123.00790	13.7
123.04465	2.8
124.01556	0.8
125.02368	40.5
126.02675	1.9
127.00237	0.7
135.00766	1.3
135.04350	0.6
136.98718	1.2
137.02325	0.5
139.00313	4.0
140.01079	2.1
141.01813	1.5
145.02885	0.7
150.99132	0.7
151.00304	9.9
151.03871	1.3
152.01094	40.0
153.01881	11.6
153.05508	3.9
163.03909	2.0
165.01845	1.3
166.99744	1.4
167.03384	0.7
168.00569	4.6
169.01379	57.8
170.01762	2.5
173.04471	1.5
191.05484	1.1
193.98540	5.6
194.99219	1.8
195.02869	0.6
201.01857	0.8
211.02417	1.4
219.02898	0.6
223.02501	0.5
225.04015	0.4
229.01270	0.8
241.03424	1.0
243.03062	0.6
253.03517	0.8
257.00900	0.5
271.04581	0.5
275.01904	2.0
297.06107	1.3
299.98975	0.6
300.99954	8.7
302.00183	2.2
303.00555	0.5
313.02295	0.8
313.05731	12.2
314.06021	1.0
315.07315	17.3
316.07501	1.2
337.09290	0.9
419.97214	0.5
423.09399	19.9
424.09589	2.6
449.07245	2.6
467.08221	100.0
468.08591	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	467.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.3
59.01254	1.5
67.01778	0.6
69.03333	1.1
71.01281	2.6
71.07327	0.8
72.99200	0.6
73.02829	0.7
79.01781	1.0
81.03333	0.6
83.01263	0.7
85.02840	2.3
87.00787	0.6
95.01281	2.4
96.95884	0.9
97.02842	1.5
101.02356	1.6
107.01296	4.9
107.04914	0.3
108.02081	21.3
108.18520	0.3
109.02874	15.3
110.00039	0.3
110.03209	0.5
111.00785	1.4
113.02348	1.6
120.99609	0.4
121.02863	0.6
123.00797	9.4
123.04429	1.1
124.01646	0.8
124.99078	2.6
125.02370	29.9
126.02706	1.2
127.00269	0.7
130.13986	0.3
135.00821	0.9
136.98779	0.7
137.02380	1.1
139.00302	2.8
140.01117	1.7
141.01845	1.5
145.02847	0.6
147.04402	0.4
149.02364	0.4
151.00319	5.8
151.03958	1.2
152.01099	28.8
153.01892	13.7
157.02861	0.4
161.02356	0.4
162.24774	0.3
163.03931	0.9
165.01875	1.1
166.99805	0.6
167.03412	0.7
168.00592	3.4
169.01385	39.9
170.01732	2.0
173.02454	0.4
175.03935	0.6
177.01872	0.9
179.03427	0.8
185.02461	0.5
187.04002	0.6
189.01891	0.5
193.01463	0.6
193.98553	5.0
194.99283	1.6
195.02844	0.4
199.03978	0.3
201.01910	0.5
203.03511	0.6
211.02426	1.1
213.01891	0.4
217.01418	1.1
219.03008	0.5
223.02452	0.3
229.01392	0.8
231.02974	0.8
241.03769	0.4
245.01016	2.5
246.01677	0.5
247.02516	0.6
249.04185	0.4
253.03607	0.5
257.01013	1.7
259.02496	0.8
261.04105	0.4
271.04794	0.4
275.02023	1.5
287.02148	0.6
297.06281	0.6
299.99249	1.2
301.00000	8.1
302.00266	1.6
305.06711	1.3
313.05731	8.2
314.06134	0.5
315.01462	1.3
315.07303	16.5
316.07596	0.9
334.41556	0.3
408.07230	0.3
423.09445	18.2
424.09946	2.2
449.07507	1.8
467.08383	100.0
468.08774	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	466.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91922	0.2
50.94019	0.2
59.01263	2.5
61.27995	0.2
61.98719	0.6
67.01768	0.6
68.99712	0.3
69.03346	0.6
71.01272	3.0
71.06290	0.4
71.48621	0.2
71.97178	0.2
72.99207	0.4
73.02854	0.5
76.96729	0.2
79.01794	0.6
83.01286	0.5
84.77083	0.2
85.02862	1.1
87.00790	0.2
89.02337	0.3
93.03347	0.2
95.01287	1.0
96.95942	0.3
97.02855	0.8
99.00777	0.2
101.02348	1.3
107.01300	5.3
108.01633	0.3
109.02881	0.3
111.00794	0.6
113.02364	0.8
117.03370	0.2
121.02866	0.3
122.03658	11.9
123.00807	5.1
123.03998	0.3
124.01637	0.7
125.02372	33.6
126.02699	1.2
127.00293	0.5
133.02898	0.2
135.04411	0.2
136.03963	0.2
136.98764	0.7
137.02386	0.6
138.03226	0.2
139.00320	1.8
139.03972	0.5
140.01089	1.2
141.01900	1.0
145.02910	0.3
149.02371	0.2
151.00319	4.8
151.04021	0.3
152.03479	100.0
153.01892	0.4
153.03833	3.5
155.11702	0.2
161.02362	0.4
161.04565	0.3
163.03966	0.4
165.01866	0.3
166.99852	0.5
167.03452	0.3
168.00620	1.9
169.01384	47.1
170.01727	1.9
175.03954	0.2
177.02065	0.2
179.03426	0.4
191.03548	0.3
193.01395	0.5
201.01936	0.2
206.04904	0.2
211.02495	1.9
223.02425	0.3
241.03583	1.2
253.03561	0.5
271.04700	0.7
275.02002	0.4
289.07291	0.5
301.00058	1.3
313.05731	59.4
314.06088	4.1
314.09531	0.3
343.01111	0.4
376.11688	0.2
409.02133	0.3
410.02902	0.3
452.03787	0.4
466.10019	42.0
467.05313	1.1
467.11279	4.3
482.04700	0.2
491.41983	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	7.3
57.23305	0.9
58.00496	1.6
59.01265	100.0
61.98717	2.4
65.00217	2.2
67.01765	1.7
68.81071	0.9
69.95407	5.3
71.01273	30.0
72.99204	2.8
73.02851	1.7
73.23177	1.0
83.01280	1.5
83.04913	1.5
85.02843	8.5
87.00779	3.1
88.03800	1.1
89.02342	38.6
95.01289	8.1
99.00761	1.2
101.02345	17.0
107.01302	6.9
108.02074	1.2
109.02850	2.4
111.00811	1.3
112.05212	1.2
113.02350	15.6
119.03428	19.1
123.00819	13.2
123.04430	2.6
125.02372	53.0
126.02713	1.2
131.03429	1.4
134.07317	1.6
137.02383	4.0
139.00340	2.0
139.03990	1.9
141.01949	1.2
143.03448	4.4
145.02884	2.2
148.01662	1.0
149.02371	3.9
149.09659	20.8
150.09953	1.6
151.00305	10.4
151.03975	1.5
152.01062	1.4
153.01895	10.7
161.04436	6.8
163.04022	1.1
164.01196	1.1
165.01917	1.5
166.02652	1.1
166.99759	7.6
167.10742	37.2
168.00513	2.3
168.11066	1.2
169.01382	24.4
171.10222	1.0
175.03972	5.3
177.01933	6.4
178.99870	5.2
179.05608	13.7
181.01395	4.8
187.00410	1.4
189.01901	1.5
189.05511	1.8
191.03375	1.9
195.03036	1.3
199.03989	1.4
201.01839	2.3
203.03484	1.7
207.13858	1.2
214.99837	2.6
217.01392	1.8
217.05040	2.6
220.64516	1.3
221.04250	1.1
225.14981	7.8
229.01489	2.3
241.05153	2.8
242.99324	1.3
243.16010	2.8
245.00957	2.0
247.02684	1.8
257.01089	1.7
259.06107	1.4
264.63889	1.0
270.98938	1.8
273.00571	3.0
274.01144	1.6
275.02106	3.4
275.05698	7.1
285.04077	20.4
286.04489	1.5
298.98416	1.8
299.05515	2.4
299.99139	3.1
300.99979	23.6
303.05145	28.8
304.05350	2.0
313.05774	1.2
337.02243	1.2
341.05148	2.5
343.06204	1.2
403.12686	2.2
405.21408	61.3
406.21729	6.9
438.03375	1.9
447.09332	1.2
452.03342	2.9
465.06317	2.9
465.11047	1.9
466.02707	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34042	0.2
57.03335	0.9
58.00478	0.7
58.81034	0.2
59.01264	100.0
60.01599	1.1
69.93467	0.6
69.93858	0.5
71.01270	7.3
71.65168	0.2
72.99203	0.4
83.04951	0.2
85.02824	1.3
85.20426	0.2
87.00797	0.4
89.02337	9.7
95.01304	0.6
101.02339	4.4
105.52190	0.2
113.02357	3.2
119.03409	4.7
123.00866	0.3
125.02381	0.4
131.03462	0.3
135.08125	0.2
139.00131	0.2
143.03467	1.1
149.04518	0.3
149.09682	2.0
153.09174	0.9
161.04500	1.8
167.10744	4.2
169.01430	0.6
169.94907	0.3
179.05592	3.3
179.06981	0.3
225.15042	0.5
243.16188	0.6
262.26233	0.2
300.99957	0.5
303.05154	0.2
372.80194	0.3
405.21384	5.1
405.26419	0.4
406.21805	0.7
465.23553	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92443	0.2
54.90523	0.2
54.92314	0.2
57.03339	0.7
58.00481	0.4
59.01266	100.0
60.01605	1.0
69.24087	0.2
70.87327	0.3
70.87651	0.2
71.01271	6.2
72.99221	0.4
73.02850	0.2
83.01284	0.3
84.06662	0.2
85.02856	0.7
87.00792	0.8
89.02341	10.8
90.02693	0.2
95.01289	0.9
101.02348	4.6
107.01319	0.2
109.02918	0.2
113.02361	3.8
113.35510	0.2
119.03423	6.8
119.04241	0.4
123.00831	0.6
125.02372	2.0
131.03450	0.7
137.02379	0.2
143.03464	1.9
149.04558	0.7
151.00369	0.3
153.01910	0.3
161.04497	2.5
166.99846	0.7
167.10771	0.5
169.01355	1.6
175.04060	0.2
178.99925	0.2
179.05579	5.5
180.05975	0.2
182.86925	0.2
203.03459	0.2
217.01534	0.2
233.98700	0.2
245.00998	0.3
273.00525	0.3
275.02213	0.4
275.05731	0.2
285.04260	0.5
300.99951	2.0
303.05219	1.1
375.45908	0.2
405.21408	6.9
406.21671	0.9
449.20581	0.7
465.23486	1.8
466.24319	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	2.0
58.00474	3.0
59.01269	81.0
60.01597	0.9
61.98714	6.0
65.00198	1.5
67.01774	1.7
67.79893	1.0
71.00896	2.2
71.01275	39.9
72.01608	1.2
72.99188	3.9
73.02847	2.1
79.01805	1.4
83.01304	2.6
85.02851	7.0
87.00773	3.4
89.02340	48.3
90.02675	1.1
93.03364	2.3
95.01292	10.0
96.01633	1.1
97.02837	1.7
98.20554	2.8
99.00801	1.4
99.04406	2.5
101.02348	24.7
102.02702	1.1
103.34602	1.0
107.01283	8.3
107.04947	1.4
108.02092	1.5
109.02872	1.6
111.00767	3.0
113.02354	17.4
119.03430	18.5
121.02843	1.2
123.00808	26.4
123.04470	1.6
125.02374	47.8
131.03415	3.1
133.02858	2.0
137.02350	3.7
139.00313	5.5
140.01111	2.3
141.01837	2.3
143.03433	4.3
145.02895	3.4
145.05008	5.1
147.04405	1.3
149.02353	3.3
149.04515	1.9
149.31091	1.0
151.00291	5.9
151.03940	5.0
152.01062	3.0
153.01859	5.0
159.02957	1.0
161.02356	3.0
161.04492	6.8
163.00276	1.7
163.03949	1.9
163.11234	1.4
165.01877	1.5
166.99820	13.4
168.00504	5.1
169.01395	50.0
170.01688	2.1
173.02458	1.9
173.04509	1.4
175.03954	2.9
177.01884	5.4
178.99823	2.5
179.05568	14.2
181.01425	1.8
181.12277	2.9
185.02383	1.5
187.00331	2.8
189.01917	1.6
191.03500	2.7
191.05516	1.1
199.04018	1.4
201.01933	3.1
203.03574	1.2
211.02585	1.2
213.01978	1.3
214.99873	2.8
216.00465	1.6
217.01373	2.7
217.05164	1.5
219.02864	1.1
227.03607	1.4
229.01434	4.7
231.02934	1.4
242.99280	1.1
243.16092	6.0
245.00851	3.2
247.02458	1.4
249.04010	1.4
254.99254	1.2
257.00882	2.8
258.98853	1.6
261.00238	1.4
270.98889	3.8
271.99792	1.0
273.00507	4.3
274.01367	1.1
275.02029	8.5
275.05435	2.3
283.99445	1.2
285.04205	6.9
298.98422	3.2
299.99210	3.6
300.99966	33.5
301.99777	1.2
303.05182	12.0
313.05734	3.2
313.09366	5.4
341.05319	1.2
392.03876	1.1
405.21399	100.0
406.21765	11.6
421.11920	2.2
429.02542	1.1
438.03311	3.7
452.03156	5.5
465.10986	26.6
466.10577	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	465.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.3
57.03334	0.7
58.46638	0.3
59.01266	100.0
60.01611	0.9
60.59093	0.3
61.98731	0.9
67.01794	0.5
69.48458	2.0
69.48866	0.6
71.01269	2.4
72.99222	0.6
73.02856	0.7
75.00788	0.6
78.28053	0.3
81.03371	0.5
81.10409	0.3
82.02897	0.6
83.01289	0.7
83.04908	0.6
85.02873	1.4
87.00785	1.1
89.02357	1.3
93.03383	0.8
94.49685	0.3
95.01307	1.3
97.02846	0.4
98.20563	0.7
99.00808	0.9
101.02365	1.3
107.01274	0.8
109.02872	3.7
110.00110	0.4
111.00798	1.5
111.04446	0.7
112.98782	0.3
113.02359	0.9
115.00321	1.3
119.03467	0.4
119.04969	0.4
121.02895	0.4
121.06490	0.4
123.00795	2.1
123.04424	0.8
124.01649	0.6
124.38312	0.3
125.02380	4.3
133.02867	0.4
137.02359	2.5
138.56781	0.3
139.00362	1.1
139.03937	2.2
143.03508	0.4
145.02927	0.8
147.08133	0.7
149.02380	0.3
149.06090	0.8
150.05608	0.6
151.00308	1.2
151.04025	0.4
151.07759	0.4
153.01973	0.5
162.04910	0.4
163.00327	3.2
163.04013	0.4
164.01102	1.0
165.01828	1.5
166.99861	0.5
168.00621	1.0
169.01355	4.2
175.02461	1.8
177.01944	0.5
178.99866	0.7
181.01532	0.4
183.02986	0.7
187.11298	1.3
190.99919	0.6
194.04648	1.1
199.11304	0.8
201.02057	0.4
205.12411	0.9
208.00136	0.7
209.00981	1.5
211.84062	0.4
217.12318	3.7
225.04166	0.4
226.22652	0.3
229.01527	0.5
235.13364	2.1
271.02466	0.4
271.06528	0.4
275.02115	0.6
279.13943	0.5
283.73541	0.5
285.00677	0.5
289.07227	0.4
291.13995	0.7
293.54779	0.8
297.14874	1.7
300.55478	0.5
300.99979	1.6
301.05728	0.6
302.00226	0.5
309.15009	3.8
310.15601	0.5
314.00864	0.4
315.16327	1.0
317.02875	0.5
318.03156	1.2
323.55887	1.0
327.16000	4.5
328.16681	0.3
347.55914	0.4
355.55496	5.0
356.05707	2.9
356.56100	0.7
377.55313	0.9
378.05115	0.4
387.18259	0.5
405.19171	4.2
412.55310	3.6
413.05710	1.1
413.55466	0.5
465.00931	0.6
465.09058	1.0
465.14133	1.4
465.23102	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1779
Annotation	3',5-Dihydroxy-3,4,4'-trimethoxybibenzyl-5-O-glucoside
Peak:m/z	Relative Intensity
55.01769	0.8
59.01263	4.4
61.98724	3.6
67.01772	1.0
68.99694	0.4
69.03347	0.7
69.35953	1.1
69.36385	2.1
71.01273	6.1
72.99188	0.6
73.02834	1.7
78.95798	0.6
79.01789	0.6
83.01270	1.7
83.04919	2.7
85.02859	2.5
86.03154	0.4
87.00774	0.9
89.02335	0.6
95.01279	2.6
97.02857	1.1
99.00768	0.8
101.02352	2.7
107.01288	4.1
108.02083	0.7
109.02842	1.2
109.99999	0.8
111.00794	3.0
113.02378	2.2
119.04920	0.4
121.02879	0.5
123.00807	15.3
123.04462	1.5
124.01604	1.2
125.02375	19.8
127.00276	1.1
136.98798	2.3
137.02409	0.4
139.00320	5.7
140.01112	5.8
141.01880	2.6
144.29193	0.3
145.02991	0.3
147.04457	0.4
151.00325	10.6
151.03943	0.6
152.00609	0.4
153.01843	0.4
161.02426	0.3
161.04559	0.5
163.03952	0.5
166.99846	0.8
167.03354	0.3
168.00600	7.4
169.01396	32.7
170.01735	1.3
177.01888	1.3
179.03381	0.3
189.01924	2.9
190.02560	0.6
191.03496	1.0
193.01355	0.4
203.03490	0.3
211.02472	0.8
216.00623	0.6
217.01401	3.1
219.03026	0.6
231.02991	0.9
241.03354	0.3
253.03477	0.4
297.06165	2.5
300.99988	1.8
303.12704	0.4
303.16086	1.1
303.19550	0.6
313.05750	4.8
341.06738	5.4
342.07205	0.7
465.17746	100.0
466.11597	0.9
466.18085	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	465.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29993	0.4
55.01784	0.4
57.03326	0.9
58.00478	0.6
59.00993	0.7
59.01265	10.1
60.53337	0.4
61.98707	1.4
65.00193	0.8
66.43864	0.3
66.94728	0.4
67.01767	1.5
68.99678	0.6
69.03345	0.8
71.01269	9.0
71.58645	0.8
72.99164	1.2
73.02841	2.4
75.00780	0.4
75.61488	0.5
78.91758	0.5
78.95780	1.4
79.01762	1.4
81.03361	0.5
83.01295	2.2
83.04897	0.5
85.02845	3.6
87.00762	0.9
89.02335	3.3
95.01275	2.4
97.02859	2.0
99.00768	1.1
101.02343	6.3
105.96037	0.5
107.01299	7.5
109.02831	0.8
109.99966	0.6
111.00782	4.0
113.02342	3.4
119.03398	1.8
120.50316	0.4
123.00804	18.5
124.01556	1.6
125.02370	32.1
126.02705	1.1
127.00287	1.2
136.98727	2.5
137.02345	1.2
137.03323	0.4
139.00314	6.3
139.03860	0.5
140.01085	5.3
141.01871	2.2
143.03384	0.8
145.02847	0.5
149.02385	0.4
151.00313	9.7
151.03925	0.7
151.11183	0.8
153.01828	0.9
160.01678	0.5
161.02390	0.5
161.04497	2.0
163.03979	0.7
165.01929	0.8
166.99782	0.5
167.03427	1.0
168.00613	9.3
169.01384	43.6
170.01773	2.0
177.03976	1.4
179.05534	1.4
189.05554	0.5
209.00818	0.5
211.02473	31.6
212.02789	1.6
235.99188	0.4
241.03572	1.0
271.04648	50.4
272.05048	2.4
273.14990	0.5
275.24637	0.4
297.06183	0.6
300.99979	2.3
303.12482	0.6
303.15970	1.0
313.05759	2.2
316.02621	0.4
317.02509	0.5
318.02728	0.5
331.06653	1.9
333.65567	0.4
365.53937	0.4
405.11951	0.5
452.03265	0.5
465.06995	3.1
465.17700	100.0
466.07178	0.8
466.18094	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	465.1778
Annotation	Plagiochilin D
Peak:m/z	Relative Intensity
50.67467	0.2
54.34287	0.2
55.01786	0.5
57.03341	0.4
59.00991	0.3
59.01268	3.9
61.98714	1.1
65.00204	0.3
67.01763	0.8
68.99706	0.4
69.03339	0.5
71.01273	3.6
72.99194	0.9
73.02834	0.9
75.00775	0.9
78.95776	0.5
79.01795	0.9
83.01259	1.6
83.04942	0.6
85.02834	2.2
85.99986	0.3
86.82839	0.2
87.00766	0.6
89.02339	0.6
95.01279	2.3
95.10795	0.3
97.02850	0.9
99.00776	0.7
101.02345	2.6
104.18671	0.2
107.01293	3.7
109.02859	0.4
111.00793	2.6
113.02386	1.7
123.00807	16.2
123.04465	0.4
124.01611	0.9
125.02373	18.0
126.02750	0.5
127.00299	1.1
136.98721	1.4
137.02373	0.7
139.00304	4.9
140.01103	3.7
141.01875	2.4
147.65791	0.3
151.00311	13.1
151.03947	0.4
152.00716	0.7
153.01903	0.7
154.99883	0.3
159.02924	0.3
161.04576	0.4
163.03937	0.3
165.01866	0.3
166.99823	0.4
168.00598	4.2
169.01385	25.2
170.01709	1.1
172.48111	0.2
175.03929	0.3
177.04001	2.9
179.03494	0.3
197.77498	0.3
200.68471	0.2
211.02428	0.6
223.02499	0.3
253.03642	0.5
259.17075	0.5
271.04623	0.5
300.99933	0.5
313.05508	1.3
318.02893	0.4
329.05276	0.6
397.11334	0.6
443.79370	0.3
465.17749	100.0
466.18127	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	465.1775
Annotation	3',5-Dihydroxy-3,4,4'-trimethoxybibenzyl-5-O-glucoside
Peak:m/z	Relative Intensity
55.01750	0.3
57.03329	0.7
59.01265	6.4
61.98709	0.7
67.01747	0.3
69.03335	0.5
69.23093	2.6
71.01272	3.8
72.99190	0.7
73.02815	0.6
75.00747	0.6
81.03356	0.4
83.01265	0.7
85.02843	1.8
87.00757	0.9
89.02335	1.0
93.03345	0.5
95.01301	0.8
95.04932	0.4
97.02853	1.1
99.00768	0.6
101.02361	1.8
101.43843	0.2
107.01324	0.6
108.02081	1.6
109.02248	0.3
109.02885	2.9
110.03693	0.3
111.00787	0.7
111.04369	0.2
111.78479	0.3
112.82674	0.2
113.02345	0.7
121.02890	0.4
122.03698	0.3
123.00809	1.6
123.04432	2.8
124.01604	1.8
125.02389	3.4
133.02850	0.3
133.06482	0.3
135.04410	0.5
136.01561	0.8
137.02382	3.3
138.03174	3.7
139.00264	0.5
139.03955	0.4
140.01118	0.3
145.02931	0.6
145.06506	0.4
147.04422	0.8
149.02368	1.5
149.05978	0.3
150.03154	1.1
151.00337	0.4
151.03949	1.8
152.00990	0.3
153.01837	0.3
159.04443	0.7
160.01591	0.5
161.02335	1.0
161.04562	0.3
161.06042	0.8
163.03967	1.0
163.07529	0.4
164.01079	0.5
164.04735	0.7
165.01897	0.7
166.02682	0.7
166.99783	0.3
168.00552	1.1
169.01373	3.1
169.28722	0.2
172.05273	0.5
173.02341	0.3
173.06049	0.9
175.03986	2.5
176.01125	1.8
176.04691	1.0
177.01886	5.6
177.04129	0.5
177.05536	1.0
178.02548	0.9
178.06245	0.9
179.03444	0.7
179.05507	0.3
179.07054	0.3
180.04355	0.3
185.29759	0.2
187.03963	0.7
188.04808	0.5
189.01923	6.8
189.05544	3.2
190.02615	2.0
190.06303	1.6
191.03532	2.0
191.05023	0.3
191.05318	0.3
191.07104	2.8
192.04228	0.3
192.07820	0.8
193.01462	1.1
193.96860	0.3
200.04657	0.3
203.03494	8.6
203.07103	0.6
204.04259	4.1
205.04947	1.3
205.08719	0.4
206.05609	0.3
209.00905	0.8
215.03404	0.3
215.07169	0.4
216.00607	0.9
217.01430	5.1
217.04961	2.5
218.05836	15.1
219.03006	1.8
219.06300	1.2
229.05052	0.3
231.03021	1.5
231.06685	0.6
232.07350	0.5
233.04457	0.4
235.06046	1.5
236.03244	0.4
236.06839	0.3
238.29602	0.3
241.12227	0.3
243.09987	0.3
245.08202	0.3
257.11932	0.4
259.13446	1.3
261.14981	1.7
271.06418	0.6
273.07788	0.5
275.12988	0.3
277.14539	2.4
285.07745	1.1
285.11331	1.0
287.12897	2.0
289.07230	1.4
289.14566	0.3
297.04123	0.3
299.09320	0.9
299.99225	0.4
300.99930	0.8
302.11728	0.5
303.12485	4.5
303.15994	0.7
305.13983	1.2
313.05753	0.5
315.15961	0.4
318.02676	0.4
321.13455	0.5
341.06735	12.3
342.07111	1.2
355.08508	1.3
405.25211	0.4
439.56998	0.3
465.12265	5.4
465.17737	100.0
466.12421	1.0
466.18094	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	465.126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83811	0.4
59.01262	8.3
64.09679	0.4
67.01799	0.4
71.01271	5.5
71.25964	0.6
72.99204	1.1
73.02866	0.6
77.04291	0.3
78.00121	0.4
79.01769	0.6
83.01274	0.9
85.02831	1.3
87.00751	0.8
89.02341	4.9
95.01273	1.4
96.01622	0.4
97.02855	0.7
101.02353	4.2
107.01290	3.9
108.03254	0.3
111.00792	1.0
113.02369	2.9
119.03419	2.3
123.00813	10.1
124.01584	0.7
125.02368	21.6
126.02693	1.0
127.00301	0.9
131.03398	0.4
136.98755	0.7
137.02370	0.7
139.00317	2.3
139.03860	0.5
140.01059	1.3
141.01854	1.7
149.02405	0.5
151.00313	9.2
151.06084	2.7
153.01865	1.2
154.99580	0.5
161.04468	0.6
164.07149	0.5
166.99742	0.8
167.03432	1.0
168.00578	5.3
169.01381	45.7
170.01735	2.3
177.01903	0.6
179.03429	0.9
179.05486	0.6
181.04956	0.4
192.04080	0.6
195.06595	0.6
209.04520	0.6
211.02469	18.6
212.02824	1.5
221.90384	0.4
223.02348	0.5
241.03421	0.7
253.03658	0.7
271.04654	35.3
272.04898	2.3
275.05707	0.4
285.04102	0.9
300.99979	1.0
303.05338	0.9
313.02209	0.7
313.05725	5.4
314.06125	0.5
331.06729	1.7
411.49411	0.4
465.12573	100.0
466.12888	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	465.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	4.8
59.01258	1.7
61.98716	0.3
63.71422	0.2
68.99721	0.3
69.03342	0.7
69.73132	1.7
71.01257	0.5
75.47626	0.3
77.03860	0.7
81.03342	2.1
83.01270	3.9
84.80315	0.3
85.02841	0.4
89.02382	0.4
93.03360	1.9
95.01285	0.8
95.04901	2.0
97.02850	4.8
98.20506	0.5
98.29275	0.3
99.04453	0.4
107.01274	0.5
108.02065	0.8
109.02863	16.7
111.00784	0.6
117.03346	0.7
119.04964	0.8
121.02866	4.0
121.35017	0.3
122.03661	0.9
123.00790	0.9
123.04436	9.3
124.04807	0.3
125.02368	33.3
126.02720	1.1
132.02092	4.0
133.02882	0.6
134.03659	7.7
135.04440	1.9
137.02373	23.9
138.02815	0.6
139.03932	3.5
143.04947	0.4
145.01820	0.6
145.02899	7.4
146.03511	0.9
147.04468	0.5
148.13446	0.3
149.02379	5.0
149.06044	2.7
150.03101	0.7
151.03932	5.5
153.87827	0.3
157.06493	0.9
159.04475	3.2
160.01611	20.0
160.05168	1.0
161.02390	3.7
161.06013	5.0
162.03172	2.3
163.03928	1.2
164.01079	2.1
165.01888	25.0
166.02255	1.4
167.03436	1.1
169.01363	3.4
173.06000	0.7
174.03189	0.3
175.03967	24.0
175.07533	1.3
176.04329	1.4
177.01917	0.9
178.02715	2.4
179.03426	4.0
185.06061	1.9
187.03983	4.6
188.04706	2.2
189.01973	0.8
189.05368	0.3
193.05031	12.0
194.05412	0.6
199.07587	0.5
201.05554	0.9
202.06282	1.4
203.03584	0.4
203.07115	10.2
204.07501	0.7
205.05058	5.9
209.05992	0.6
211.04057	0.4
212.04655	0.7
221.08202	2.3
225.05559	0.5
227.07137	2.0
228.07588	0.4
229.05122	0.5
230.05826	0.6
231.03055	1.0
242.05707	0.4
243.06479	0.3
245.08200	11.8
246.08539	1.3
247.06184	0.7
253.05011	1.8
257.08237	0.4
259.06107	0.3
271.06168	7.9
272.06409	0.5
283.06140	0.3
283.09799	0.5
289.07239	100.0
290.07584	8.8
297.07748	0.8
299.09305	5.9
300.09680	0.4
315.05402	0.7
315.08801	2.7
341.06781	3.1
384.04352	0.5
421.13025	1.1
447.11057	0.5
465.06580	0.6
465.12149	3.7
466.12555	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.9
59.01271	5.8
61.98716	4.8
67.01773	0.7
69.03327	0.5
69.67576	0.5
71.01271	5.4
72.57651	0.4
72.99203	1.3
73.02824	1.0
75.00778	0.8
81.03342	0.8
81.58824	0.5
83.01272	1.0
84.43979	0.4
85.02846	2.4
89.02348	2.0
93.03346	0.6
95.01277	1.4
95.04913	1.1
97.02841	1.2
99.00791	1.1
101.02359	2.3
103.21037	0.5
105.03371	0.5
107.01299	5.9
108.02099	9.6
109.02866	15.6
111.00784	1.8
113.02362	2.1
117.03358	0.9
119.03393	0.6
119.04951	1.0
121.02908	1.1
122.03653	0.5
123.00823	4.8
123.03539	0.9
123.04440	19.0
124.01586	0.8
124.04733	0.6
125.02370	34.2
126.02753	1.2
127.00285	0.7
133.02893	2.3
133.06502	0.5
134.03653	0.8
135.00797	0.8
135.04462	1.1
136.98705	0.8
137.02374	1.8
139.00339	2.6
139.01215	0.4
139.03973	0.5
140.01076	1.4
141.01817	1.4
145.02838	2.1
147.04462	3.2
148.01628	0.6
149.02396	2.1
150.03169	1.4
151.00305	4.3
151.03935	7.6
152.03473	1.6
153.01878	1.4
155.10745	0.4
159.04504	2.1
160.01628	3.0
161.02466	2.1
161.04561	0.5
161.05867	0.7
162.03076	0.9
163.03961	1.5
165.01826	1.0
166.02734	0.6
166.99794	1.8
167.03487	3.9
168.00615	3.2
169.01385	43.0
170.01697	1.6
175.03972	4.4
176.01089	1.3
177.01897	24.1
178.02177	0.5
179.03400	1.3
187.03967	1.9
188.04819	0.5
189.01903	47.6
190.02650	12.0
191.03476	12.3
192.03822	0.6
193.01349	2.0
195.03059	0.8
201.01875	0.7
203.03450	6.1
203.07098	0.5
205.05009	0.7
210.49950	0.5
211.02435	3.6
216.00671	7.5
217.01418	36.2
218.02061	3.5
219.02982	13.7
223.02477	0.7
227.07188	1.0
228.04318	0.6
229.01460	0.5
231.03015	10.7
232.03546	1.9
233.04584	1.7
235.02568	0.5
271.02414	0.5
271.03278	0.5
271.06168	3.7
281.04684	2.4
285.12433	1.0
289.07306	4.7
295.04663	0.9
297.06674	1.5
299.05060	0.5
301.00119	3.2
301.03262	0.8
301.07272	1.7
302.00299	0.7
302.03998	1.0
303.04108	1.5
303.21777	1.2
313.05630	16.5
314.06006	1.4
315.08493	0.5
318.02902	0.9
323.05804	1.6
341.06726	100.0
342.07089	10.4
355.08289	8.4
356.08661	0.8
387.20313	1.8
394.97589	0.5
405.21027	0.8
465.06674	43.9
465.12073	44.4
465.26379	3.1
466.07025	3.8
466.12030	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00201	1.7
57.03323	3.8
59.01267	19.4
61.98706	3.8
63.02283	1.6
65.00201	8.5
67.01781	10.5
69.03353	1.8
69.63071	7.2
71.01276	9.6
72.99171	1.7
73.02826	2.6
75.00755	3.3
78.95788	3.1
79.01787	2.2
80.99702	3.6
83.01279	5.3
83.24362	1.1
83.51298	1.2
85.02847	3.2
87.00758	1.6
89.02338	7.0
91.21481	1.3
92.99736	2.5
93.03383	1.7
93.07320	1.1
95.01289	26.4
97.02848	3.8
99.00787	3.7
101.02348	4.9
107.01305	15.8
108.02082	1.9
109.02866	3.3
110.00050	1.6
111.00802	6.0
113.02374	4.2
115.06472	1.1
119.03422	2.7
119.04927	1.8
119.35685	1.2
121.02827	2.0
123.00802	34.2
123.04433	4.5
124.01603	3.9
125.02371	100.0
126.02742	2.9
127.00349	2.0
131.01291	1.2
131.04947	1.3
132.02139	1.5
133.02879	3.1
134.03630	1.2
135.04474	2.2
136.98755	3.6
137.02386	5.6
139.00308	27.9
139.03862	1.6
140.01062	2.4
141.01851	3.4
145.02884	4.1
147.00797	1.5
147.04417	2.0
149.02361	5.4
150.03139	3.5
151.00340	11.3
151.03949	9.8
152.01077	5.1
153.01840	7.3
154.99800	2.5
159.04477	1.5
161.02377	4.3
161.04489	3.2
163.00354	3.3
163.03932	3.0
164.01149	1.4
164.98218	1.8
165.99049	2.9
166.99815	25.6
167.03513	2.8
168.00595	6.8
169.01382	73.0
170.01802	2.2
171.00798	2.3
173.02409	4.6
174.03258	2.6
175.03987	11.2
177.01917	16.5
178.99780	9.4
179.05615	1.9
181.01382	2.4
182.99194	1.2
185.02374	2.0
187.00336	4.5
189.01897	5.6
189.05673	1.9
190.02646	1.6
191.03479	3.5
193.05013	1.4
199.04033	5.8
200.01195	1.4
201.01904	6.9
202.99883	1.4
203.03453	3.4
205.01357	1.7
211.02481	4.9
214.99854	5.8
215.03418	1.9
216.00566	2.0
217.01448	2.7
217.05028	5.6
229.01421	6.9
231.03033	2.7
233.00902	1.9
241.05188	6.5
242.99370	3.3
243.03065	2.4
245.00888	5.3
247.02570	1.5
248.03209	1.7
249.03983	3.5
257.00946	4.6
258.98990	1.3
259.06274	3.2
261.00479	2.4
269.00592	1.3
270.98871	5.0
271.02127	1.9
271.04718	4.4
272.02844	2.8
273.00397	4.5
273.03113	3.6
274.01181	2.8
275.02072	10.5
275.05603	3.6
283.99573	2.2
285.00558	3.9
285.04089	41.8
286.04544	2.3
286.98520	1.5
291.01483	1.3
297.00494	2.9
298.98386	4.8
299.01907	3.3
299.99142	6.4
300.02524	4.2
300.99908	61.2
301.02536	5.0
302.00009	3.6
302.03360	1.4
303.05167	34.1
303.08539	1.4
303.12372	7.8
304.05508	3.1
313.05780	4.8
321.15646	5.2
331.06647	1.9
348.36087	1.4
405.21561	6.3
421.02335	2.1
437.11172	2.2
438.03397	10.0
452.03152	11.0
457.02170	1.5
465.00598	2.7
465.10504	54.2
465.23798	1.7
466.02744	4.1
466.10950	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48159	0.7
57.03336	6.5
58.00475	1.0
59.01264	32.4
65.00215	2.5
69.88308	3.6
71.01273	11.8
73.02837	1.3
78.95797	0.9
81.03330	0.8
83.01295	7.3
85.02841	2.8
89.02338	12.3
95.01278	2.9
97.02857	1.1
98.20439	1.0
100.23471	0.8
100.25381	0.7
101.02363	6.3
107.01298	7.7
108.02078	1.3
109.02889	4.5
111.00772	1.6
113.02348	4.9
119.03419	7.9
121.02863	1.9
123.00820	4.3
123.01559	0.8
123.04436	4.7
124.01592	2.1
125.02367	93.9
126.02716	3.3
131.03438	1.0
137.02367	3.5
139.03934	3.6
143.03418	1.4
147.04459	1.1
149.02379	11.7
150.03148	1.3
151.00302	27.2
151.03903	2.7
152.01054	2.9
153.01875	24.9
161.02399	1.6
161.04437	3.8
163.00276	1.2
163.03951	1.3
165.01805	2.1
166.99835	1.9
167.03464	1.6
169.01405	7.3
175.00381	3.7
175.03981	7.5
176.01010	0.8
177.01888	18.5
178.99834	16.9
179.03442	0.8
179.04178	0.8
179.05545	6.5
180.00182	1.2
181.01408	11.4
188.04704	1.9
189.05583	4.2
191.03468	1.8
193.01477	1.2
195.02948	1.8
199.04024	4.6
201.01903	3.3
205.01385	1.8
213.05568	0.8
217.05060	5.1
232.26649	1.0
241.05020	3.4
243.02982	0.9
257.04584	1.4
259.06189	2.2
275.02200	1.5
275.05664	19.9
276.05884	1.8
285.04105	45.8
286.04474	4.3
299.05692	6.4
300.99939	5.5
303.05161	100.0
304.05493	10.2
327.05112	2.7
341.05219	8.7
342.05695	1.0
343.06796	7.6
379.62570	0.9
405.21384	25.5
406.21655	1.7
437.10950	2.8
438.03339	1.1
447.09708	5.2
465.10458	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	465.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	5.3
59.01268	14.1
61.98742	1.0
64.99937	0.7
65.00240	2.7
67.01807	2.1
69.03365	2.0
69.46798	5.9
71.01257	7.8
72.65382	0.7
72.99216	1.7
75.00770	4.2
79.01766	1.3
83.01271	3.5
85.02863	2.7
87.00809	0.8
89.02337	5.5
93.03386	0.7
95.01279	8.9
97.02886	1.3
98.19827	1.6
99.00782	1.4
101.02367	5.3
106.46457	0.7
107.01302	14.0
107.04945	8.5
108.02067	0.8
109.02853	1.6
111.00813	3.4
113.02353	3.9
116.38008	0.8
117.03326	0.9
119.03434	3.2
119.04959	0.9
121.02898	1.4
122.99910	1.4
123.00804	24.7
123.04468	2.4
123.30332	0.7
124.01605	5.6
125.02370	100.0
126.02727	2.6
127.00263	0.9
133.02859	1.1
136.98793	2.0
137.02376	3.3
139.00301	6.5
140.01141	3.1
141.01877	3.4
145.02852	1.5
146.03703	0.7
147.04413	1.9
149.02396	3.3
149.99385	0.9
150.03159	1.9
150.06834	1.3
151.00319	18.7
151.01512	1.1
151.03952	5.3
151.07556	1.5
152.01089	7.7
153.01913	3.9
157.02989	0.9
159.00877	1.0
159.04468	1.5
160.01527	0.8
160.94025	0.7
161.02371	2.1
161.04504	1.3
161.92281	0.7
163.00299	2.5
163.03944	2.3
165.01877	1.0
166.02690	1.0
166.99815	16.5
167.03471	0.9
168.00616	9.5
169.01384	74.1
170.01714	1.9
173.02408	1.8
173.06009	0.9
174.03148	1.0
175.03976	4.8
176.01143	1.4
177.01910	3.9
178.99835	5.8
179.05608	1.3
181.01332	0.9
185.02310	1.5
187.00305	2.6
188.01024	1.1
188.04698	0.7
189.01891	2.3
189.05559	2.1
190.02641	1.3
191.03442	2.4
192.00577	1.0
193.01357	1.5
193.05077	1.2
197.05966	0.7
199.04034	1.2
201.01918	3.5
202.99774	0.8
203.03526	2.0
211.02484	16.8
212.02747	0.8
214.99916	4.7
215.03314	1.1
215.07126	0.9
216.00537	3.5
216.04138	0.8
217.01341	2.9
217.05022	4.5
218.02094	1.0
219.02956	1.2
227.03616	0.7
229.01477	3.5
231.02911	1.4
231.06686	1.4
233.98151	1.0
241.05151	1.3
242.99326	2.2
244.00133	7.6
245.00897	4.7
247.02377	2.0
248.03169	1.0
249.04027	1.9
257.00827	2.4
257.04483	1.2
258.98816	1.5
259.02365	2.1
259.06235	7.0
259.99564	1.0
261.00339	1.8
270.98773	2.8
271.04654	31.7
271.99731	4.5
272.04822	1.1
273.00443	7.0
273.03232	0.7
273.04526	1.1
274.01080	2.4
274.04840	2.0
275.01910	8.7
275.05505	5.3
283.99512	1.1
284.03259	0.9
285.04089	21.3
286.04327	2.1
286.98868	0.6
287.02051	12.0
288.02780	5.9
289.00177	0.9
289.03458	3.1
298.98264	3.7
299.99188	4.4
300.99960	48.5
301.03354	3.1
302.00012	1.0
303.01816	1.2
303.05161	18.9
304.05420	1.2
313.05539	6.7
313.09323	3.1
331.06839	3.6
337.02362	0.7
367.01901	1.0
368.02628	0.7
405.21057	0.8
421.11520	17.6
422.11581	2.7
435.05209	0.9
437.05942	0.8
437.11029	11.3
438.03076	6.1
438.10956	1.5
444.03381	1.1
447.09433	6.8
450.08136	6.9
451.07996	0.8
452.03131	6.4
457.02026	1.0
465.10049	97.1
466.02682	2.8
466.10455	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	465.1065
Annotation	6-C-Glucopyranosyldihydroquercetin
Peak:m/z	Relative Intensity
59.01268	3.7
65.49628	0.9
67.01778	2.4
69.03348	2.4
71.01277	8.8
72.99223	1.6
73.02833	2.4
76.82604	0.9
79.01801	3.8
83.01279	1.6
85.02866	3.5
89.02349	1.2
93.03431	1.1
95.01308	6.1
97.02867	2.4
99.00787	1.3
101.02361	3.6
107.01295	18.0
107.04937	32.6
108.05305	1.1
109.02863	1.3
110.00029	1.0
111.00797	5.9
113.02367	3.8
123.00807	33.9
123.04443	2.1
124.01676	2.5
125.02371	91.9
126.02726	3.1
127.00293	1.8
136.98767	2.5
137.02406	2.5
139.00313	11.2
140.01096	7.7
141.01900	4.7
145.02835	1.0
151.00291	20.1
151.03940	5.1
153.01935	2.1
163.03967	1.5
166.99869	3.0
167.03481	1.0
168.00601	6.6
169.01384	96.9
170.01755	3.4
211.02493	2.8
229.01544	1.1
241.03600	1.4
253.03763	1.7
275.01956	1.3
297.06439	1.1
299.99365	4.6
300.99826	10.3
301.99826	8.6
303.00510	4.5
313.05707	17.5
421.11520	50.6
422.11768	5.4
438.03275	1.2
447.09268	8.4
465.10651	100.0
466.10938	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	465.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16482	0.4
59.01263	4.2
61.98719	0.8
62.42902	0.5
70.99615	1.1
71.01277	2.1
75.00796	0.8
84.43907	0.4
85.02831	0.5
89.02348	1.6
95.01296	1.7
101.02364	1.3
107.01283	2.1
107.04933	1.0
111.00803	0.4
111.52802	0.4
113.02349	0.5
119.03403	0.8
123.00816	5.4
124.01568	0.5
125.02368	10.3
125.59275	0.4
133.02863	0.5
135.04443	0.5
137.02394	0.4
139.00302	0.9
140.01013	0.5
145.02899	1.2
147.04425	0.6
151.00310	1.3
151.03978	0.6
161.02382	0.9
161.04457	0.5
163.04024	0.4
166.99820	3.4
168.00615	1.4
169.01390	14.8
170.01788	0.5
173.02429	1.4
177.01884	1.0
185.89691	0.4
187.00331	0.9
189.01891	1.3
190.02695	1.3
201.01913	2.3
202.02675	0.6
203.03513	1.0
211.02458	1.8
214.99831	1.0
216.00623	3.1
217.01457	2.4
218.02258	2.2
226.99916	0.5
229.01437	1.7
230.99380	0.5
231.02884	1.3
242.99396	0.6
244.00157	9.0
245.00938	20.0
246.01404	1.4
249.03990	0.5
257.00995	1.1
258.01620	1.0
258.98648	0.5
259.02579	3.6
259.99323	0.4
270.98923	0.8
271.04691	1.7
271.97409	0.3
271.99680	14.6
273.00470	64.2
274.01178	18.7
275.01877	3.0
285.12775	0.5
286.01218	0.7
287.02042	18.2
288.02820	100.0
289.03503	26.4
290.04025	1.5
298.98273	0.7
299.99191	1.6
300.99976	11.6
301.03445	0.8
302.00729	0.8
302.04340	2.3
303.05164	94.2
304.05502	7.6
313.05719	0.9
351.68417	0.4
355.04599	0.6
405.21329	0.9
421.11337	0.9
433.07932	9.2
434.08075	1.1
438.03250	1.6
450.08160	5.0
451.02509	0.6
451.08490	0.5
452.03134	2.0
465.10583	13.2
466.10895	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.4
58.00504	0.4
59.01266	12.1
61.98726	1.6
63.58927	0.3
65.00220	0.7
66.11970	0.2
69.03353	0.4
71.01269	6.9
72.99205	0.5
73.02834	1.8
75.00764	1.8
78.06690	0.2
80.02579	1.1
81.03342	1.4
83.01295	1.5
83.04912	4.5
83.05360	0.4
83.88108	0.3
84.02090	0.8
85.02851	2.6
87.00787	0.5
89.02335	6.0
93.03374	0.7
95.01296	0.7
95.04951	0.5
97.02894	0.3
98.20669	0.6
99.00790	0.4
101.02348	6.1
101.02998	0.4
107.01290	1.9
108.02084	0.6
109.02891	0.8
109.06557	0.4
111.00793	0.4
113.02366	3.2
119.03421	1.9
123.00811	1.1
124.01605	1.1
125.02384	3.7
125.05962	0.4
131.03429	0.4
134.98308	0.2
135.08110	0.7
137.02382	2.0
139.00323	0.4
143.03453	0.9
143.86682	0.3
149.06013	2.9
151.00316	5.5
152.01076	0.7
153.12845	0.3
159.02983	0.4
161.04514	3.4
163.00327	0.9
163.11270	3.0
164.01051	1.0
165.01912	0.6
165.12793	2.3
168.00642	0.4
169.01376	4.6
173.02332	0.3
177.01944	0.3
178.99846	4.5
179.05569	1.7
180.00285	0.3
181.12273	0.6
182.66742	0.3
188.04703	0.3
191.10704	0.8
193.01385	0.3
199.13350	0.3
203.03438	0.6
204.04280	0.3
207.50177	0.3
209.11819	100.0
210.12158	6.9
214.02713	2.9
215.03346	0.8
217.01402	0.3
217.04845	0.3
226.02672	0.3
227.03516	0.8
227.12894	18.5
228.13248	1.0
229.01482	0.3
235.08289	0.6
241.14473	9.4
242.02197	2.9
242.14679	0.7
243.03021	2.6
244.03584	0.5
253.09325	14.5
254.09599	0.4
255.03024	2.5
259.02573	3.1
270.01712	3.2
271.02530	23.8
272.02847	2.8
287.02017	10.4
288.02551	1.2
299.02008	0.5
299.99124	1.9
300.02768	7.7
300.99960	2.1
301.03510	5.6
302.03976	0.3
313.05844	2.0
315.01547	0.6
316.02295	48.1
317.02917	13.6
318.03302	1.0
331.17709	1.7
389.05804	0.3
403.19666	0.5
463.08762	47.3
463.21909	6.4
464.09039	6.6
464.22324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2119
Annotation	Roeperanone
Peak:m/z	Relative Intensity
55.01761	1.2
57.03336	0.9
58.00499	0.5
59.01265	8.1
59.06957	0.4
60.01594	1.0
61.01693	0.5
61.98706	0.7
64.84257	0.4
68.02040	0.4
71.01267	9.3
71.60466	0.7
72.01588	1.5
72.73512	0.4
72.99178	0.4
73.01701	0.8
73.02831	3.6
74.03188	0.7
75.03252	0.4
78.95794	100.0
83.01273	2.2
83.04878	0.4
85.02843	5.2
85.99979	0.9
86.03169	1.1
87.00782	0.9
87.03268	0.6
89.02357	1.1
94.42816	0.4
94.43482	0.5
95.01289	1.3
95.96066	0.7
96.96865	37.3
99.00790	1.1
101.02358	7.5
102.02649	2.0
103.02795	0.9
107.01264	0.6
109.64086	0.6
113.02374	3.0
114.02675	0.8
123.04453	0.5
137.02386	0.7
137.89983	0.4
138.97987	1.4
151.00316	1.4
152.99551	1.1
161.04564	1.9
162.04811	0.7
163.04945	0.8
165.03210	0.4
178.99869	1.0
181.33459	0.4
209.11816	4.9
214.02615	1.0
217.00249	1.0
227.12825	0.9
242.02173	1.0
243.03056	0.7
250.98795	0.4
253.09283	1.1
259.02390	2.1
270.01852	0.6
271.02512	6.3
281.19067	0.5
282.19553	0.5
283.19983	0.4
287.02014	2.8
299.20251	18.0
299.99234	4.7
300.02774	1.1
300.20572	24.5
300.99951	4.1
301.03394	0.7
301.15820	14.7
301.20911	35.1
302.16077	1.4
302.21179	1.5
316.02292	13.9
317.02924	3.4
318.91217	0.5
403.83783	0.4
416.40390	0.5
462.26065	1.2
463.09015	10.1
463.21127	46.3
463.26465	18.7
464.09341	1.4
464.21271	6.5
464.26968	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1108
Annotation	Mudanoside B
Peak:m/z	Relative Intensity
57.08422	0.7
57.34293	0.7
59.01256	1.5
69.03336	1.4
70.80583	1.1
70.80912	1.3
71.01254	1.2
71.50665	0.8
83.16391	0.7
85.24665	0.7
88.02122	0.7
89.02338	2.0
92.45831	0.7
95.01289	1.1
101.02367	0.8
123.00811	5.4
124.01588	18.1
125.02389	18.1
137.14565	0.7
139.00217	1.2
143.58025	0.8
149.02402	1.5
149.99538	20.1
151.00192	1.9
161.02359	1.2
162.03032	0.7
165.01836	1.6
166.99765	1.6
168.00603	78.4
169.01302	6.5
177.01897	1.9
179.03572	1.1
194.65349	0.9
211.02486	2.9
219.75500	0.9
265.19336	0.7
271.04654	1.9
301.00027	1.5
301.99963	0.9
307.54315	0.9
308.58902	0.9
311.09833	1.7
327.05237	2.4
331.06741	3.0
357.39926	0.8
397.58530	0.7
445.09760	1.4
463.11029	100.0
464.11343	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	463.1104
Annotation	Mudanoside B
Peak:m/z	Relative Intensity
59.01253	4.7
62.67673	0.8
64.79071	0.9
69.03360	1.7
70.03423	1.6
70.03825	2.7
71.01273	2.7
83.01248	1.2
89.02330	2.6
94.68870	0.9
95.01259	1.2
96.95913	3.0
96.96864	2.1
98.20459	1.2
99.00739	1.2
100.10100	0.9
101.02335	2.6
119.03403	1.4
123.00822	5.3
123.15286	0.9
124.01579	14.5
125.01443	1.3
125.02367	23.5
126.02689	1.1
139.00270	0.9
149.02417	0.9
149.99535	22.0
151.00160	1.7
165.01779	1.1
167.03415	1.5
168.00597	59.1
169.01375	12.7
195.03030	1.1
203.03400	0.9
211.02513	9.7
229.01440	1.4
249.04042	1.1
271.02399	0.7
271.04700	12.7
272.05118	1.4
273.05121	1.1
275.01956	2.3
283.99799	0.8
300.74368	0.8
301.00000	16.2
302.00266	0.9
311.09857	4.2
315.01248	1.1
331.06796	5.3
382.98093	0.9
399.63989	1.0
417.49503	0.9
445.04077	2.1
445.09869	2.2
463.05258	11.3
463.10992	100.0
464.05609	1.6
464.11386	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	463.0897
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
50.75721	1.1
59.01261	8.5
62.46777	1.0
63.02283	2.4
65.00215	8.8
65.86713	1.1
66.62139	1.1
70.18965	5.5
71.01270	4.3
72.99149	1.0
83.01273	7.5
85.02838	1.4
89.02333	1.7
91.54439	1.0
93.03387	5.0
95.01291	2.5
99.00782	1.1
101.02388	1.6
101.22711	1.0
107.01307	12.9
108.02134	1.8
109.02863	3.5
109.99994	2.2
111.00782	10.2
113.02366	1.3
114.47475	1.1
117.03400	5.0
119.04953	3.9
121.02923	2.5
123.00806	7.3
124.01577	3.8
125.02374	7.2
129.03391	1.3
133.02930	1.7
135.00865	1.7
137.02377	3.7
139.00308	11.5
140.01080	1.6
141.01912	1.3
143.04990	2.2
145.02884	4.7
151.00310	47.6
152.01013	2.4
154.04199	1.1
155.04970	1.9
155.10802	1.0
157.02840	1.4
159.04445	2.8
161.02399	2.5
161.06050	1.6
163.00331	4.0
163.03961	2.8
164.01122	3.5
164.98285	2.0
165.01913	3.3
165.99048	1.2
166.99858	2.4
168.00586	3.1
169.01407	9.0
171.04451	6.3
173.02362	2.3
173.43034	1.1
174.03214	2.4
175.03992	2.7
177.01920	1.2
177.99014	1.5
178.99823	41.9
180.00194	2.1
183.04486	4.6
185.02431	1.4
187.03998	3.9
189.01842	2.6
189.05557	2.6
192.00693	2.5
194.99396	2.0
196.37724	1.1
199.03992	5.1
201.01990	2.9
201.05486	1.4
203.03508	5.1
206.99329	1.4
211.04019	2.8
214.02736	4.2
215.03474	5.1
216.04163	1.3
217.01567	1.7
217.05070	16.5
226.89230	1.0
227.03554	6.7
231.02988	4.7
232.03683	1.9
242.02252	5.6
243.03026	11.4
244.03719	1.7
245.01176	1.1
245.04596	4.6
246.02141	1.2
255.03072	18.6
256.03445	2.6
257.13019	1.6
259.02548	8.6
261.04123	1.0
270.01730	5.6
271.02563	49.9
272.02960	6.5
273.01382	1.2
273.04050	7.5
283.02612	5.6
284.03305	1.3
285.04245	2.2
287.02051	18.5
288.02664	2.8
289.03598	3.0
299.02057	42.7
299.99152	4.5
300.02515	6.5
300.99951	5.1
301.03610	11.4
301.20273	2.4
316.02322	58.5
317.03055	39.4
318.03534	4.4
334.77350	1.2
343.06799	3.0
345.73843	1.2
355.06732	1.5
363.11124	5.1
435.09564	1.7
445.07950	1.8
446.08838	1.4
463.08969	100.0
463.25748	14.8
464.09406	11.4
467.15488	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0893
Annotation	Myricitrin
Peak:m/z	Relative Intensity
63.02276	0.6
65.00198	1.2
83.01269	0.7
87.62786	0.1
91.01768	0.2
98.20562	0.4
107.01302	2.6
107.53402	0.1
108.02118	0.2
109.02882	1.7
111.00800	0.2
118.36926	0.1
119.80399	0.1
121.02849	0.2
123.00834	0.3
124.01585	3.6
125.02390	1.1
125.42587	0.1
135.00844	0.8
136.01634	0.9
137.02379	4.5
143.04994	0.2
148.01593	0.6
151.00308	9.6
152.01134	1.7
155.03465	0.2
158.03607	0.1
159.04395	0.3
161.02370	0.3
163.00302	2.2
164.01099	2.5
165.01837	0.7
166.61807	0.2
169.01421	0.7
169.02763	0.2
171.04459	0.3
173.02425	0.2
174.03198	0.3
175.03912	0.3
177.01810	0.2
178.99823	9.8
180.00153	0.8
183.04465	0.3
185.02390	0.3
186.03104	0.2
187.03973	0.9
188.04688	0.3
189.01901	0.3
190.02692	0.2
190.99821	0.3
191.03484	0.2
192.00647	0.7
193.01347	0.5
198.03107	0.2
199.03992	0.7
201.01883	0.2
203.03528	1.4
204.04172	0.8
213.01878	0.5
214.02710	9.3
215.03293	1.5
216.04221	0.4
217.01329	0.3
218.02162	0.2
219.02913	0.3
227.03520	1.7
229.01340	0.2
231.02950	0.4
232.03702	0.7
241.01445	0.4
242.02234	7.6
243.02985	5.8
244.03534	0.8
245.04443	0.3
246.01662	0.3
255.03017	0.3
259.02527	8.1
260.02884	1.2
261.04001	0.5
270.01746	8.8
271.02524	50.5
272.02893	4.3
281.01028	0.2
287.02039	29.0
288.02521	4.5
289.03223	0.3
299.02002	0.8
315.01517	1.3
316.02292	100.0
317.02887	25.3
318.03366	1.5
463.08908	55.7
464.09222	6.5
464.15845	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35357	0.9
56.40698	0.7
59.01249	2.6
63.02272	1.1
65.00208	2.6
68.99689	1.2
69.31263	8.7
83.01276	2.2
95.01298	3.5
107.01309	4.2
108.02081	0.9
109.02876	12.6
109.99997	6.5
111.00787	5.2
121.02888	1.0
123.00793	4.8
124.01575	4.7
125.02415	4.5
133.02875	1.0
135.00780	1.5
136.98747	1.6
137.02382	2.9
137.99554	1.9
139.00287	8.2
139.03967	1.1
147.00864	0.9
148.01614	1.5
149.02361	2.9
151.00308	15.0
152.01123	7.5
153.01888	3.8
156.19936	0.8
157.02876	1.0
158.03528	0.9
159.04482	2.3
161.02396	1.1
163.00296	5.0
164.01077	3.0
165.99048	7.8
166.99808	4.0
171.04451	2.8
173.06087	0.8
174.03247	0.9
175.00183	1.0
175.04007	1.6
178.99823	11.5
181.01392	1.4
183.04454	2.2
185.02420	0.9
187.03940	3.7
189.01907	1.7
192.00661	0.9
193.01355	3.2
197.02473	1.0
198.03226	1.2
199.04010	7.0
201.01895	2.0
201.05594	0.9
203.03517	4.4
205.01543	0.9
206.99301	2.0
208.00192	0.8
211.04092	1.0
213.01930	1.6
214.02643	4.8
215.03462	5.4
216.04198	1.9
217.01624	1.1
217.05069	1.6
225.01912	0.9
227.03513	7.3
229.01373	0.9
231.02951	4.1
232.03502	1.6
241.01422	1.7
242.02316	4.9
243.03011	13.5
244.03571	1.9
245.04570	1.4
255.03056	7.8
259.02475	3.3
260.03116	1.8
261.04095	1.1
270.01770	4.3
271.02536	43.3
271.05469	2.1
272.03140	7.0
273.04111	9.8
276.12527	1.0
287.02045	12.0
288.02701	6.8
289.03519	2.4
298.01346	0.9
299.02014	33.9
300.02536	2.4
301.03659	1.0
315.01715	1.1
315.98471	1.8
316.02286	54.1
317.03070	58.7
318.03409	4.8
445.07819	1.2
463.08923	100.0
464.09274	12.8
477.23077	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0531
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.0
71.01262	0.7
111.00789	0.4
132.02112	0.6
136.60365	0.3
145.02939	0.4
154.87744	0.3
160.01549	0.5
161.04495	0.3
166.90782	0.3
169.01428	0.4
172.01581	0.9
173.02332	0.5
185.02473	1.5
188.01083	0.6
200.01134	2.8
201.01845	0.8
213.01996	0.4
216.00665	2.5
228.00620	0.8
229.01418	2.1
230.01646	0.3
242.99336	1.8
244.00111	2.8
245.00867	0.4
256.00037	0.3
257.00891	2.6
270.98898	1.3
271.99591	1.0
273.00494	0.4
282.98981	0.8
283.99704	0.9
298.98492	1.1
299.99173	100.0
300.99899	41.2
302.00308	2.6
373.14172	0.8
403.19836	0.6
445.94009	0.3
463.05289	81.5
464.05637	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	463.0896
Annotation	6-Hydroxytricetin 5-rhamnoside
Peak:m/z	Relative Intensity
56.35384	0.4
59.01266	10.3
63.02278	0.7
65.00216	1.3
68.99677	1.1
70.36755	1.1
71.01268	3.3
72.99187	0.8
73.02838	0.9
75.00781	2.3
83.01262	1.0
85.02856	2.1
87.00729	0.4
89.02335	1.5
95.01283	1.0
99.00773	0.4
101.02349	2.2
102.96851	0.4
107.01301	3.6
109.02885	0.6
110.00001	1.4
111.00758	1.0
113.02357	1.2
119.03430	0.4
119.04836	0.4
121.02835	0.4
123.00807	2.7
124.01563	0.6
125.02376	8.3
130.04176	0.9
131.04947	3.3
133.02898	0.5
135.00803	1.0
137.02341	1.2
139.00266	2.4
140.01035	0.4
149.02364	1.7
149.06041	2.1
150.03093	0.4
151.00319	8.5
155.04968	0.8
157.02907	0.9
159.03128	0.4
159.04440	1.4
161.02361	1.6
161.04495	2.6
163.00343	1.1
164.01106	5.8
165.01683	0.3
165.99036	1.5
166.99767	1.2
169.01384	11.5
170.01733	0.7
171.04453	0.9
173.02373	0.8
175.03966	1.6
177.01891	0.5
178.99786	2.7
179.05420	0.4
183.04478	1.1
185.02446	1.6
187.00259	0.8
187.03976	1.1
189.01910	0.8
193.01369	1.0
193.71246	0.4
199.04042	3.0
200.01114	0.6
201.01907	9.3
202.02341	0.8
203.03468	5.9
204.03914	0.3
215.03464	1.2
216.00537	0.6
216.03889	0.4
217.01443	0.4
219.02924	0.4
227.03503	5.2
229.01437	1.1
231.02998	6.4
232.03510	0.5
234.39883	0.4
242.02228	0.5
243.03004	4.2
244.00159	0.6
244.03459	0.5
245.00839	0.5
247.02425	0.8
255.03011	3.9
256.03293	0.5
257.00861	1.1
259.02414	0.5
270.01758	0.9
271.02536	63.9
271.99966	0.6
272.02939	6.4
287.02029	3.2
288.02386	2.3
298.01242	1.5
299.02029	100.0
299.99167	16.0
300.02634	20.9
300.99911	10.9
301.03537	9.1
302.00314	1.3
302.03787	0.6
313.05789	2.6
315.01651	0.5
316.02283	11.8
317.03033	7.4
318.03394	0.6
403.19958	0.6
463.08875	16.4
463.13562	2.5
464.09027	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	463.053
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23803	0.5
54.87175	0.4
59.01254	1.8
59.01528	0.5
61.98697	0.6
62.63587	0.5
71.01260	0.9
101.02338	0.7
103.66821	0.4
145.02853	0.5
147.04553	0.5
157.33032	0.5
160.01590	0.6
166.55252	0.6
172.01607	1.5
173.02376	0.8
185.02437	1.4
193.81047	0.4
200.01122	2.0
201.01884	1.8
216.00655	2.9
217.01205	0.6
228.00639	1.9
229.01332	2.7
229.60664	0.6
242.99316	1.3
244.00177	3.9
245.00867	0.9
257.00937	1.6
270.98914	0.6
271.99539	2.4
273.00330	1.0
274.01376	0.5
275.02060	1.4
282.98752	1.1
283.99771	1.3
298.98523	1.2
299.99173	100.0
300.99902	65.7
302.00287	5.2
402.15045	1.2
403.14810	0.6
442.98077	0.5
451.51282	0.5
463.05283	89.7
464.05624	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2555
Annotation	Pierisformoside C
Peak:m/z	Relative Intensity
51.20223	0.1
55.01773	1.6
57.03334	1.3
58.00486	0.6
59.01268	9.3
60.01613	0.1
61.98717	0.1
65.22790	0.1
67.01784	0.1
68.63143	0.1
68.99712	0.2
69.03349	0.2
70.81870	0.1
70.82233	0.2
71.01274	16.1
71.56366	0.1
72.01617	0.3
72.99206	1.0
73.02839	6.4
74.03202	0.1
75.00756	0.4
78.95803	0.1
81.03406	0.1
81.74846	0.1
83.01282	4.0
84.02075	0.1
85.02848	8.9
85.99993	1.2
86.03215	0.1
87.00780	1.2
87.94558	0.1
89.02338	1.1
95.01288	1.5
97.02857	0.5
97.06503	0.1
99.00171	0.1
99.00784	2.5
101.02351	15.2
102.02702	0.2
105.12697	0.1
109.06473	0.1
111.00800	0.4
113.02361	6.8
114.02715	0.2
119.03436	0.2
125.02359	0.6
129.01872	0.3
131.03406	0.1
137.18874	0.1
139.00320	0.1
141.01920	0.1
143.03459	0.7
152.99643	0.1
159.02934	1.2
161.04509	4.7
162.04851	0.2
169.01469	0.1
175.47328	0.1
175.57863	0.1
185.09660	0.4
197.09723	0.2
199.11230	0.2
202.74188	0.1
205.03595	0.2
207.10339	0.2
211.11169	0.2
225.11485	0.1
243.17522	0.1
253.09268	0.1
265.16037	0.3
267.17563	1.4
268.17981	0.1
269.15640	0.2
281.19180	1.4
282.19574	0.2
283.17105	0.3
287.02011	0.1
297.18732	0.9
298.19098	0.1
299.20227	100.0
300.20572	10.7
307.53976	0.1
315.01575	0.1
341.21350	0.1
357.20703	0.2
369.20715	0.5
383.22348	0.1
399.21835	0.1
443.24319	0.1
461.25571	30.8
462.25934	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	461.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00478	0.4
59.01265	69.0
60.01297	0.3
60.01605	0.6
61.98718	2.6
68.34535	0.3
69.03349	0.7
71.01266	4.8
71.10175	0.6
72.99184	0.8
73.02837	0.7
75.00765	1.1
83.01283	0.6
85.02858	1.9
87.31461	0.3
88.19933	0.3
88.98688	0.5
89.02341	4.4
95.01308	0.7
101.02343	5.3
111.44993	0.3
113.02365	5.7
119.03423	4.0
121.41168	0.3
123.00819	0.5
125.02390	0.8
143.03452	0.5
152.99513	0.4
155.57982	0.3
160.29976	0.3
160.75175	0.4
161.04526	2.6
168.00500	0.3
169.01396	1.0
177.64694	0.3
179.05562	0.7
179.14383	17.7
180.14720	1.0
195.15794	0.3
195.17528	6.0
221.06831	0.4
221.15479	27.2
222.15768	2.0
226.37517	0.3
235.17081	0.7
239.16550	100.0
240.16887	8.3
255.26430	0.3
281.17624	1.5
284.57138	0.3
286.23154	0.3
311.18597	0.4
315.01614	0.7
379.41241	0.5
401.21613	1.6
461.07150	0.8
461.14426	0.8
461.23550	1.6
462.07947	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	11.2
58.00494	1.0
59.01265	26.2
69.03342	2.3
69.62541	2.0
69.62945	7.8
71.01273	16.8
72.99207	1.8
73.02843	3.4
80.27060	0.9
81.03332	1.4
83.01295	1.8
83.04874	1.4
85.02851	5.8
87.00776	1.6
89.02344	10.1
93.03355	1.7
94.79136	0.9
95.01294	1.9
95.04943	2.2
96.95915	1.7
97.02850	2.8
99.00775	2.7
101.02359	8.6
107.01298	4.6
107.04935	1.5
109.02908	1.3
111.00799	1.4
113.02368	7.1
119.03407	3.0
121.06511	14.6
123.00780	3.0
123.08096	2.2
125.02367	14.0
131.08577	3.0
133.02858	1.4
133.06512	1.9
135.04428	2.6
135.08105	2.5
137.05946	1.0
143.03406	1.2
144.05722	12.6
145.02788	1.5
148.05212	1.2
149.05937	1.4
149.09673	31.3
150.09996	1.2
151.07584	7.8
158.07327	0.9
159.02907	1.4
159.08105	11.5
161.02400	1.7
161.04498	11.7
161.06013	3.1
161.09636	2.0
163.03938	1.7
163.06279	1.0
163.07571	4.5
165.09167	2.0
166.99727	1.3
168.00609	2.9
169.01367	16.6
170.01686	1.6
173.02536	1.3
173.06049	1.7
173.09677	2.7
175.03961	2.7
175.11295	1.7
177.09178	100.0
178.09517	5.4
179.05605	1.5
179.10788	5.5
180.17349	1.0
188.08417	6.8
191.03583	1.7
191.05486	2.1
191.07141	1.1
191.10748	2.6
193.01262	1.1
193.12378	1.5
195.10307	1.8
203.03465	1.8
203.07399	1.4
203.10757	20.4
204.11047	1.3
205.08676	4.5
206.09451	3.2
209.11845	1.1
217.01364	2.9
221.11832	74.0
222.12167	4.5
239.12918	35.4
240.13213	3.9
245.00951	3.2
247.02686	1.4
270.98895	1.4
273.00354	1.8
275.02072	1.9
298.98441	1.7
299.99164	2.8
300.99936	10.4
307.10437	1.5
321.52551	1.0
366.02951	1.0
398.11047	3.0
399.11145	1.1
401.18243	66.5
401.37830	1.1
402.18436	9.2
433.04352	2.1
445.90247	1.2
461.03580	5.7
461.12909	3.4
462.03873	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	461.204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	18.5
60.99191	11.9
61.98718	0.6
65.00211	1.5
67.01763	0.7
70.36785	1.2
70.37145	1.3
71.01273	6.9
72.99201	4.3
73.02834	2.1
75.00765	5.1
80.32832	0.5
83.01282	1.5
85.02833	3.7
87.00768	3.3
88.00311	3.7
88.98702	100.0
89.02339	47.4
89.99038	1.3
90.01868	0.9
91.00261	1.3
93.03348	0.7
95.01292	1.2
97.02830	0.6
99.00770	1.1
101.02358	3.1
107.01276	4.2
108.02103	0.7
109.02847	1.6
111.00790	0.8
113.02374	3.2
119.03409	1.6
121.02870	1.2
123.00797	1.3
123.04391	0.5
125.02378	6.7
133.02820	0.9
137.02379	1.6
139.00267	0.9
140.01117	1.1
143.03363	0.7
145.02843	1.5
149.02377	1.5
151.00322	12.1
151.40025	0.5
152.00797	0.5
152.55190	0.6
153.01901	0.5
160.58685	0.6
161.02391	2.0
161.04501	1.5
163.00305	0.9
163.03957	0.7
168.00577	5.5
169.01399	7.7
170.01738	0.6
173.02377	0.5
175.00316	1.1
175.03918	0.6
177.00459	1.1
177.01894	11.0
177.56595	0.5
178.02333	0.8
178.99838	11.1
179.03326	1.2
179.05605	0.6
188.04147	0.7
189.01933	0.6
191.03421	0.5
193.01401	0.9
201.01904	0.6
202.99792	1.3
203.03471	1.1
205.01408	5.0
207.02884	0.7
207.10231	1.8
225.11339	1.0
227.03557	0.6
229.01382	0.6
230.99205	1.2
231.03011	1.0
232.02905	0.6
233.03914	0.6
239.13062	0.6
241.05029	0.7
243.03014	1.3
255.02994	3.8
259.02478	1.0
269.04611	0.8
271.02405	0.8
273.04077	0.8
281.17615	0.7
283.02588	3.2
284.03247	1.1
285.04037	0.8
287.02002	1.7
289.07312	1.1
291.01572	0.6
295.02393	0.8
298.04855	1.3
299.01947	0.9
299.05521	1.3
299.09137	0.7
300.99805	1.5
301.03418	1.1
307.08221	0.7
309.04486	1.3
311.01996	1.3
313.00015	1.4
313.03482	2.1
314.00485	1.0
315.01566	2.7
316.02173	0.9
317.02875	0.9
327.01407	1.3
328.02142	1.0
329.02948	2.0
339.01431	0.7
344.01279	0.7
357.02603	18.6
358.02963	2.6
371.20886	0.9
383.20944	0.7
385.04843	1.7
389.05273	1.5
399.12338	0.6
401.21759	2.2
417.04456	0.8
461.07144	29.7
461.24417	7.5
462.07706	5.3
462.24066	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98836	0.3
57.03324	0.8
59.01263	9.9
61.98706	1.8
64.31608	0.3
69.04036	0.3
71.01275	3.4
71.59243	0.3
72.99188	2.0
73.02856	0.7
73.99559	0.3
74.02373	0.4
75.00762	100.0
76.01105	0.7
83.04899	0.4
85.02847	1.7
87.00757	1.0
88.64720	0.3
89.02340	3.0
95.01313	0.5
97.02889	0.5
99.00774	0.7
101.02323	1.6
107.01268	1.3
109.02832	0.6
111.00774	0.5
113.02372	2.7
119.03423	1.1
123.00755	0.7
125.02371	4.9
135.04399	0.3
139.00291	0.7
149.05989	0.4
151.07631	0.5
153.09215	0.3
159.03076	0.5
161.04491	1.5
161.09653	1.3
163.03889	0.4
165.09174	1.1
166.99818	1.1
169.01387	7.0
173.02414	0.3
175.03966	1.0
177.05527	0.4
178.09842	0.4
178.99811	0.3
179.05566	1.4
179.10728	3.0
189.01964	0.4
189.65692	0.3
191.03499	0.4
193.01360	0.6
193.12334	1.2
203.03548	0.7
203.10724	4.2
204.11070	0.4
206.09427	1.7
217.01369	0.7
221.11839	26.4
222.12181	1.5
223.13470	0.4
239.12976	0.5
247.02507	0.9
270.98938	0.8
273.00592	1.0
275.02060	0.6
291.01556	0.5
298.98395	0.8
299.99213	0.8
300.99994	4.0
401.18594	0.7
433.03848	0.5
461.03690	1.0
462.04730	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03680	0.6
56.64786	0.5
59.01268	2.4
62.05255	0.6
69.62196	4.2
71.01273	2.4
73.02837	0.6
76.07731	0.6
80.26919	0.6
85.02845	0.8
87.00770	0.6
89.02310	0.8
95.01277	0.9
99.00797	1.4
101.02314	0.8
107.01280	2.5
111.00778	0.7
123.00781	2.5
124.01582	1.0
125.02370	13.6
139.00288	1.9
140.01067	2.5
147.06580	0.9
151.00299	2.5
167.03464	0.7
168.00566	8.3
169.01382	31.0
170.01688	1.2
183.02937	0.7
211.02480	54.3
212.02850	1.7
216.41681	0.7
225.19522	0.6
241.03581	1.3
271.04654	100.0
272.04990	6.7
313.05560	1.1
331.06784	32.3
332.06989	2.0
461.08679	24.7
462.09857	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	461.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71307	0.7
55.01762	3.0
56.38298	0.7
57.03328	2.3
58.00480	1.9
59.01266	49.4
69.03339	1.9
69.74512	2.1
69.74940	2.2
71.01270	48.4
72.01601	0.7
72.99194	2.8
73.02834	13.7
75.00767	0.9
78.19529	0.7
81.03347	0.7
83.00790	0.9
83.01266	7.7
85.02844	18.8
87.00764	2.9
89.02338	23.6
95.01277	2.5
97.02851	2.8
99.00769	4.9
101.02345	39.4
102.02691	0.8
111.00809	5.1
113.02360	16.5
114.02670	0.8
115.03918	1.7
119.03439	1.2
122.24248	0.8
123.00784	1.3
125.02370	8.1
127.02782	0.7
131.03412	12.3
132.03888	0.8
137.02390	1.0
139.00340	0.9
143.03412	2.5
148.60535	0.7
149.04472	5.3
159.02974	3.3
161.04509	11.8
166.99814	1.3
169.01416	5.2
173.04430	1.3
184.75586	0.7
191.03548	0.9
191.05455	0.9
233.06650	2.2
239.59892	0.7
242.99182	0.8
245.00937	1.0
269.07480	1.2
269.10373	22.6
270.10764	2.0
270.98929	3.1
273.00354	0.9
275.02206	1.2
293.08844	1.9
297.97583	0.9
298.98334	2.0
299.99173	2.1
300.99921	5.5
349.51257	0.9
401.14603	100.0
402.14996	9.7
461.03314	1.4
461.13272	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0739
Annotation	Stenophyllin
Peak:m/z	Relative Intensity
57.71114	0.3
59.01268	0.4
63.02280	2.0
65.00204	2.7
69.59145	2.7
71.01270	0.3
83.01287	3.1
85.76573	0.4
89.02322	0.5
93.03345	1.4
105.03351	1.0
107.00623	0.6
107.01302	7.9
108.01556	0.3
109.02859	0.5
111.47335	0.4
114.41912	0.3
121.02882	2.9
123.00754	0.6
123.04417	1.0
125.02372	6.8
126.02740	0.4
129.01785	0.3
131.01279	0.4
132.02049	0.4
133.02866	1.5
135.04434	0.5
135.95377	0.4
137.02330	1.1
145.02895	0.6
147.00835	1.0
149.02374	5.3
150.02715	0.4
151.00313	36.9
151.03897	1.0
152.00659	1.6
153.01886	0.7
155.04848	0.5
161.02382	4.0
163.00305	1.2
163.03914	0.7
165.01907	0.9
169.01398	7.7
171.04456	0.7
173.02412	0.6
175.00319	3.6
175.03938	1.2
176.01074	0.7
177.01894	38.2
178.02538	3.2
178.99828	40.2
180.00211	2.3
180.01602	0.3
183.04503	0.6
187.00409	0.5
187.03860	0.5
189.01895	1.8
191.03522	2.1
192.00502	0.4
193.01361	2.0
199.03995	1.7
201.01830	0.4
202.99835	4.9
203.03336	0.7
204.00290	0.4
205.01418	21.7
206.01880	1.4
207.02953	1.5
211.04050	1.0
213.05548	0.7
215.03438	1.5
217.01413	1.1
217.05133	0.9
219.03053	1.6
225.11415	0.4
227.03459	2.7
229.01469	0.5
229.05116	1.2
230.02127	0.5
230.99397	3.9
231.02968	0.9
231.99934	0.7
233.00816	0.6
235.02406	0.6
237.01988	0.4
237.04179	0.8
239.03432	0.9
241.05128	1.2
243.03015	3.6
245.00911	0.9
245.04633	1.6
247.02448	0.9
255.03030	3.0
256.03622	0.5
257.04681	1.9
258.01727	0.5
259.02481	1.3
267.03024	3.1
269.04779	0.8
269.98145	0.4
271.02475	2.0
272.03070	0.6
273.04135	1.5
279.91306	0.3
282.01685	0.5
283.02579	3.9
284.02621	0.4
285.00729	0.7
285.04117	2.7
287.02023	0.9
295.02554	3.4
297.04016	0.4
297.97678	1.8
299.02133	2.5
300.02484	0.7
300.99911	1.9
301.03586	4.1
302.03827	0.5
311.02075	8.1
312.02536	2.1
312.99954	3.6
313.03598	6.8
314.00650	3.7
314.03900	0.7
315.01498	1.0
316.02167	0.6
317.03036	3.0
325.03262	0.5
327.01538	3.9
328.02237	2.1
329.03107	12.2
330.03403	1.3
338.06921	0.4
339.01563	3.4
340.02243	0.7
343.01028	1.3
344.01318	1.6
345.01343	0.4
353.03247	0.4
356.01587	0.5
357.02597	73.2
358.02930	8.1
359.04227	0.9
369.02567	0.4
371.04059	1.4
387.03482	1.2
389.05231	3.8
390.05420	0.5
417.04941	0.7
439.03714	0.3
439.54208	0.5
443.06271	0.9
461.07376	100.0
462.07782	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	459.2613
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
57.03343	0.3
58.00475	0.3
59.01266	100.0
60.01601	1.1
61.98719	1.4
67.94794	0.2
70.16254	0.6
70.16655	0.4
71.01269	5.5
72.99209	0.3
73.02840	0.7
83.01276	0.4
85.02854	1.7
87.00783	0.5
89.02340	8.1
90.54825	0.2
91.48986	0.3
95.01313	0.5
99.00787	0.3
99.04447	0.3
101.02356	4.4
111.00793	0.3
113.02371	2.4
119.03416	3.7
121.44397	0.2
125.02364	1.1
131.03453	0.6
143.03488	1.0
149.04530	0.7
153.09181	0.4
161.04495	1.8
169.01437	0.8
179.05598	2.2
209.11905	0.6
210.71004	0.2
233.06680	0.3
235.78282	0.3
237.15059	0.4
289.18317	0.4
293.08817	0.3
307.19193	1.7
312.15964	0.6
325.20425	0.9
381.23056	0.2
399.24002	2.7
459.09457	1.2
459.26373	0.8
459.59769	0.4
470.53064	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.3
58.00470	0.5
59.01267	100.0
59.44202	0.2
60.01603	1.1
61.98728	1.6
71.01272	9.6
71.28657	0.4
72.99217	0.6
73.02840	0.7
83.01308	0.5
85.02848	1.9
87.00797	0.6
89.02341	14.1
90.02695	0.2
95.01291	0.5
99.00819	0.4
101.02346	6.8
103.73940	0.2
108.63560	0.2
113.02361	5.0
119.03419	6.4
121.02880	0.7
125.02390	0.4
131.03435	1.1
143.03445	1.7
149.04532	0.5
161.04503	2.9
169.01393	0.3
179.05574	4.3
195.15903	0.2
216.63643	0.2
219.17592	0.5
225.51581	0.2
295.67056	0.2
382.87415	0.2
399.23965	4.9
400.24649	0.6
404.30835	0.2
459.25891	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09072	4.7
55.82261	4.9
57.80681	4.7
58.23476	4.9
58.27642	5.2
59.01262	100.0
59.01545	3.8
61.98727	7.0
66.91319	4.9
71.01279	24.9
73.02840	6.7
85.02884	7.7
89.02339	16.1
93.61628	5.5
101.02348	22.0
113.02366	8.9
119.03458	10.8
120.96310	6.4
125.02386	9.6
169.01324	7.5
179.05367	6.4
212.08305	4.8
223.40176	5.2
322.36295	5.4
383.17319	6.8
399.23956	14.3
433.89355	6.3
459.31296	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	459.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.0
57.03319	1.8
58.00467	1.2
59.01264	41.7
61.98689	2.4
67.01759	1.0
69.03310	1.0
71.01268	29.9
71.61279	1.2
72.99176	2.9
73.02833	4.7
75.00743	1.1
80.52541	0.8
83.01242	3.6
85.02835	7.3
87.00738	3.9
89.01825	1.3
89.02332	18.0
93.03332	1.3
93.84789	0.7
95.01234	3.5
97.02817	1.4
99.00754	2.3
99.07470	0.9
99.08057	14.8
101.01720	1.2
101.02341	20.1
107.01305	6.7
107.40266	0.8
109.02858	1.0
111.00735	3.4
113.01633	1.0
113.02349	14.0
119.03414	9.1
123.00809	8.0
123.04380	1.2
124.01517	1.3
125.02370	27.4
126.02608	1.8
127.07590	4.0
129.09077	1.2
131.03415	1.1
137.02277	2.5
139.00204	3.8
140.01042	2.3
141.01756	1.3
141.09077	1.1
143.03398	1.6
145.04904	1.5
145.08640	62.1
146.08897	1.5
147.08032	1.5
149.09563	1.3
151.00288	6.7
151.03918	1.2
153.01788	1.1
159.04317	1.1
161.04521	11.6
162.01816	0.9
163.00197	1.5
163.04004	1.0
163.11226	51.6
164.11499	3.2
165.01967	1.0
168.00604	5.8
169.01370	32.1
170.01666	1.8
175.11290	1.0
177.01828	1.0
177.12772	1.3
187.09700	1.8
189.12730	2.7
191.03392	1.0
201.01889	1.1
201.12683	1.1
205.04933	2.0
211.02458	9.5
218.04054	0.8
218.84337	0.9
219.11981	1.4
219.13902	18.0
220.13969	0.9
233.04567	1.8
235.08223	32.6
236.08392	1.0
237.14815	0.9
271.04471	7.4
289.07101	1.0
291.91666	0.9
300.99951	5.0
302.00089	1.8
307.14047	66.9
308.14374	5.0
313.05499	2.5
379.73169	0.8
396.18256	0.9
410.48181	0.9
421.11478	12.1
423.11841	1.6
450.85254	1.0
459.14835	100.0
460.15570	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	459.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
60.01598	1.0
61.01418	0.2
61.98716	3.1
71.01282	1.4
71.61935	0.3
75.00786	0.3
85.02876	0.3
89.02349	0.9
89.72547	0.2
101.02370	1.0
107.04969	0.3
113.02366	0.6
119.03482	0.5
121.02879	11.9
121.22874	0.2
122.03222	0.4
123.00769	0.3
125.02406	0.6
153.30637	0.2
161.04541	0.6
169.01396	0.4
179.05583	0.3
181.06604	0.6
182.46461	0.2
225.05612	1.1
231.02925	0.2
237.14812	0.3
313.07227	2.4
313.09900	0.2
314.07779	0.5
357.06403	0.6
362.91336	0.2
399.24146	1.0
401.08862	8.6
401.14099	0.4
402.09177	0.8
448.97369	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.8
59.01262	4.3
61.98719	7.6
69.03336	1.9
69.45453	13.9
71.01284	4.5
72.99191	1.6
79.01820	1.5
82.02892	18.7
83.01295	1.3
85.02870	1.8
89.02354	1.7
95.01288	2.3
101.19065	1.5
105.76677	1.3
107.01313	7.8
109.02893	1.7
111.00809	2.2
115.41323	1.3
123.00804	13.6
125.01450	2.2
125.02368	42.6
127.00293	1.6
137.02420	2.0
139.00343	7.1
140.01057	3.3
141.01898	1.6
151.00308	11.4
161.02411	2.5
163.00421	1.5
163.03925	1.8
166.99873	2.5
167.03474	1.6
168.00591	6.6
169.01387	54.5
170.01762	2.8
171.11574	1.3
177.01859	1.7
178.16824	1.5
189.01820	1.6
190.05064	2.2
193.01312	2.3
211.02510	12.6
239.81319	1.4
241.03642	2.3
270.03964	9.0
271.04596	11.1
276.05170	1.9
300.99960	5.2
313.05740	6.1
336.07077	4.1
396.09448	100.0
397.09802	12.1
459.15131	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97692	0.4
70.26287	0.9
70.26688	0.7
99.92483	3.9
100.93276	1.1
104.60770	0.4
115.91986	100.0
116.91992	5.6
116.92779	5.3
131.26204	0.3
132.92262	1.1
145.41084	0.4
155.95036	0.4
172.95432	7.3
173.95508	0.5
178.87042	0.4
204.11673	0.4
283.26660	0.6
307.75989	0.4
383.19138	1.0
409.20660	1.2
439.21292	0.4
457.22794	7.0
458.22937	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	457.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74825	0.2
57.03336	0.4
57.63497	0.2
57.72928	0.2
58.00480	0.6
59.01265	100.0
60.01601	1.1
61.98721	0.9
71.01270	15.3
71.58804	0.4
72.01601	0.4
72.99194	1.2
73.02856	0.5
83.01265	0.6
83.13146	0.2
85.02841	1.8
86.28227	0.2
87.00771	0.8
89.02339	21.9
89.49999	0.3
90.02682	0.6
91.10701	0.3
94.18504	0.2
94.27086	0.2
95.01300	0.8
99.00819	0.3
101.02347	8.6
103.95119	0.2
113.02357	6.5
117.71256	0.2
119.03423	9.6
125.02399	0.7
126.65225	0.2
131.03477	1.3
143.03462	1.5
149.04556	0.7
159.03139	0.3
161.04474	2.6
169.01416	1.0
179.05579	4.9
180.06009	0.4
208.93315	0.3
215.18098	0.7
235.17303	0.3
250.61067	0.3
298.98248	0.2
397.22495	0.8
457.24844	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0791
Annotation	(-)-Gallocatechin gallate
Peak:m/z	Relative Intensity
55.01783	2.4
57.03342	6.4
59.01270	9.8
63.04331	1.1
65.00248	1.7
67.01783	4.9
69.03357	3.9
71.01261	7.0
71.17333	1.9
74.97212	1.2
78.07705	1.1
81.03374	2.7
83.01269	9.1
83.04917	2.3
85.02863	3.6
87.00791	1.9
89.02374	4.4
89.23374	1.0
92.58150	1.1
93.03391	4.0
95.01281	10.5
95.04930	1.9
97.02849	8.1
99.00793	9.8
99.04453	2.5
101.02374	3.6
101.65109	1.1
107.01305	6.0
108.02148	1.4
109.02876	24.0
111.00794	35.9
111.04458	1.3
112.01150	1.9
113.02373	4.5
117.03445	2.0
121.02903	4.4
121.17015	1.2
122.03716	1.2
123.00805	34.9
123.04454	10.1
124.01655	2.8
124.04887	1.3
125.02374	100.0
126.02730	4.7
127.03880	1.1
127.15148	1.0
131.05016	1.0
133.02905	2.1
135.04456	8.5
136.98752	1.5
137.02380	43.4
138.03120	2.6
139.00313	63.0
139.03951	5.6
140.01154	8.9
141.01888	10.9
145.02933	3.1
147.04498	1.8
148.52287	1.1
149.02419	7.5
150.03125	1.9
151.00325	16.4
151.03964	11.4
152.01100	1.2
153.01907	10.1
157.06566	1.2
159.04474	7.0
161.02408	17.3
161.06065	2.7
162.03194	5.0
163.03976	2.7
164.01213	2.0
165.01907	9.3
165.05548	2.1
166.02617	3.4
166.99828	87.6
167.03539	5.9
168.00560	5.8
169.01396	98.9
169.11147	1.1
170.01778	3.7
173.04660	2.3
173.06090	3.6
175.04031	3.9
177.01894	1.5
177.05591	3.9
179.03545	2.2
182.99315	6.7
183.03027	1.3
183.04582	1.6
184.00128	5.7
185.00905	44.1
186.01320	1.5
187.04022	2.7
191.03603	2.3
192.03703	1.1
192.87209	1.3
193.01454	3.4
195.02908	1.6
197.06171	1.4
199.04041	2.0
201.05644	3.7
203.03574	4.3
203.07184	1.7
205.05136	3.1
217.05061	1.4
217.08830	1.3
219.06664	5.3
227.03595	2.0
228.91505	1.2
230.02000	1.0
241.05142	1.4
243.06648	6.2
247.13995	1.2
257.04688	1.4
261.07791	1.8
269.04742	3.7
271.06226	5.0
274.01373	1.2
275.05652	3.5
287.05637	16.9
289.07239	8.2
301.00052	2.9
301.03430	2.6
303.05316	3.4
304.05969	1.6
305.06735	87.8
306.07047	7.6
331.04642	1.5
331.99292	1.2
408.77673	1.3
439.06863	1.6
457.08267	5.8
457.17456	43.3
458.07587	1.3
458.17908	3.1
478.14371	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01330	0.1
59.01247	0.1
66.16160	0.1
125.92162	0.1
128.04550	0.1
187.28413	0.1
226.59813	0.1
229.37552	0.1
377.28650	0.1
405.31360	0.1
407.33264	1.1
408.33203	0.2
455.35410	100.0
456.35764	18.2
461.49030	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	457.0787
Annotation	Epigallocatechin Gallate
Peak:m/z	Relative Intensity
51.02308	0.1
57.03341	2.2
58.54393	0.2
59.01262	0.4
61.98734	0.2
64.07363	0.1
65.00232	0.1
67.01781	0.5
69.03342	1.7
71.01263	0.3
79.01773	0.3
81.03352	0.6
82.08715	0.1
83.01289	0.8
93.03384	0.4
95.01286	0.8
95.04944	0.4
96.95908	1.9
97.02856	1.5
98.20635	0.4
101.02362	0.2
105.03399	0.5
107.01292	1.2
107.04952	0.2
109.02859	1.2
111.00816	0.3
112.77035	0.1
119.05037	0.1
121.02879	0.3
123.00805	1.9
124.01604	0.7
125.02369	63.6
126.02710	2.1
133.02930	0.3
133.05421	0.1
136.98892	0.2
137.02400	2.2
138.03168	0.2
139.00276	0.4
139.03931	1.1
140.00987	0.1
149.02405	0.5
149.06012	0.1
151.00369	0.2
151.03920	0.4
153.41628	0.1
159.04491	0.2
161.01074	0.3
161.02397	4.6
162.02803	0.2
164.01103	0.4
165.01886	1.7
166.02634	0.3
166.99821	1.1
167.03464	1.5
168.00607	0.9
169.01379	100.0
170.01727	3.6
170.03221	0.2
173.04475	0.2
175.03926	0.4
177.01935	0.4
177.05536	0.7
179.03433	1.1
183.04382	0.2
184.00829	0.1
193.01396	2.4
194.80678	0.2
201.05611	0.2
203.03468	0.3
204.04245	0.3
205.01450	0.5
211.02402	0.3
219.06694	0.7
221.04539	0.5
225.05588	0.2
229.01566	0.2
230.31383	0.2
230.33716	0.2
243.06694	0.2
261.07724	0.2
269.04715	1.0
271.04654	0.3
275.05869	0.2
287.05737	1.0
288.05997	0.2
300.99948	0.3
305.06723	6.2
306.07089	0.3
319.04617	0.3
331.04636	1.8
332.04874	0.2
384.56015	0.2
457.07724	1.3
457.13162	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81526	0.7
55.01764	1.8
56.79259	0.7
57.03332	1.4
58.00484	1.2
59.01267	39.4
61.98710	1.9
71.01270	31.1
71.58266	1.3
72.99194	1.7
73.02834	11.0
78.95770	0.9
83.01278	5.9
85.02843	12.1
87.00777	2.4
89.02336	15.0
90.00014	0.7
95.01308	1.8
96.95884	0.9
97.02850	2.1
99.00797	4.6
100.54180	0.6
101.02348	30.1
107.01299	1.6
109.02859	0.8
111.00808	4.0
113.02355	8.7
119.03426	1.0
119.04964	0.9
120.08261	0.7
123.00806	2.7
125.02356	8.1
127.00166	0.7
129.01901	1.4
131.03421	8.5
132.03740	0.7
133.64778	0.8
137.02353	1.3
138.08505	0.9
139.00314	1.4
141.01845	1.2
143.03477	2.4
145.02953	1.2
147.04446	2.9
149.04501	3.1
151.00394	0.9
159.02946	1.3
161.02428	1.3
161.04503	5.4
166.99750	0.8
169.01347	6.3
179.03455	0.9
211.02487	1.5
214.26822	0.8
217.01602	1.0
233.06662	1.5
247.02527	1.1
263.15076	27.8
264.15311	1.6
271.04669	2.3
273.00571	2.1
291.10364	0.9
293.08698	0.9
300.99960	3.3
302.00223	1.5
303.05099	1.1
395.19299	100.0
396.19653	10.7
425.46362	0.8
437.11099	1.7
455.06265	0.9
455.11526	2.3
455.16574	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25590	0.7
55.01771	3.2
57.03359	1.6
58.00475	1.0
59.01266	57.6
60.01608	0.9
61.98736	0.7
68.01332	0.7
69.61854	5.0
71.01273	29.1
72.99211	1.3
73.02837	13.8
75.00772	1.3
76.48123	0.6
83.01283	9.4
85.02847	15.8
86.00017	0.9
87.00785	1.1
89.02354	5.4
94.57730	0.6
95.01289	1.8
96.95918	3.5
96.96895	0.7
97.02851	1.0
98.20531	0.9
99.00785	5.1
101.02350	36.6
103.03916	1.5
107.01369	0.7
111.00815	1.2
111.71130	0.7
113.02361	13.0
118.34590	0.6
119.03470	0.9
125.02399	2.7
141.01865	1.3
143.03436	2.0
151.18719	0.7
159.03014	3.7
161.04521	12.1
163.06104	1.0
169.01421	2.0
211.43509	0.6
247.02301	0.7
249.13477	68.3
250.13763	3.7
292.45786	0.7
293.12598	0.8
300.99902	1.5
385.98038	0.6
395.19305	100.0
396.19626	11.0
455.15659	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16421	0.4
53.79265	0.5
55.96675	0.4
56.50879	0.6
57.03336	15.5
59.01268	8.1
60.53021	0.4
61.98719	1.4
69.03342	1.9
69.34121	4.2
71.01278	2.7
73.02851	0.5
81.03355	4.2
83.01280	9.6
85.02863	0.6
89.02352	1.0
93.03355	1.8
95.04928	1.6
97.02853	4.7
98.20606	1.0
101.02347	2.1
105.03423	0.6
107.01294	0.8
108.02101	1.1
109.02863	19.4
110.03198	0.5
111.00806	1.9
113.02389	1.1
117.03410	1.2
119.03387	0.4
121.02863	3.2
122.03661	0.8
123.04436	13.0
124.01601	0.9
125.02367	100.0
126.02692	3.1
127.98505	0.4
131.05011	0.8
133.02875	0.7
133.06564	0.6
135.04430	2.2
137.02376	63.4
138.02675	2.1
139.03934	2.2
139.97470	0.4
143.04988	0.7
145.02890	25.6
146.03696	3.9
149.02385	8.9
150.03206	4.3
151.03949	11.2
157.06529	1.0
159.04446	10.7
160.05182	1.4
161.02417	1.3
161.04561	1.1
161.06012	9.6
162.03194	1.3
162.06429	0.5
163.03972	1.1
164.01128	1.9
165.01881	5.1
167.03445	1.4
167.04930	1.0
169.01306	0.5
173.06024	0.8
174.03152	0.7
175.03963	2.3
175.07584	1.6
179.03453	5.0
183.04439	2.5
183.10226	1.3
184.05251	0.7
185.02467	0.8
185.06055	6.4
187.03958	8.8
188.04697	2.6
197.06035	0.6
199.07620	1.5
201.05585	3.1
202.06201	0.9
203.07115	14.2
204.07520	0.8
205.05057	6.3
209.06078	1.8
211.04001	1.9
212.04791	0.6
213.02023	0.6
217.08649	0.7
221.08269	2.5
225.05582	1.3
227.03447	0.8
227.07188	4.7
229.05101	1.5
230.02264	1.4
233.11894	1.0
245.08202	14.5
246.08566	0.9
247.06157	0.7
253.05060	9.4
254.05377	1.0
270.05502	0.5
271.06171	43.6
272.06464	3.5
289.07245	89.1
290.07565	7.6
305.14005	1.5
307.17715	2.7
317.14047	2.0
369.16592	0.7
411.18143	4.4
455.17096	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65489	0.4
55.01774	0.8
55.71763	0.4
57.03345	0.7
59.01271	2.2
61.98706	0.9
65.00204	0.6
65.97013	0.3
67.01785	1.6
68.99716	0.6
69.03337	1.6
71.01276	3.6
71.59939	0.4
72.99209	0.9
73.02827	0.5
79.01782	0.8
81.03348	0.7
83.01271	1.6
85.02860	1.5
87.00799	0.7
89.02372	0.5
93.03329	0.5
95.01283	3.8
97.02865	1.1
99.00789	1.8
101.02348	1.0
107.01295	5.9
108.01554	0.5
109.02882	1.9
110.02446	0.5
111.00800	9.7
113.02386	1.0
121.02899	0.7
123.00796	15.7
123.04422	0.9
124.01628	0.8
125.02370	43.3
126.02701	1.8
127.00286	1.4
133.04997	1.0
135.04449	0.8
136.98746	1.5
137.02364	3.3
138.01907	2.2
139.00301	13.9
139.03894	0.5
140.01083	4.3
140.02258	0.7
140.07108	44.9
141.01878	7.6
141.07442	1.5
145.02910	1.2
147.04440	0.7
149.02412	0.8
150.03189	0.6
151.00310	13.2
151.03923	1.0
152.00775	0.6
153.01878	4.9
154.99739	0.5
159.04453	1.2
161.02359	4.3
162.03133	0.6
163.00314	0.5
163.03970	0.9
164.01250	0.5
164.98302	0.6
165.01880	1.3
166.99811	2.7
167.03403	0.9
168.00606	4.3
169.01382	50.5
170.01712	2.4
171.04486	0.9
173.02391	0.6
173.05977	0.5
175.03967	1.8
179.03427	1.1
180.00566	0.7
181.98463	0.4
182.99312	5.2
183.04594	0.5
185.00790	0.4
185.06065	1.0
187.03987	0.8
189.01927	0.8
193.01434	0.8
199.03996	1.3
201.01863	0.5
201.05594	0.6
203.03484	1.0
211.02428	1.4
211.04169	0.7
213.05577	1.4
215.03531	0.5
217.01392	0.7
217.05089	1.4
227.03502	0.9
241.03502	1.3
243.03044	0.8
245.00908	1.0
255.02998	1.2
257.04538	1.9
259.02722	0.6
261.04144	0.8
273.00513	1.9
273.04092	3.5
284.03314	0.5
285.04083	4.2
289.07010	0.5
290.00977	0.5
300.99936	1.2
301.03275	0.6
302.04318	0.5
303.05164	9.9
313.05762	8.7
314.06110	1.1
315.06308	1.6
345.76794	0.4
395.19257	0.9
411.07065	0.5
452.11292	0.6
454.13666	100.0
455.07098	1.0
455.14066	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	453.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31220	0.9
55.01777	1.1
58.00470	2.6
59.01264	100.0
69.03351	1.4
69.26252	10.5
71.01270	27.5
72.99192	4.1
73.02834	14.5
75.00766	1.1
78.30766	0.9
81.03362	1.3
83.00821	1.2
83.01283	4.2
85.02860	8.8
87.00768	5.7
89.02338	40.7
93.03362	3.5
95.01274	1.7
97.02845	3.7
98.20510	1.8
101.01692	2.4
101.02346	45.3
103.03902	13.7
107.01295	2.1
107.04942	1.2
109.02876	9.5
113.02356	8.6
115.03913	3.0
119.03427	15.2
119.04936	9.2
121.02865	1.6
123.00790	1.1
123.04446	7.9
125.02378	15.8
127.03902	1.3
131.03432	8.4
133.06482	1.3
135.04460	1.3
137.02365	4.4
139.03917	1.3
143.03407	12.8
145.02873	1.4
145.04976	3.7
146.03703	1.3
149.02351	2.1
151.03970	5.6
158.12965	1.1
161.02332	1.6
161.04604	1.6
161.06024	4.3
163.03894	2.7
163.06070	70.9
164.06398	3.3
165.01820	3.0
169.01405	12.7
169.23248	1.2
170.01619	1.2
175.03995	1.4
177.01903	1.4
179.03511	2.2
179.05568	6.6
187.03960	1.9
189.01953	1.2
191.03415	1.6
201.01634	1.5
202.89491	1.0
203.03426	1.9
203.07135	9.6
204.07516	1.2
205.05063	5.4
205.07133	18.7
217.01366	1.4
229.05167	1.6
231.02917	1.6
245.00984	2.1
245.08160	5.4
247.02562	5.9
247.06100	2.0
247.11914	5.0
265.09293	9.7
273.00378	3.7
289.07260	40.8
290.00909	1.6
290.07574	3.4
291.01447	2.5
299.65060	1.1
300.99869	6.1
309.05777	1.0
315.08817	9.9
341.06696	2.0
355.68246	1.1
393.17728	46.8
394.18185	5.4
435.10861	2.0
453.06406	2.8
453.11826	11.7
454.05148	1.4
454.12558	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	453.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.1
59.01263	3.0
61.98720	3.0
68.99100	0.1
69.03338	0.1
69.30217	0.8
69.30640	0.5
71.01270	1.8
72.99206	0.2
74.31507	0.1
78.95783	0.2
83.01277	0.2
85.02853	0.3
86.18765	0.1
89.02335	1.5
93.03341	0.1
95.01297	0.2
96.95936	0.3
101.02373	0.6
107.01305	0.2
108.30585	0.1
109.02876	0.4
113.02370	0.6
119.03428	0.4
120.99574	100.0
121.99947	1.5
125.02380	0.9
126.02768	0.1
135.04437	0.3
137.02393	0.7
138.02730	0.3
159.04489	0.1
161.02415	0.2
161.04442	0.1
169.01396	0.6
175.03929	0.2
177.01942	0.1
179.03453	0.3
179.05606	0.1
180.03891	0.2
203.03577	0.2
226.05952	0.1
245.00966	0.1
247.02673	0.2
270.52698	0.1
273.00534	0.3
273.11847	0.8
274.12085	0.1
289.07303	0.2
290.07721	0.2
291.07794	0.4
301.00015	0.6
361.59344	0.1
393.24722	0.3
453.11160	0.3
453.18207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.4
57.03336	1.1
58.00483	3.5
59.01268	92.6
60.01597	1.8
61.98712	2.0
67.01766	0.9
69.28094	8.7
69.28507	2.0
71.01273	60.3
72.99209	5.4
73.02843	9.8
81.03361	0.9
83.01275	3.6
85.02847	9.7
86.60783	0.9
87.00790	7.7
89.02341	100.0
90.02661	1.5
95.01293	1.2
96.95930	1.4
97.02849	1.9
97.09180	1.0
98.20500	2.1
99.00797	1.2
101.02354	42.7
102.02702	1.3
107.01301	6.6
109.02848	1.5
111.00842	1.9
111.30283	0.9
113.02357	10.8
119.03432	6.0
119.04934	1.7
123.00782	2.7
125.02382	17.2
126.02737	1.4
127.47558	0.8
131.03429	40.0
132.03748	1.4
133.04955	1.7
137.02374	1.6
139.00252	1.8
143.03464	2.6
145.02908	1.2
148.97374	0.9
149.04506	90.2
150.04858	2.0
151.03951	1.4
159.04480	1.2
161.04549	2.1
161.06004	1.0
163.00333	1.2
163.03792	1.1
166.43446	0.9
166.99770	1.9
168.00618	1.0
169.01382	21.1
170.01686	2.2
175.03888	1.3
179.05551	2.8
189.01799	1.2
191.03760	1.4
191.05594	20.2
195.50648	1.0
203.03526	1.1
205.04965	1.1
219.02695	1.1
229.01347	1.1
245.00797	1.7
246.01546	2.0
247.02484	3.6
248.02917	1.2
249.03548	1.0
251.07791	1.4
257.01025	1.1
261.13504	1.3
273.00433	3.8
275.02072	1.3
279.16415	0.9
289.07239	3.4
290.00690	3.5
291.01468	1.2
293.08981	1.4
300.99982	13.4
302.00247	3.0
311.09940	1.7
315.08810	1.1
393.17767	64.6
394.18161	7.5
453.06839	3.3
453.13388	3.9
453.23193	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41580	0.6
55.54274	0.7
57.03304	2.5
57.82938	0.7
59.01265	6.4
60.06495	0.6
61.98694	2.4
63.15689	0.7
64.78556	0.6
66.00472	0.6
67.01748	1.0
69.03302	1.2
69.71514	2.3
69.71946	2.3
71.01270	3.4
81.03326	2.8
83.01283	7.1
85.02818	1.6
89.02309	2.3
91.45245	0.7
93.03369	7.7
95.01254	2.3
95.04900	3.1
97.02347	0.8
97.02858	9.4
101.02320	1.8
107.01290	4.3
107.04926	1.9
108.02069	1.1
109.02869	28.9
110.03212	0.7
110.17902	0.6
111.00829	0.8
113.02319	1.1
115.83152	0.6
117.03383	1.0
119.04952	25.8
120.05248	1.3
121.02876	4.7
122.03607	2.4
123.00800	4.0
123.04450	21.3
124.04729	0.9
125.02372	29.0
126.02660	1.5
131.04904	0.8
133.04942	1.0
133.06538	3.4
133.07326	0.7
135.04439	4.6
137.01399	1.2
137.02382	17.8
138.02840	0.9
139.00230	1.3
139.02895	1.2
139.03926	5.3
141.01880	0.8
143.03348	0.9
143.04958	1.8
145.02919	5.3
146.03645	2.2
147.04489	1.7
149.02400	7.7
149.06093	0.8
150.03024	1.3
151.03944	14.4
153.01843	0.7
158.03601	0.8
159.04485	4.5
159.08075	3.0
160.05281	1.1
161.02397	4.7
161.06036	14.0
162.03128	3.2
162.06303	0.8
163.00354	0.8
163.03941	6.2
164.01117	3.6
164.04359	0.7
165.01904	11.1
165.05525	1.9
166.99814	0.9
167.03412	1.7
168.00575	1.0
169.01384	19.5
170.01654	2.4
171.01781	0.8
173.02350	1.2
173.05943	1.0
174.03178	0.7
174.05200	0.7
175.03905	3.2
175.07597	0.8
177.01869	2.6
177.05545	1.3
179.03453	8.1
180.04189	4.0
185.06078	1.5
187.03987	6.7
188.04707	4.2
189.01906	2.0
190.02678	1.5
191.03500	3.3
194.05838	0.9
195.06573	3.1
199.07600	1.3
201.01854	1.0
201.05476	1.8
202.06332	1.3
203.03374	1.7
203.07135	26.6
204.07465	1.4
205.05043	15.8
206.05423	1.1
210.05301	1.0
213.05516	0.8
217.01376	3.1
217.08693	0.9
219.03113	0.8
221.08211	3.0
225.07597	4.1
227.07085	2.2
229.05051	1.4
229.08662	2.0
231.02954	3.8
245.00746	1.3
245.08232	17.9
246.08565	1.5
247.02481	4.7
247.06129	2.7
271.06171	1.0
271.09796	1.6
273.00458	4.2
275.02094	2.0
283.99933	0.8
289.07266	100.0
290.00818	1.8
290.07608	7.9
291.01501	2.1
300.99982	11.2
301.07343	2.2
302.00308	1.5
314.06140	0.9
315.08871	26.9
316.09201	2.5
323.13095	1.0
329.06393	0.7
341.06769	6.0
365.13837	1.0
405.15582	1.7
407.19080	1.2
409.13077	1.2
435.10861	4.6
438.53790	0.9
453.12280	24.9
453.18570	1.7
454.12610	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	453.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41580	0.6
55.54274	0.7
57.03304	2.5
57.82938	0.7
59.01265	6.4
60.06495	0.6
61.98694	2.4
63.15689	0.7
64.78556	0.6
66.00472	0.6
67.01748	1.0
69.03302	1.2
69.71514	2.3
69.71946	2.3
71.01270	3.4
81.03326	2.8
83.01283	7.1
85.02818	1.6
89.02309	2.3
91.45245	0.7
93.03369	7.7
95.01254	2.3
95.04900	3.1
97.02347	0.8
97.02858	9.4
101.02320	1.8
107.01290	4.3
107.04926	1.9
108.02069	1.1
109.02869	28.9
110.03212	0.7
110.17902	0.6
111.00829	0.8
113.02319	1.1
115.83152	0.6
117.03383	1.0
119.04952	25.8
120.05248	1.3
121.02876	4.7
122.03607	2.4
123.00800	4.0
123.04450	21.3
124.04729	0.9
125.02372	29.0
126.02660	1.5
131.04904	0.8
133.04942	1.0
133.06538	3.4
133.07326	0.7
135.04439	4.6
137.01399	1.2
137.02382	17.8
138.02840	0.9
139.00230	1.3
139.02895	1.2
139.03926	5.3
141.01880	0.8
143.03348	0.9
143.04958	1.8
145.02919	5.3
146.03645	2.2
147.04489	1.7
149.02400	7.7
149.06093	0.8
150.03024	1.3
151.03944	14.4
153.01843	0.7
158.03601	0.8
159.04485	4.5
159.08075	3.0
160.05281	1.1
161.02397	4.7
161.06036	14.0
162.03128	3.2
162.06303	0.8
163.00354	0.8
163.03941	6.2
164.01117	3.6
164.04359	0.7
165.01904	11.1
165.05525	1.9
166.99814	0.9
167.03412	1.7
168.00575	1.0
169.01384	19.5
170.01654	2.4
171.01781	0.8
173.02350	1.2
173.05943	1.0
174.03178	0.7
174.05200	0.7
175.03905	3.2
175.07597	0.8
177.01869	2.6
177.05545	1.3
179.03453	8.1
180.04189	4.0
185.06078	1.5
187.03987	6.7
188.04707	4.2
189.01906	2.0
190.02678	1.5
191.03500	3.3
194.05838	0.9
195.06573	3.1
199.07600	1.3
201.01854	1.0
201.05476	1.8
202.06332	1.3
203.03374	1.7
203.07135	26.6
204.07465	1.4
205.05043	15.8
206.05423	1.1
210.05301	1.0
213.05516	0.8
217.01376	3.1
217.08693	0.9
219.03113	0.8
221.08211	3.0
225.07597	4.1
227.07085	2.2
229.05051	1.4
229.08662	2.0
231.02954	3.8
245.00746	1.3
245.08232	17.9
246.08565	1.5
247.02481	4.7
247.06129	2.7
271.06171	1.0
271.09796	1.6
273.00458	4.2
275.02094	2.0
283.99933	0.8
289.07266	100.0
290.00818	1.8
290.07608	7.9
291.01501	2.1
300.99982	11.2
301.07343	2.2
302.00308	1.5
314.06140	0.9
315.08871	26.9
316.09201	2.5
323.13095	1.0
329.06393	0.7
341.06769	6.0
365.13837	1.0
405.15582	1.7
407.19080	1.2
409.13077	1.2
435.10861	4.6
438.53790	0.9
453.12280	24.9
453.18570	1.7
454.12610	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	453.105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.2
57.93674	0.2
59.01268	1.2
65.00223	0.4
67.01781	0.8
68.99700	0.5
69.03344	0.8
69.34616	2.2
71.01275	3.5
71.48013	0.2
72.99191	0.5
73.02840	0.6
75.00777	0.4
75.25341	0.2
79.01790	0.7
81.03337	0.3
82.33856	0.2
83.01292	1.5
85.02857	1.3
87.00757	0.5
89.02304	0.3
93.03390	0.4
95.01273	1.5
97.02837	1.0
99.00765	0.6
101.02343	1.5
107.01295	5.1
109.02871	0.5
110.00008	0.3
111.00793	3.5
113.02354	1.5
121.02827	0.3
123.00798	15.4
123.04408	0.5
124.00244	0.3
124.00657	0.3
124.01591	13.9
125.02371	33.1
126.02693	1.3
127.00304	1.1
133.02863	0.2
136.98732	2.3
137.02417	0.8
138.03154	1.6
139.00305	5.3
139.03943	6.6
140.01099	3.7
140.04257	0.3
141.01913	1.4
145.02823	0.2
149.02420	0.4
151.00316	6.8
151.01526	0.4
151.03954	0.6
152.00650	0.3
153.01878	0.6
154.99821	0.3
161.02383	0.4
161.04477	0.3
163.00342	0.5
163.03984	0.6
164.01074	0.2
165.01889	0.8
166.02719	0.2
166.99821	1.7
167.03410	0.6
168.00604	7.7
169.01378	45.0
170.01718	2.0
175.03922	0.3
179.03448	0.6
181.01369	0.3
181.05037	0.3
183.01382	0.2
183.02954	3.2
190.02701	0.3
191.03462	0.6
193.90250	0.2
201.01913	0.2
211.02507	1.5
211.20738	0.2
217.01448	0.6
219.02914	0.2
223.02556	0.4
225.04080	0.5
241.03561	0.7
244.00128	0.3
245.00960	0.5
246.01692	0.4
247.02492	2.7
253.03589	0.7
257.00821	0.3
271.04639	0.5
273.00433	1.3
275.02039	0.4
285.06244	0.2
289.07324	0.6
290.00766	0.6
291.01465	0.8
295.04547	0.2
297.06210	2.1
298.06448	0.4
299.99072	0.3
300.99960	2.7
302.00345	0.5
313.05728	7.7
314.06140	0.8
327.07462	1.4
409.07880	0.3
453.10492	100.0
454.10849	11.5
458.36630	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51710	0.2
59.01250	0.8
71.01263	0.9
71.36601	0.3
71.36946	0.4
72.99183	0.4
78.95795	82.9
79.95647	0.3
80.37980	0.2
83.08960	0.3
85.02841	0.4
87.00780	0.8
89.02330	1.0
96.95909	10.1
96.96866	4.5
99.00802	0.3
101.02336	0.5
105.01817	0.3
110.98441	100.0
111.98758	0.5
113.02361	0.6
117.01791	0.4
119.03458	0.3
126.57318	0.2
129.01843	0.4
145.01363	0.6
147.02873	0.3
156.05438	0.3
159.02930	0.3
163.03931	0.3
171.02631	0.3
175.02528	0.3
179.05547	0.4
185.78557	0.2
191.05533	0.4
205.05048	0.6
226.63083	0.3
249.04118	0.4
255.91408	0.3
259.02527	0.2
303.88449	0.2
329.56372	0.2
337.02023	1.2
341.10843	0.6
355.03009	0.8
355.08960	0.4
453.10416	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	453.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03338	1.1
70.06284	0.7
71.01260	1.2
71.61946	1.2
75.68386	0.9
78.95798	83.0
86.30127	0.9
89.02370	1.0
89.52361	0.8
93.42706	0.9
96.95919	5.4
107.01276	1.5
110.98444	100.0
121.02780	1.0
123.00783	1.1
124.01436	1.1
125.02390	4.7
145.02843	1.7
147.04477	1.6
149.02296	1.6
159.04434	1.2
161.02367	0.8
161.05952	1.3
163.03897	2.3
168.00529	1.4
169.01404	9.5
173.04430	3.0
175.03923	4.0
179.07101	1.0
181.04958	1.6
189.01746	1.1
190.02696	10.1
191.03514	5.2
191.05037	1.0
191.05569	0.7
202.02628	1.2
203.02048	1.2
203.03517	11.1
204.03752	1.0
205.04982	1.7
216.99738	0.9
217.01436	9.9
218.00452	0.9
218.02205	9.0
219.02873	2.8
245.00960	2.1
245.99185	1.4
246.01738	41.1
247.02510	98.3
248.02875	5.5
249.03833	1.2
273.00406	3.2
280.72260	0.8
290.00629	2.6
291.01547	5.3
299.62070	0.9
300.99796	3.3
337.01941	3.7
353.39084	0.9
355.02908	3.6
365.08661	1.2
409.07840	41.6
410.07907	4.0
453.06558	36.5
454.07184	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	453.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	0.4
63.30088	0.3
71.45673	0.5
71.46004	0.5
73.70423	0.3
80.35633	0.3
88.98688	0.6
89.02360	0.5
96.95966	0.4
105.03390	0.6
106.04180	0.9
107.01311	0.6
109.02859	0.7
111.00808	0.7
119.04944	0.9
121.02866	0.8
123.00834	0.7
124.01570	0.5
125.02383	3.0
126.02689	0.4
131.04971	0.6
133.02893	0.7
137.02438	0.6
139.00314	1.2
145.02922	0.9
146.03661	1.0
147.04460	2.2
149.02354	0.6
159.04449	1.3
161.02394	1.3
163.03975	0.7
165.01845	0.3
169.01402	2.9
173.02440	1.4
174.03137	2.3
175.00352	0.4
175.03967	11.6
176.04350	1.1
177.05521	1.0
178.20969	0.3
189.01909	2.4
190.02695	13.8
191.03468	5.6
201.01820	0.7
202.02722	1.4
203.03491	13.6
204.03871	1.2
205.01509	0.4
217.01436	14.9
218.02199	15.0
219.02946	3.1
221.04576	1.5
229.01463	0.6
245.00963	0.9
246.01736	54.0
247.02504	100.0
248.02855	6.4
273.00439	1.5
278.00674	0.7
289.07297	0.5
290.00711	2.4
291.01544	3.2
291.07864	0.8
297.37045	0.4
300.99857	1.0
313.05835	0.5
390.11243	0.4
391.06061	0.4
409.07852	36.6
410.08069	4.0
453.06781	33.4
454.07065	4.0
475.67719	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.87154	0.1
71.01279	0.1
71.07088	0.1
71.09647	0.1
71.09989	0.1
98.20235	0.1
105.03380	0.1
106.04145	0.3
107.01306	0.1
118.50771	0.1
119.04944	0.2
121.02843	0.2
123.00811	0.2
125.02374	0.3
131.04878	0.1
133.02856	0.3
135.04471	0.2
137.02399	0.1
138.03174	0.1
139.04015	0.1
145.02849	0.5
146.03630	0.1
146.96512	0.1
147.04439	0.8
150.74661	0.1
159.04526	0.2
161.02393	0.3
162.03268	0.1
163.03957	0.6
169.01324	0.5
173.02405	0.9
174.03125	0.1
175.03955	0.8
176.01181	0.1
177.01839	0.2
189.01880	0.9
190.02687	5.2
191.03468	4.5
192.00706	0.1
192.03873	0.2
201.01906	0.2
202.02725	0.1
203.03429	0.6
205.01321	0.2
217.01424	5.2
218.02202	4.7
219.02974	2.7
220.03326	0.1
229.01460	0.3
245.00948	0.3
246.01743	19.6
247.02507	100.0
248.02856	7.0
248.05560	0.2
253.86188	0.1
258.54794	0.1
259.02457	0.1
273.00537	0.4
278.00681	0.2
289.07083	0.1
291.01547	0.3
291.07654	0.1
301.00006	0.1
309.45929	0.1
313.10632	0.1
348.95001	0.1
367.54935	0.1
409.07837	10.2
410.08060	1.3
453.06812	16.2
454.07132	2.1
472.81296	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2792
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
59.01243	0.2
62.96291	0.2
74.16670	0.1
78.95795	19.3
81.35360	0.2
96.96899	0.2
98.19756	0.3
104.97329	0.2
109.46339	0.1
122.00052	0.8
122.98429	0.1
134.98453	0.3
140.01122	5.8
152.99536	2.1
169.01445	0.1
169.35793	0.1
171.00565	0.4
196.03778	9.3
197.04155	0.3
214.04842	1.9
229.52325	0.1
237.22211	0.2
255.23328	100.0
256.23666	9.3
402.58615	0.1
452.27914	31.8
453.28311	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	453.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.4
63.71577	0.2
70.47323	0.2
70.77724	0.4
70.78094	0.4
71.01259	0.3
72.99183	0.2
83.01286	0.2
90.52390	0.2
95.01286	0.4
96.95942	0.3
97.02872	0.2
104.10415	0.2
105.03408	0.3
106.04234	0.3
107.01302	1.1
109.02886	0.3
111.00814	0.3
117.03358	0.3
119.04952	0.7
123.00819	0.8
123.04402	0.3
124.01608	0.3
125.02367	3.4
126.02743	0.2
131.04980	0.2
133.02895	0.5
137.02377	0.5
138.99382	0.3
139.00240	1.2
139.03928	0.5
145.02875	1.5
147.04512	1.3
157.02898	0.2
159.04529	0.3
161.02373	1.0
161.11501	0.2
163.03931	1.0
165.01962	0.3
166.99879	0.3
168.00569	0.3
169.01373	3.5
170.01602	0.3
173.02405	1.7
175.03998	1.6
177.01883	0.4
189.01949	2.0
190.02678	5.4
191.03461	6.9
199.58896	0.2
201.01936	0.8
202.02667	0.3
203.03458	1.2
205.01350	0.5
217.01408	8.6
218.02191	4.8
219.02979	3.7
229.01349	0.8
243.03288	0.2
244.00130	0.3
245.00925	4.9
246.01720	16.1
247.02493	100.0
248.02832	6.7
272.97528	0.5
273.00473	9.0
274.00800	0.7
278.00418	0.3
289.07278	0.4
290.00800	0.6
291.01538	8.7
292.01740	0.7
297.06241	0.3
300.99973	1.6
333.02603	0.6
363.03680	0.7
393.04684	0.8
409.02408	0.3
409.07837	10.0
410.07782	1.1
453.06696	19.2
454.07028	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	452.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54831	0.3
53.53233	0.3
53.78166	0.3
57.03326	0.3
59.01264	9.2
60.01591	0.4
61.98718	6.1
63.64137	0.3
63.99131	0.8
65.00194	0.4
67.01787	1.4
68.01306	0.5
68.99685	0.3
69.03342	0.8
69.92498	0.6
69.92910	1.3
71.01269	3.9
72.99211	0.8
73.02834	0.9
77.96512	0.4
79.01781	1.1
81.03359	0.5
81.37901	0.3
83.01290	1.2
85.02848	1.6
89.02336	0.7
89.79806	0.3
95.01300	1.9
97.02863	1.2
98.19720	0.4
99.00778	0.4
101.02344	3.5
105.24787	0.3
107.01292	5.8
109.02850	0.8
111.00774	2.0
115.96639	0.3
119.11938	0.4
120.99580	1.2
123.00800	15.4
123.03188	3.3
124.01648	0.6
125.02368	30.9
126.02723	1.0
127.00281	0.9
136.98723	1.7
137.02419	0.8
138.05539	45.2
139.00302	5.3
139.05917	1.6
140.01102	3.5
141.01874	2.6
151.00307	11.2
151.01523	0.6
151.03976	0.5
153.01936	0.5
161.04495	1.5
163.00276	0.5
163.03986	0.4
165.01868	0.5
166.99815	0.4
168.00645	3.6
169.01382	44.6
170.01738	2.1
179.03426	0.5
180.06633	0.8
181.05084	0.4
189.01990	0.4
211.02492	2.4
217.01355	0.4
223.02409	0.4
241.03583	1.0
247.02489	0.5
248.64276	0.3
253.03563	0.7
258.73828	0.4
271.04739	0.9
273.00546	0.7
299.99341	0.4
300.11060	0.5
300.99918	1.3
313.05704	6.8
380.72324	0.3
391.23520	2.3
392.23822	2.2
452.12094	100.0
453.06253	0.8
453.12439	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	452.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.7
59.01264	2.9
61.98717	3.8
65.00205	0.5
67.01794	1.3
68.99709	0.3
69.03345	0.7
69.95594	0.5
69.95915	1.8
71.01269	2.7
72.99202	0.9
73.02813	0.4
73.23882	0.3
79.01772	1.1
81.03371	0.6
81.40541	0.3
83.01280	1.1
83.02432	0.3
85.02845	1.2
87.00773	0.5
89.02350	0.6
92.04991	0.3
93.03377	0.4
93.58110	0.3
95.01292	1.9
96.95930	1.0
97.02858	1.3
99.00777	0.4
101.02342	1.5
107.01290	5.3
108.02092	0.3
108.08109	0.4
109.02879	1.1
111.00813	2.4
119.04967	1.9
121.02880	0.3
123.00808	14.5
123.03180	4.1
123.04445	0.9
124.01600	1.1
125.02371	33.9
126.02700	1.2
127.00288	1.0
133.02844	0.7
135.04486	0.7
136.98737	1.3
137.02400	1.4
138.05544	43.7
139.00293	5.2
139.03946	0.4
139.05859	1.6
140.01099	3.0
141.01863	2.1
145.02934	0.6
149.02312	0.5
151.00317	9.6
151.03929	1.0
152.00499	0.4
153.01900	0.9
161.02328	0.6
161.04546	0.3
163.00317	0.5
163.03938	1.8
164.01166	0.4
165.01898	0.6
166.99806	0.6
167.03394	0.9
168.00589	3.6
169.01384	40.2
170.01692	1.4
173.02327	0.4
173.04488	0.3
175.04034	0.5
177.02003	0.4
179.03494	0.6
180.06578	0.9
181.04985	1.5
189.01868	0.6
190.02696	0.4
191.03441	0.3
193.01506	0.3
195.03020	0.4
203.07048	0.5
205.05075	0.5
211.02556	2.1
216.00774	0.4
217.01357	0.8
221.04460	0.4
222.97743	0.3
223.02521	0.3
241.03680	1.0
245.00948	0.9
245.08211	0.5
246.01640	0.4
247.02606	0.5
269.04895	0.4
270.98813	0.6
271.04510	0.5
273.00415	2.0
283.99887	0.3
287.05719	0.4
289.07230	3.0
290.00732	0.4
290.07608	0.5
291.01654	0.4
299.99152	0.4
300.10968	0.4
300.99915	1.6
304.22031	0.3
313.05737	6.5
347.67084	0.3
435.10947	0.4
452.12103	100.0
453.12497	13.5
453.22336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	2.1
59.05251	0.2
61.98710	1.1
65.00214	0.3
67.01783	0.9
68.37930	0.2
68.99682	0.2
69.03356	0.9
69.32194	2.3
71.01267	3.5
72.99201	0.3
73.02841	0.7
74.48493	0.2
78.95778	1.3
79.01774	0.4
81.03374	0.3
83.01286	0.8
84.53621	0.2
85.02857	0.8
87.00748	0.2
89.02349	0.6
95.01277	1.2
97.02840	0.7
98.19765	0.5
99.00788	0.4
101.02347	1.7
107.01290	4.3
108.02081	11.3
109.02846	0.6
111.00790	1.0
119.05015	0.2
120.99564	0.7
121.02875	0.4
122.02452	0.2
123.00798	5.6
123.04436	0.3
124.01614	0.9
125.02367	30.2
126.02693	0.9
127.00302	0.4
133.05019	0.4
135.04478	0.3
136.98746	0.5
137.02341	0.5
138.01900	100.0
139.00342	2.4
139.01401	0.2
139.02251	3.2
139.03925	0.4
140.01097	1.3
141.01875	0.6
145.02863	0.3
151.00317	4.9
151.02710	0.4
151.03905	0.4
153.01910	0.4
161.02365	0.2
163.00354	0.4
163.04048	0.5
164.00992	0.3
165.01906	0.5
166.99832	0.2
167.03485	0.4
168.00581	1.9
169.01378	48.9
170.01727	2.4
175.04068	0.2
177.01901	0.4
189.01889	0.3
190.02539	0.4
191.03363	0.4
193.01329	0.5
201.02083	0.3
203.03444	0.3
205.01486	0.2
205.04858	0.3
211.02502	2.5
212.02846	0.5
217.01389	0.5
218.01813	0.3
219.02917	0.3
223.02415	0.4
231.02827	0.2
241.03513	0.9
247.02524	0.4
253.03471	0.6
271.04623	1.2
273.00479	0.3
274.01160	0.9
275.01639	1.3
289.00027	0.3
289.03506	0.7
289.06659	0.3
290.00961	0.3
290.03928	1.1
300.99850	1.7
313.05710	68.3
314.06055	5.3
342.06998	1.0
429.54715	0.4
432.04324	0.4
438.05563	0.3
451.32858	0.5
452.08401	39.6
453.08719	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	451.319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05167	0.6
53.10945	0.7
59.01268	100.0
60.01592	1.2
61.98716	1.6
64.34687	0.6
66.00333	0.7
66.65113	0.9
71.01278	1.4
71.61250	1.0
73.02819	0.8
75.09547	0.7
78.95812	2.1
81.03361	2.4
81.18945	0.6
82.72327	0.6
83.04921	11.3
83.05370	0.9
85.02834	1.0
89.02344	1.3
90.53616	0.6
101.02361	1.6
113.02362	0.8
125.02378	1.4
151.07590	1.7
169.01448	1.0
197.81413	0.7
267.03778	0.8
307.24124	0.8
391.29800	38.3
392.30255	5.9
451.15646	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	2.8
57.03340	2.0
57.18591	0.4
58.00481	0.8
59.01266	100.0
60.01604	1.7
61.98720	8.1
65.71572	0.4
67.38612	0.4
69.03352	0.6
71.01270	24.3
71.59759	0.5
72.01623	0.5
72.99212	2.3
73.02838	9.5
73.51990	0.4
75.00765	3.0
78.95809	0.5
81.03392	0.5
83.01289	5.1
85.02841	13.3
87.00777	1.5
88.98708	1.1
89.02336	5.1
93.03367	0.5
95.01315	2.4
97.02877	1.2
98.66381	0.4
99.00779	5.2
99.04433	0.4
101.02348	39.9
102.02698	0.6
107.01320	3.2
108.02102	1.3
109.02872	1.8
111.00792	1.5
113.02350	10.4
115.03992	0.5
119.03477	1.0
119.04942	0.9
121.02900	0.5
123.00796	3.9
123.04456	0.8
124.01563	0.5
125.02368	23.6
129.01842	0.8
133.02924	0.9
135.04404	0.5
137.02397	1.5
138.01895	9.3
139.00284	2.2
139.03864	0.5
139.12463	0.4
141.01866	0.4
143.03447	1.9
145.02878	0.5
147.00832	0.4
147.04495	0.4
149.02408	0.7
151.00308	2.8
151.03979	0.9
153.01897	3.0
159.02934	2.2
161.02376	1.3
161.04495	16.9
162.04868	0.6
163.00311	0.9
164.01089	0.5
165.01897	0.6
166.99843	1.4
167.03452	0.5
168.00574	1.7
169.01389	32.8
171.00880	0.4
175.03996	0.6
177.01860	2.1
189.01921	1.8
191.03421	0.5
205.01436	0.4
205.03484	0.6
211.02501	1.0
217.01378	2.7
219.03038	0.4
229.05209	0.7
231.02968	0.8
241.03639	1.5
245.01007	1.3
245.08167	0.5
270.98831	2.2
271.99503	0.5
273.00473	2.7
274.01251	0.8
275.01877	0.8
289.03864	0.9
289.07297	2.0
289.11929	0.6
289.20230	1.0
299.99271	0.6
300.99893	2.3
311.05563	1.0
312.04984	0.6
313.05722	20.7
315.07617	0.6
319.17633	1.2
357.06201	2.3
373.15244	0.6
391.23447	62.7
392.23831	7.0
419.02695	1.0
451.07507	2.4
451.12762	0.5
451.21652	7.4
452.08463	20.5
452.21960	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.7
57.03342	1.8
59.01267	100.0
60.01604	1.0
61.98720	4.9
67.01775	0.9
69.03362	1.0
71.01275	16.8
71.61730	1.3
72.81416	0.5
72.99215	1.1
73.02849	5.8
75.00780	0.8
83.01283	3.7
83.93642	0.5
85.02850	7.9
87.00794	1.0
89.02346	5.5
93.03384	2.5
95.01279	2.6
97.02870	1.6
99.00248	0.5
99.00766	2.7
101.02353	13.8
107.01299	4.5
109.02866	4.2
111.00827	2.0
113.02357	7.1
117.03413	0.7
119.03443	1.9
119.04961	1.8
121.02868	0.9
122.03630	2.8
123.00809	5.9
123.04483	2.3
124.01639	1.2
125.02377	25.6
126.02778	1.0
133.02921	1.4
135.04492	2.5
136.04828	1.4
137.02351	4.3
137.06091	1.3
138.01947	0.8
138.03033	0.5
139.00330	2.0
139.03990	1.0
140.01132	1.1
141.01877	1.0
143.03532	1.1
143.04927	0.7
145.02936	2.3
147.04477	1.2
149.02415	1.8
151.00310	4.4
151.03935	3.0
152.00711	1.5
153.00818	0.9
153.01939	1.1
154.01454	0.7
159.03000	1.9
161.02452	4.9
161.04494	8.9
162.03284	0.6
163.00407	0.9
163.04018	2.1
165.01918	1.4
166.99881	1.5
167.03445	1.9
168.00595	1.7
169.01387	22.9
170.01732	0.7
171.00873	0.5
173.02429	0.6
175.03946	1.1
177.01923	6.5
179.03513	0.9
180.04382	0.8
184.86040	0.5
185.02341	0.5
187.04059	0.8
189.01892	6.3
190.02686	1.4
191.03493	1.7
192.00629	1.4
193.01526	0.8
195.06624	1.1
201.05623	0.6
203.03511	1.3
203.07205	0.7
203.10782	0.7
205.01500	0.8
205.03447	0.8
215.00159	0.6
216.00670	1.6
217.01479	5.3
219.03035	1.3
225.07762	0.8
229.01501	1.4
229.18239	2.0
231.03133	2.2
233.04639	0.7
241.05121	0.6
243.03040	0.9
245.01062	1.2
245.08186	0.7
247.02490	1.1
248.03355	0.6
269.04886	0.7
270.99051	1.0
271.06525	1.0
273.00464	1.3
275.02234	2.2
283.06265	1.1
287.05856	2.5
288.06149	1.2
289.07056	4.8
299.99240	1.3
300.99979	11.7
305.06915	1.5
311.05884	2.3
313.05792	1.7
341.06708	5.3
357.06317	7.7
358.06909	0.8
361.21771	0.8
369.59177	1.6
370.09454	0.8
391.23477	67.0
392.23819	8.2
407.11615	1.1
423.04596	0.8
450.61664	0.8
451.12488	19.6
452.04834	2.5
452.12854	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	2.0
59.01265	12.2
69.81579	10.8
71.01278	10.6
72.99176	1.6
73.02835	1.6
75.00764	1.9
83.01269	2.2
85.02847	2.8
87.00786	3.7
89.02329	14.2
93.03366	11.5
95.01292	4.5
97.02840	5.4
97.66163	1.5
99.00744	3.5
101.02337	5.7
107.01284	4.6
109.02863	17.4
111.00772	2.7
113.02342	5.1
117.03323	1.8
119.03413	5.1
121.02863	4.1
123.00795	10.5
123.04462	9.7
124.01597	1.9
125.02363	38.6
135.04463	2.2
136.23035	1.6
137.02383	17.6
137.06023	3.4
139.00294	6.9
139.03896	2.6
140.01140	1.8
143.03439	1.8
145.02901	1.8
147.04393	1.9
149.02351	4.4
151.00288	5.3
151.03900	7.4
153.01797	1.8
159.04486	1.7
161.02380	4.0
161.04549	2.2
161.05913	3.4
161.18840	1.6
163.03905	1.8
163.78993	1.8
164.01114	3.3
165.01865	4.0
166.99794	3.7
167.03395	2.2
167.10651	3.5
168.00555	3.3
169.01387	34.8
175.03972	3.1
177.05623	1.8
179.03418	5.7
179.05554	5.4
187.03967	3.2
188.04839	2.1
202.06282	2.3
203.03474	2.9
203.07054	10.0
205.05005	4.4
214.99677	2.6
221.08130	3.7
227.07150	2.8
231.03195	1.6
245.00925	2.0
245.08243	15.4
247.02490	3.4
260.21042	1.9
271.09717	1.9
273.00497	2.8
289.07251	100.0
290.07629	8.7
300.99902	6.1
311.96463	1.7
313.05487	8.4
331.08331	6.4
405.21201	7.9
407.14990	2.1
415.12442	18.8
416.12411	2.9
451.07913	14.7
451.12753	8.8
451.22141	12.3
452.09790	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	451.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87196	0.7
57.03332	3.0
59.00990	1.4
59.01264	21.0
61.15802	0.7
61.59316	0.8
61.98717	8.1
63.02246	0.7
64.14371	0.8
67.01776	1.4
69.03331	2.6
69.29462	9.3
71.01266	7.5
73.02832	3.2
81.03345	5.4
83.01283	10.0
85.02850	3.4
85.93930	0.9
89.02333	5.1
93.03362	11.9
95.01279	4.1
95.04919	4.8
97.02850	13.1
99.00750	1.6
101.02361	6.2
103.05399	1.0
105.03368	2.0
107.01323	1.7
107.04931	2.5
108.02090	6.6
109.02860	58.4
111.00803	1.1
113.02346	3.2
117.01865	1.8
117.03365	2.1
119.03416	2.0
119.04938	2.4
121.02893	10.1
122.03692	6.9
123.00839	4.0
123.04449	37.8
124.01579	4.7
124.04774	1.4
125.02374	33.7
126.02697	2.3
133.02879	1.0
134.03671	27.5
135.04480	7.9
137.02376	50.2
138.03186	2.0
139.03938	14.4
145.02910	5.6
146.03658	3.8
147.04466	4.6
148.01570	1.2
149.02371	20.8
149.06012	14.9
149.99527	5.9
150.03088	2.8
151.00275	1.5
151.03951	32.2
152.04314	1.1
153.01831	0.9
154.02655	1.6
157.06593	1.6
158.03679	1.1
159.04453	6.3
160.05190	3.7
161.02405	8.7
161.04568	2.5
161.06003	14.9
162.03128	5.8
162.06532	0.9
163.00319	2.6
163.03960	9.4
164.01096	7.7
164.04701	1.9
165.01886	18.0
165.05525	1.5
166.02454	1.5
167.03494	2.5
168.00587	9.0
169.01431	7.9
171.04475	1.1
173.06046	2.8
175.03966	7.2
175.07596	3.5
176.01183	3.0
177.01901	6.4
177.05513	2.9
178.02676	2.7
179.03465	12.2
179.10643	1.1
185.06023	3.1
187.03986	8.7
187.07565	0.9
188.04768	6.1
189.01933	3.5
190.02730	2.5
191.03474	10.3
192.04199	1.7
197.05995	1.3
197.11769	0.8
199.07581	1.1
201.01965	1.2
201.05511	2.7
202.06340	3.4
203.03505	3.7
203.07144	22.1
204.04189	0.9
204.07556	1.7
205.05038	18.3
206.05418	1.2
211.07588	1.0
212.04855	1.1
213.05547	6.2
215.07126	30.2
216.07468	2.0
217.01407	2.8
221.08240	2.5
225.05685	0.8
227.03566	1.1
227.07101	4.3
228.07881	1.2
228.10205	1.3
229.08719	1.4
229.10771	1.7
230.05779	1.6
231.03009	2.9
231.06975	0.9
239.07069	1.5
241.08652	1.1
242.09465	1.0
243.06709	1.1
243.10593	0.9
245.08221	20.1
246.08739	1.8
247.02425	1.5
247.06076	4.0
255.06609	1.6
257.08197	11.2
271.06274	1.4
271.09738	2.4
273.00571	1.8
283.10013	1.2
285.11166	1.1
287.09271	2.0
288.06412	1.0
289.07239	100.0
290.07605	6.5
299.09253	2.0
301.00037	2.1
301.07245	64.1
302.00278	0.9
302.07623	5.9
313.05811	3.2
315.08813	16.3
327.08856	1.6
331.06772	5.9
341.06659	1.5
341.10245	2.0
351.20392	4.5
391.23267	2.3
407.15143	4.5
414.06027	1.8
428.05862	2.2
428.55823	1.8
451.08740	13.8
451.14160	85.3
452.08908	1.9
452.14404	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	451.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36544	0.2
53.02834	0.2
54.67237	0.3
55.01753	0.3
57.03330	0.4
58.84299	0.2
59.01272	1.3
65.00220	0.6
65.24590	0.2
67.01775	0.7
69.03341	1.0
71.01270	2.9
71.01675	0.6
72.99213	0.6
73.02853	0.4
79.01804	0.9
81.03351	0.3
83.01275	0.9
84.99003	0.2
85.02847	1.3
87.00786	0.6
89.02336	0.6
93.03383	0.8
95.01283	1.2
96.95935	0.6
97.02858	1.0
98.20017	0.3
99.00810	0.3
101.02367	1.4
106.04133	0.6
107.00623	0.4
107.01302	6.0
107.04942	0.4
109.02847	0.3
111.00804	1.8
113.02394	1.6
119.04984	1.4
121.02850	0.4
123.00808	12.3
124.01624	0.5
125.02372	29.7
126.02740	1.1
127.00296	0.8
133.02869	0.3
135.04448	0.4
136.98781	1.2
137.02406	0.8
137.06017	19.9
138.03079	0.2
138.06285	0.6
139.00316	3.7
140.01076	2.1
141.01910	1.5
143.03470	0.3
145.02882	0.5
147.04456	0.4
151.00308	7.4
151.03929	0.8
152.00687	0.5
153.01881	0.6
154.99817	0.3
161.02390	0.6
161.04523	0.4
161.05922	0.3
163.03958	0.9
165.01854	0.6
166.99789	0.6
167.03435	0.5
168.00623	2.6
169.01387	42.1
170.01762	1.6
173.04510	0.5
174.60176	0.2
175.03992	0.4
177.01903	0.3
179.03409	0.4
179.05536	0.4
189.01907	0.4
191.03511	0.6
191.05548	0.6
193.01392	0.9
201.01823	0.4
203.03479	0.5
205.01477	0.4
205.05037	0.8
211.02527	0.6
214.99908	0.8
216.00420	0.3
217.01286	0.4
223.02486	0.4
231.03056	0.4
241.03625	0.3
242.99406	0.3
245.00926	0.9
249.04073	0.6
250.04697	0.3
253.03491	0.6
259.99768	0.4
261.00433	0.5
265.68549	0.2
273.00412	1.3
274.01117	0.4
275.02097	1.6
280.13928	0.3
289.00525	0.4
289.03708	0.5
289.07239	0.5
290.00690	0.3
300.99884	2.1
313.05740	11.0
314.06107	0.7
337.02078	0.7
438.03262	0.5
451.12570	100.0
452.12903	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	451.126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.2
55.67523	0.2
58.00487	0.2
59.01268	7.2
61.98712	0.3
65.00214	0.3
67.01785	0.9
68.99729	0.3
69.03345	0.6
69.33505	0.8
69.33939	1.2
71.01278	4.1
71.67173	0.2
72.99195	0.6
73.02824	0.5
79.01782	1.0
81.03347	0.3
83.01285	0.7
85.02841	1.0
87.00777	0.5
89.02340	3.8
90.99709	0.2
93.03362	1.2
95.01296	2.2
96.95936	0.3
96.99215	0.4
97.02865	0.9
99.00803	0.4
101.02368	3.1
107.01305	3.2
108.02107	0.5
109.02900	1.2
109.03499	0.2
110.00009	0.5
111.00806	2.6
113.02362	1.5
119.03489	1.2
119.04942	2.3
123.00809	15.4
124.01669	1.0
125.02374	17.6
126.02695	0.6
127.00269	1.1
136.98744	1.9
137.02379	2.9
137.06027	1.2
139.00305	5.2
139.03975	0.3
140.01114	3.8
141.01886	2.9
145.02834	0.3
147.04440	0.2
151.00325	14.3
151.03966	0.4
152.01010	0.9
153.01878	2.4
154.99741	0.3
161.02422	0.4
163.00307	0.2
163.03951	0.3
164.00964	0.2
165.01938	0.3
166.99760	0.4
167.03453	0.4
168.00618	4.9
169.01392	26.3
170.01697	1.1
175.03963	0.3
177.01877	0.3
177.25699	0.2
179.03476	0.5
179.05525	0.2
181.05101	0.3
195.02954	0.3
205.05125	0.3
211.02461	4.0
212.02827	0.3
217.01341	0.2
223.02608	0.3
245.00818	0.3
247.02672	0.2
253.03545	0.4
261.00662	0.2
262.03882	0.2
271.04672	3.6
272.05069	0.5
273.00436	0.8
275.01981	0.3
288.02713	0.2
289.00009	0.4
289.07224	0.6
301.00061	0.6
308.80515	0.2
313.05762	2.8
314.06311	0.2
315.07407	0.6
339.63660	0.2
341.82986	0.2
384.86923	0.2
407.09894	0.4
451.12634	100.0
452.13019	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	451.1256
Annotation	Catechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.89243	0.4
57.03323	1.5
59.01255	0.5
61.98728	0.3
64.11195	0.3
64.47914	0.3
71.58392	0.7
81.03335	1.7
83.01276	2.2
85.02865	0.5
93.03355	1.4
93.48447	0.3
95.01286	0.7
95.04394	0.3
95.04919	2.1
96.95894	0.9
97.02858	4.1
108.02096	0.4
109.02865	15.0
110.03165	0.4
121.02869	1.8
122.03658	0.5
123.04435	9.1
125.02364	12.1
126.02686	0.6
133.02841	0.3
135.04448	1.2
137.02376	8.1
138.03145	0.5
139.03961	2.3
143.04910	0.3
145.02878	0.8
146.03664	0.9
147.04385	0.5
149.02385	5.1
150.03171	1.7
151.03957	6.1
159.04428	1.9
160.05225	1.0
161.02367	1.5
161.06041	3.4
162.03149	1.3
163.04010	0.8
164.01082	2.1
165.01898	3.0
167.03455	0.9
169.01378	1.3
175.03920	1.5
175.07584	1.1
177.05536	0.3
179.03462	4.4
185.06029	0.7
187.03992	3.2
188.04739	2.4
189.01872	0.7
195.52411	0.4
202.06252	1.5
203.03493	0.6
203.07123	8.1
204.07507	0.5
205.05057	5.7
206.05449	0.4
212.04785	0.4
221.08151	1.9
227.07097	1.3
228.07454	0.4
230.05859	0.7
231.03023	0.5
245.08203	12.3
246.08572	0.9
247.06229	0.5
271.06174	1.3
289.07236	100.0
290.07584	8.7
313.07306	1.7
320.34213	0.4
355.08295	0.6
389.11038	1.4
451.13019	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34390	0.7
57.03335	3.7
57.60155	0.7
59.01237	2.0
64.61931	0.7
69.03332	1.0
70.13917	2.7
71.01241	1.1
81.03345	3.6
83.01282	6.4
85.39694	0.7
90.94022	0.7
93.03345	2.1
93.94640	0.6
95.01272	2.3
95.04926	4.9
96.95877	2.3
97.02850	11.8
98.03310	0.7
101.02354	0.7
105.03341	0.8
107.01294	1.5
108.02054	1.2
109.02857	33.4
113.02376	0.8
119.04947	1.1
121.02893	6.0
122.03612	3.1
122.98107	0.7
123.00771	2.5
123.04441	25.9
125.02367	27.0
133.02827	1.1
135.04395	2.6
137.02370	39.6
137.05986	2.8
138.03110	1.5
139.03911	6.2
145.02863	1.9
146.03648	1.4
147.04445	1.3
149.02393	8.3
150.03125	1.6
151.00294	1.1
151.03957	17.4
152.04268	1.1
153.01926	1.2
159.04395	3.8
160.05200	2.9
161.02373	2.5
161.06009	8.7
162.03194	3.5
163.03935	2.4
164.01118	5.6
165.01878	12.5
167.03398	2.7
169.01389	7.8
173.04562	1.7
173.05913	1.3
174.03137	1.1
175.04007	3.9
175.07556	2.9
179.03468	9.7
185.05995	1.9
187.03967	7.1
188.04756	6.2
191.05453	1.6
201.05501	1.3
202.06285	3.1
203.03470	0.9
203.07112	20.7
204.07430	1.7
205.05049	14.2
211.03954	0.8
211.07552	0.7
212.04735	1.7
217.01511	0.9
217.04851	0.8
221.08211	6.9
227.07185	4.6
229.05081	0.7
230.05833	0.9
231.03035	1.0
245.08218	37.3
246.08543	2.4
247.06091	2.6
271.06232	2.9
273.00534	1.3
274.01199	3.9
275.01974	1.8
289.07242	100.0
290.07602	7.5
301.00012	0.7
313.05878	1.8
313.09283	1.4
451.12576	79.1
452.12924	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83126	0.4
57.03332	2.1
59.01266	2.1
69.03368	0.4
71.01259	1.6
71.16210	0.6
71.16549	0.6
72.99162	0.5
75.00780	0.4
77.28531	0.4
78.95797	0.5
81.03354	2.6
83.01276	2.5
85.02859	0.8
89.02328	1.1
93.03358	3.0
95.01280	1.3
95.04927	2.6
96.95886	0.7
97.02851	3.9
99.04404	0.7
100.39091	0.4
101.02344	0.9
107.01341	0.9
107.04960	0.8
109.02864	20.3
109.77449	0.4
111.00818	0.5
113.02361	0.7
117.03355	0.6
121.02886	3.0
122.03672	0.6
123.00810	1.9
123.04434	11.9
125.01452	1.0
125.02367	19.0
126.02746	0.4
133.02913	0.5
135.04431	1.6
137.02380	11.4
137.06067	0.8
138.03226	0.5
139.00327	0.8
139.03973	2.5
140.01125	0.4
145.02876	1.1
146.03671	1.3
147.04433	0.7
149.02386	6.2
150.03160	2.0
151.00345	0.6
151.03961	8.1
154.52464	0.4
159.04430	2.4
160.05244	1.3
161.02373	1.8
161.06038	4.1
162.03157	1.6
163.03964	2.5
164.01083	2.2
165.01880	3.2
166.02530	0.5
167.03452	1.8
168.00551	0.7
169.01376	6.0
173.04504	0.7
173.05978	0.8
174.03229	0.7
175.03941	1.7
175.07596	1.3
179.03447	4.8
185.06012	1.0
187.03952	3.7
188.01186	0.6
188.04701	3.0
189.01840	0.9
191.03510	0.9
193.05019	0.6
199.07576	0.7
200.57719	0.4
201.05539	0.6
202.06281	2.2
203.03433	0.7
203.07115	11.2
204.07512	0.4
205.05037	7.3
212.04768	0.7
217.08723	0.6
221.08138	2.4
227.07159	1.6
230.05759	0.6
231.03015	1.0
245.01003	0.7
245.08218	16.5
246.08492	1.1
247.02422	0.6
247.06123	1.1
261.00610	0.4
271.06192	1.5
273.00546	0.6
275.02075	0.7
289.07242	100.0
290.07571	8.4
300.99838	1.5
313.06851	1.6
331.08109	0.5
352.09866	0.4
415.12253	1.2
451.08575	1.5
451.12299	3.8
451.22238	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00466	0.2
54.53424	0.2
56.03481	0.2
57.72597	0.2
59.01263	3.5
67.01776	0.6
67.10555	0.2
69.03357	0.3
69.33418	0.4
69.33823	1.7
71.01272	2.0
72.99200	0.6
73.02839	0.2
79.01797	0.5
83.01300	0.5
85.02859	0.7
87.00792	0.3
89.02341	2.2
95.01281	1.2
97.02884	0.7
99.00808	0.3
101.02346	1.7
107.01306	1.8
108.02104	0.3
109.02865	0.4
110.00022	0.2
111.00809	1.5
113.02369	1.0
117.65749	0.2
119.03445	0.7
119.04929	1.6
123.00804	10.0
124.01627	0.7
125.02370	9.7
126.02703	0.4
127.00312	0.5
136.98782	0.9
137.02400	0.8
137.06006	0.7
139.00310	3.1
140.01102	2.4
141.01884	1.6
148.75200	0.2
151.00316	9.8
151.78403	0.2
152.01068	0.6
153.01884	1.1
163.03937	0.5
168.00589	4.4
168.01965	0.3
169.01390	15.9
170.01732	0.6
181.05034	0.2
209.04457	0.3
211.02481	3.0
212.02812	0.3
237.19339	0.2
245.00818	0.3
253.03671	0.4
271.04678	2.7
272.05026	0.7
273.00525	0.5
274.01294	0.3
288.02905	0.6
289.03638	0.5
297.06439	0.2
313.05661	1.5
384.58490	0.2
407.09708	0.4
451.12619	100.0
452.12958	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	451.1255
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
56.04279	0.6
57.03248	2.0
57.03520	0.8
59.01183	16.5
59.01519	2.5
60.01535	0.7
61.98631	5.5
65.00172	1.0
68.99635	0.8
69.03256	1.9
71.00223	1.6
71.01179	6.5
73.02775	1.3
77.03808	0.6
80.72523	0.6
81.03264	2.7
83.01270	6.1
85.02756	2.8
87.00697	0.8
88.98606	0.6
89.02351	3.7
93.03358	7.3
95.01296	3.1
95.04856	1.6
97.02863	3.0
99.00780	16.7
99.01368	0.8
99.04334	0.7
101.02338	4.1
107.01228	1.3
108.02045	1.1
109.02888	7.9
111.00792	4.4
111.04317	1.8
113.02370	4.4
117.03307	1.0
117.89314	0.6
119.03327	1.6
119.04939	5.7
121.02860	4.7
123.00787	5.2
123.04444	14.4
124.01528	0.7
124.04723	0.9
125.02376	32.2
126.02599	1.7
133.02777	2.3
135.04451	4.3
137.02383	14.9
139.00301	7.9
139.03955	4.2
140.01102	11.6
141.01880	52.7
141.02930	1.7
142.02127	1.7
143.03291	0.7
145.02905	3.5
147.04425	1.5
149.02284	2.7
151.00330	4.6
151.03857	2.5
153.00829	0.8
153.01866	6.4
155.03426	3.0
157.06474	0.8
159.04326	1.1
161.02464	3.2
161.04427	2.1
161.05862	1.4
163.00221	1.7
163.03877	2.6
164.01042	1.7
165.01888	13.0
165.05461	2.7
165.99054	3.9
166.02383	0.8
166.99736	1.2
167.03459	40.2
168.00598	12.7
168.03690	1.8
169.01277	2.7
175.03938	0.9
177.01915	4.9
179.03464	8.4
180.03687	0.7
181.01364	4.3
181.28116	0.6
182.00600	1.1
182.02173	22.0
183.02972	32.0
184.03261	1.3
185.06041	0.7
187.03923	1.5
189.01933	4.5
189.05482	1.2
191.03371	2.0
195.02982	4.6
203.03479	1.5
203.07079	1.7
207.02921	1.8
216.00679	0.8
217.01425	6.1
219.02870	1.3
227.07169	1.5
231.02930	0.9
233.04568	0.9
241.05141	0.6
245.08142	3.8
247.02580	0.9
259.02454	0.8
262.45447	0.7
269.04587	0.8
270.05225	1.0
271.06201	10.4
283.06073	0.9
285.06308	2.1
287.05713	1.8
288.06433	18.5
289.07248	100.0
290.07568	7.7
300.99881	1.3
301.07370	0.8
303.07285	13.9
303.47141	0.7
304.07629	0.9
311.05746	2.7
313.07156	4.8
341.06662	0.7
343.08179	1.1
357.06406	5.4
359.20981	0.9
360.21167	3.3
361.21457	3.1
373.22461	1.6
391.23465	3.3
451.12659	46.3
451.29373	2.3
452.13089	5.4
474.13126	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03352	1.3
59.01266	23.0
60.01588	1.4
60.50325	0.9
61.98714	6.6
67.01770	1.2
69.03347	1.8
69.65693	6.0
70.67466	0.7
71.01266	5.3
72.77763	0.7
73.02839	1.3
75.00764	1.4
78.95798	7.1
80.91557	2.8
81.03340	3.0
83.01259	2.2
85.02848	2.5
89.02346	4.1
89.03879	0.8
93.03361	10.5
95.01284	3.7
95.04940	1.8
97.02865	1.6
98.46013	0.7
99.00761	1.0
99.04411	1.1
101.02351	4.6
103.05531	1.0
107.01305	3.7
108.02068	1.3
109.02865	49.7
110.03206	1.0
111.00761	1.1
111.04425	4.0
113.02339	2.8
116.16655	0.9
117.03352	2.0
119.03451	0.8
119.04958	6.3
121.02862	2.9
123.00809	8.2
123.04441	12.0
124.01576	3.5
124.04831	0.8
125.02373	38.7
126.02663	1.3
131.04967	0.9
133.02884	8.7
134.03662	1.3
135.00815	1.1
135.04361	2.3
137.02371	8.5
138.03059	1.0
139.00354	1.6
139.03940	18.7
140.01118	0.7
143.04803	0.8
145.02873	8.2
146.26094	0.8
147.04472	4.8
148.01598	0.9
149.02377	2.8
150.03113	1.1
151.00317	1.5
151.03960	8.1
157.02846	0.9
159.04477	2.7
161.02403	11.9
161.04491	2.3
161.05986	1.7
162.03122	3.3
163.00316	2.5
163.03966	4.4
164.01093	1.2
165.01880	2.7
166.02657	1.9
166.99812	3.1
167.03458	12.0
168.00610	2.3
169.01389	19.2
173.02406	2.0
173.06079	0.9
175.03941	1.6
176.01122	2.0
177.01897	61.1
178.02235	3.3
179.03452	2.4
183.02890	0.9
187.00377	1.0
187.03978	3.7
188.04779	1.8
189.01904	97.8
190.02638	18.6
191.03481	12.7
200.43387	0.9
201.01883	2.5
201.05583	1.3
203.03500	9.7
203.07260	1.1
204.03926	1.1
213.79893	0.7
215.00006	1.3
216.00638	15.4
217.01421	100.0
218.01886	6.8
219.02988	18.6
219.06409	1.4
220.03378	1.1
225.05545	1.1
227.07159	2.0
229.01411	1.5
229.05122	3.7
229.08725	1.3
231.02997	20.0
232.03632	2.7
233.04576	4.6
241.05096	6.8
243.06671	1.5
245.00952	2.1
245.08176	1.3
249.04028	1.4
255.06601	1.5
268.03833	1.3
269.04550	6.9
270.98932	1.9
271.06232	7.0
273.00412	1.9
275.01984	2.9
280.03940	1.3
281.04535	4.8
282.05310	2.0
283.06201	10.5
287.05743	4.9
289.07150	8.0
290.07230	0.9
295.06116	2.3
297.04453	1.5
297.07751	4.0
299.05609	8.8
299.99255	1.5
300.99969	14.5
301.03250	1.0
304.04044	1.3
305.07053	4.0
311.05679	38.6
312.06049	4.1
313.07089	2.3
321.04187	1.0
323.05609	1.5
325.07172	2.4
339.05219	1.4
341.06732	99.4
342.07019	10.9
357.06232	74.5
358.06564	8.6
391.23175	3.3
433.08612	0.9
433.49164	0.9
451.10458	86.0
451.54639	0.8
452.04846	4.4
452.10831	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	451.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46063	0.5
55.40972	0.5
57.03336	1.5
59.01267	17.3
60.01592	0.6
61.98721	11.8
65.00194	0.6
69.03346	1.2
70.77292	1.3
71.01274	5.2
73.02864	0.9
81.03347	3.2
82.10085	0.5
83.01274	1.3
83.15781	0.5
85.02837	1.2
89.02357	2.6
90.02670	0.6
93.03367	12.2
95.01297	1.8
95.04955	1.0
97.02850	1.6
99.00751	0.8
101.02363	3.3
101.02946	0.6
103.05421	0.8
107.01296	0.7
109.02863	34.9
110.03194	1.3
111.00782	0.7
111.04426	4.6
113.02352	2.1
117.03383	4.0
119.03389	1.1
119.04951	4.2
121.02883	2.3
123.00807	3.6
123.04443	4.7
124.01562	1.9
125.02374	36.4
125.92994	0.5
126.02713	1.1
133.02902	5.1
135.04463	5.8
137.02368	8.3
138.03081	0.6
139.00273	0.7
139.03944	25.3
140.04378	0.6
145.02885	10.4
147.04497	2.8
149.02380	1.7
151.03954	2.3
157.06467	1.0
159.04498	2.5
161.02390	6.5
161.04509	1.2
161.06030	1.8
162.03195	0.7
163.00351	1.6
163.03958	1.5
164.01067	1.3
165.01883	2.3
166.02696	3.6
166.99785	1.1
167.03450	11.1
169.01372	4.0
170.01859	0.7
173.02368	1.0
175.04015	1.4
176.01109	2.2
177.01904	39.4
178.02269	1.7
179.03453	5.5
185.06062	1.2
187.03976	2.6
188.04936	0.6
189.01901	79.4
190.02460	5.8
191.03464	8.5
197.06114	0.8
201.01894	1.7
201.05525	0.9
203.03510	9.3
203.07207	2.0
204.03993	0.7
205.05048	1.1
213.01993	0.6
213.05669	0.8
215.03619	0.7
216.00621	10.7
217.01424	100.0
218.01765	7.3
219.03008	8.3
219.06548	0.9
220.03383	0.7
223.07787	0.6
227.07100	1.0
229.01402	0.7
229.05045	3.1
231.03000	14.7
232.03520	2.0
233.04578	5.4
234.04893	0.6
239.07275	0.7
241.05104	10.8
242.05530	1.3
243.06664	1.3
245.08191	2.8
246.40976	0.6
247.02530	0.9
248.46765	0.5
253.05095	1.2
255.06635	2.0
267.02957	1.3
267.06357	0.5
268.03796	1.2
269.04633	9.7
270.05011	1.2
271.06186	8.3
272.06470	0.8
275.02011	1.6
283.06183	12.3
284.06561	1.4
287.05765	2.5
289.07242	13.2
290.07477	1.3
295.06473	0.9
297.04288	0.7
301.00119	3.2
305.06760	7.1
310.04797	1.7
311.05682	60.0
312.06015	6.5
313.07397	1.3
321.04126	1.9
325.07303	4.0
339.05069	2.4
341.06741	8.1
342.06857	0.7
357.06238	81.5
358.06537	8.6
361.07315	0.6
390.22629	1.0
391.23441	3.1
429.07327	1.3
429.56995	1.1
433.09283	1.7
450.28336	0.7
451.10458	84.9
452.10779	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	451.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	8.5
59.24561	0.4
61.98717	4.0
62.11489	0.3
62.98407	0.3
71.01270	3.2
73.02855	1.1
81.03367	0.6
83.01286	1.0
85.02840	1.3
89.02347	2.0
89.03807	0.4
93.03368	2.5
95.01271	0.7
95.04907	1.1
96.95931	0.5
97.02850	0.4
101.02347	2.3
103.05461	0.9
105.87693	0.4
107.01331	0.5
108.02092	0.9
109.02866	26.6
110.03187	0.8
111.04466	0.7
113.02343	1.7
117.03380	1.3
119.03420	0.8
119.04951	2.5
121.02872	1.2
122.03668	0.7
123.00800	1.3
123.04443	11.8
123.75526	0.5
125.02379	6.0
133.02858	4.4
135.04417	0.6
137.02370	3.7
139.00314	0.5
139.03915	2.3
145.02885	3.3
147.04462	3.5
149.02376	1.3
150.03166	1.4
151.03947	8.0
159.04474	1.9
161.02411	6.2
161.04561	1.3
161.05917	0.5
162.03149	0.7
163.04002	0.9
165.01863	0.6
167.03433	1.6
169.01414	2.1
173.02409	0.7
175.03981	0.8
176.01170	1.4
177.01900	28.3
178.02264	1.5
179.03470	1.7
187.03999	1.8
189.01909	55.6
190.02661	11.3
191.03473	10.6
201.01936	0.6
203.03485	6.3
205.05127	0.6
216.00635	8.8
217.01421	40.7
218.01970	3.5
219.02992	13.7
229.05000	0.9
231.03029	10.7
232.03616	1.4
233.04565	1.6
241.05133	0.8
245.08223	0.8
247.02196	0.5
269.04572	1.3
271.06241	1.1
273.00394	0.4
275.01843	0.4
281.04391	0.5
283.06186	1.7
287.05579	1.2
289.07355	3.1
295.06244	0.7
297.07581	0.6
299.05771	0.9
300.99918	1.0
305.06763	1.1
311.05792	4.1
312.05966	0.7
323.05753	1.3
341.06732	100.0
342.07053	10.6
357.06259	12.1
357.09741	0.3
358.06546	1.4
391.23431	3.4
451.10468	35.0
451.29141	2.2
452.10931	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	7.5
59.00993	4.3
59.01266	59.1
61.98717	27.8
64.24084	3.0
68.99697	2.9
69.03357	4.0
71.01269	28.4
71.61420	3.5
73.02843	5.0
81.03351	4.4
83.01272	10.5
85.02875	7.2
89.02343	17.4
90.41781	2.7
93.03366	17.3
95.01287	7.3
95.04927	5.6
97.02855	6.9
99.00764	6.9
101.02319	15.2
102.97518	3.0
107.01296	6.9
108.02089	4.2
108.70976	2.6
109.02876	64.5
111.00777	9.1
113.02357	9.9
117.03363	11.4
119.03459	4.5
119.04979	15.2
121.02856	8.2
123.00798	19.7
123.04433	30.1
124.01600	5.8
125.02373	77.3
126.02697	4.6
130.85843	3.1
133.02879	19.2
135.04434	25.0
137.02391	69.8
138.03110	10.4
139.00327	15.5
139.04004	6.0
139.44843	3.5
140.01093	8.7
141.01883	9.0
143.04942	3.3
145.02907	33.9
147.04460	8.6
149.02396	14.8
151.00314	14.4
151.02794	4.5
151.03926	35.1
153.01848	9.8
159.04443	8.7
161.02396	58.4
161.04494	8.4
161.06006	6.8
162.03064	9.7
163.00327	9.6
163.03929	19.7
164.01100	5.5
165.01863	12.7
165.99005	3.2
166.02634	7.6
166.99840	3.8
167.03218	4.0
168.00621	18.2
169.01389	29.5
171.00902	3.8
173.02388	6.8
175.03912	11.0
176.01080	5.7
177.01895	48.6
179.03467	25.2
181.01408	7.2
182.02199	25.4
183.02896	13.1
183.04399	3.9
185.06123	3.4
187.04001	6.5
189.01901	77.0
190.02618	16.8
190.99774	5.4
191.03491	18.8
192.00633	13.6
193.01389	8.3
195.02910	4.4
201.01878	10.8
201.05536	5.4
203.03488	19.0
203.07112	8.6
205.01472	7.8
205.05104	5.3
214.15321	3.9
214.99846	3.9
215.03416	3.5
216.00642	9.7
217.01437	58.0
217.04950	4.5
218.01871	6.1
219.03001	18.1
229.01517	7.8
229.05081	5.3
231.02995	17.3
232.00093	4.4
233.00885	3.6
233.04543	7.0
241.05029	5.6
243.06627	7.4
245.00922	12.7
245.08253	10.1
247.02481	5.6
269.04626	11.6
269.08313	12.4
271.06134	10.6
273.00534	24.9
274.01025	9.7
275.02115	13.2
283.06183	6.4
284.06735	4.2
285.04257	6.4
286.04767	3.7
287.05753	20.9
288.06427	20.0
289.07257	71.4
290.07193	4.7
301.00021	27.9
302.00235	4.3
305.06778	37.4
306.07025	4.6
311.05585	7.1
312.05719	4.3
313.07254	8.4
335.13412	7.5
339.05203	4.6
341.06735	100.0
342.06927	11.5
357.06284	45.2
391.23230	8.3
407.05228	20.1
407.11368	14.4
407.55457	7.3
413.05389	8.6
421.05042	28.6
421.55206	11.4
426.04480	3.9
433.09015	9.0
435.04669	12.2
442.05505	5.5
450.24374	4.6
451.10721	71.9
452.10806	14.4
457.26965	3.7
465.06561	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53251	0.4
57.03354	0.7
59.01266	17.0
59.80605	0.5
60.01611	0.5
61.98720	3.5
65.00233	0.4
68.99731	0.5
69.03358	1.4
69.32414	1.9
69.32848	2.6
71.01274	7.9
72.99227	0.6
73.02858	0.8
79.01812	1.2
83.01312	1.1
85.02856	2.2
87.00803	0.8
89.02337	2.3
91.11465	0.5
93.03365	55.6
94.03714	1.8
95.01325	2.0
96.99252	0.4
97.02882	1.4
98.20586	1.0
99.00761	0.6
100.39178	0.4
101.02374	3.2
101.94942	0.4
107.01294	8.0
107.01949	0.7
107.04959	0.8
109.02901	1.1
110.60468	0.4
111.00831	1.8
113.02358	2.7
117.69876	0.5
119.03442	0.5
119.04996	1.1
123.00810	11.7
124.01635	0.7
125.02373	51.7
126.02714	1.5
127.00333	0.7
136.98764	1.5
137.02380	100.0
138.02710	4.4
139.00314	4.2
139.03949	1.0
140.01112	2.5
141.01859	1.9
151.00317	9.1
151.03961	0.9
153.01846	1.2
154.99832	0.6
161.02454	1.2
161.04478	1.3
163.00299	0.7
165.01791	1.1
166.99857	0.6
167.03418	0.8
168.00603	3.5
169.01385	75.7
170.01718	3.1
173.06114	0.5
177.01851	0.6
179.03439	0.9
183.02893	0.7
189.01912	0.8
193.01358	0.8
211.02449	3.1
219.02965	0.4
223.02477	0.6
229.14384	0.7
240.44077	0.5
241.03438	1.8
245.00981	0.8
253.03430	0.7
271.04489	1.7
273.00528	1.2
274.01056	1.2
275.01892	0.9
287.01773	0.5
288.02496	0.6
289.03491	0.7
289.07123	1.6
299.07813	5.6
300.99866	2.1
313.05734	67.1
314.06067	4.8
391.23328	1.5
407.05313	0.6
407.09927	8.6
408.09998	0.8
451.08392	54.0
452.08572	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	451.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39690	0.3
55.01770	0.5
59.01265	13.0
61.98707	2.9
65.00217	0.6
65.03854	0.5
67.01778	0.7
69.03354	0.8
69.94729	0.3
70.80840	0.3
70.96768	0.4
70.97105	0.6
71.01273	8.1
72.99235	0.5
73.02832	1.6
79.01781	0.9
81.03391	0.4
83.01283	1.1
85.02839	2.4
87.00768	1.0
89.02348	1.7
93.03361	59.1
94.03699	1.7
95.01280	1.9
95.75342	0.3
97.02860	1.5
98.65320	0.3
99.00800	0.7
101.02364	3.6
107.01302	8.1
107.04917	0.8
108.88053	0.3
109.02861	1.0
111.00796	2.0
113.02347	2.8
119.03433	0.6
119.04946	1.0
121.02885	0.4
123.00796	11.8
123.04445	0.7
124.01604	0.7
125.02370	54.2
126.02666	1.7
127.00276	1.0
135.04436	0.4
136.98738	1.3
137.02377	100.0
138.02718	4.1
139.00316	4.4
139.03915	0.8
140.01071	2.8
141.01904	1.8
143.03471	0.4
147.04503	0.4
149.02420	0.5
151.00319	9.4
151.03967	0.7
153.01863	1.1
161.02394	0.8
161.04478	1.3
163.00343	0.7
165.01871	0.8
166.99852	0.6
167.03473	0.7
168.00601	3.6
169.01384	73.5
170.01773	2.6
177.01930	0.7
179.03471	1.1
179.84462	0.4
181.01398	0.5
187.00256	0.4
187.03972	0.5
191.03506	0.5
193.01357	0.6
195.02872	0.5
201.01900	0.4
202.99881	0.3
211.02492	3.1
217.01431	0.3
223.02428	0.4
229.14296	0.5
241.03554	2.8
245.00972	0.8
253.03450	0.7
254.85132	0.4
271.04578	2.2
273.00317	1.2
275.01968	0.7
288.02780	0.7
289.03500	0.8
289.07153	1.3
299.04700	0.5
299.07806	6.4
300.99933	1.9
313.05716	73.3
314.06049	5.0
391.23346	0.8
407.09921	10.1
408.10202	1.2
451.08551	58.1
452.08932	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	451.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53251	0.4
57.03354	0.7
59.01266	17.0
59.80605	0.5
60.01611	0.5
61.98720	3.5
65.00233	0.4
68.99731	0.5
69.03358	1.4
69.32414	1.9
69.32848	2.6
71.01274	7.9
72.99227	0.6
73.02858	0.8
79.01812	1.2
83.01312	1.1
85.02856	2.2
87.00803	0.8
89.02337	2.3
91.11465	0.5
93.03365	55.6
94.03714	1.8
95.01325	2.0
96.99252	0.4
97.02882	1.4
98.20586	1.0
99.00761	0.6
100.39178	0.4
101.02374	3.2
101.94942	0.4
107.01294	8.0
107.01949	0.7
107.04959	0.8
109.02901	1.1
110.60468	0.4
111.00831	1.8
113.02358	2.7
117.69876	0.5
119.03442	0.5
119.04996	1.1
123.00810	11.7
124.01635	0.7
125.02373	51.7
126.02714	1.5
127.00333	0.7
136.98764	1.5
137.02380	100.0
138.02710	4.4
139.00314	4.2
139.03949	1.0
140.01112	2.5
141.01859	1.9
151.00317	9.1
151.03961	0.9
153.01846	1.2
154.99832	0.6
161.02454	1.2
161.04478	1.3
163.00299	0.7
165.01791	1.1
166.99857	0.6
167.03418	0.8
168.00603	3.5
169.01385	75.7
170.01718	3.1
173.06114	0.5
177.01851	0.6
179.03439	0.9
183.02893	0.7
189.01912	0.8
193.01358	0.8
211.02449	3.1
219.02965	0.4
223.02477	0.6
229.14384	0.7
240.44077	0.5
241.03438	1.8
245.00981	0.8
253.03430	0.7
271.04489	1.7
273.00528	1.2
274.01056	1.2
275.01892	0.9
287.01773	0.5
288.02496	0.6
289.03491	0.7
289.07123	1.6
299.07813	5.6
300.99866	2.1
313.05734	67.1
314.06067	4.8
391.23328	1.5
407.05313	0.6
407.09927	8.6
408.09998	0.8
451.08392	54.0
452.08572	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	451.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03354	0.5
59.01268	3.1
67.01797	0.7
67.31324	0.5
69.03367	1.3
69.82954	2.5
71.01271	4.4
72.99212	1.1
73.02859	0.9
79.01805	1.0
81.03365	0.7
83.01298	1.7
85.02864	1.3
87.00777	0.8
89.02369	0.7
93.03362	44.5
94.03719	1.7
95.01302	2.1
95.04935	0.5
96.95935	0.5
97.02829	2.5
99.00800	0.6
101.02344	3.2
107.01298	6.8
108.02162	0.5
109.02885	5.3
111.00790	2.3
113.02380	1.8
121.02857	1.1
123.00803	12.6
123.04471	2.8
124.01628	1.6
125.02370	52.5
126.02757	2.2
126.43095	0.4
127.00287	1.3
133.02881	0.8
134.18657	0.5
135.04442	1.3
136.98714	1.0
137.02380	42.5
137.06010	1.3
138.02725	1.3
139.00336	4.7
139.03949	1.1
140.01131	2.4
141.01822	1.7
149.02419	1.5
151.00316	9.5
151.03957	2.3
153.01906	1.0
154.99834	0.7
159.04359	0.9
161.02412	3.1
161.06042	1.3
162.03209	0.8
163.00281	2.2
163.03925	0.8
164.01160	1.1
165.01906	1.7
166.99785	2.2
168.00595	5.1
169.01390	81.5
170.01723	2.8
175.03967	1.7
177.01894	1.4
179.03470	1.8
187.03975	0.9
188.04829	0.6
189.01926	0.5
191.05652	0.7
193.01469	0.6
195.02922	0.5
201.05621	0.5
203.07146	2.5
205.01414	0.7
205.05054	2.1
211.02478	1.7
217.01283	0.5
218.99315	0.5
223.02554	0.6
241.03578	1.4
245.08200	3.7
247.02460	0.7
253.03452	1.1
270.98883	1.0
271.06049	0.7
275.01920	0.8
289.07257	16.1
290.07434	1.3
299.05673	0.6
300.99924	2.3
313.05731	53.0
314.06152	3.0
407.10019	2.5
438.03000	0.6
451.08829	100.0
452.09268	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	450.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.6
59.01266	13.1
60.01602	1.0
61.01697	0.8
61.98718	100.0
63.02280	1.0
65.00201	1.0
69.03342	0.5
71.01273	5.3
72.01612	0.7
72.99206	0.4
73.01684	0.4
73.02842	0.7
78.95798	0.5
79.01816	0.2
83.01279	1.1
84.01613	0.4
85.02859	1.5
86.03172	0.3
87.00768	0.4
88.96302	0.2
89.02344	2.6
90.02686	0.2
93.03382	0.5
93.72053	0.2
95.01302	0.9
96.96872	0.2
99.00799	0.5
101.02352	3.1
102.02686	0.5
103.02768	0.3
104.14141	0.2
107.01311	2.5
107.04939	0.9
108.01644	0.3
109.02827	0.3
111.00829	0.6
113.02353	1.7
114.02679	0.3
115.02854	0.2
117.03343	0.4
118.03699	0.2
119.03436	0.7
119.04948	1.0
119.08966	0.2
121.02920	0.2
123.00800	3.8
124.01612	0.7
125.02381	7.1
126.02767	0.3
127.00365	0.2
135.04448	0.6
136.98729	0.3
137.02390	0.5
137.06035	0.6
137.09631	0.6
138.09972	0.3
139.00320	1.6
140.01105	1.0
141.01878	0.7
143.03430	0.3
149.02382	0.2
151.00320	6.6
152.01006	2.7
153.01563	1.2
159.02914	0.3
161.04482	1.9
162.04868	0.5
163.00407	0.2
163.05132	0.3
166.99799	0.2
168.00613	1.5
169.01378	10.0
170.01740	0.6
177.01886	0.3
178.99832	2.2
179.05673	0.3
180.00227	1.4
189.01918	0.4
191.05589	0.3
196.14175	0.2
197.15509	0.4
198.15804	0.2
203.03642	0.2
211.02415	1.4
217.01535	0.3
225.05620	0.3
225.14981	3.1
226.15321	5.4
227.15509	3.4
228.15813	2.8
245.01031	0.2
260.06540	0.3
261.00696	0.3
269.04675	3.3
270.04971	7.7
271.04739	1.6
287.05347	0.4
288.06174	0.3
289.07278	0.5
289.20453	0.3
300.99805	1.1
313.05838	0.9
389.21826	0.7
390.21951	3.7
391.23715	1.1
450.11374	9.5
451.12573	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	450.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	0.8
58.03674	0.2
59.01266	11.4
60.01603	1.0
61.01700	0.9
61.98718	100.0
63.02283	0.5
65.00221	0.8
67.01797	0.2
68.99696	0.2
69.03339	0.5
71.01276	4.3
71.48177	0.4
72.01610	0.6
72.99194	0.6
73.01701	0.2
73.02843	0.8
74.08794	0.2
78.95793	0.5
83.01261	1.2
85.02836	1.4
86.03167	0.4
87.00774	0.4
89.02333	1.5
90.02682	0.2
95.01289	0.6
97.02863	0.3
97.90565	0.2
99.00774	0.3
101.02347	2.3
107.01310	1.4
107.04944	0.5
108.01646	0.5
109.02859	0.2
111.00781	0.5
113.02362	1.2
114.02710	0.4
115.02827	0.3
119.03426	0.5
119.04966	0.7
121.02946	0.2
123.00812	2.7
124.01588	0.6
125.02377	5.9
127.00429	0.2
134.03539	0.2
135.04527	0.2
136.03922	0.3
136.98801	0.2
137.02379	0.4
137.06044	0.5
137.09691	0.3
138.10002	0.4
139.00287	0.9
140.01102	0.6
141.01886	0.6
145.02914	0.3
151.00317	4.2
152.01076	2.1
153.01466	1.0
161.04482	1.1
162.04852	0.7
163.03848	0.2
163.05080	0.4
164.05226	0.2
166.99875	0.2
168.00632	0.6
169.01385	6.5
169.02798	0.4
170.01736	0.4
178.99840	1.3
179.05635	0.2
180.00182	1.1
190.82904	0.2
195.14021	0.2
196.14203	0.3
197.15651	0.3
198.15837	0.6
199.16167	0.2
208.14128	0.3
211.02499	0.8
212.13608	0.2
217.01563	0.3
225.05577	0.2
225.15007	3.5
226.15317	4.9
226.17429	0.3
227.15540	3.0
228.15759	2.2
230.38986	0.2
245.01010	0.3
246.25447	0.2
260.06281	0.2
269.04663	2.4
270.04968	4.8
271.04919	0.8
271.99643	0.3
273.00290	0.3
287.05505	0.2
288.05969	0.3
289.07281	0.4
297.38962	0.2
301.00153	0.5
303.75815	0.2
313.05896	0.6
321.62830	0.3
334.08972	0.2
388.20712	0.4
389.21350	0.9
390.21994	3.1
391.23502	1.0
450.11359	5.7
451.12546	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	449.2769
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
55.01769	0.9
57.03336	1.2
58.00486	0.5
59.01267	23.2
61.98717	1.4
68.30781	0.3
69.51057	0.6
69.51461	1.8
71.01273	11.1
71.04845	0.2
72.99203	1.1
73.02830	2.8
75.00768	1.8
75.60740	0.2
81.03335	0.3
83.01287	2.0
85.02841	5.3
85.99989	0.4
87.00760	1.5
87.02367	0.3
89.02338	2.4
95.01254	1.3
97.02882	0.5
98.19814	0.5
99.00802	1.2
99.08080	0.4
101.02347	6.6
101.37482	0.3
105.03358	0.3
107.01265	0.3
109.02840	0.3
111.00799	0.8
112.01519	0.3
113.02359	3.1
119.03440	0.4
119.59892	0.2
121.02867	0.4
121.40804	0.3
123.00808	0.3
124.01604	0.4
125.01452	0.3
125.02357	5.5
126.02722	0.3
128.16774	0.2
129.01808	0.3
141.01846	0.3
141.12773	0.8
145.02879	0.3
146.35683	0.2
149.02382	0.4
151.03905	0.3
161.02390	2.8
161.04483	1.4
162.02898	0.3
163.03969	0.4
167.03659	0.2
169.01410	1.2
177.01930	0.4
189.01987	0.2
191.03285	0.3
241.21719	0.3
269.04636	1.1
269.21283	2.5
285.20676	0.5
287.05621	0.6
287.22342	28.0
288.22726	2.3
301.03247	0.5
301.24036	0.3
303.17972	0.3
373.05283	0.3
389.21567	0.7
389.25613	1.8
431.26559	1.8
433.24850	0.3
449.27670	100.0
450.28043	12.5
450.34424	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61018	0.5
55.01773	0.8
57.03339	1.9
58.00476	0.8
59.01264	100.0
60.01600	1.2
60.67254	0.4
61.98724	2.1
65.00209	1.4
69.73879	0.5
71.01269	23.3
71.59838	0.5
71.74291	0.4
72.99197	2.1
73.02834	3.9
75.00780	1.6
81.03374	0.6
83.01288	2.7
85.02842	6.9
87.00789	1.7
89.02335	21.3
93.03384	1.1
95.01297	1.8
95.01994	0.5
97.02861	0.9
99.00779	2.3
99.04459	0.5
101.02341	19.5
107.01308	2.2
108.02056	0.9
109.02871	1.6
111.00797	2.1
113.02356	11.0
117.03400	1.8
119.03419	8.0
119.04925	1.1
121.02880	1.0
122.26098	0.5
122.58295	0.5
123.00790	1.1
123.04461	1.3
124.01533	0.5
125.02365	6.9
131.03458	1.1
135.04445	6.1
136.98730	0.5
137.02396	1.3
139.00287	2.8
142.44122	0.4
143.03430	1.8
145.02945	1.2
149.02370	1.5
149.04538	0.6
151.00311	7.9
151.03905	0.6
152.00911	0.6
153.01875	4.4
156.72331	0.6
159.02986	0.8
159.04541	0.7
161.02361	1.7
161.04521	8.7
163.00343	1.3
163.03957	1.2
165.01865	1.5
166.99881	0.8
167.03471	1.9
169.01398	2.5
177.01947	0.9
178.99881	0.6
179.03496	0.9
179.05554	2.3
181.01395	1.8
191.05621	0.6
193.01385	1.5
197.15437	1.0
205.05014	0.7
227.95966	0.4
256.03381	0.6
257.03540	1.1
259.06137	1.6
269.04684	2.1
270.99225	0.5
271.02533	0.7
272.03070	0.8
273.03406	1.2
283.06247	0.6
287.05679	11.1
287.22345	0.6
288.06003	0.6
289.07251	0.9
300.02844	0.6
300.99911	1.1
301.03418	1.8
302.03497	3.2
303.04254	1.7
313.05856	0.9
359.20825	72.7
360.21198	7.6
373.08578	0.9
389.22021	3.0
390.22614	0.7
410.54715	0.5
449.10400	8.3
449.17221	2.0
449.27969	4.5
450.11023	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39127	0.4
51.87368	0.4
57.03338	0.8
58.00475	1.3
59.01265	100.0
60.01603	1.1
61.98717	3.4
70.38315	0.9
70.38733	1.3
71.01270	23.3
72.99200	1.3
73.02836	1.3
83.01286	0.7
85.02842	4.0
87.00790	1.5
89.02338	34.3
91.75452	0.5
93.03424	0.5
95.01301	1.8
98.20589	0.7
101.02345	13.8
113.02357	11.4
116.50233	0.4
119.03423	16.4
119.04249	0.9
125.02381	1.2
125.59827	0.4
131.03442	1.8
136.30598	0.4
137.02402	1.3
138.03140	0.6
138.95625	0.4
143.03442	3.7
143.60562	0.4
149.04547	1.4
151.00386	0.5
153.09125	5.1
156.30789	0.5
158.12305	0.5
159.03055	0.5
161.04486	8.0
169.01419	0.7
169.12231	2.1
179.05583	14.2
199.29030	0.5
209.15472	4.2
227.12897	1.1
227.16652	0.9
301.00162	0.5
301.03564	0.5
302.03714	1.0
303.04712	0.5
389.21915	41.1
390.22260	5.5
410.56119	0.5
449.09958	2.2
449.20618	1.7
449.27921	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01785	0.3
57.03328	0.5
57.39014	0.3
58.00496	0.4
59.01265	100.0
60.01599	0.8
61.98721	0.6
65.00201	0.7
69.53274	2.3
71.01271	11.1
71.28893	0.2
72.99220	0.5
73.02852	1.6
80.45696	0.3
83.01302	1.3
85.02843	3.2
87.00791	0.5
89.02338	12.6
89.02901	0.7
95.01308	0.8
97.02847	0.4
98.19781	0.3
99.00800	0.6
101.02348	8.0
107.01324	1.7
109.02911	0.5
113.02357	4.9
119.03419	4.8
119.04877	0.3
123.00829	0.4
125.02367	1.2
131.03436	0.6
135.04454	6.3
139.00414	0.3
143.03447	1.5
145.02902	0.7
151.00317	9.2
152.00658	0.7
153.00735	0.5
153.09164	1.2
159.02934	0.5
161.02464	0.5
161.04503	3.7
163.00320	0.3
169.01357	1.3
179.05591	3.9
197.15527	0.4
209.15523	1.1
243.03004	0.5
245.03679	0.4
255.03033	0.9
256.03195	0.7
257.03497	1.4
271.02588	1.8
272.02936	1.3
272.64017	0.3
273.03125	3.0
287.05676	5.4
288.06058	0.7
300.02802	2.4
301.00067	0.6
301.03275	3.3
302.03485	7.1
303.04156	3.5
359.20837	20.1
360.21188	2.3
389.21902	9.4
390.22446	1.0
449.10043	7.9
449.24188	0.5
450.10263	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03348	0.8
59.01268	100.0
60.01604	1.2
61.98709	0.5
65.00197	0.4
70.47074	0.7
70.47465	0.5
71.01269	4.2
72.99235	0.4
73.02844	1.5
81.03342	0.4
83.01292	1.2
85.02856	1.5
87.00784	0.4
89.02352	1.1
93.03400	0.5
95.01289	0.5
96.95935	0.4
97.02858	0.3
99.00817	0.6
101.02357	2.3
107.01313	0.5
109.02873	0.3
113.02375	2.3
119.03458	0.3
121.02913	0.3
125.02367	7.1
137.02435	0.3
143.03448	0.5
145.37837	0.3
149.02400	0.7
150.17923	0.3
151.00328	1.6
152.01111	0.4
153.01878	0.6
155.10754	0.4
161.04515	3.9
165.01926	0.8
169.01353	0.4
173.06090	0.6
174.67841	0.3
174.70271	0.3
177.02019	0.3
178.99863	0.8
203.03722	0.4
227.16586	1.0
229.27824	0.3
241.05234	0.3
259.06204	4.1
269.04614	4.7
275.01471	0.3
286.98593	0.3
287.05682	2.9
288.06146	0.3
381.47165	0.3
389.21909	5.0
390.22531	0.5
449.11157	4.4
450.11148	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1511
Annotation	Suvorexant
Peak:m/z	Relative Intensity
52.96526	0.4
59.00995	0.6
59.01267	9.4
61.98706	1.4
62.96298	22.9
70.41784	0.4
71.01270	1.4
71.58599	0.5
72.26703	0.4
78.95798	54.1
80.97367	30.3
80.97740	0.5
80.97867	0.6
96.96813	0.6
101.02379	0.5
107.96452	0.4
117.69442	0.4
120.67039	0.4
149.00041	13.3
161.04468	0.5
179.01109	1.4
191.80490	0.5
205.15959	6.5
206.16351	0.7
237.38145	0.5
242.98289	5.8
285.12769	1.4
302.03531	0.7
355.16876	16.7
356.17258	1.7
385.17963	21.6
386.18140	2.9
389.21893	0.7
393.97189	0.5
400.65262	0.5
433.60944	0.5
443.04245	0.5
449.15106	100.0
450.15436	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	449.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03348	0.8
59.01268	100.0
60.01604	1.2
61.98709	0.5
65.00197	0.4
70.47074	0.7
70.47465	0.5
71.01269	4.2
72.99235	0.4
73.02844	1.5
81.03342	0.4
83.01292	1.2
85.02856	1.5
87.00784	0.4
89.02352	1.1
93.03400	0.5
95.01289	0.5
96.95935	0.4
97.02858	0.3
99.00817	0.6
101.02357	2.3
107.01313	0.5
109.02873	0.3
113.02375	2.3
119.03458	0.3
121.02913	0.3
125.02367	7.1
137.02435	0.3
143.03448	0.5
145.37837	0.3
149.02400	0.7
150.17923	0.3
151.00328	1.6
152.01111	0.4
153.01878	0.6
155.10754	0.4
161.04515	3.9
165.01926	0.8
169.01353	0.4
173.06090	0.6
174.67841	0.3
174.70271	0.3
177.02019	0.3
178.99863	0.8
203.03722	0.4
227.16586	1.0
229.27824	0.3
241.05234	0.3
259.06204	4.1
269.04614	4.7
275.01471	0.3
286.98593	0.3
287.05682	2.9
288.06146	0.3
381.47165	0.3
389.21909	5.0
390.22531	0.5
449.11157	4.4
450.11148	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	10.3
64.00115	1.0
67.01777	1.3
69.34668	2.0
69.35069	8.3
71.01266	5.0
72.99193	1.6
73.02851	1.4
85.02853	1.2
87.00768	1.2
89.02348	3.8
95.01315	1.7
97.02835	1.2
98.20512	1.5
101.02330	3.0
107.01302	4.3
111.00806	1.8
115.31548	1.1
123.00817	13.4
125.02368	20.1
126.02699	1.3
136.98749	1.0
139.00293	3.9
140.00998	1.5
141.01884	1.7
151.00279	8.1
156.57979	0.8
168.00591	4.4
169.01369	23.4
211.02426	6.7
271.04712	9.2
279.32410	1.1
313.05804	2.5
449.13083	100.0
450.13345	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	449.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32875	0.9
59.01271	7.7
70.72907	2.5
71.01264	4.1
73.02837	1.2
83.01257	1.0
85.02843	1.3
87.00809	0.8
89.02346	3.7
93.03342	0.8
95.01288	1.3
101.02367	2.9
107.01283	3.7
111.00797	1.5
113.02382	1.6
116.52168	0.8
119.03395	1.7
121.02735	0.8
123.00793	9.2
123.21157	0.8
125.02370	17.1
134.96967	0.7
139.00314	3.3
140.01060	1.5
141.01851	2.1
150.03236	1.1
151.00323	7.6
153.01932	1.0
154.99828	0.8
167.03511	0.8
168.00572	3.2
169.01376	25.0
170.01784	1.2
181.39919	0.8
189.58310	0.7
211.02397	5.8
271.04593	7.9
287.05917	1.0
313.05771	1.9
387.09164	1.5
389.21613	0.9
449.13101	100.0
449.50342	1.0
450.13480	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	449.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24946	0.2
57.03356	0.3
59.01267	5.4
60.01606	0.2
61.98721	100.0
69.03365	0.3
71.01276	3.3
71.56622	0.3
73.02851	1.0
75.00801	0.2
83.01311	0.5
85.02858	1.3
89.02327	1.3
95.01304	0.3
99.00784	0.3
100.10699	0.2
101.02362	2.5
113.02324	1.2
119.03443	0.4
125.02388	0.4
131.03464	0.7
139.00299	0.2
143.03490	0.3
149.04572	0.5
151.00337	0.3
161.04539	1.0
168.44713	0.2
169.01453	0.3
191.05666	0.2
251.16502	0.2
254.09592	0.9
287.12909	2.1
301.03418	0.4
317.19708	1.3
389.21771	0.4
449.18060	0.4
449.23245	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.4
59.00991	0.5
59.01269	6.6
60.01605	0.6
61.01685	0.4
61.98721	2.8
63.02283	1.2
64.99888	0.7
65.00210	10.4
65.09785	0.4
67.01787	0.4
71.01286	1.2
71.35383	0.8
72.69274	0.3
73.02831	0.4
75.00793	0.3
77.57394	0.3
78.95800	0.7
79.01777	0.5
81.03378	0.4
83.01290	4.5
85.49509	0.3
89.02340	1.1
92.08150	0.4
93.03381	1.2
95.01292	0.9
96.96870	0.4
97.02838	0.5
99.00795	0.4
101.02361	1.0
107.01299	19.9
107.04964	0.4
108.02130	0.8
109.02872	3.7
113.02391	0.7
113.51236	0.4
117.03355	0.5
121.02881	0.7
123.00829	1.4
124.01644	0.5
125.02376	5.2
126.02753	0.4
129.35495	0.3
131.01358	1.4
133.02831	0.5
134.03685	1.4
135.04453	80.8
136.04778	3.4
137.02367	1.4
138.01970	0.8
138.02953	0.4
141.01967	0.4
145.02892	0.6
149.02376	0.8
151.00314	100.0
152.00624	4.8
159.04546	0.5
161.02477	2.2
161.04556	0.7
163.00296	1.0
165.01900	1.6
167.03430	0.7
169.01353	3.1
173.02405	0.4
175.00327	7.4
175.04019	0.4
177.01917	1.3
178.99927	1.0
193.01430	2.6
201.01939	0.3
203.03552	0.6
205.01450	0.5
210.63501	0.3
217.01419	0.5
225.05424	0.5
245.00957	0.9
266.02356	0.4
269.04611	4.1
270.98892	0.4
271.99722	0.5
273.00357	0.9
274.00854	0.4
275.02090	0.4
281.06848	0.4
285.04092	0.7
286.04211	1.5
287.05685	97.4
288.06012	8.3
300.99979	1.5
302.00262	0.4
311.05878	0.6
313.05768	1.3
329.06836	0.6
371.20792	0.4
382.54166	0.4
389.21445	0.7
396.55814	0.5
418.55411	0.6
419.05710	0.5
432.54947	0.6
449.11072	5.7
450.11456	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1099
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
54.85510	0.3
57.03346	0.4
58.00452	0.3
59.01265	12.7
61.98717	6.0
63.02275	1.3
65.00211	9.0
66.00546	0.3
69.10870	0.3
69.43836	2.5
71.01271	5.0
73.02829	1.1
75.00761	2.7
76.01116	0.5
77.01163	0.5
82.87473	0.3
83.01272	5.0
85.02847	1.9
87.00765	0.3
89.02338	2.3
95.01308	0.6
96.95930	0.4
97.01613	0.6
98.00014	0.3
99.00797	1.4
101.02361	3.1
107.01297	17.9
108.02145	0.4
109.02850	2.0
113.02343	2.1
119.03442	1.0
123.00818	0.7
124.07581	3.2
125.02373	4.3
131.29071	0.3
134.03651	1.1
135.04445	70.6
136.01556	0.6
136.04774	3.3
137.02359	0.6
139.00259	0.4
143.03477	0.3
145.02853	0.4
151.00307	100.0
152.00653	4.0
155.10715	0.5
159.02925	0.4
159.04324	0.4
161.02357	1.0
161.04501	4.9
163.00299	0.9
164.00992	1.0
165.01869	1.2
169.01396	2.2
174.03146	0.3
175.00175	0.3
175.03833	0.3
177.01886	1.0
179.05679	0.5
196.00127	0.3
199.03954	0.6
201.02049	0.4
203.03465	0.3
217.01164	0.3
240.08070	0.3
243.15091	0.5
255.03215	0.3
257.03622	0.4
269.04605	0.5
271.02289	0.3
273.03116	0.4
275.02014	0.5
286.04898	0.5
287.05667	70.5
287.14063	7.5
288.06064	6.2
288.14389	0.4
297.09851	1.0
300.02936	0.6
300.99948	1.6
301.03336	1.2
302.00220	0.5
302.03314	1.3
303.00348	0.9
303.04163	1.1
323.14023	0.3
329.15189	0.7
330.45123	0.3
353.64804	0.3
389.21869	6.3
390.22321	0.6
396.55176	0.4
410.05005	0.5
410.54956	2.8
411.05484	0.5
427.67920	0.3
449.10907	26.9
450.11154	3.4
473.26572	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07008	0.5
59.01262	11.1
61.98717	100.0
69.30321	0.6
69.63583	4.6
71.01259	1.1
78.95811	2.1
85.02813	0.8
88.33698	0.6
89.02350	0.9
98.20552	1.3
101.02341	0.8
119.54203	0.6
126.67304	0.5
129.43079	0.7
136.22575	0.6
145.04272	0.5
151.00339	0.7
152.99565	1.7
161.04599	0.9
165.56665	0.5
233.53966	0.7
272.03079	1.4
273.03589	0.6
300.02850	1.2
301.03229	3.2
302.03867	1.9
448.09946	3.4
449.32785	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1101
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
53.16876	0.4
57.03340	5.5
59.01270	100.0
60.01600	3.5
61.01693	2.0
61.98722	71.2
62.41162	0.5
62.98428	1.1
63.02276	0.8
63.99152	0.9
65.00226	2.0
68.99713	0.6
69.03376	0.5
71.01275	7.4
72.99214	0.6
73.02842	1.5
81.03358	1.5
83.01294	5.2
83.37052	0.4
84.63374	0.5
85.02857	3.0
87.00786	1.1
89.02354	4.4
93.03352	2.1
93.56973	0.5
95.01299	1.6
96.07295	0.5
97.02876	1.0
99.00786	1.0
100.49757	0.5
101.02355	4.3
107.01289	4.0
107.04932	1.5
108.02106	0.5
109.02869	1.7
109.92503	0.5
111.00784	1.2
113.02362	3.8
113.31389	0.4
117.03380	1.6
119.03418	1.3
119.04927	0.7
121.02877	4.1
123.00806	1.3
123.04443	0.7
124.01642	0.8
125.02376	60.5
126.02731	1.8
131.04945	0.6
133.02899	1.5
135.04497	1.2
137.02406	2.1
139.00308	0.6
139.03961	1.6
145.02887	0.7
147.00777	0.5
149.02377	6.1
151.00314	14.7
152.01155	2.5
153.01894	5.6
156.05774	0.5
157.06511	0.8
159.03014	0.7
159.04449	1.1
161.02351	1.3
161.04503	4.7
163.00342	1.8
164.01237	0.5
165.01886	9.2
167.03433	0.9
169.01396	2.2
169.06575	0.7
170.01807	0.4
172.05273	0.9
173.06036	2.8
175.03957	1.3
176.01137	1.3
177.01875	0.7
177.05548	1.7
178.99835	10.8
179.03435	3.0
179.05559	1.2
180.77921	0.5
181.06558	0.6
186.82530	0.5
191.03377	1.2
193.01550	0.6
197.06036	2.1
199.04025	0.5
199.07681	1.3
200.04695	0.7
201.05598	1.5
203.03461	1.4
205.01454	0.6
213.05630	0.8
215.07121	2.4
217.01425	1.0
225.05522	2.6
227.16620	0.6
229.71323	0.6
231.03262	0.4
241.05136	2.1
243.06660	3.8
247.02336	0.6
259.06186	54.0
260.06488	3.4
269.04623	47.3
270.04916	4.0
273.00522	1.2
274.01080	0.6
275.01096	0.6
283.06268	1.0
287.05692	32.8
288.05966	3.3
289.07275	0.6
300.99985	1.3
301.07022	0.5
303.01431	0.7
311.05682	1.1
316.99432	0.6
341.05511	0.5
342.05975	1.1
389.21899	8.0
390.21768	0.5
421.11542	1.5
431.10049	1.3
449.11023	42.0
450.11362	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	448.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98940	0.1
52.16710	0.1
53.02254	0.1
57.03334	0.4
59.01266	11.0
60.01604	1.0
61.01699	0.4
61.98719	100.0
62.98415	0.3
71.01271	1.6
72.01605	0.3
72.99223	0.3
73.02839	0.4
79.00138	0.1
82.52008	0.1
83.01270	0.3
85.02856	0.6
89.02344	0.9
93.03403	0.2
94.01996	0.1
95.01273	0.2
99.00795	0.3
101.02343	1.3
102.02713	0.1
107.01328	0.2
109.02843	0.2
111.00807	0.2
113.02354	0.8
114.02685	0.2
119.03418	0.3
121.02920	0.2
122.03713	0.2
123.00789	0.4
123.04449	0.2
125.02386	1.3
135.04443	0.8
137.02388	0.7
139.00319	0.3
139.79912	0.1
147.08086	0.2
151.00337	0.5
151.03947	0.2
153.01782	0.1
153.09169	0.4
154.09512	0.3
158.00742	0.1
161.02417	0.2
161.04509	1.4
162.04810	0.6
163.00345	0.2
163.04956	0.4
165.01895	2.3
169.01384	1.3
173.04457	0.2
175.03885	0.2
179.03575	0.2
179.05722	0.3
179.10718	1.4
180.11096	1.8
181.11371	0.7
182.11584	0.5
190.02679	0.1
191.03529	0.2
201.01895	0.2
203.03586	0.2
205.01358	0.1
205.12354	1.2
206.12668	2.0
207.12935	0.8
208.13077	0.6
217.01387	0.2
223.13487	0.2
224.13853	0.3
225.15144	0.6
226.15382	0.9
229.01584	0.2
231.03235	0.2
243.06757	0.3
245.00981	0.2
245.32695	0.2
247.02440	0.2
259.02499	0.2
271.02618	0.4
274.01221	0.3
275.02090	0.4
285.00409	0.2
287.02347	0.3
287.05811	1.4
287.08575	0.2
295.85281	0.2
299.99399	0.1
300.99896	1.0
313.05679	0.2
316.02313	1.2
317.03183	0.2
344.17319	0.2
385.11462	0.3
387.20505	0.3
388.20718	1.4
389.21899	0.8
405.12366	0.3
448.05835	0.3
449.07089	0.5
449.12491	0.7
449.24301	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94576	0.1
57.03339	0.7
59.01268	15.4
60.01597	0.7
61.01699	0.8
61.91370	0.1
61.98721	100.0
62.98422	0.2
63.98165	0.1
65.00217	0.2
65.65470	0.1
67.01794	0.1
68.35497	0.1
69.39478	0.1
71.01276	1.3
71.13761	0.2
72.01627	0.2
73.01682	0.2
73.02855	0.2
81.03342	0.1
83.01289	0.5
85.02857	0.5
87.00792	0.1
89.02348	0.9
90.02670	0.1
91.02769	0.2
93.03384	0.1
95.01274	0.3
97.02868	0.2
99.00793	0.2
101.02353	0.8
102.02682	0.2
107.01293	0.4
107.04898	0.1
113.02371	0.6
114.02706	0.1
117.03380	0.1
119.03410	0.2
120.03764	0.1
120.06647	0.1
121.02834	0.3
122.23645	0.1
123.00754	0.2
123.04374	0.1
125.02370	5.3
137.02385	0.2
139.03883	0.1
145.02849	0.2
149.02373	0.6
151.00316	1.2
151.07494	0.1
152.01059	0.3
152.07997	0.1
153.01932	0.4
153.09192	0.5
154.09464	0.3
155.09674	0.2
156.09938	0.1
157.06459	0.1
161.02336	0.2
161.04503	0.7
162.04811	0.2
163.00261	0.1
163.05003	0.1
165.01912	0.4
166.34138	0.1
167.03432	0.2
167.84441	0.1
169.01367	0.5
171.04384	0.1
173.06004	0.2
175.04015	0.1
177.01929	0.2
177.05435	0.1
178.99835	0.9
179.03384	0.2
179.05562	0.2
181.06180	0.2
189.01836	0.2
191.03461	0.2
197.06093	0.1
197.93417	0.1
199.07745	0.1
201.01871	0.1
201.05479	0.2
203.03369	0.2
205.12250	0.1
206.12621	0.2
215.07071	0.2
217.01357	0.2
223.13364	0.1
224.13612	0.2
225.05505	0.2
225.14061	0.1
241.04948	0.2
243.06488	0.3
245.00993	0.2
246.01299	0.2
247.02338	0.1
259.03534	0.2
259.06174	4.0
269.04620	3.5
273.00311	0.4
274.00937	0.5
275.01895	0.2
283.05814	0.1
287.05701	3.1
301.00009	0.5
310.46915	0.1
316.15350	0.1
316.99448	0.1
342.05704	0.2
386.18698	0.2
387.19177	0.2
388.19769	1.0
389.21524	0.4
420.02658	0.2
449.11044	4.4
466.30237	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	447.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21220	1.2
55.01766	1.5
57.03342	17.3
59.01268	86.7
61.89627	1.0
61.98726	1.2
65.00377	1.1
69.03339	2.5
71.01270	25.9
71.04900	2.6
71.33794	1.4
71.34138	1.3
73.02837	6.1
75.88349	1.1
83.01282	2.2
85.02843	14.0
87.00835	1.4
89.02341	3.3
95.01276	1.6
97.06479	1.3
99.00806	2.4
99.04358	1.1
101.02354	10.1
113.02361	8.4
121.10134	1.4
123.08050	4.2
137.09663	14.5
151.11224	4.9
153.09134	2.6
153.12845	6.8
161.04532	10.9
163.11266	5.4
179.14398	3.6
181.12321	7.6
189.12953	1.3
195.13884	12.2
197.15480	13.5
207.13921	9.4
225.14986	100.0
226.15231	6.9
228.15474	1.1
294.93954	1.2
387.20447	8.6
436.73480	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	3.9
58.00472	1.0
59.01263	100.0
60.01604	1.3
61.98711	3.1
63.02283	1.0
63.09468	0.4
65.00222	1.9
71.01269	24.5
71.60101	0.8
72.99204	1.9
73.02843	2.3
83.01282	2.7
83.04933	0.5
84.39329	0.4
85.02836	3.9
87.00774	1.6
89.02335	35.3
90.02670	0.5
93.03354	1.4
95.01270	1.7
95.58066	0.5
97.02872	0.8
99.00758	0.9
101.02348	12.5
103.87225	0.5
107.01293	4.3
108.02070	1.4
109.02876	3.6
113.02354	10.0
117.03353	0.8
119.03416	12.1
119.04916	0.9
121.02864	2.8
123.00813	1.1
123.04395	0.8
125.02364	16.6
126.02711	0.6
131.03430	1.4
135.04472	0.5
137.02374	1.3
139.00255	0.6
139.03903	0.5
142.06535	0.6
143.03447	2.8
145.02913	5.0
146.03224	2.4
147.03452	0.5
148.01630	1.3
149.02367	1.9
149.04555	0.8
149.09689	0.7
150.03165	0.9
151.00299	13.0
151.03923	1.0
152.01099	1.1
153.01851	1.8
159.03018	0.6
159.04449	1.1
161.02446	0.7
161.04504	5.7
161.05840	0.7
163.00317	3.3
163.04001	0.5
164.00964	0.5
165.01926	1.1
165.05542	1.4
166.99864	0.5
169.01427	3.3
174.03290	0.6
175.04016	3.3
177.01881	3.7
178.30664	0.4
178.99826	6.9
179.05571	11.9
183.04495	0.6
187.03976	1.1
188.04640	0.7
189.05507	0.7
190.99854	0.6
191.03499	0.5
192.00406	0.7
192.33438	0.5
198.03432	0.5
199.04025	2.3
200.07132	0.6
201.01971	0.5
201.05501	0.7
205.05029	0.5
207.13919	1.3
211.04034	1.0
211.13313	3.0
216.04161	0.7
217.05038	2.0
225.05554	4.4
225.14951	1.6
226.02736	0.8
227.03500	2.8
229.05087	1.1
237.80801	0.4
239.03467	0.7
241.05196	1.0
242.08311	2.7
243.03000	6.1
244.03494	0.5
245.00874	0.5
245.04628	1.8
247.06178	0.7
253.09422	0.6
254.02232	1.1
255.03026	17.4
256.03433	2.1
257.04388	0.5
271.02527	34.3
272.02985	4.0
273.04114	1.8
275.02051	0.6
275.05536	0.9
283.02493	2.0
285.04099	12.5
286.04474	1.0
298.98483	0.5
299.02005	1.2
300.02811	61.4
301.03546	51.8
301.06503	0.8
302.03979	4.0
303.05154	10.4
304.05508	1.5
387.20227	6.5
388.20697	0.5
447.09396	54.4
447.22443	1.7
448.08981	6.6
448.14282	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	447.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00480	0.4
59.01265	100.0
59.90902	0.3
60.01601	1.0
61.98705	0.4
62.76135	0.3
71.01270	9.1
72.99206	0.6
73.02828	0.9
81.26930	0.3
82.19939	0.4
83.01269	0.5
85.02857	1.3
87.00763	0.5
89.02340	13.7
89.99031	0.4
95.01302	0.9
97.55460	0.3
98.20570	0.7
99.00781	0.5
101.02347	5.6
105.66225	0.4
113.02370	4.5
119.03429	5.8
120.03787	0.3
125.02377	0.5
131.03416	0.9
142.16435	0.3
143.03456	1.7
161.04497	4.2
169.01421	0.8
179.05560	6.8
225.15047	1.2
229.44728	0.5
271.02554	0.4
284.03552	0.4
285.04166	0.5
299.99106	0.8
300.02734	0.5
301.00043	0.4
314.00696	0.3
315.01624	1.0
329.58670	0.3
387.20273	4.4
447.09653	1.1
447.22647	2.3
469.84573	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.5
57.03335	0.6
59.01267	100.0
60.01602	1.1
68.61732	0.3
71.01273	9.6
72.99231	0.3
73.02836	2.2
83.01301	0.8
85.02850	3.7
87.00783	0.4
88.42061	0.2
89.02335	4.3
89.02834	0.4
95.01287	0.9
98.20551	1.0
99.00794	1.0
101.02348	7.0
111.00813	0.5
113.02348	4.1
119.03423	1.8
125.02377	0.5
131.03433	0.4
143.03476	0.8
159.02963	1.1
161.04506	10.1
161.05836	0.5
179.05617	0.7
225.15005	2.1
229.87828	0.3
245.40637	0.2
270.98843	0.3
300.99939	0.4
314.00931	0.3
387.20358	19.3
388.20657	2.3
427.01840	0.3
435.25735	0.3
447.22708	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.9
57.03339	0.9
59.01268	100.0
60.01611	0.7
61.98728	0.5
71.01273	8.1
71.07229	0.9
73.02863	1.8
82.71461	0.4
83.01278	0.9
85.02849	2.7
88.40868	0.4
89.02347	3.7
95.01331	0.8
99.00810	1.1
101.02358	5.8
109.35948	0.5
113.02351	4.3
119.03433	1.9
123.08147	1.0
125.02425	0.7
134.98482	0.4
137.09705	0.7
138.06764	0.5
143.03419	0.7
153.09190	1.2
159.02951	0.7
161.04521	7.8
163.11259	0.8
169.01431	1.1
172.72165	0.5
179.05583	2.5
189.12856	1.5
207.13826	2.8
225.14928	4.0
226.15491	0.8
262.63284	0.4
275.02167	0.7
300.99774	0.9
369.19299	1.2
387.20358	11.4
388.20834	1.3
447.14249	0.9
447.22739	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81286	0.3
56.63823	0.4
57.03348	0.4
59.01265	100.0
60.01616	0.5
61.98728	0.4
69.52734	3.2
71.01270	9.3
73.02840	0.9
75.00754	0.4
75.06465	0.4
83.01277	0.6
83.46472	0.4
85.02867	1.8
87.00797	0.8
89.02341	13.5
90.47260	0.3
93.70904	0.3
95.01325	0.6
99.00777	0.8
100.48441	0.4
101.02345	6.7
109.46178	0.4
113.02363	5.2
119.03414	6.0
121.02889	0.5
125.02393	1.1
128.52283	0.4
131.03452	0.7
141.53032	0.4
143.03474	1.5
149.04518	0.8
159.02960	0.4
161.02428	0.4
161.04515	5.3
163.00298	0.4
168.00729	0.4
169.01419	0.7
179.05594	6.7
214.40094	0.3
225.15063	0.9
232.98355	0.4
271.02472	0.7
275.02136	0.4
284.03595	0.6
285.04193	0.8
286.04364	0.4
298.98572	0.4
299.99384	1.6
300.02731	0.8
301.00104	1.1
301.03613	0.4
314.00888	0.5
315.01727	1.2
387.20303	4.9
447.05011	0.6
447.09808	1.1
447.22427	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	447.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.5
58.00486	0.5
59.01266	100.0
60.01607	0.8
60.15631	0.4
61.98715	2.8
71.01269	8.1
72.99165	0.7
73.02840	1.0
83.01321	0.6
85.02863	1.4
88.98750	0.5
89.02339	9.7
95.01282	0.6
98.20661	0.7
101.02338	5.6
113.02370	4.3
119.03426	3.7
121.02921	1.2
125.02328	1.1
130.66119	0.4
131.03450	0.8
139.58641	0.5
143.03452	1.0
154.09294	0.5
159.02966	0.4
161.04503	4.5
163.06107	1.0
169.01439	0.8
179.05600	3.6
189.12842	1.2
204.31459	0.5
217.01494	0.6
225.11494	0.4
245.01149	0.7
273.00461	1.5
285.04150	0.4
301.00006	1.2
387.20374	8.4
447.14743	1.1
447.22580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67761	0.4
55.01767	0.5
57.03336	1.3
59.01265	100.0
60.01614	1.0
61.98725	0.5
63.46712	0.4
69.32366	3.8
71.01270	16.3
71.04894	0.6
72.99194	0.6
73.02836	3.6
73.35156	0.4
81.03341	0.5
83.01291	1.3
85.02853	5.5
87.00761	1.0
87.12117	0.5
89.02335	7.2
95.01293	1.0
97.02884	0.9
99.00800	1.7
101.02340	9.5
113.02361	7.1
119.03421	3.1
123.74577	0.5
125.02406	1.8
129.01831	0.4
131.07210	0.5
137.09686	0.4
138.06792	4.2
143.03479	1.7
153.09143	11.3
154.09576	0.7
159.02991	1.8
159.56268	0.4
161.04512	19.1
163.11327	0.4
169.01413	0.6
179.05583	3.0
207.13980	1.7
211.07967	0.4
221.15988	0.5
225.14978	30.1
226.15356	1.6
243.49232	0.5
301.00021	0.9
345.59247	0.4
369.19351	1.8
387.20322	29.9
388.20712	3.3
447.14993	0.5
447.16849	0.5
447.22250	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	100.0
60.01604	1.3
61.04710	0.4
61.98728	4.2
69.93572	1.1
69.93966	0.8
71.01273	6.6
72.99227	0.5
73.02853	1.5
73.89416	0.4
83.01279	0.6
85.02846	2.0
87.00819	0.5
89.02332	4.6
91.29828	0.3
95.01311	0.9
101.02356	4.6
113.02345	3.1
119.03449	1.7
123.00769	0.5
123.08109	1.1
123.43825	0.4
125.02386	1.2
136.50725	0.4
143.03444	0.9
145.02945	0.4
153.09177	1.0
159.02940	0.5
161.02499	0.4
161.04488	5.6
161.05621	0.4
162.05023	0.4
163.00267	0.4
163.11264	1.2
169.01411	0.9
174.63205	0.4
179.05548	2.0
181.05020	0.4
181.69260	0.4
189.01907	0.9
189.12897	1.5
193.49942	0.4
207.13943	3.5
211.09789	0.6
217.01462	1.8
222.89842	0.3
223.13562	0.5
225.14992	1.6
236.37080	0.4
243.82533	0.4
245.00958	2.4
246.01250	0.4
247.02608	0.9
273.00476	6.1
274.00970	0.8
275.02100	0.9
301.00043	1.3
387.20346	6.7
388.21051	0.9
419.02704	3.8
420.03073	0.7
447.02014	2.1
447.22610	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.6
57.03360	0.3
59.01266	100.0
60.01608	1.0
61.98719	0.4
69.53565	1.5
71.01271	9.5
72.99195	0.3
73.02840	2.8
83.01294	0.9
85.02843	4.0
87.00793	0.3
89.02337	3.9
89.02832	0.3
95.01281	0.6
99.00763	1.2
101.02352	7.5
101.03007	0.5
102.02759	0.2
113.02361	4.6
119.03406	1.8
124.22148	0.2
125.02385	0.6
129.01920	0.2
139.86070	0.2
143.03441	1.1
159.02980	1.0
161.04509	10.8
168.00580	0.3
169.01344	0.4
179.05594	1.0
205.03551	0.4
225.14925	1.7
270.99002	0.3
301.00018	0.3
301.03418	0.3
301.57553	0.3
314.01047	0.3
377.30280	0.3
382.17087	0.2
387.20361	19.0
388.20700	2.2
431.19370	0.6
432.61859	0.2
447.05783	0.4
447.22614	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	2.1
59.02267	0.1
62.96280	1.0
78.95794	39.2
80.91590	0.2
89.02338	0.2
96.96866	2.7
111.65627	0.2
112.11681	0.1
121.02898	0.3
149.00035	19.3
150.00325	0.4
151.00311	0.2
151.01572	0.2
152.99510	0.4
158.92482	1.8
179.01100	2.7
180.01526	0.2
197.03052	0.1
205.16008	1.6
211.13431	0.5
225.14963	0.3
229.21556	0.1
240.96747	0.3
243.03029	0.2
255.03043	0.4
267.11679	0.6
271.02490	0.6
284.57068	0.1
300.02863	1.4
301.03683	1.0
322.98123	0.2
333.06876	0.2
347.08240	0.5
374.20074	0.2
387.20163	0.2
417.12735	0.8
418.12592	0.2
431.10367	2.4
432.10510	0.4
447.13535	100.0
448.13892	11.0
453.57114	0.1
464.10162	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	5.7
60.45929	0.1
61.98702	0.7
62.96290	1.1
67.79194	0.2
70.16297	0.8
71.01263	0.6
78.95792	39.2
79.66097	0.2
85.02827	0.3
89.02332	0.4
96.96868	3.3
98.19799	0.2
99.22706	0.2
101.02337	0.4
107.01295	0.3
113.02367	0.4
119.03400	0.3
121.02853	0.3
125.02357	0.3
149.00029	18.7
150.00372	0.3
151.00351	1.0
151.01445	0.3
152.99513	3.3
153.09067	0.2
158.92477	1.8
158.97818	0.2
161.04474	0.5
163.00241	0.2
169.01381	0.3
178.12415	0.2
178.99800	0.3
179.01135	2.5
179.05501	0.2
205.15962	1.5
211.04092	0.2
211.13374	1.4
225.14975	0.6
227.03485	0.3
240.96788	0.4
243.03027	0.4
245.04684	0.2
255.03079	1.2
267.11725	0.4
271.02493	2.6
283.02618	0.2
300.02811	4.3
301.03525	3.6
302.03900	0.4
316.35025	0.2
347.08353	0.5
387.20337	0.5
417.12772	0.9
431.10422	2.6
432.10782	0.4
447.13574	100.0
448.13934	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	447.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.3
56.11200	0.2
59.01264	2.3
61.01628	0.2
69.03323	0.2
70.52048	0.8
71.01273	4.8
73.02830	1.5
81.03310	0.3
83.01280	0.5
85.02847	2.7
89.02343	1.3
95.01280	1.2
97.02867	0.2
98.19823	0.2
99.00776	1.8
101.02364	1.7
108.02081	27.2
109.02888	8.1
110.03180	0.6
111.00849	0.4
113.02356	1.9
123.00811	1.0
123.04474	0.5
125.02354	1.4
133.02884	0.3
133.04973	0.3
135.04404	0.3
140.01067	0.4
142.25568	0.2
151.00314	0.2
151.03960	1.0
152.01097	59.4
153.01675	2.9
161.04529	1.5
163.03947	2.1
168.00603	0.5
169.01376	1.7
173.34888	0.2
175.03911	0.3
177.01878	0.7
178.13600	0.2
179.03496	0.3
207.03096	0.2
211.02464	1.9
250.64455	0.2
271.01987	0.2
271.04630	6.0
271.07831	0.3
272.05042	0.3
282.32605	0.2
295.10339	0.8
297.06308	0.3
315.07309	0.9
331.06815	1.5
344.32751	0.2
403.12598	0.3
447.11539	100.0
448.11917	10.3
448.27347	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1308
Annotation	5-Hydroxy-3,6,7,8,3',4',5'-heptamethoxyflavone
Peak:m/z	Relative Intensity
52.75918	0.2
54.15217	0.2
55.01766	0.5
57.03342	0.4
58.00469	0.3
59.01264	7.5
61.98709	0.4
65.00194	0.8
65.61327	0.2
67.01775	1.1
68.99694	0.5
69.03334	0.8
69.61926	0.2
70.52224	0.9
71.01268	7.4
72.99184	0.5
73.02824	1.9
75.00759	0.4
75.54601	0.2
79.01778	1.2
81.03333	0.3
83.01296	1.5
85.02838	3.6
87.00762	0.6
89.02325	2.0
95.01276	1.9
97.02863	1.5
98.19842	0.3
99.00769	1.0
101.02348	4.2
106.00396	0.2
107.01295	8.1
108.01573	0.2
108.53628	0.2
109.02862	0.5
110.00037	0.3
111.00801	1.9
113.02357	3.3
117.03382	0.3
119.03416	0.5
121.02863	0.5
123.00803	15.7
123.04451	0.4
124.01624	0.8
125.02367	41.5
125.71799	0.2
126.01835	0.3
126.02672	1.3
127.00298	0.8
131.03418	0.4
131.04979	0.5
132.05727	0.9
133.06520	29.7
134.06857	1.5
135.04451	0.3
136.98741	1.4
137.02374	0.6
138.05533	0.2
139.00296	4.9
139.03984	0.3
140.01118	3.3
141.01883	2.2
143.03421	0.4
145.02908	0.9
146.03258	0.4
147.08000	0.2
149.02426	0.4
149.04477	0.4
151.00316	13.6
151.03944	0.5
152.00687	0.5
153.01912	0.7
161.04504	1.6
163.03903	0.3
164.01170	0.3
165.99008	0.2
167.03477	0.3
168.00592	3.3
169.01378	56.1
170.01747	2.1
173.05788	0.2
178.99815	0.7
179.03438	0.6
179.05537	0.3
192.00702	0.2
193.01428	0.4
195.03026	0.3
211.02483	0.9
211.13396	4.3
223.02547	0.6
225.15007	0.4
226.08731	0.4
227.03423	0.3
229.04831	0.3
235.08318	0.3
241.03629	0.5
243.03079	0.9
253.03604	0.8
253.09462	0.6
255.03049	2.9
256.03510	0.3
271.02527	4.3
272.02948	0.6
285.97586	0.3
299.99481	0.4
300.02838	6.4
301.03549	6.5
302.04129	0.5
313.05722	12.4
314.06140	0.6
315.18204	1.1
383.04507	0.3
387.20380	1.8
388.20383	0.4
447.13202	100.0
447.22922	2.6
448.13547	13.6
448.22678	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19833	0.4
57.03329	0.4
59.01257	2.3
59.53746	0.4
70.82868	1.1
71.01276	5.7
73.02832	1.9
81.03353	0.5
83.01290	0.6
85.02850	3.1
89.00033	0.4
89.02340	1.6
95.01282	1.1
99.00781	2.4
101.02354	2.7
105.01841	1.4
107.01337	0.3
108.02081	37.1
109.02895	11.6
110.03226	0.7
111.27825	0.3
113.02347	2.5
121.02929	0.4
123.00817	1.1
124.01546	0.4
125.02343	2.1
135.16119	0.4
148.95853	0.4
149.04471	0.3
151.00320	0.7
151.03944	2.3
152.01097	83.5
153.01717	4.5
161.04486	1.3
163.03976	2.8
168.00568	0.7
169.01355	2.8
179.03413	0.6
207.03076	0.7
211.02522	2.0
216.97025	0.4
218.75986	0.4
271.04703	5.8
271.07892	0.7
295.10272	0.5
313.05579	0.5
315.07379	1.0
331.06699	1.1
351.77600	0.4
387.09283	1.5
411.65262	0.4
447.11539	100.0
448.11902	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	447.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29737	0.5
61.66911	0.5
63.02281	1.0
65.00211	2.0
69.20552	0.5
71.38361	1.1
83.01266	1.5
89.77551	0.5
91.01775	0.7
100.86773	0.6
107.01296	4.7
108.02087	2.0
109.02890	3.1
117.35009	0.5
119.01348	0.6
121.02847	3.8
135.00790	0.8
148.01610	2.0
149.02356	0.9
151.00311	17.1
159.04433	0.8
163.00294	5.3
164.01025	1.0
169.01396	1.0
178.99849	6.7
183.04492	1.3
185.05966	0.6
187.03911	0.9
193.01285	0.6
199.04036	1.3
201.05513	0.9
203.03534	0.9
211.03958	2.0
213.01964	0.6
215.03513	1.2
225.23573	0.5
226.02704	1.6
227.03566	5.3
229.05063	1.6
239.03456	0.8
243.03026	11.0
244.03511	1.3
245.04591	2.0
254.02292	1.3
255.03041	31.7
256.03445	3.6
268.67801	0.6
271.02545	59.5
272.02872	6.4
273.04175	2.1
283.02557	2.0
299.02127	2.6
300.02823	82.8
301.03577	80.0
302.04031	5.9
447.09445	100.0
448.03845	1.1
448.09805	14.3
448.16095	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47688	0.2
59.01265	5.4
60.01590	0.2
61.98703	0.8
63.02289	0.3
65.00199	1.3
67.01759	0.2
68.99706	0.2
69.03325	0.2
71.01252	0.5
71.39944	0.4
73.12541	0.2
83.01269	0.7
89.02367	0.2
93.03365	2.2
94.08457	0.2
95.01292	1.4
96.57870	0.2
99.00771	0.2
101.02366	0.2
107.01293	1.6
108.02069	0.8
109.02843	1.2
110.00045	1.1
111.00809	1.1
113.02364	0.4
117.03388	0.5
119.01295	0.3
121.02863	0.9
123.00790	1.0
123.04428	0.3
124.01558	0.7
125.02352	0.9
131.04926	0.3
132.02068	0.2
133.02859	0.6
135.00790	0.7
136.98717	0.8
137.02409	0.5
137.99551	0.3
139.00308	1.2
143.04968	0.5
145.02916	0.6
147.04427	0.2
148.01637	0.6
149.02341	0.4
151.00307	7.1
152.01132	1.3
153.01825	0.9
155.04959	0.6
156.05696	0.3
157.06482	0.6
159.04482	0.8
161.02414	0.2
161.04572	0.3
163.00319	1.6
164.01006	0.2
165.99004	0.7
166.99754	0.4
167.04984	0.3
169.01376	0.6
171.04425	1.2
172.05054	0.3
173.02324	0.4
173.06049	0.5
174.03239	0.3
178.99825	3.1
179.10733	0.9
180.11049	0.4
181.01360	0.7
182.03671	0.4
183.04507	1.9
185.02496	0.2
185.06041	0.9
187.03970	1.7
189.02028	0.2
189.05467	0.3
192.00664	0.3
193.98573	0.4
198.03186	0.7
199.03979	1.8
200.04691	0.5
201.05553	1.5
203.03307	0.3
205.12254	0.7
206.12584	0.7
207.99944	0.2
211.04018	2.4
212.04439	0.3
213.02049	0.3
213.05444	0.3
215.03496	1.3
216.04283	0.5
217.05032	0.6
225.14992	1.0
226.02716	1.0
227.03520	6.6
228.04044	0.7
229.05112	1.4
231.03236	0.2
239.03595	1.0
243.03014	10.8
244.03572	1.5
245.04599	1.4
254.02245	0.9
255.03027	29.3
256.03467	2.8
257.04596	8.7
258.05048	0.5
259.02530	0.4
271.02536	31.7
272.03210	9.9
273.04050	2.4
283.02545	7.6
284.03082	1.0
285.04053	0.9
299.01987	0.8
300.02808	44.2
301.03564	52.2
302.03934	4.3
327.07343	0.5
387.20340	0.3
387.51797	0.2
403.10559	0.4
419.09802	0.3
429.08514	0.6
447.09427	100.0
448.09756	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	446.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	10.2
61.98718	100.0
69.61428	1.9
69.61859	2.1
71.01265	1.4
73.27394	0.5
78.95796	9.2
85.02835	0.7
89.02349	0.7
96.96883	1.2
98.19822	1.2
101.02366	1.4
124.98216	0.5
125.02381	0.6
149.00020	3.9
151.00351	1.4
152.99544	2.2
161.04536	0.8
178.99690	0.7
191.00136	0.5
192.00589	2.8
211.13446	2.0
212.09193	0.5
225.14973	0.8
243.03069	0.9
255.03091	2.2
262.67648	0.5
271.02527	5.6
300.02832	8.1
301.03674	6.5
318.48578	0.6
387.20422	1.7
428.62643	0.6
447.09515	4.0
447.13809	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55353	0.5
58.00483	0.7
59.01265	100.0
60.01606	1.4
61.98729	0.7
63.76526	0.5
66.44627	0.4
69.03325	0.5
71.01271	12.9
71.56482	0.8
71.56902	0.7
72.99197	0.6
73.02850	1.9
83.01263	0.7
85.02836	3.6
87.00769	0.6
89.02341	14.4
95.01302	0.9
96.11909	0.6
99.00775	1.0
101.02356	6.9
113.02372	5.0
119.03416	5.3
121.02848	1.2
125.02435	1.1
131.03467	0.9
143.03488	1.2
149.04460	0.5
152.08357	0.7
153.09140	1.0
159.02843	0.6
161.04514	6.3
169.01422	0.8
179.05588	7.3
179.07022	0.8
179.10820	0.8
182.73051	0.5
189.01936	0.4
205.12370	2.0
209.11845	3.3
223.13510	1.2
252.40538	0.6
357.09589	0.8
385.18204	1.3
385.22488	8.7
386.22818	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	2.1
57.03325	1.7
58.15097	0.4
59.01266	50.0
60.01582	0.6
61.98701	0.7
68.01299	0.4
69.03346	3.7
71.01271	43.1
72.01585	1.1
72.99184	0.5
73.02837	12.4
75.00782	0.7
83.01283	4.5
85.02841	19.6
87.00768	1.9
89.02345	3.4
93.03357	3.4
93.94450	0.4
95.01279	3.6
97.02853	2.7
99.00772	5.7
101.02348	26.6
102.02705	0.7
107.01291	2.2
108.02100	0.9
110.02399	0.5
113.02363	20.3
114.02708	0.6
121.02893	0.8
123.00835	0.7
125.02359	6.0
131.03406	0.9
135.00803	1.4
143.03418	3.8
144.62447	0.4
151.00319	5.0
152.01089	1.0
153.01889	0.4
159.02968	5.9
159.04305	0.8
161.04506	100.0
162.04866	3.5
163.00305	0.6
169.01363	0.6
178.99808	0.9
188.05630	8.6
189.05991	0.5
199.07494	0.5
205.03534	3.4
223.06332	2.2
224.06609	0.5
225.14975	0.5
227.03664	0.7
227.07147	2.4
242.05846	4.0
243.02997	0.8
243.06630	1.6
253.08698	0.8
255.03110	2.0
267.06625	4.0
271.02533	4.6
279.29593	0.5
281.08234	0.5
300.02768	7.0
301.03540	5.5
386.12512	0.6
429.25168	1.2
446.24796	0.8
447.08743	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	445.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50698	0.5
59.01265	19.3
61.30438	0.4
61.98712	0.8
62.91160	0.5
63.25124	0.4
64.50318	0.5
66.54655	0.4
69.93942	0.5
71.01266	4.5
71.61868	0.6
73.02839	1.0
75.66060	0.5
78.95803	4.3
83.04919	0.8
85.02875	0.9
89.02322	3.4
101.02341	2.1
110.98435	3.5
113.02352	2.1
119.03378	1.4
151.07573	0.5
152.08362	1.0
153.09186	2.6
161.04489	1.3
167.01085	1.6
171.11044	0.5
179.05592	1.4
179.10692	0.6
185.02142	3.3
188.58649	0.5
191.13870	0.6
196.50699	0.5
205.12326	2.0
223.13348	1.5
277.21783	100.0
278.22131	10.1
385.18661	2.5
445.24014	7.7
445.29446	2.2
445.33704	1.7
446.24234	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	0.3
58.00483	0.6
59.01266	100.0
60.01608	1.0
61.98714	1.9
66.65363	0.2
70.48498	0.6
71.01271	10.4
72.99214	0.8
73.02854	0.3
79.55926	0.2
83.01308	0.4
85.02828	1.3
87.00784	0.8
89.02341	17.8
90.02705	0.2
90.95597	0.2
95.01301	0.4
101.02354	6.2
102.02689	0.3
108.02071	0.3
109.02844	0.2
113.02365	4.5
119.03422	6.0
125.02374	1.5
131.03468	0.8
137.02478	0.3
143.03429	1.4
144.52150	0.2
145.02849	0.3
149.04549	0.8
151.00342	0.3
152.01068	0.5
161.04553	1.4
169.01379	1.1
179.05591	5.3
187.80800	0.2
205.12416	0.4
223.13344	0.3
246.98856	0.2
271.06195	0.4
284.03436	0.2
369.05518	0.3
373.43375	0.2
385.18784	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01628	0.8
67.96157	0.7
69.62758	3.9
69.63165	1.2
71.01270	17.7
72.99181	1.0
73.02855	0.7
73.32332	0.7
77.75649	0.6
83.04929	2.3
85.02856	2.9
87.00791	1.2
89.02338	26.3
95.01311	1.9
98.19791	1.3
101.02350	6.4
101.95745	0.7
113.02351	7.4
116.55014	0.7
119.03413	11.8
125.02375	1.9
131.03473	1.7
138.01927	2.5
139.00308	0.7
143.03455	3.0
146.49449	0.8
149.04523	1.1
161.04539	6.5
169.01398	1.7
173.13611	0.8
179.05573	25.1
180.05888	0.8
205.12390	0.9
248.28268	0.7
277.87109	0.8
315.05307	0.7
369.06232	0.8
445.04263	1.1
445.13779	2.1
445.20749	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55129	0.6
59.01263	8.1
66.74670	0.5
69.03354	0.8
70.79779	1.6
71.01272	6.5
72.99184	0.6
73.02831	5.9
79.01782	0.9
79.54092	0.5
83.01279	0.9
85.02838	2.9
87.00768	1.6
89.02331	1.5
95.01287	2.2
97.02876	0.8
99.00799	0.8
101.02318	2.8
103.03902	1.5
107.01294	7.2
110.08925	0.6
111.00784	1.3
113.02345	2.7
119.03443	0.6
123.00809	13.7
125.02361	23.3
126.02740	0.9
131.03432	5.1
136.98703	0.7
139.00288	3.1
140.01070	2.1
141.01869	1.0
151.00305	9.4
161.04509	0.9
168.00636	2.8
169.01375	34.1
170.01752	1.4
179.03455	0.6
200.61084	0.8
211.02449	2.7
218.53975	0.7
253.03543	1.0
271.04642	2.3
300.99680	0.6
313.05688	6.5
314.06073	0.9
318.92587	0.6
387.09070	3.2
399.09381	1.7
417.10379	1.4
445.09940	100.0
446.10330	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	445.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.8
57.03340	11.0
57.20881	0.5
59.01268	85.3
69.03333	0.8
70.48692	2.3
71.01269	10.6
73.02835	3.9
81.03357	1.0
83.01260	1.1
83.04955	0.5
83.62888	0.5
85.02840	4.2
87.00794	0.6
89.02337	3.8
93.03372	1.6
94.04147	0.5
95.04935	1.6
97.02867	1.2
97.06506	2.5
99.00780	1.3
101.02345	6.3
108.02115	0.9
109.02871	1.5
109.06509	3.7
113.02358	6.3
119.03434	1.8
121.06522	1.3
123.04449	8.0
123.08083	1.6
125.02373	6.5
131.07056	2.4
135.04486	0.8
135.08107	1.7
137.02390	2.4
143.03435	1.8
145.02872	1.9
147.08112	5.9
149.02406	0.7
149.05954	0.6
149.09695	3.4
151.03954	1.3
151.11235	4.4
151.80528	0.5
153.09148	1.7
159.02977	0.7
159.04408	0.6
161.04518	22.0
161.05835	1.0
161.09666	2.5
163.07634	1.3
163.11299	2.9
164.08382	1.7
165.01852	0.6
168.16498	0.6
173.04498	1.9
175.11308	1.5
177.12796	2.5
179.10745	100.0
180.11066	6.1
187.03981	0.8
187.11258	8.7
188.08452	1.2
189.09218	3.0
190.09860	1.4
195.13870	1.9
203.07132	1.0
203.10799	3.2
205.12332	93.8
206.12674	7.4
223.13422	12.0
224.13612	1.0
245.08250	2.1
271.06146	2.3
289.07285	7.2
290.07541	1.0
293.12527	2.2
315.26120	0.6
325.64844	0.6
334.21994	0.6
341.16208	6.1
342.16293	0.8
367.17700	2.0
445.13519	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.079
Annotation	Baicalein 6-glucuronide
Peak:m/z	Relative Intensity
55.65851	0.2
57.03331	0.6
59.01279	1.1
63.02288	1.7
65.00211	3.6
70.53755	0.7
70.54115	0.3
71.01265	0.6
73.02850	0.2
74.98949	0.2
83.01277	2.9
85.02853	0.8
89.02348	1.2
91.28246	0.2
91.34272	0.2
93.03361	0.6
101.02365	0.4
107.01297	7.8
108.01625	0.2
109.02847	0.3
111.00802	0.2
121.02874	0.5
123.00768	0.4
123.04472	0.5
124.01588	0.4
125.02370	7.1
129.01826	0.2
131.01344	0.3
131.04984	0.5
133.02881	1.0
135.04453	0.8
135.79753	0.2
137.02385	0.7
137.05988	0.3
145.02896	2.4
147.04475	1.6
149.02399	0.8
151.00313	28.4
152.01018	1.5
153.01874	0.9
159.04442	0.8
160.01578	0.6
161.02400	6.0
162.03206	1.3
163.00333	0.8
163.03958	4.0
164.04324	0.4
165.01926	0.4
169.01384	3.3
173.02419	0.8
174.03146	0.8
175.00299	0.2
175.03952	2.7
177.01846	0.6
178.99828	15.1
180.00175	0.6
181.01360	0.3
183.04515	0.8
184.67953	0.3
185.02451	0.6
185.06094	0.3
187.00357	1.3
187.03979	0.6
189.01917	3.2
190.02621	0.5
191.03441	2.5
192.00696	1.6
193.01369	1.0
193.04979	0.5
195.04550	0.5
197.06052	0.3
199.03995	0.9
200.14624	0.2
201.01936	0.9
201.05515	0.4
203.03499	2.1
205.01369	0.3
207.02991	0.4
211.03976	1.0
213.02048	0.3
213.05591	0.4
214.99905	0.6
215.03537	0.4
217.01378	0.9
217.05013	1.0
219.03073	0.3
221.04509	0.8
223.04095	0.5
225.05577	0.6
226.02733	0.5
227.03519	2.6
229.01442	0.9
229.05043	0.8
231.03003	0.9
232.03493	0.3
235.03960	0.2
239.03464	1.0
240.04295	0.3
241.05113	1.5
243.03014	1.3
245.00964	0.3
245.04640	0.8
247.02553	0.9
247.06126	0.4
251.03458	1.6
253.05035	0.7
255.03044	1.2
256.03763	0.5
257.04581	0.9
265.05014	0.3
267.03055	1.9
269.04602	2.1
271.02542	0.7
273.04190	0.5
279.02979	1.4
280.03687	0.8
283.02542	1.5
284.03345	0.7
285.04074	1.6
286.04385	0.3
293.04749	0.4
295.02557	8.3
296.03183	2.1
297.04105	7.6
298.01288	0.8
298.04526	0.7
299.02045	0.8
300.02783	1.0
301.03555	2.2
309.04050	0.6
311.02063	2.3
312.02759	0.9
313.03574	7.6
314.03973	1.2
315.05200	0.4
322.98154	0.5
323.02026	10.8
324.02634	1.6
325.03522	0.6
327.01553	8.0
327.05133	0.8
328.01831	0.7
337.03726	0.6
341.03107	22.2
342.03339	2.5
343.04642	0.6
353.03006	0.6
355.04648	1.9
371.04117	0.6
373.05795	1.5
383.04025	0.5
401.05075	0.3
427.06705	0.6
445.07852	100.0
446.08163	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	443.266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01651	0.7
61.98709	1.0
70.29362	0.6
71.58271	1.0
80.21867	0.6
89.02375	1.1
139.73801	0.6
165.12770	1.5
179.41187	0.7
247.20792	1.6
273.18750	0.8
291.19745	27.8
292.20151	2.2
293.15561	0.8
309.20789	32.0
310.21194	2.3
341.10959	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	14.6
61.98701	0.7
63.02311	0.6
65.00209	0.6
71.01268	3.6
71.48516	0.6
73.02827	0.5
75.00771	1.8
75.02273	0.7
82.45615	0.3
83.01261	0.6
85.02852	1.3
85.60476	0.3
89.02341	1.9
91.01795	3.9
93.03349	1.1
95.01283	0.8
95.04917	0.4
96.95899	0.3
99.00806	0.3
101.02345	2.6
107.01301	0.7
109.02876	0.8
111.00832	0.4
113.02352	1.1
119.01302	4.3
119.03444	0.5
120.27886	0.3
121.02879	1.1
123.00800	0.8
125.02354	1.5
125.04084	0.3
132.66826	0.3
137.02386	4.8
147.00818	14.0
148.01175	0.7
153.09158	0.9
161.02388	0.4
161.04475	1.7
163.00330	4.1
164.01128	0.4
165.01901	7.0
165.05547	1.1
166.02293	0.6
169.01387	1.8
173.02408	1.0
174.03171	1.3
175.00342	7.3
176.01122	1.8
177.01851	0.7
179.05602	0.5
189.01828	0.8
190.02675	0.6
190.99883	0.8
201.01869	0.9
202.02715	3.5
202.64273	0.3
202.99849	38.5
204.00211	2.2
205.12332	0.7
206.99313	2.2
208.00116	1.3
209.00912	11.5
209.02881	0.6
210.01352	0.6
217.01588	0.4
223.13434	0.8
227.03528	0.6
229.01407	0.8
230.02174	3.4
241.05008	0.4
245.00912	1.0
246.98877	100.0
247.99232	6.7
250.27617	0.4
255.03152	0.4
259.99631	0.6
261.00253	0.6
269.08298	0.5
273.00488	0.7
274.01248	2.5
293.06796	0.5
293.57034	0.4
297.07730	1.5
298.08472	0.8
325.07187	0.8
329.10226	0.4
347.60922	0.3
357.09793	0.8
369.06815	0.8
373.09476	1.1
385.18488	0.5
401.08838	6.2
441.07788	0.4
444.56000	0.5
445.07919	2.3
445.24136	0.7
446.07990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	2.8
57.03328	2.5
58.00478	1.1
59.01269	38.6
65.17056	0.5
68.02232	0.6
69.56797	1.3
69.57204	4.1
71.01275	26.5
72.99187	2.1
73.02837	8.3
83.01288	5.4
85.02843	11.2
86.00006	0.8
87.00755	1.4
89.02339	11.3
95.01283	1.2
97.02879	1.4
99.00783	4.1
101.02354	26.6
102.02657	0.9
111.00808	4.2
113.02363	8.4
119.03485	0.6
119.04931	1.0
123.00822	1.1
125.02373	4.6
131.03432	7.8
135.49786	0.6
137.02397	0.9
138.03322	0.6
139.00349	0.6
141.01846	0.6
142.76091	0.6
143.03479	1.4
145.02855	0.8
149.04500	2.9
151.58749	0.6
159.02896	2.0
161.02409	1.1
161.04510	4.6
163.00385	0.7
163.03934	1.0
166.11720	0.6
169.01350	1.9
175.03889	1.2
189.24382	0.6
190.02681	0.8
191.03448	1.2
203.03645	0.9
229.01466	0.8
247.02516	0.7
249.13474	24.4
250.13774	1.9
262.28165	0.6
275.02026	1.7
279.05280	0.7
301.00024	3.9
302.00018	0.7
359.81525	0.6
381.17761	100.0
382.18121	9.0
396.56012	3.1
397.05890	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	2.7
59.01273	2.0
61.98713	0.7
69.03336	1.1
69.60655	2.2
71.01262	1.1
81.03359	2.8
83.01271	2.6
85.02839	0.6
89.02319	0.5
93.03344	1.4
95.01289	1.1
95.04936	2.5
96.95872	0.4
97.02851	5.6
99.00768	0.3
101.02323	0.5
107.04926	0.7
108.02054	1.4
109.02861	19.9
110.03207	0.3
111.00795	0.7
111.04402	0.6
117.03373	0.3
119.04943	0.9
121.02872	3.0
122.02390	1.8
122.03664	0.5
123.00797	1.6
123.04442	14.0
123.12218	0.4
125.02366	21.8
126.02685	0.9
127.00285	0.6
129.01846	0.5
133.02875	0.5
133.06528	0.5
135.04460	2.0
137.02371	12.8
138.03123	0.6
139.00252	0.5
139.03920	3.4
143.04889	0.4
145.02905	2.1
146.03694	1.9
147.04472	0.5
149.02390	4.0
150.03140	1.4
151.00305	0.8
151.03951	9.4
152.01096	0.6
152.04286	0.5
153.01837	0.3
155.03430	0.5
157.06479	0.5
159.04529	2.5
160.05222	1.3
161.02371	1.3
161.06027	5.1
162.03201	1.9
163.03964	2.4
164.01071	3.1
165.01898	4.7
166.02556	0.9
167.03419	2.0
168.00523	0.4
169.01387	6.6
173.04536	1.0
173.06062	1.3
174.03215	0.7
175.03999	2.8
175.07578	2.1
176.07976	0.4
177.05547	0.6
177.22089	0.3
179.03473	6.4
185.06020	0.8
187.03976	4.2
188.04745	3.6
189.05148	0.5
191.03526	0.7
193.01361	0.6
199.07585	0.5
201.05530	0.8
201.09334	0.4
202.06354	1.8
203.03476	0.6
203.07118	13.1
204.07428	1.0
205.05054	8.8
206.05406	0.8
212.04718	0.5
217.05022	0.5
217.08723	0.8
221.08150	2.9
227.07187	2.1
230.05811	0.6
231.02963	0.5
245.08220	16.2
246.08578	1.5
247.02492	0.6
247.06110	0.9
271.06226	1.7
279.08762	0.9
289.07242	100.0
290.07584	9.0
300.99939	0.8
303.05243	2.2
315.05215	0.9
319.08441	1.7
404.55389	0.4
441.08340	23.9
441.17960	1.1
442.08377	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	441.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17588	0.2
52.65552	0.2
57.03339	2.7
59.01265	1.9
67.01771	0.7
69.03346	2.2
69.34040	1.2
69.34454	1.1
71.01258	1.2
75.71796	0.2
79.01772	0.5
81.03349	1.9
83.01271	2.0
85.02858	0.5
89.02348	0.8
93.03362	0.7
95.01279	1.6
95.04932	1.5
97.02853	4.0
98.01224	0.2
99.04417	0.3
101.02369	0.6
103.34099	0.2
107.01302	2.9
108.02085	0.4
109.02864	12.5
110.03249	0.4
111.00772	1.1
113.02385	0.3
119.03435	0.5
121.02894	1.8
122.03656	0.5
123.00799	2.4
123.04440	6.7
124.01658	1.3
125.02370	79.5
126.02698	3.4
127.00275	0.4
133.06532	0.3
135.04436	1.2
136.98779	0.6
137.02380	8.6
138.03119	0.5
139.00311	1.3
139.03928	1.8
139.07600	0.2
140.01080	1.5
145.02875	2.7
146.03671	1.0
147.04529	0.3
149.02374	3.3
150.03146	1.3
151.03952	6.7
152.04321	0.6
159.04465	2.0
160.05266	0.4
161.02351	0.4
161.06018	3.0
162.03198	0.8
163.03990	0.5
163.87587	0.2
164.01099	1.4
165.01855	2.5
166.02319	0.4
166.99797	1.5
167.03484	0.6
168.00595	2.1
169.01384	100.0
170.01726	4.0
173.06039	0.3
174.03264	0.6
175.03960	0.9
175.07619	1.0
177.05542	0.3
179.03452	2.7
183.04424	0.4
185.06052	1.2
187.04002	2.3
188.04738	1.7
193.01407	5.2
193.02982	0.4
194.01640	0.3
197.05968	0.3
199.07625	0.4
201.05507	0.4
202.06311	0.8
203.07114	6.6
204.07536	0.3
205.01442	0.5
205.05075	3.3
212.04869	0.4
221.08173	1.7
227.07053	1.1
229.05075	0.4
230.05890	0.4
231.03094	0.5
245.04507	0.3
245.08203	7.6
246.08591	0.5
247.06061	0.6
253.05136	1.2
259.06250	1.2
271.06177	3.3
272.06546	0.6
287.05673	0.6
289.07248	29.8
290.07605	3.1
303.05215	1.4
315.05338	0.4
330.13080	0.5
331.04678	2.3
397.09573	0.3
441.08359	5.3
441.17636	1.4
442.08752	0.9
460.08136	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	3.9
59.01267	87.5
65.74565	3.3
68.76061	3.6
71.16119	6.4
71.62987	3.6
72.99208	5.3
73.02838	10.3
80.19464	3.2
85.02849	20.4
93.03362	10.1
95.04922	4.9
96.95902	16.1
96.96860	15.2
99.04430	4.6
107.04929	5.2
109.02878	32.6
110.88973	3.2
111.04401	4.7
113.02310	3.9
113.05981	4.6
121.06500	9.0
122.03645	5.0
123.04430	13.0
123.08069	4.2
125.02377	9.4
133.06516	5.5
134.03592	4.4
135.04514	4.8
137.06017	6.8
139.07530	4.2
147.07983	4.5
149.06035	11.1
151.07555	4.0
162.06787	5.5
163.07576	13.2
167.07088	11.1
171.08125	3.5
172.05191	5.1
173.06081	4.5
173.09734	5.7
174.06818	4.2
175.07545	7.8
180.07884	9.8
181.08575	4.6
185.06102	3.7
185.09692	9.4
187.07643	6.1
189.05501	6.4
189.09198	4.7
191.07045	6.3
191.10747	11.3
199.07625	9.8
199.11327	4.3
201.09241	6.5
202.06201	6.2
203.07094	7.6
203.10841	19.6
211.11453	4.8
213.09229	5.1
215.10735	9.6
217.08792	5.1
219.10330	4.9
221.11818	27.1
224.08435	4.5
225.09331	4.9
227.10811	11.6
231.10315	17.6
233.11824	9.4
237.09218	3.9
239.10811	7.0
245.11885	7.4
249.11273	6.0
251.12898	9.8
257.11862	11.2
265.12210	4.5
267.13950	5.0
269.11700	4.8
272.10632	7.4
277.12354	4.4
283.13431	16.4
284.10660	6.6
285.15112	4.8
295.13477	36.8
296.14175	4.4
301.14554	53.5
302.11594	8.3
302.14758	4.2
307.13470	5.6
313.14539	75.1
314.14853	9.5
319.15530	12.9
325.14462	31.9
331.15579	100.0
332.15872	10.6
343.15625	33.8
344.16006	6.5
349.16513	20.7
361.16708	30.5
379.17670	10.0
439.09085	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	439.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.3
59.01255	0.5
61.98713	0.2
62.03293	0.1
62.03639	0.1
65.46329	0.1
71.01265	0.4
71.53056	0.1
71.56898	0.1
78.95808	0.1
79.95628	2.4
83.01283	0.3
89.02344	0.2
96.95914	100.0
97.95845	0.4
101.02338	0.2
101.06017	0.1
107.01290	0.4
109.02879	0.2
110.97486	0.3
113.02358	0.2
116.53955	0.1
117.03386	0.1
119.04908	0.1
121.02853	0.1
123.00804	0.4
125.02369	3.7
126.02665	0.1
137.02376	0.2
138.05585	0.2
139.00288	0.2
145.02916	0.3
147.04401	0.2
149.02367	0.2
149.08926	0.1
151.00269	0.2
151.03932	0.1
163.00377	0.3
169.01376	2.8
170.01633	0.2
175.04013	0.1
211.02498	0.2
259.02490	0.1
269.08328	0.3
271.29321	0.1
275.10049	0.1
287.02130	0.4
289.07309	0.2
299.09396	0.2
301.00006	0.5
313.05637	0.7
314.11658	0.3
329.14114	0.2
367.04666	0.1
439.10822	23.4
440.11072	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1079
Annotation	Hallactone B
Peak:m/z	Relative Intensity
52.30907	0.1
70.09696	0.7
79.95626	6.6
79.96097	0.3
95.95213	0.2
96.95911	100.0
97.95868	0.3
98.20513	0.2
108.02102	0.1
108.37944	0.2
110.97508	0.5
121.02879	0.2
137.02397	0.6
141.48532	0.2
147.04456	0.2
180.07945	0.2
207.33540	0.2
269.08334	1.7
270.08905	0.2
271.09732	0.2
299.09344	1.0
300.09872	0.2
314.11703	1.9
315.12106	0.4
329.13953	0.5
388.36288	0.2
424.08365	0.4
439.10748	58.4
440.11081	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	437.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73352	0.3
59.01265	100.0
59.64944	0.3
60.01597	1.1
61.98714	0.7
71.01268	2.3
73.02837	1.1
74.38641	0.3
83.01284	0.4
85.02848	1.4
87.04412	40.6
88.04759	1.0
93.98884	0.3
101.02361	1.4
113.02359	1.2
119.48627	0.3
125.02375	0.6
125.40482	0.4
130.11240	0.3
146.94456	0.3
161.04471	0.8
169.01299	0.3
231.38496	0.3
270.21826	0.3
275.01923	0.5
343.01056	0.3
377.21652	2.1
437.05292	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	439.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80477	0.3
57.68861	0.3
65.75214	0.3
69.74545	1.9
76.80908	0.3
78.95795	59.1
79.95638	0.4
96.19270	0.3
96.95940	19.5
96.96861	100.0
98.20599	0.4
99.71902	0.3
138.60280	0.3
141.45607	0.3
213.41881	0.3
439.08426	1.4
441.50919	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01614	0.7
61.98721	1.4
63.71656	0.4
64.73154	0.5
66.60841	0.4
70.02213	0.4
71.01265	2.2
73.02866	0.5
74.78216	0.4
77.65477	0.5
83.01302	0.6
85.02833	0.6
87.04414	39.5
88.04788	0.8
95.28962	0.4
101.02347	1.1
113.02342	0.8
137.80145	0.5
169.01349	0.5
247.02448	0.7
369.13663	1.6
377.21722	1.1
377.25793	0.8
437.04941	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	437.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	4.8
56.95645	0.1
56.99715	0.2
57.03339	3.9
58.00485	1.6
59.01265	34.5
60.01617	0.3
68.99693	0.3
69.03344	1.2
69.30616	1.7
71.01270	49.3
72.01609	0.8
72.99199	3.6
72.99581	0.3
73.02837	24.6
74.03176	0.5
75.00764	1.1
81.03362	0.9
83.01277	20.0
83.04930	0.2
84.01603	0.5
84.02053	0.3
85.02843	28.4
85.99988	1.9
86.03180	0.5
87.00771	3.0
87.04435	0.3
88.28957	0.2
89.02338	7.1
95.01279	3.8
97.02851	1.9
99.00780	8.2
101.02347	61.8
102.02672	1.4
103.03914	2.5
104.80194	0.2
107.01299	0.2
109.02856	0.4
111.00801	1.4
113.02356	21.0
114.02714	0.5
115.03936	0.4
119.03433	2.0
123.00790	0.4
123.04439	0.2
125.02366	3.7
127.03947	0.5
127.11193	0.8
129.01852	1.4
129.12766	0.4
131.03416	0.5
141.01852	0.3
143.03426	2.5
145.05023	1.0
149.02455	0.1
149.04512	0.2
151.03854	0.2
159.02939	4.3
161.04501	20.3
162.04865	0.9
163.06073	2.2
164.06375	0.2
169.01366	1.0
171.13878	0.3
173.11790	0.3
179.05609	0.2
199.13383	0.7
205.03563	0.8
205.07211	0.4
229.07224	1.3
230.39156	0.1
247.08266	1.4
273.17233	0.2
275.18723	0.7
291.18195	100.0
291.91632	0.2
292.18530	7.6
300.99902	0.3
307.10419	0.3
335.17093	1.1
362.84909	0.2
419.22934	0.2
437.05014	0.7
437.23999	52.2
438.24316	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	437.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	15.3
59.01266	18.7
61.98715	12.6
69.03339	1.2
69.38366	10.9
71.01266	7.1
73.02831	2.3
75.00780	1.2
81.03353	3.8
83.01288	9.6
84.33850	1.0
85.02841	2.7
89.02348	4.7
93.03339	5.5
95.01277	1.8
95.04900	4.9
97.02869	5.9
99.00771	1.9
101.02345	4.7
107.01303	4.4
109.02859	18.5
110.03188	1.2
111.00808	2.8
112.30519	1.2
113.02354	1.5
113.06000	2.7
117.03385	2.0
119.04942	1.4
121.02845	4.8
122.03621	1.6
123.00773	2.5
123.04448	12.0
125.02371	100.0
126.02713	3.9
131.05005	1.4
132.77267	1.0
133.02904	2.4
135.04448	2.6
137.02382	62.2
138.02744	2.5
139.03935	4.7
141.09251	1.7
143.04895	1.8
145.01807	2.1
145.02893	25.0
146.03583	3.8
149.02370	9.4
150.03108	3.9
151.00327	1.6
151.03960	16.8
159.04457	10.3
160.05136	1.9
161.02362	4.4
161.04652	1.6
161.06012	9.1
162.03146	1.5
163.00316	2.0
163.03992	1.9
164.01115	1.7
165.01898	3.4
165.05493	2.5
168.00620	1.3
169.01405	12.7
175.03931	2.7
175.07652	1.5
177.01872	7.3
178.02260	1.1
179.03441	3.9
181.05020	4.7
183.04491	2.1
185.06119	5.6
187.03955	9.3
188.04701	3.8
189.01889	3.7
190.02344	2.6
191.03447	1.5
199.07681	1.4
201.05577	3.9
202.06369	2.5
203.07158	11.3
205.04997	4.5
209.06114	2.0
211.04091	1.5
213.01849	1.3
217.01367	2.4
218.01738	2.1
221.08145	1.3
227.03653	1.2
227.07132	5.5
229.05017	4.1
230.05853	1.4
245.08223	11.9
247.02670	1.8
247.06241	1.4
253.05092	9.4
271.06210	43.6
272.06488	4.8
275.02158	1.5
275.18915	1.3
283.06122	2.0
287.09302	8.0
289.07254	58.3
290.07571	5.5
291.18259	1.2
293.09024	1.5
299.09320	3.6
303.05060	1.7
313.06989	1.1
341.06604	1.9
342.06827	3.8
343.07333	9.3
375.12000	1.1
385.20056	1.2
389.16656	1.1
393.13672	6.4
436.56952	1.2
437.05280	10.7
437.11938	8.5
437.23749	4.5
438.05936	1.2
438.13031	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02282	0.2
57.32022	0.2
59.01254	0.6
69.45243	1.2
69.45661	0.7
71.01282	0.3
75.00759	0.3
89.02354	0.4
101.02362	0.2
125.02338	0.5
145.02861	0.4
147.04465	0.4
159.04510	0.4
163.04005	0.3
168.00580	0.3
169.01297	0.4
169.97723	0.3
173.02374	0.5
175.03949	0.8
177.01904	0.3
179.03394	0.2
185.02374	0.7
189.01904	0.5
190.02679	1.1
191.03389	0.7
201.01865	1.5
202.02551	0.5
203.03497	3.0
204.03966	0.2
205.01552	0.3
213.01917	0.6
217.01488	0.2
218.02229	1.1
219.03067	1.2
222.01755	0.3
228.00621	0.6
229.01431	7.0
230.01854	0.4
231.02992	1.3
234.17039	0.2
245.00957	0.4
246.01436	0.6
247.02467	0.7
257.00952	8.6
258.01648	2.2
273.00436	0.7
274.01233	8.5
275.02032	100.0
276.02356	7.5
301.00055	0.4
350.42996	0.2
387.07864	0.2
437.07315	16.6
438.07687	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	437.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	2.2
59.01032	1.1
59.01272	11.0
61.98711	1.9
69.50271	8.8
71.01270	6.1
73.02821	1.6
75.00764	1.2
79.01817	1.2
83.01298	2.3
85.02859	2.0
89.02363	3.5
91.01797	1.2
93.03358	11.7
93.95391	1.1
94.03693	4.5
95.01271	3.6
95.03829	1.4
97.02863	1.0
99.00729	1.8
101.02341	3.8
107.01340	2.9
107.04906	1.1
108.02110	1.7
109.02866	27.8
110.03207	5.7
111.00851	1.4
111.03311	2.0
113.02341	2.1
117.03393	4.5
119.04951	4.9
119.37962	1.1
120.05280	1.9
121.02868	2.4
123.00053	1.3
123.00784	7.4
123.04439	14.9
124.04790	8.7
125.01508	1.9
125.02370	12.6
125.04900	2.2
126.02696	1.5
133.02887	3.3
135.00786	2.4
136.01607	1.7
137.02390	5.8
139.00311	4.7
145.02901	12.4
146.03253	3.7
147.03413	1.5
147.04453	3.4
148.04787	2.1
149.02391	2.5
151.00291	3.6
151.03943	9.0
152.04292	3.5
153.01901	3.8
153.04420	1.5
159.04404	1.7
161.02377	3.2
162.02969	1.6
163.03969	1.6
165.01881	32.7
166.02245	2.8
166.99815	1.6
168.00591	1.8
169.01379	11.3
170.01773	1.7
171.01907	1.5
173.02304	1.6
177.01888	20.3
178.02240	12.0
179.02290	6.5
179.03670	15.4
180.04245	18.5
181.04922	2.3
187.03967	2.3
189.01904	29.3
190.02299	32.2
191.02226	18.1
191.13364	1.5
192.03535	4.9
193.03961	3.8
194.05838	4.1
195.02904	1.2
195.06630	20.9
196.07109	2.0
203.03490	4.4
204.03839	4.1
205.01442	2.1
205.03804	2.9
210.05283	2.9
211.09590	1.9
215.03477	1.4
216.00632	5.3
217.01408	23.3
218.01726	21.9
219.02013	13.0
220.03421	6.4
221.03429	6.6
225.05702	2.1
225.07733	22.4
231.02986	5.6
232.03311	6.0
233.01065	2.1
233.03575	6.2
235.04965	1.3
247.02528	1.4
259.02518	1.7
261.00595	1.3
271.06171	3.6
272.06485	1.8
273.06757	3.3
275.02032	1.4
275.05725	4.0
282.04926	1.7
283.05878	3.4
285.06635	2.3
289.07291	3.0
291.07800	3.2
300.99997	3.4
302.00626	1.9
311.05557	3.8
312.05881	3.7
313.06131	5.3
319.06165	1.7
325.06461	1.9
339.05264	1.4
341.06763	10.7
342.07098	38.4
343.01382	5.8
343.07281	100.0
344.07355	6.7
353.06836	2.7
359.11380	6.7
363.05206	1.4
374.13766	5.1
389.16132	21.6
390.16464	2.2
391.04727	3.6
391.23370	1.5
393.06131	5.5
395.04239	2.7
412.61240	1.5
425.19150	1.2
437.05157	83.6
437.11768	73.5
437.23386	2.1
438.05515	10.2
438.12039	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	437.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92689	0.6
59.01287	1.6
61.06363	0.5
71.01297	1.4
71.57095	0.9
75.00823	0.5
85.02857	0.5
89.02351	1.0
89.13201	0.4
101.02370	0.9
107.01324	0.6
107.91209	0.5
113.02367	0.8
119.03426	0.5
123.00848	1.0
123.04465	1.8
125.02369	2.8
139.00273	0.5
141.01929	0.5
145.02956	0.5
147.04488	0.5
159.04448	0.4
163.00322	0.4
169.01369	4.4
174.03224	0.6
175.03975	0.5
189.01927	3.1
190.02702	11.1
191.03177	1.2
191.99319	0.9
200.01138	0.8
201.01944	1.9
202.02672	2.8
203.03424	2.2
205.01454	0.9
217.01332	1.1
218.02209	11.3
219.02750	1.7
222.01697	1.7
228.00708	3.3
229.01407	6.6
230.01852	0.6
231.02931	0.8
245.01016	2.4
246.01639	2.8
247.02531	1.0
256.00171	1.2
257.00943	10.6
258.01541	1.7
273.00427	2.0
274.01248	100.0
275.01996	54.8
276.02353	2.9
313.05771	0.6
317.03006	0.8
437.07217	78.5
438.07663	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	436.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01587	2.1
61.98716	7.0
69.35477	0.9
69.35876	3.6
71.01275	3.3
73.02845	0.7
75.51407	0.4
83.01280	0.7
85.02857	1.1
89.02364	1.0
93.03333	0.3
96.95930	0.4
99.74651	0.3
101.02335	2.1
105.46617	0.3
109.02864	0.4
113.02377	1.1
119.04998	0.7
125.02388	1.7
161.04579	1.2
169.01430	1.9
227.09441	0.4
284.32089	0.4
305.19797	0.7
360.13498	1.2
376.24487	1.2
436.13232	0.6
436.18738	1.0
436.30615	0.6
437.05496	1.6
437.23862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71296	0.2
52.16789	0.2
59.01263	0.7
62.68786	0.3
62.94991	0.2
69.80465	1.0
69.80875	0.6
70.56952	0.3
71.01297	0.4
95.01279	0.3
98.20368	0.7
101.02374	0.3
102.54467	0.2
103.18430	0.3
109.02861	0.5
123.00824	0.5
123.04456	0.3
125.02385	1.3
127.73787	0.2
133.02898	0.4
133.23042	0.2
137.02370	0.7
143.65636	0.3
145.02876	0.5
146.03722	0.4
147.04433	0.7
149.02464	0.3
151.03951	0.4
153.01906	0.3
159.04410	0.3
161.02419	0.7
163.00356	0.5
163.03938	0.4
166.99936	0.3
167.03476	0.5
169.01357	0.7
173.02414	0.4
173.04485	0.3
174.03165	0.6
175.04004	0.9
176.01128	0.4
176.94841	0.2
177.05632	0.3
185.02437	0.5
187.03963	0.5
189.01921	2.1
190.02693	7.1
191.03375	1.3
191.05643	0.7
200.01141	0.5
201.01910	1.5
202.02678	1.6
203.03462	3.0
205.01456	0.8
213.01869	0.4
217.01389	1.5
218.02208	8.3
219.02936	1.8
222.01704	1.1
228.00648	2.3
229.01439	7.1
230.02119	0.8
231.03055	1.0
239.09949	0.2
245.00922	1.4
246.01782	1.6
247.02490	1.1
256.00159	1.1
257.00928	11.4
258.01617	2.7
273.00412	1.5
274.01257	50.2
275.02026	76.5
276.02341	5.4
289.07205	0.4
300.99973	0.3
317.06647	0.4
347.07773	1.7
401.18335	0.3
437.07330	100.0
438.07712	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	435.131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90844	0.3
57.03331	0.5
59.01262	7.7
61.98732	1.4
65.03825	0.3
67.01783	0.4
69.03339	0.4
70.90712	0.8
71.01272	4.3
73.02840	1.4
76.15623	0.3
79.05412	0.3
79.63000	0.3
81.03403	0.3
83.01295	0.8
85.02843	1.6
87.00787	0.5
89.02332	2.8
93.03362	1.8
95.01257	0.7
95.04940	0.5
97.02834	0.3
101.02368	3.1
103.03925	0.4
107.01307	0.7
107.04938	38.9
108.02097	0.5
108.05301	1.3
109.02866	2.1
111.00805	0.6
113.02348	1.9
115.03918	0.4
119.03423	0.9
119.04951	0.3
121.02872	16.9
121.06504	2.2
122.03661	25.5
122.20194	0.3
123.00797	1.5
123.04452	1.0
124.01600	1.8
125.02381	4.3
131.03433	0.3
133.02872	0.6
135.00816	0.3
135.95898	0.3
136.01598	0.3
137.02388	5.4
137.03416	0.3
139.00330	0.5
143.03401	0.8
143.08167	0.3
145.02934	0.5
147.04482	0.5
150.03157	2.4
151.00308	1.1
151.03952	2.7
153.01895	0.8
154.02657	3.6
161.04512	1.1
163.03963	0.8
163.06065	0.8
165.01903	1.1
167.03407	0.5
168.00523	0.4
169.01402	4.8
170.01810	0.3
177.01929	1.1
182.02165	3.2
183.02560	0.3
186.23714	0.3
189.01897	2.5
190.02670	0.6
205.07146	0.7
211.07697	0.7
216.00542	0.4
217.01463	1.8
219.02963	0.6
227.07156	0.8
229.08714	62.1
230.09055	4.8
241.08781	0.5
243.10318	0.4
255.06763	1.5
269.08215	0.5
271.06076	0.3
271.09720	0.3
272.06815	0.6
273.07751	43.6
274.08038	3.0
283.09586	0.4
289.07352	0.5
289.16641	1.7
297.07730	0.5
313.05704	0.9
315.08881	1.0
332.90210	0.3
341.06757	5.7
342.07086	0.4
435.13062	100.0
436.13388	11.6
436.19510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52515	0.2
57.03337	1.0
59.01266	6.2
60.01620	0.4
61.01685	0.3
61.98716	0.5
65.00217	0.6
67.01780	0.7
68.99719	0.6
69.03330	1.3
71.01269	1.6
71.04881	0.4
71.58063	0.3
73.02853	0.2
75.00785	0.3
81.03351	9.5
82.03678	0.3
83.01283	2.5
85.02857	0.7
89.02348	0.6
93.03355	5.4
95.01299	1.9
95.04929	9.2
97.02863	4.6
99.00797	0.6
99.04424	4.2
101.02370	0.5
105.03373	0.7
107.01314	0.7
107.04945	0.5
108.02075	0.5
109.02849	2.1
111.00816	0.5
111.04459	0.9
113.02364	0.9
114.23193	0.3
117.03336	0.4
119.03536	0.4
119.04953	6.6
121.02850	1.3
121.06527	0.5
122.03658	0.9
123.00807	1.3
123.04443	14.7
123.25128	0.3
124.01660	0.4
124.04766	0.8
125.02374	20.3
126.02711	0.7
133.02893	0.5
135.04474	2.1
137.02367	3.1
137.06023	9.9
138.06352	0.4
139.00290	1.1
139.03957	2.9
141.05508	0.9
145.02933	1.1
145.06560	0.4
147.04497	1.7
149.02383	1.1
149.06071	0.8
150.03114	0.4
151.00337	0.9
151.03978	1.4
152.01099	0.3
153.01955	0.5
153.05444	0.3
155.03453	0.9
155.10661	0.3
159.04515	0.3
160.51683	0.3
161.02385	0.9
161.04550	0.3
161.06050	0.5
162.03098	0.4
163.00349	1.9
163.03989	0.8
163.07632	0.8
164.98274	0.3
165.01874	1.0
165.05527	6.6
166.02679	0.7
166.05904	0.3
167.03464	44.3
168.00661	0.3
168.03825	2.2
169.01421	1.9
175.03969	0.5
176.01100	0.3
177.01878	2.2
177.05548	0.6
178.02545	0.3
179.03482	7.0
180.04025	0.3
181.05084	1.7
187.03928	0.4
187.07660	0.7
189.01942	2.6
189.05566	3.3
189.57097	0.3
190.02679	1.1
191.03517	1.3
193.01454	0.4
193.05054	1.5
195.10239	0.4
197.04555	3.8
197.06212	0.6
201.01952	0.3
203.03415	0.5
205.01457	1.6
205.04988	0.5
206.02148	0.7
209.04556	13.8
210.04836	0.5
216.00719	0.3
217.01440	1.9
219.02988	0.9
221.04611	2.3
223.92502	0.3
229.08745	0.6
231.03001	0.9
231.06679	0.8
239.05524	1.2
247.02556	0.5
247.09628	0.5
255.06566	0.4
269.04816	0.8
269.07672	0.3
271.05978	0.3
271.09720	0.6
273.07767	10.6
274.08084	0.7
283.06094	0.3
285.07755	2.3
289.07028	0.3
297.06430	0.3
299.09363	0.5
300.99963	0.6
302.00406	0.2
313.07050	0.3
315.08820	100.0
316.09152	9.5
327.08853	1.3
328.05969	0.4
329.06610	0.8
341.06763	5.0
342.07175	0.7
345.06207	0.8
345.09866	22.7
346.10168	2.2
357.09796	1.1
358.10666	0.3
399.10971	0.3
403.03262	0.4
417.12216	1.9
420.56146	0.4
435.13336	7.7
435.22406	0.6
436.12790	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31087	0.2
56.64233	0.2
57.03341	1.7
59.00990	0.2
59.01252	1.2
61.98721	0.3
63.60181	0.2
65.00212	1.0
69.69541	0.2
71.01266	0.3
72.75331	0.2
81.03352	10.7
82.03663	0.3
83.01269	4.8
85.41553	0.2
93.03358	8.5
94.03687	0.3
95.01290	0.4
95.04929	0.8
107.01279	1.3
109.02860	0.8
111.00837	0.2
111.04417	0.5
119.04944	10.3
120.05251	0.3
121.02863	0.3
121.29590	0.2
123.04443	36.3
124.04791	1.3
125.02371	17.1
126.02704	0.6
135.04448	2.0
137.02359	0.3
139.03865	0.2
143.05038	0.3
145.02853	0.6
147.04420	0.6
149.02402	2.8
151.00307	2.8
151.03929	0.5
156.37820	0.3
162.03064	0.3
163.03889	0.2
163.07597	0.2
165.05537	0.3
166.02672	0.2
167.03453	81.5
168.03799	3.5
169.06596	0.4
171.04530	0.5
177.01913	1.5
179.03453	8.8
180.03822	0.4
187.07565	0.5
188.04790	0.2
189.01959	1.7
189.05551	2.3
190.02690	0.6
191.03413	1.3
211.07722	0.4
216.00566	0.5
217.01421	0.9
219.02902	0.3
229.08644	0.9
229.44931	0.3
231.03000	0.3
255.06639	0.7
257.03583	0.3
271.06134	0.4
273.07742	100.0
274.08084	8.7
281.04605	0.6
287.04343	0.3
288.04678	0.3
297.07681	1.0
315.08752	0.4
341.06720	6.0
342.06989	0.5
420.25287	0.2
435.11346	2.6
451.94708	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.4
58.00463	0.4
59.01269	7.7
59.30800	0.3
60.01585	0.4
61.98718	22.6
62.98429	0.5
67.01767	0.9
69.03339	0.7
69.39016	3.3
71.01263	4.8
72.99203	0.7
73.02856	0.5
77.24882	0.3
79.01781	1.1
80.20427	0.3
83.01244	0.7
85.02834	1.0
89.02329	2.6
95.01283	1.7
96.34726	0.3
97.02833	0.7
101.02345	2.1
107.01285	3.1
110.00018	0.4
111.00806	2.4
113.02359	1.8
119.03410	0.4
123.00803	15.2
124.01575	1.0
125.02374	15.0
126.02715	0.7
127.00319	0.9
136.98729	1.9
139.00311	3.4
140.01108	3.2
141.01917	2.5
151.00317	10.1
151.03937	0.5
153.01855	0.6
159.04291	0.3
167.03374	0.6
167.99236	0.2
168.00607	4.5
169.01378	20.1
170.01706	0.9
173.49605	0.4
179.03360	0.3
181.05048	0.5
189.86606	0.3
201.76004	0.3
211.02455	5.2
271.04675	4.1
273.12546	0.4
313.05704	1.3
355.36246	0.4
415.90839	0.3
435.13049	100.0
436.13425	11.5
444.03278	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	8.7
61.93322	0.3
61.98716	26.5
62.99136	0.4
67.01774	0.6
69.03339	0.6
70.99968	0.4
71.00298	0.7
71.01271	4.6
72.99188	0.5
73.02831	0.5
79.01789	1.2
83.01271	0.7
85.02852	1.7
87.00748	0.5
89.02333	2.4
89.65743	0.4
91.21288	0.3
95.01297	1.9
101.02354	2.3
107.01307	4.6
109.99986	0.5
111.00784	2.1
113.02361	2.0
117.59492	0.3
119.03424	0.7
123.00809	16.7
124.01599	1.3
125.02371	15.3
126.02713	0.4
127.00260	0.7
128.00955	0.3
136.98700	1.4
139.00314	4.4
140.01122	3.6
141.01906	2.1
151.00330	9.5
152.00612	0.5
153.01851	0.5
163.03847	0.4
166.69014	0.4
167.03445	0.4
168.00610	4.5
169.01392	19.5
170.01703	0.9
179.03499	0.4
191.03299	0.4
211.02507	3.9
248.23143	0.3
253.03572	0.5
271.04620	4.1
273.10034	0.5
299.38397	0.3
313.05719	1.0
422.67136	0.4
435.13052	100.0
436.13409	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	435.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	9.2
67.01772	0.8
70.29201	2.8
71.01273	8.8
72.99200	1.1
73.02825	1.7
79.01785	1.2
83.01286	1.4
85.02840	3.0
87.00775	1.2
89.02341	4.9
95.01278	2.6
96.95931	1.4
97.02847	0.7
98.20535	0.9
101.02368	5.3
105.10029	0.6
106.11082	0.6
107.01298	6.0
111.00790	2.5
113.02351	2.9
119.03416	1.2
121.04996	2.2
123.00810	18.1
125.02379	25.2
126.02681	0.9
127.00311	0.9
136.98743	1.4
139.00308	5.0
140.01125	3.8
141.01877	3.9
149.02403	0.7
150.03174	2.3
151.00323	13.3
153.01857	1.2
164.04808	1.4
165.04343	0.8
165.05498	4.4
168.00572	4.6
169.01392	38.2
170.01674	1.7
171.88152	0.6
195.06631	1.3
211.02483	4.7
223.02379	0.8
238.26276	0.8
255.05127	0.8
271.04645	8.2
313.05872	3.9
315.90457	0.7
327.11102	1.0
435.11551	100.0
436.11865	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	435.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63668	0.4
59.01266	2.0
70.06687	2.4
71.01320	0.5
90.42422	0.4
93.03357	7.8
95.01330	0.6
95.04951	1.2
98.19860	0.7
100.90955	0.4
105.03370	0.5
107.04292	0.4
107.04954	0.6
108.02137	0.5
109.02860	15.5
117.03423	1.7
119.04975	2.5
121.02921	1.5
122.03721	0.7
123.04443	12.2
125.02414	2.0
130.40886	0.4
133.02933	2.0
137.02422	0.5
145.02896	8.4
147.04430	2.6
148.01558	0.6
149.02463	1.5
150.03221	1.5
151.03955	6.9
159.04514	1.8
161.02385	2.3
161.06044	1.1
162.03209	1.1
163.00319	0.5
163.03967	1.2
166.02689	2.3
167.03479	2.0
175.03992	1.0
176.01231	0.8
177.01891	23.5
178.02267	1.3
179.03465	0.5
181.05078	1.7
187.03970	3.0
187.51558	0.4
188.04681	1.2
189.01907	36.4
190.02654	9.2
191.03485	7.4
191.05098	0.5
192.03787	0.6
201.05669	0.4
203.03502	3.9
203.07176	0.8
205.05104	0.7
213.05490	0.5
214.02754	0.6
216.00629	7.4
217.01419	28.3
218.02084	3.5
219.02982	10.7
220.03389	0.7
222.01759	0.5
227.07147	1.4
229.05177	2.2
229.08717	1.7
231.03006	9.7
231.05180	0.8
232.03694	1.0
233.04497	0.9
241.05089	1.2
243.06631	0.8
245.08208	1.0
251.42879	0.4
253.05077	0.5
255.06761	0.6
269.04581	0.7
269.08313	0.5
270.66296	0.4
271.06189	5.2
273.07745	1.1
281.04630	5.1
282.05237	1.2
283.06195	2.7
289.07330	3.9
297.07727	3.5
298.08105	0.5
311.05603	4.7
312.06030	0.6
323.05618	1.2
341.06729	100.0
342.07034	10.4
435.10898	30.3
436.11237	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1095
Annotation	Epigallocatechin 3-O-cinnamate
Peak:m/z	Relative Intensity
57.03333	7.5
69.03330	1.5
70.07847	5.0
81.03339	4.3
83.01251	5.3
84.91673	1.2
86.85783	1.2
93.03354	17.5
95.01258	1.5
95.04940	6.0
97.02856	8.4
98.20483	1.1
103.05460	1.4
103.07146	1.1
108.02100	1.4
109.02865	49.8
110.03182	1.5
112.86572	1.1
117.03376	29.4
117.04195	2.2
118.03690	1.2
119.04947	26.3
120.05323	1.2
121.02858	7.8
122.03692	1.1
123.04447	37.7
124.04823	1.7
124.65928	1.0
125.01439	1.9
125.02365	37.2
125.65656	1.0
126.02701	1.1
133.02867	5.1
135.04431	3.2
137.02377	35.1
139.03922	3.1
145.02892	83.5
146.03395	3.6
147.04442	7.4
149.02374	8.8
150.03120	3.4
151.03951	20.0
157.06680	1.3
159.04486	8.6
160.05209	1.4
161.02356	5.4
161.06013	8.6
162.03169	3.7
163.03954	14.8
164.01076	4.0
165.01881	30.3
166.02350	1.0
167.03395	1.8
173.06064	1.7
175.03943	3.1
175.07658	1.5
176.01128	1.2
177.01897	35.6
178.02206	1.7
179.03452	4.9
183.07326	1.1
185.06085	2.9
187.03960	8.5
188.04710	3.9
189.01904	75.4
190.02625	17.0
191.03452	17.2
199.07664	1.3
201.05542	1.8
202.06335	3.0
203.03511	11.8
203.07106	15.8
205.05042	8.6
209.06104	1.3
216.00661	12.2
217.01408	49.4
218.01932	4.7
219.02986	16.9
220.03398	1.7
221.08180	3.0
227.07130	5.1
229.04962	1.2
230.06129	1.3
231.02966	16.2
232.03642	1.2
241.05124	2.6
245.08214	15.5
247.06183	1.1
253.08832	4.0
269.04758	1.1
269.08221	6.8
271.06165	7.5
281.04608	3.3
283.06119	2.5
285.07834	2.1
289.07254	98.0
290.07574	7.0
294.11032	1.2
297.07825	2.1
311.05698	6.1
315.05173	1.4
323.05725	2.5
341.06732	100.0
342.07095	8.7
435.10931	49.7
436.11319	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	435.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03346	0.3
59.01268	1.5
61.98716	0.3
65.00213	0.3
65.03825	0.2
65.62092	0.2
67.10970	0.2
67.81072	0.2
69.30640	1.4
69.31042	0.5
71.01289	1.1
73.02829	0.4
80.51510	0.2
81.03364	0.5
83.01283	0.7
85.02815	0.5
89.02345	0.3
89.03863	0.4
91.01776	0.3
93.03363	7.4
94.03705	0.4
95.04940	1.1
97.02885	0.4
99.00790	0.2
101.02348	0.8
103.05516	0.3
103.06702	0.2
105.03381	0.5
105.46293	0.2
107.04926	0.3
108.02077	0.6
109.02868	15.1
110.03233	0.4
113.02373	0.4
117.03358	1.8
117.38604	0.2
119.04936	2.6
121.02830	1.2
122.03613	0.7
123.04443	13.3
124.04765	0.3
125.02386	1.3
131.04909	0.2
133.02879	2.5
134.03650	0.3
135.00864	0.4
135.04498	0.5
137.02403	0.7
138.97174	0.2
139.03952	0.3
143.04956	0.3
145.02895	6.8
145.04048	0.3
147.04454	2.7
148.01572	0.3
149.02422	1.5
150.03159	0.9
151.03952	6.1
152.04297	0.3
159.04533	1.3
161.02391	2.4
161.04649	0.4
161.06021	1.1
162.03221	1.2
163.00327	0.4
163.03972	1.2
165.01877	0.7
173.02419	0.7
173.06020	0.3
174.06345	0.2
175.03957	1.0
176.01135	1.2
176.04794	0.3
177.01895	21.3
178.02240	0.9
179.03481	0.5
185.06017	0.6
187.03987	2.7
188.04803	1.4
189.01909	28.8
190.02673	8.4
191.03471	6.0
197.06097	0.3
199.07663	0.6
201.05537	0.7
203.03511	2.8
203.07170	1.2
204.03876	0.2
205.05161	0.5
212.04750	0.3
213.05537	0.4
214.02792	0.4
216.00645	6.1
217.01422	19.5
218.02032	2.4
219.02994	8.3
219.04724	0.2
220.03365	0.5
222.01758	0.5
225.05696	0.4
226.06337	0.2
227.07169	1.5
229.05109	2.5
229.08664	1.6
231.02989	5.8
232.03586	1.2
233.04446	0.7
237.05653	0.4
239.07071	0.2
241.05022	1.3
243.06744	0.4
245.08170	1.0
251.07257	0.2
253.05116	0.7
254.05853	0.5
255.06610	1.3
264.04291	0.4
265.05133	0.5
269.04691	0.6
269.08368	0.4
271.06192	5.3
272.06381	0.5
279.06702	0.6
281.04633	6.2
281.07288	0.2
282.05173	1.1
283.06198	2.2
284.06595	0.3
289.07233	4.4
290.07748	0.3
295.05997	0.3
297.07761	3.8
298.08029	0.5
303.18280	0.8
307.25720	0.2
311.05676	2.8
312.06073	0.3
323.05649	1.2
325.07220	0.5
335.01462	0.2
341.06738	100.0
342.07068	9.5
434.24774	0.4
435.10925	23.3
435.21539	2.0
436.11316	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0944
Annotation	Taxifolin 3-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
55.01785	0.7
59.01257	5.3
59.97459	0.6
60.22910	0.7
68.99711	1.1
69.03308	0.6
71.01273	7.5
71.13947	1.4
72.99201	1.0
73.02827	2.9
74.30601	0.7
81.03346	0.6
83.01277	1.4
85.02840	4.9
87.00755	0.6
89.02341	2.1
91.10635	0.6
93.03365	13.4
95.01286	3.5
97.02863	0.6
99.00768	1.2
101.02368	5.1
107.01294	1.7
108.02085	52.0
109.02876	32.5
110.03235	0.8
113.02357	3.5
119.03500	0.6
119.04944	0.9
120.19994	0.7
121.02865	2.4
123.00824	2.9
123.04413	1.1
125.02365	3.1
135.04501	0.9
136.01588	1.9
137.02382	26.2
138.02809	1.0
139.00294	1.1
151.00325	5.5
151.03922	1.1
152.01105	77.5
153.01900	24.6
161.02359	1.3
161.04539	1.0
163.00281	1.1
163.04005	1.5
165.01892	1.3
166.99934	0.7
169.01392	2.7
177.01898	1.6
178.99852	7.1
181.04922	0.7
187.03955	0.7
200.58232	0.6
202.55035	0.6
204.51195	0.7
205.01488	0.9
206.02145	0.7
207.02959	0.7
217.01443	0.8
221.04588	0.7
232.03810	2.9
243.02876	0.7
245.00949	0.9
253.27570	0.6
271.02570	2.2
271.05927	0.6
271.99661	1.0
273.00446	3.0
273.07510	1.5
274.00934	1.0
281.06732	7.1
285.03970	0.7
287.01999	1.0
288.02829	17.1
289.03607	4.8
289.06433	1.1
303.05145	3.2
315.07303	9.6
316.07730	1.0
357.13571	2.0
391.10352	1.7
435.09418	100.0
435.22147	2.4
436.04495	1.0
436.09836	11.2
439.54297	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	0.2
59.01265	7.0
60.01604	1.3
61.01695	1.3
61.98717	100.0
62.98423	0.2
63.99144	0.3
69.03350	0.2
69.56319	0.8
71.01270	1.1
72.01630	0.1
72.99196	0.4
73.02842	0.3
79.05450	0.1
83.04929	0.3
85.02856	0.4
89.02345	0.4
93.03387	0.1
95.01337	0.1
101.02341	0.6
102.02710	0.1
103.02772	0.2
107.01344	0.2
109.02858	0.2
111.00843	0.2
113.02345	0.6
115.03954	0.1
116.39297	0.1
119.03434	0.2
119.04926	0.1
123.00813	0.5
125.02356	0.7
127.03922	0.2
129.80304	0.1
139.00285	0.2
151.00327	0.3
153.01949	0.2
161.04544	0.2
166.99809	0.4
168.00577	0.1
169.01387	0.7
177.01952	0.3
189.01933	0.3
217.01540	0.1
247.02530	0.1
260.93863	0.1
272.06683	0.2
273.09940	0.7
277.51968	0.1
341.06729	0.5
372.21548	0.3
373.21420	0.2
374.21719	1.4
434.11630	0.2
435.13095	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00486	0.4
59.01265	100.0
60.01607	1.4
61.98401	0.2
61.98722	1.0
64.71909	0.2
71.01272	7.4
72.99180	0.4
73.02842	1.0
83.01280	0.6
85.02832	2.0
87.00768	0.3
89.02336	6.1
93.03393	0.5
95.01299	0.4
99.00777	0.7
101.02342	5.1
113.02361	3.5
119.03409	2.5
123.00799	0.6
125.02373	2.1
131.03445	0.4
137.02380	0.7
139.00345	0.4
143.03447	0.9
159.02937	0.5
161.02483	0.4
161.04504	5.9
162.04800	0.3
165.99037	0.6
168.00624	0.6
169.01344	1.5
179.05576	1.4
211.04018	0.5
243.06693	0.6
270.05408	0.4
271.06268	1.9
281.06723	0.8
356.60068	0.7
357.07230	0.6
357.57431	0.4
363.42993	0.3
373.22391	16.8
374.22662	2.1
405.93121	0.2
433.11929	1.2
433.24472	1.0
439.07193	0.2
458.55060	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95087	0.2
57.03350	0.3
59.01266	100.0
60.01599	0.8
61.98716	0.6
65.00204	0.3
65.09832	0.2
69.20159	0.2
71.01269	4.4
72.99220	0.4
73.02840	0.7
76.19222	0.2
83.01293	0.7
85.02850	0.9
87.00797	0.6
89.02338	4.5
89.02841	0.4
95.01314	0.6
96.95904	0.2
98.20559	0.6
99.00784	0.9
101.02348	2.0
107.01303	0.3
111.00796	0.4
113.02344	1.8
113.76725	0.2
119.03432	1.7
119.04962	0.3
121.02898	0.4
123.00837	0.6
125.02384	1.7
135.04506	0.4
137.02406	0.5
139.00304	0.5
143.03485	0.5
145.02916	0.4
147.04454	0.3
149.02379	0.4
151.00339	0.7
161.02397	0.6
161.04539	1.4
163.00316	0.9
165.01929	0.5
166.99754	0.3
169.01411	1.0
173.02531	0.3
175.04062	0.4
177.01872	0.6
178.99811	0.4
179.05568	1.3
189.01881	0.5
191.03415	0.4
193.01326	0.4
201.01953	0.3
203.03464	0.5
217.01540	0.3
219.02849	0.3
231.03139	0.3
238.63748	0.3
243.02946	0.5
245.00929	0.4
247.02612	1.1
255.03197	0.8
271.02576	1.4
271.06155	1.2
273.00632	0.8
275.02109	0.8
283.99744	0.3
300.02795	1.9
301.00024	2.0
301.03665	2.6
302.04062	0.3
373.22711	1.3
380.54578	0.3
394.54172	0.3
409.54874	0.4
410.55579	1.1
411.56381	0.4
418.55508	0.6
419.56259	1.5
433.07382	1.7
433.25580	0.4
433.55942	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.3
58.00487	0.5
59.01266	100.0
60.01594	1.0
61.98720	0.5
65.55698	0.2
65.98933	0.3
71.01271	9.0
72.99206	0.5
73.02845	1.5
77.16915	0.3
80.52200	0.3
83.01305	1.0
85.02845	2.5
87.00796	0.4
88.60944	0.3
89.02337	7.5
95.01299	0.4
99.00803	0.9
101.02348	6.5
107.81277	0.2
113.02364	4.0
119.03409	3.6
125.02391	0.6
126.04758	0.3
131.03403	0.3
143.03447	0.8
159.02977	0.7
161.04506	7.3
179.05542	1.3
251.49376	0.3
373.22385	30.2
374.22662	3.1
433.10364	0.3
433.24557	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2454
Annotation	Dictamnoside J
Peak:m/z	Relative Intensity
55.01770	1.7
57.03318	1.5
58.00458	1.0
58.74721	0.3
59.01266	32.3
60.01602	0.4
61.98695	1.3
71.01271	22.9
71.04900	0.6
71.52215	0.7
72.01587	0.4
72.99190	1.8
73.02840	4.8
81.03326	1.0
82.98276	0.3
83.01277	3.5
83.04474	0.4
83.04919	7.4
85.02354	0.6
85.02846	11.0
87.00767	1.1
89.02334	9.2
95.01270	2.3
99.00780	1.9
101.02348	16.8
102.02611	0.4
111.00758	1.0
113.02350	7.9
113.09634	4.1
119.03436	3.0
125.02326	1.3
125.09651	0.4
127.03890	0.5
129.01823	0.4
141.01886	0.3
143.03389	0.5
143.10632	1.3
159.02916	0.8
161.04515	3.3
162.09866	0.3
169.01352	0.7
183.17506	4.2
187.08510	0.4
205.03224	0.4
209.15466	6.1
209.18808	0.4
227.16542	39.3
228.16887	3.1
235.17072	0.6
237.59850	0.4
253.18164	2.2
271.22849	0.6
281.17484	0.5
335.12384	0.4
340.90555	0.3
373.22061	0.8
415.23495	2.7
433.24200	100.0
434.24521	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	433.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01949	0.1
55.10502	0.1
56.24394	0.1
59.00986	0.2
59.01265	1.7
60.71012	0.1
62.96298	0.2
71.22294	0.2
71.22610	0.2
78.95795	48.0
82.57219	0.1
96.96865	6.1
133.84657	0.1
150.97964	1.5
152.99527	100.0
153.99867	1.7
160.27617	0.1
171.00609	3.9
265.58356	0.1
279.23224	0.8
373.22687	0.2
433.23721	9.6
433.32941	1.4
434.24094	1.2
434.33722	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	5.2
69.31956	1.9
69.32384	1.5
71.01268	0.4
78.66740	0.3
78.95798	67.7
84.18944	0.4
86.49766	0.4
96.20661	0.3
96.96863	5.9
99.55613	0.3
134.63687	0.4
150.97963	1.5
151.04326	0.4
152.99532	100.0
153.99850	2.1
171.00574	2.4
193.47902	0.4
219.52209	0.4
226.97978	0.3
255.43372	0.3
279.23297	1.6
335.30542	0.3
348.47037	0.4
433.23712	15.2
433.33395	1.9
434.24188	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	433.1361
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
59.00992	1.5
59.01261	16.7
67.01754	1.2
71.01278	7.1
71.60532	1.0
72.99189	1.6
73.02830	2.5
75.62272	0.9
79.01778	1.7
81.82443	0.8
83.01313	1.0
85.02859	4.4
89.02335	2.8
95.01305	2.8
101.02341	5.3
107.01284	4.2
108.42991	1.0
111.00785	3.8
113.02341	2.5
119.07002	1.1
123.00799	19.7
125.02367	24.7
126.02750	0.9
127.00376	1.4
127.46993	0.9
136.98761	1.5
137.02371	1.8
139.00322	6.5
140.01088	4.8
141.01849	3.9
151.00294	15.0
153.01801	1.6
153.65204	0.9
166.99620	0.9
168.00612	5.2
169.01384	35.1
181.05077	1.2
184.26624	0.9
211.02446	3.3
231.77963	0.9
253.03517	0.9
271.04803	4.5
313.05734	2.3
343.08112	1.1
433.13608	100.0
434.13901	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	431.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53939	0.2
59.01267	3.7
60.35290	0.1
61.28432	0.1
61.98722	0.2
62.96292	0.4
70.67638	0.4
71.01264	0.3
71.75513	0.2
78.95795	68.9
88.98678	0.2
96.96867	5.6
101.02389	0.2
113.02377	0.2
150.97974	1.8
152.99527	100.0
153.99864	1.6
155.39415	0.1
161.04512	0.3
171.00607	2.7
217.49516	0.2
226.77866	0.2
233.31407	0.2
238.66171	0.2
277.21829	1.0
278.22354	0.2
284.03296	0.2
347.15109	0.2
371.20911	0.5
431.22141	14.8
431.30862	1.0
432.22577	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80182	0.2
59.01266	13.8
60.01598	1.5
61.01690	2.4
61.07057	0.2
61.98719	100.0
69.64179	1.7
71.01271	2.0
71.36977	0.3
72.99224	0.3
73.02843	0.4
83.01296	0.3
85.02871	0.6
89.02341	1.6
90.02715	0.4
91.02758	0.4
95.01290	0.4
98.20547	0.4
101.02375	1.4
107.01380	0.4
111.00796	0.5
113.02374	0.7
119.03461	0.9
123.00828	1.1
125.02380	1.7
139.00345	0.7
145.02921	0.7
151.00357	0.5
163.00371	0.3
166.99887	1.0
168.00638	0.3
169.01416	1.2
179.05560	0.4
181.05989	0.3
206.22906	0.2
248.96317	0.3
251.22955	0.3
269.04294	0.3
270.01569	0.4
275.02100	0.4
301.00107	1.2
409.55084	0.4
432.16058	2.2
433.16412	0.4
433.24985	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.3
63.02286	2.8
65.00212	8.2
71.36903	0.5
77.28488	0.4
83.01293	4.1
93.03361	9.2
107.01298	14.1
108.02116	0.5
112.22101	0.4
115.88157	0.4
119.04951	44.4
120.05308	1.8
121.02856	0.8
125.02351	1.8
131.01318	0.7
137.02380	0.6
145.02885	1.3
149.02356	0.6
150.03168	0.6
151.00319	47.2
152.00702	1.9
161.05980	0.6
163.07571	0.3
164.01065	1.1
165.01906	2.9
169.01407	1.5
175.00328	1.6
177.01936	6.5
178.02185	0.5
185.06071	0.6
187.03999	0.6
189.01721	0.4
193.01463	0.9
193.83488	0.5
196.30093	0.4
204.12450	0.4
219.02936	0.6
227.07214	1.1
253.05203	0.5
271.06189	100.0
272.06543	8.0
295.06250	1.3
311.05746	0.7
313.07333	1.7
433.11490	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48296	0.1
59.01263	1.3
62.96293	0.3
71.10694	0.2
78.76060	0.1
78.95796	49.5
96.96867	6.5
96.97500	0.3
150.97954	1.6
152.99533	100.0
153.99883	1.6
157.60135	0.1
171.00604	4.3
173.96227	0.1
180.73643	0.2
187.84589	0.2
231.25531	0.1
277.21848	0.7
325.51178	0.1
372.38803	0.1
431.22174	7.5
431.31848	0.5
432.22461	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93224	0.1
55.98809	0.1
59.01264	0.8
61.12684	0.2
62.96305	0.2
70.38239	0.2
70.38641	0.4
78.95795	50.7
86.75309	0.2
87.79176	0.2
96.96864	6.6
107.01976	0.2
120.01360	0.2
142.39417	0.2
150.97958	1.9
152.99527	100.0
153.99869	1.7
171.00609	4.4
277.21796	0.9
431.22171	7.1
432.22446	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08632	0.3
58.47195	0.4
59.01260	0.7
59.89627	0.3
63.02287	0.5
65.00208	0.5
69.21699	0.4
69.52495	2.9
78.99348	0.4
83.01302	0.3
90.23047	0.3
91.01778	0.6
93.03365	1.8
98.19801	0.8
107.01306	2.4
109.02854	0.6
117.03381	0.3
120.02101	0.6
125.02413	0.5
132.02139	0.7
135.00821	1.4
137.02373	0.4
143.04956	0.8
145.02844	0.3
151.00317	1.4
153.01881	0.4
154.39540	0.3
155.04965	0.4
156.05783	0.4
157.06523	0.6
158.03644	0.5
159.04436	1.3
163.00374	2.3
164.01003	0.5
167.04994	0.5
169.06606	0.8
171.04440	0.9
173.10815	0.3
182.03786	0.5
183.04483	1.6
185.06050	2.8
187.03969	3.2
188.04269	0.4
189.05560	0.5
190.99881	0.4
195.04550	0.8
196.05222	0.5
197.06062	0.8
199.03993	1.5
200.04691	0.3
201.05557	0.5
211.04062	2.9
213.05530	2.2
215.03461	0.5
227.03517	58.1
228.03897	3.6
229.05078	12.1
230.05408	0.8
239.03513	2.3
240.04288	0.9
241.05077	1.6
243.03065	0.7
255.03038	82.4
256.03635	8.3
257.04645	5.8
267.03079	1.0
283.02472	0.4
284.03336	67.5
285.04105	100.0
286.04468	7.7
299.93277	0.4
389.60507	0.4
431.09933	53.9
432.10269	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	431.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01612	0.9
65.70068	0.4
71.01270	2.4
71.39900	0.6
72.99188	0.5
73.02821	0.7
74.68125	0.4
83.01270	0.6
85.02853	0.9
87.00797	0.8
87.34470	0.4
89.02335	1.0
95.01283	2.0
99.00774	0.6
99.04405	0.6
101.02388	1.0
107.01299	1.1
109.02881	0.7
111.00803	2.0
113.02346	0.7
115.38376	0.4
117.05515	2.7
121.02922	1.0
123.00794	4.4
123.04451	1.5
124.01647	0.5
125.02370	9.7
135.04440	1.3
137.02382	1.1
139.00317	2.9
140.01094	0.8
141.01826	0.6
145.02824	0.6
147.90831	0.5
150.03102	0.4
151.00282	1.0
151.03952	1.9
152.72870	0.5
161.02438	4.1
161.04510	0.9
162.02818	0.6
163.00313	0.7
163.04050	0.7
165.01904	0.6
166.99823	4.0
168.00568	1.9
169.01379	9.9
175.03972	1.2
176.04721	1.9
177.01982	1.1
179.03445	4.7
185.00986	0.8
189.01862	1.0
191.07109	0.6
194.05836	6.4
199.04097	0.6
201.01852	0.7
203.03656	0.5
209.08192	20.6
210.08514	1.3
211.02486	6.5
217.01518	0.9
229.01492	0.6
243.03012	0.8
245.01003	0.8
247.02478	0.7
271.04663	10.1
272.05075	0.7
273.00348	0.8
275.01999	1.0
277.68881	0.5
279.10928	2.3
289.07068	0.6
300.99942	3.0
313.05637	1.0
331.06763	1.0
371.20633	0.7
381.55173	0.7
387.55237	1.1
396.09363	1.7
401.10767	0.9
408.53915	1.1
409.54669	1.6
413.11050	2.4
431.03085	0.7
431.11954	17.5
432.12280	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.3
57.03343	0.6
58.00480	1.0
59.01265	100.0
60.01598	1.1
61.98712	0.2
69.03345	0.7
69.56728	1.0
69.57139	0.4
71.01270	19.8
71.04934	0.2
72.01607	0.3
72.99200	1.8
73.02848	0.6
75.00770	0.3
78.95789	0.2
83.01267	0.8
85.02841	2.9
87.00754	1.2
89.02338	27.4
90.02673	0.4
95.01305	1.5
97.02836	0.4
99.00758	0.3
101.02345	9.9
102.02660	0.2
107.01276	0.3
107.03362	0.2
107.04903	0.3
111.00810	0.3
113.02359	8.0
114.02676	0.3
119.03422	9.5
120.03735	0.2
121.06522	0.3
123.00802	0.6
125.02351	1.5
131.03433	1.3
135.04524	0.2
137.02380	0.2
139.00285	0.4
140.25494	0.1
141.01799	0.2
143.03433	2.4
149.04498	1.3
150.03087	0.2
151.04010	0.2
152.99471	0.4
161.04506	2.9
161.09610	0.6
161.13326	0.3
162.04680	0.2
166.99791	0.5
168.00554	0.2
169.01372	1.3
179.05576	7.4
180.05963	0.2
185.00900	0.4
187.11298	0.8
187.68381	0.2
189.09044	0.2
189.12755	0.3
205.12251	0.6
207.10291	0.2
207.18431	0.2
223.11356	0.3
223.13405	3.2
224.13332	0.2
249.11285	0.5
267.12451	2.9
268.12659	0.3
277.06354	0.7
300.99875	0.2
315.69012	0.2
332.84314	0.2
352.55988	0.2
353.06760	0.8
353.56949	0.3
354.11115	0.3
369.19080	0.3
429.07593	0.3
429.17215	0.8
429.21808	0.4
430.11560	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.2
59.01266	100.0
60.01604	0.9
61.98721	0.3
62.07437	0.2
69.36848	0.6
69.37256	1.4
71.01274	3.1
72.99207	0.2
73.02844	0.4
74.99000	0.5
83.01301	0.3
85.02843	1.1
89.02342	2.5
95.01289	0.3
98.20684	0.2
99.00797	0.3
101.02345	2.2
109.88363	0.2
113.02350	1.8
119.03419	1.4
119.51094	0.2
125.02391	0.6
136.99123	0.8
143.03476	0.2
159.02908	0.2
161.04514	2.3
169.01398	0.4
179.05653	0.5
191.92789	0.2
301.00055	0.3
369.19250	4.3
370.19568	0.5
429.08450	0.7
429.21292	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87186	0.2
55.44622	0.2
57.03347	0.2
58.00497	0.4
59.01268	100.0
60.01619	0.9
61.98719	0.7
71.01271	6.6
72.99220	0.4
73.02852	0.5
79.60139	0.2
83.01266	0.5
85.02859	1.4
86.94661	0.2
87.00778	0.5
89.02344	9.3
95.01282	0.5
98.19747	0.5
101.02363	2.9
113.02355	2.3
119.03424	3.5
125.02371	1.1
131.03424	0.4
139.00246	0.3
143.03490	0.8
159.04655	0.3
161.04475	1.2
166.99792	0.4
169.01407	0.9
172.20216	0.2
179.05592	2.2
223.13460	0.3
245.08356	0.3
255.03171	0.4
259.10971	0.3
267.12439	0.3
283.02750	0.5
301.00156	0.4
325.03577	0.3
366.99426	0.3
369.19315	0.8
429.08591	0.5
429.13831	0.4
429.21503	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03392	0.2
51.68850	0.2
59.01265	100.0
60.01601	1.1
61.98721	0.2
63.84755	0.2
64.73124	0.2
64.77811	0.2
65.85445	0.2
71.01270	5.4
71.16441	0.5
72.99203	0.3
73.02826	0.4
76.88092	0.2
85.02850	0.6
85.40079	0.2
86.81979	0.2
87.00791	0.4
89.02339	8.0
95.01292	0.3
97.02889	0.2
101.02332	2.6
107.01303	0.2
113.02370	2.3
113.08952	0.2
118.09847	0.2
119.03420	3.5
125.02359	1.1
131.03471	0.5
143.03444	0.8
149.04509	0.3
161.04517	1.1
169.01376	1.0
179.05568	2.5
184.39355	0.2
206.99791	0.3
227.59673	0.2
276.07547	0.6
276.57721	1.2
352.08194	0.2
352.58221	1.3
353.08475	0.3
369.19467	0.3
428.58691	0.3
429.08862	0.4
429.21127	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35811	0.2
57.45285	0.2
58.00483	0.7
58.91615	0.2
59.01264	100.0
60.01601	0.9
61.03807	0.2
62.04428	0.2
63.79561	0.2
70.89198	0.7
71.01269	13.6
72.12070	0.2
72.48345	0.3
72.99203	0.6
73.02833	0.4
85.02842	1.5
87.00784	0.8
89.02338	24.7
89.39109	0.2
90.02695	0.5
95.01288	0.7
95.98553	0.2
96.87555	0.3
101.02345	6.7
101.03006	0.4
112.36383	0.2
113.02362	6.0
119.03416	9.5
125.02335	0.3
131.03435	1.1
142.30627	0.2
143.03421	1.7
149.04503	0.7
161.04506	2.1
179.05577	6.5
429.21451	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87685	0.3
58.00490	0.5
59.01266	100.0
60.01603	1.3
69.28442	4.1
71.01273	10.1
72.99213	0.6
73.02852	0.7
83.01314	0.5
85.02853	1.5
87.00784	0.6
89.02341	17.9
90.02704	0.4
93.30550	0.3
95.01318	0.7
101.02355	5.8
113.02364	5.9
119.03424	7.7
125.02371	0.4
131.03484	0.9
137.09631	2.3
138.09979	0.3
143.03476	1.7
149.04567	0.8
161.04523	2.3
179.05579	4.9
279.25192	0.3
354.11545	0.4
409.83014	0.3
423.89584	0.3
429.21405	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01790	0.2
57.03326	0.4
58.00484	0.9
58.11643	0.2
59.01267	100.0
60.01590	1.2
69.03319	0.3
71.01273	18.0
71.29598	0.5
72.01628	0.4
72.99205	0.9
73.02858	0.4
83.01305	0.5
85.02844	2.4
87.00787	0.9
89.02341	25.6
90.02713	0.4
95.01308	1.0
101.02350	8.2
113.02367	7.5
119.03429	9.2
119.04233	0.5
120.02626	0.2
120.03682	0.3
120.13792	0.2
125.02415	0.7
131.03436	1.2
132.58536	0.2
143.03479	2.1
149.04530	1.0
161.04506	2.1
169.01437	0.6
179.05585	6.9
180.05910	0.4
180.11267	0.2
189.12779	0.3
223.13443	0.5
267.12485	0.4
277.06647	0.3
277.56699	0.3
353.06906	0.3
353.57538	0.3
429.21902	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.3
57.03335	0.6
59.01266	100.0
60.01603	1.2
60.01899	0.2
69.03354	0.3
69.35143	0.3
69.35471	2.6
71.01272	5.5
71.78677	0.3
72.01625	0.3
73.02853	1.4
77.18873	0.2
83.01291	0.6
85.02848	1.9
89.02342	2.5
89.10895	0.2
95.01296	0.5
96.95905	0.5
99.00794	0.6
101.02357	3.8
103.61447	0.2
109.02902	0.6
113.02350	2.7
113.03543	0.3
119.03441	0.8
123.00838	0.5
125.02395	0.9
137.02339	0.4
137.09648	4.5
139.00354	0.3
143.03447	0.3
154.75452	0.2
161.04514	2.1
163.11310	0.3
166.99834	0.6
169.01450	0.9
179.05534	0.4
207.13933	1.6
229.05038	0.5
369.19263	14.1
370.19745	1.1
429.08743	0.5
429.21313	1.3
450.99432	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.4
70.56288	0.8
99.92486	5.5
100.92630	0.5
100.93262	2.8
115.91990	100.0
116.91996	4.5
116.92781	6.1
120.62776	0.2
132.74586	0.3
132.92297	1.1
155.95132	0.2
172.95425	6.5
255.23357	0.7
355.15955	0.8
381.17520	1.0
411.18826	0.3
429.19583	6.0
429.29022	0.3
429.34372	0.5
430.19879	0.7
431.24643	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
61.98687	0.9
62.95603	0.7
69.04723	0.8
69.28627	0.7
71.01270	3.0
71.61246	1.0
73.49278	0.7
79.77219	0.7
89.02343	2.6
101.02334	0.9
125.02329	1.0
133.06497	1.9
149.84544	0.8
281.00494	0.8
293.21457	1.4
427.32608	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84692	0.3
58.44884	0.3
59.01266	100.0
60.01616	0.7
62.69720	0.3
70.67255	1.2
71.01283	1.5
71.47131	0.3
85.02893	0.4
89.02351	1.5
91.03913	3.0
96.45371	0.4
101.02347	0.4
112.52341	0.3
119.49125	0.4
121.65334	0.3
124.76026	0.4
125.02377	0.5
133.06519	0.9
133.31383	0.3
161.04539	0.3
171.10260	0.5
190.04710	0.3
195.13866	0.6
223.13480	0.3
275.20245	0.9
293.21310	12.1
293.24469	0.6
293.49011	0.4
294.21744	0.8
299.99368	0.4
427.28247	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
61.98728	1.8
71.01272	3.5
71.60074	1.3
71.60456	1.6
89.02350	3.5
100.43979	1.1
125.02379	1.3
154.13753	1.2
290.97113	1.5
423.45007	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0837
Annotation	3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone
Peak:m/z	Relative Intensity
59.01266	11.9
64.67116	0.3
69.35215	2.0
69.35628	1.1
71.01269	1.5
89.02341	1.3
100.92094	0.4
101.02340	0.9
109.48164	0.3
113.02373	0.9
119.03383	0.6
125.02360	0.6
131.09828	0.3
169.01395	0.7
179.05692	0.5
192.00554	0.4
193.01390	0.4
197.06044	0.7
199.03944	0.4
201.01891	0.4
209.05804	0.4
211.03990	0.4
211.52452	0.3
216.00552	0.4
217.01457	0.4
225.05557	0.7
227.03491	1.1
229.01598	0.6
230.99413	1.1
232.00044	0.8
237.05467	0.5
237.09479	0.4
239.03542	0.6
240.04260	0.9
241.05202	0.6
242.02242	0.7
244.00130	0.7
245.00897	0.7
253.01404	0.8
253.05118	1.0
254.02228	1.2
254.05782	0.8
255.03020	1.0
255.06680	0.9
256.00192	0.5
267.03082	1.2
268.03903	0.5
269.01004	4.0
269.04547	1.0
269.08276	0.8
270.01614	0.7
270.98923	1.1
271.02502	1.2
271.99597	0.7
281.00986	0.9
281.04501	0.8
281.08133	0.4
282.01773	1.2
282.05130	0.7
283.02460	1.6
283.06177	1.9
283.99683	2.0
285.00394	1.2
285.03702	0.4
295.02664	1.7
295.99780	0.4
296.03201	0.8
297.00488	2.9
297.04105	2.9
297.07446	0.7
298.01263	3.9
298.04544	0.6
299.01892	1.4
299.05466	0.5
299.99255	0.6
300.02878	0.5
301.00027	0.5
303.01340	0.6
304.02377	0.5
309.00497	0.7
309.04089	1.1
309.07626	0.5
309.28528	0.4
310.01407	0.6
310.04779	0.9
311.02075	6.6
312.02634	3.4
313.00055	0.4
313.03531	0.9
313.06952	0.8
323.02127	0.7
323.05554	0.4
323.99255	5.8
324.02750	0.7
324.99893	3.0
325.03625	13.7
325.07211	1.1
326.00705	0.6
326.04083	1.8
327.01511	2.8
327.05264	1.6
330.00562	0.5
335.02029	0.6
338.00723	0.5
339.01614	1.1
341.02954	0.6
341.06808	0.8
342.07251	0.5
353.03082	20.5
353.06723	1.6
354.03561	2.5
369.06201	2.2
397.05743	36.3
398.06015	4.7
429.08371	100.0
430.08716	13.5
442.42596	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31129	0.3
55.99430	0.3
57.03339	0.9
59.01264	100.0
60.01593	1.2
61.98721	2.8
69.47543	3.2
71.01278	1.6
73.02864	0.5
83.01285	0.4
85.02861	1.1
86.62614	0.3
86.65767	0.3
87.26515	0.3
89.02340	0.8
91.18281	0.4
98.20547	0.7
99.00732	0.4
101.02334	1.1
107.01247	0.4
107.04936	0.4
111.00781	0.7
113.02367	0.5
119.03429	0.4
121.02879	9.8
123.00780	1.1
125.02361	2.7
135.08139	0.5
137.02458	0.4
137.14589	0.4
147.08099	3.6
149.09630	0.8
151.00346	0.7
159.62466	0.4
161.04495	0.8
161.09621	0.5
163.11212	1.8
167.06143	2.5
168.00607	0.7
169.01364	3.0
171.08162	0.6
172.08876	0.4
174.51877	0.4
175.11200	0.8
177.12787	1.9
187.11253	4.4
188.08505	0.5
189.09180	1.5
190.09882	0.7
199.92609	0.4
203.10768	1.9
205.12323	61.5
206.12700	4.6
209.07162	2.1
211.02391	0.4
230.32776	0.4
264.95319	0.4
265.14517	0.5
266.13092	0.6
294.12479	0.5
296.14178	1.6
296.29910	0.4
306.12503	2.3
324.13660	0.5
325.18127	0.4
350.54913	0.6
368.12595	5.8
412.10956	3.3
412.60995	1.5
426.54993	0.5
427.19931	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27457	0.4
56.29021	0.3
59.01266	100.0
60.01591	0.7
66.08315	0.4
71.21412	0.5
71.21740	0.6
86.62636	0.4
130.90652	0.3
148.40689	0.4
275.36853	0.4
291.19736	3.1
292.20120	0.5
328.04956	0.4
349.55264	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60254	0.2
58.65641	0.2
59.01265	100.0
60.01591	1.1
61.98738	0.3
64.26632	0.2
69.35784	1.8
69.36185	0.3
71.01269	0.5
72.33337	0.2
73.02836	0.3
85.02843	0.2
89.02350	0.4
102.88995	0.2
113.02387	0.3
121.02874	39.1
122.03233	1.4
123.00818	0.2
125.02354	1.0
128.03441	0.2
147.08092	0.4
169.01373	0.9
187.11261	0.7
205.10558	0.4
205.12335	6.1
206.71085	0.2
265.44452	0.3
334.54736	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00479	1.5
59.01265	100.0
59.23348	0.6
60.01600	1.4
61.71254	0.6
62.81043	0.6
66.76216	0.5
70.21929	0.6
71.01270	25.9
71.01669	1.3
71.61736	0.7
72.99205	1.6
73.02817	1.2
75.00704	0.7
83.01282	1.4
85.02858	3.9
87.00785	2.6
89.02338	41.3
93.03390	0.7
95.01314	2.0
96.95922	1.0
101.02341	12.4
111.34515	0.6
113.02359	10.5
119.03421	12.5
125.02384	1.4
131.03438	2.0
143.03416	3.8
149.04538	1.8
158.52083	0.6
161.04506	6.9
169.01340	1.3
179.05571	13.6
187.11253	19.1
188.11688	1.0
205.12337	4.4
247.13446	0.8
300.99649	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98706	0.2
55.01774	4.4
57.03342	4.7
58.00482	3.2
59.01267	56.5
60.01603	0.7
61.98721	0.9
63.91833	0.2
67.01783	0.3
68.99719	0.4
69.03341	1.8
71.01272	77.5
71.59856	0.4
72.01613	1.4
72.99200	6.2
73.02837	23.7
73.88308	0.3
75.00744	1.3
75.52095	0.2
81.03359	0.9
83.01279	16.6
85.02844	33.5
85.99989	1.7
86.03188	0.7
86.28307	0.2
87.00766	4.4
89.02339	35.1
90.02684	0.6
93.03360	0.4
95.01288	3.7
96.80126	0.3
97.02850	3.7
99.00782	10.3
99.04411	0.3
101.02349	73.0
102.02669	1.3
103.03896	0.4
103.93899	0.3
107.01313	0.6
109.02888	0.5
111.00787	7.2
111.04462	0.3
113.02357	23.4
114.02670	0.7
115.03905	1.5
119.03463	1.5
121.02876	0.3
123.00776	0.6
123.04489	0.3
125.02370	5.8
127.03932	0.4
127.11206	0.6
128.01057	0.4
129.01871	1.8
129.12810	0.5
131.03433	24.0
132.03743	0.7
133.02843	0.3
137.02359	0.6
139.00256	0.4
139.03914	0.4
141.01874	0.8
143.03435	4.0
145.02902	0.4
149.04500	10.0
150.04845	0.4
159.02940	3.2
161.04503	16.1
162.04819	0.7
163.06149	0.3
168.00594	0.2
169.01384	1.0
173.04485	0.4
173.11699	0.3
187.06039	0.6
191.05569	1.4
197.04485	0.3
199.13387	0.7
201.14964	0.5
205.03546	0.9
215.05658	1.3
233.06667	5.8
234.07155	0.4
270.38004	0.2
273.17172	1.1
277.16620	13.5
278.16986	0.9
289.07257	0.3
291.18207	73.4
292.15494	0.3
292.18558	5.9
293.08936	1.2
300.99927	0.6
333.19385	0.2
335.17087	0.9
338.09961	0.2
348.11356	0.5
387.14789	0.3
423.22446	100.0
424.22797	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	423.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	4.5
57.03342	3.5
58.00484	1.4
59.01269	27.1
61.98716	0.9
68.99702	0.4
69.03354	1.4
69.46389	2.6
71.01272	51.8
72.01602	0.7
72.99201	2.7
73.02837	25.4
75.00778	1.4
81.03350	0.7
83.01282	11.6
85.02847	27.8
85.99522	0.3
85.99978	1.6
86.03194	0.7
87.00775	3.1
87.05761	0.3
89.02343	11.7
90.02662	0.5
93.03374	0.4
95.01282	3.8
97.02850	2.9
99.00784	10.4
99.04439	0.3
101.02349	53.3
102.02676	1.1
109.02837	0.4
111.00778	2.0
112.01563	0.3
113.02356	18.6
114.02731	0.4
115.03934	1.7
119.03419	1.1
123.04465	0.8
125.02383	4.6
127.03892	0.4
127.11201	0.5
129.01855	1.4
129.12772	0.4
131.03421	3.3
135.04362	0.4
137.02304	0.4
141.01843	0.4
143.03429	2.3
145.02907	0.5
149.04510	1.6
151.00330	0.4
151.04002	0.3
159.02943	3.1
161.02386	0.6
161.04506	14.8
162.04794	0.4
163.04048	0.4
169.01376	1.1
173.11702	0.4
191.05623	0.6
199.13379	1.0
205.03487	0.8
233.06693	2.5
245.08261	0.3
259.02774	0.4
271.02448	0.5
289.07248	0.7
291.18210	67.2
292.18549	5.5
293.08896	1.2
301.00061	0.5
335.17188	0.8
384.04163	0.3
423.22455	100.0
424.17029	0.7
424.22815	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	423.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30235	0.3
55.01771	5.2
57.03340	4.3
58.00486	1.6
59.01265	36.3
60.01607	0.6
61.98719	1.1
67.01770	0.4
68.99706	0.5
69.03342	2.0
71.01271	58.7
71.55937	0.7
72.01598	1.0
72.99195	2.5
73.02837	29.5
74.03188	0.4
75.00766	1.5
78.95776	0.4
79.01774	0.5
81.03368	0.7
83.00891	0.2
83.01277	14.7
85.02843	32.2
85.99992	1.9
86.03159	0.7
87.00773	4.3
89.02339	10.9
89.72729	0.3
95.01287	4.6
96.01723	0.4
97.02856	2.8
99.00782	13.1
99.04406	0.7
100.01132	0.4
101.02348	57.7
102.02686	1.1
107.01296	1.6
109.02846	0.5
111.00796	2.9
112.82030	0.3
113.02355	21.6
114.02713	0.4
115.03923	1.7
117.03358	0.8
119.04941	2.5
123.00790	3.1
125.02372	9.2
126.02687	0.8
127.03922	0.3
127.11203	0.9
129.01862	1.6
129.12773	0.5
131.03430	3.4
131.41476	0.4
137.02335	0.5
139.00266	0.7
140.01056	0.4
141.01874	0.5
143.03419	2.5
145.02919	2.2
146.03329	0.4
149.04489	1.3
151.00285	0.5
155.69566	0.4
159.02950	5.0
161.04497	19.6
162.04799	0.9
163.03957	2.3
166.99815	0.6
168.00577	1.0
169.01375	6.1
170.01706	0.5
173.04478	0.4
173.11787	0.6
180.36337	0.3
184.22951	0.4
191.05588	0.6
205.03503	1.5
225.15012	0.4
233.06700	3.2
261.07697	0.5
270.56189	0.8
273.55017	0.9
291.18210	76.9
292.18558	6.4
293.08829	1.0
300.99997	0.4
313.55069	0.4
335.17206	0.8
340.54901	0.4
346.56750	7.9
347.06952	3.5
347.12436	1.4
347.57077	1.4
347.62991	0.4
349.55267	0.6
363.23846	0.6
374.16476	0.3
422.57349	1.5
423.22443	100.0
424.22797	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	423.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51925	0.4
57.03337	0.9
58.00517	0.4
59.01266	100.0
59.96842	0.4
60.01606	1.1
71.01270	6.7
71.39352	0.5
72.99194	0.5
78.95810	0.5
85.02844	1.0
89.02335	9.6
95.01301	0.9
96.95917	3.5
96.96883	1.0
101.02364	3.4
109.02866	0.4
113.02352	3.5
119.03434	4.4
123.00862	0.4
123.04475	0.4
125.02380	4.0
131.03471	0.5
136.16260	0.3
137.02406	0.6
143.03459	1.1
145.02893	0.8
151.03831	0.4
153.01920	0.3
154.62115	0.3
159.75812	0.3
161.02440	0.7
161.04488	0.8
169.01410	1.0
173.02412	0.4
175.04065	0.5
177.01927	0.6
179.05591	4.1
189.01865	0.7
190.02766	0.6
202.02682	0.5
217.01430	0.6
217.05035	0.5
229.01376	0.6
231.03070	0.4
243.03030	0.6
245.01010	0.7
257.01221	0.4
261.04361	0.4
275.02167	0.9
300.99942	2.4
302.00311	0.4
307.08182	0.5
394.54300	0.6
423.07901	0.7
423.54639	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.5
59.01265	100.0
60.01606	1.1
64.63310	0.3
66.57084	0.3
69.73527	2.3
71.01269	0.6
71.04938	0.4
73.02847	1.2
80.20924	0.3
85.02856	1.8
87.04427	1.4
88.15643	0.3
89.26719	0.3
91.21153	0.3
95.04933	3.2
98.83808	0.3
99.04457	0.8
101.02356	0.3
103.03907	2.5
107.04948	0.6
109.02908	0.7
115.07598	0.6
121.06505	0.9
123.00842	0.7
123.08127	0.4
125.02389	0.9
127.07585	0.7
133.06566	0.7
135.04488	1.1
135.08107	0.5
139.00269	0.4
139.07553	0.7
147.08089	0.5
149.06042	0.4
151.00458	0.3
151.07600	2.4
157.08742	0.6
161.06055	0.8
161.68254	0.3
163.07649	1.3
165.09192	0.5
167.28464	0.3
168.00528	0.3
169.01433	1.6
173.06059	0.6
173.09720	0.4
175.07620	2.6
177.09180	0.6
180.07986	0.5
181.08781	0.4
187.07745	0.6
189.05556	2.9
189.09206	0.5
191.07124	0.5
191.95178	0.4
193.08701	0.3
199.07729	0.3
201.09276	0.4
205.08755	1.4
205.12386	0.4
207.10352	0.6
215.10811	1.9
217.08841	0.4
217.12427	0.3
219.10344	0.8
227.10774	1.0
229.12366	1.6
237.11382	0.6
239.10771	0.5
241.12418	0.9
245.11920	2.4
256.11203	0.9
257.11914	0.8
259.13504	1.1
267.13959	0.5
268.11011	0.8
271.17249	0.5
275.02051	0.6
275.13049	1.1
279.13989	1.8
283.17117	0.4
285.15088	0.6
286.12314	2.1
287.12799	0.4
297.15088	2.3
299.99185	0.4
301.00180	0.7
303.16168	0.4
309.15207	1.5
310.15500	0.4
315.16074	5.7
316.16446	0.5
327.16074	8.6
327.19739	0.6
328.16449	1.0
333.17172	5.9
345.17139	5.6
346.17468	0.6
363.18198	7.3
364.18845	0.7
387.09552	1.3
423.09586	1.5
423.20303	2.2
424.20837	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1802
Annotation	Isonymphaeol B
Peak:m/z	Relative Intensity
53.65025	2.7
56.43665	2.8
57.03331	6.5
59.01260	17.3
70.56748	6.3
70.57102	9.0
71.01273	5.8
71.43523	2.8
72.99189	3.7
75.00765	5.8
83.01290	3.4
85.02853	3.8
86.18623	3.4
95.01295	5.7
101.02373	3.3
107.01308	4.2
109.02862	7.9
111.00782	6.6
117.03387	4.8
118.15118	2.9
123.00803	9.1
123.04448	6.4
125.02375	46.0
133.02882	5.5
137.02362	6.9
139.00320	6.0
145.02907	9.3
149.02344	7.2
151.00316	3.8
151.03949	10.1
159.04483	3.7
161.02409	12.4
161.60443	3.7
163.00302	9.0
163.03961	7.3
164.01035	4.6
165.01917	5.9
166.99806	3.8
168.00681	5.3
169.01355	16.0
173.02397	10.7
175.04036	3.6
177.01862	5.3
185.02362	3.9
187.00304	3.4
189.01845	10.3
190.02693	7.7
191.03432	6.8
201.01932	7.0
203.03506	6.1
208.99149	5.5
212.60753	3.3
214.99802	6.0
216.00557	5.2
217.01395	9.5
219.02960	4.7
229.01379	12.3
245.00943	9.4
247.02455	5.0
257.01004	5.5
259.99716	4.3
261.04062	3.3
273.00360	9.3
274.00949	4.7
275.02048	23.1
276.02219	5.2
298.98169	4.1
299.99228	8.8
300.99960	53.0
302.00436	7.4
387.55237	5.6
394.54077	9.8
395.04120	3.8
395.54736	4.6
398.37552	3.1
408.53986	10.5
409.04211	4.9
409.54483	6.1
422.53629	6.5
423.04633	5.7
423.18036	100.0
423.54596	22.4
424.04330	7.3
424.18164	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	423.0943
Annotation	Hypericophenonoside
Peak:m/z	Relative Intensity
54.27232	0.3
55.01760	0.4
57.03341	0.7
59.01266	5.9
66.59196	0.3
67.01780	1.0
69.03341	1.3
69.35145	3.3
71.01273	6.8
71.45082	0.3
72.99207	0.5
73.02837	1.5
77.13747	0.3
79.01772	1.5
81.03340	0.8
83.01283	1.2
85.02838	4.8
87.00784	1.1
89.02335	0.9
95.01292	3.7
96.79271	0.4
96.99232	0.5
97.02856	1.4
99.00786	1.0
101.02334	3.0
107.01297	7.8
108.02087	7.7
109.02860	17.9
111.00786	3.4
113.02366	2.8
123.00799	21.3
123.04404	0.5
124.01591	1.3
125.02366	41.8
126.02692	0.8
127.00308	1.3
134.61937	0.3
135.04375	0.5
136.98740	2.2
137.02383	0.6
139.00285	4.9
140.01091	4.1
141.01892	3.2
144.04503	0.5
151.00305	10.9
151.03918	0.9
153.01848	0.9
161.02415	0.4
161.04472	1.2
162.20422	0.4
166.99744	0.4
168.00600	5.1
169.01376	51.9
170.01807	1.6
179.03470	0.7
191.03363	0.4
193.01294	0.4
203.03450	0.3
211.02527	0.7
223.02576	0.5
229.01428	0.5
241.03351	0.5
253.03514	1.1
261.95627	0.3
262.42670	0.4
284.84573	0.4
297.06201	0.7
300.99954	1.0
313.05722	8.5
363.16721	1.6
423.09415	100.0
424.09778	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	423.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19834	1.9
53.85991	1.7
59.01237	7.7
65.95957	1.7
69.88364	11.6
71.01261	3.9
79.95605	9.0
84.51560	1.7
89.02325	2.6
96.36055	2.1
98.19806	2.3
101.02330	4.0
102.18993	1.7
113.02312	2.0
119.04945	79.1
120.05264	3.1
125.02313	7.3
135.04428	10.3
139.00298	2.0
163.03952	42.3
169.01422	15.0
181.05022	14.8
199.00673	38.5
215.00177	16.8
242.99606	2.8
261.00790	12.7
331.06305	2.9
343.10382	5.8
423.06027	100.0
424.06454	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	423.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82597	0.5
59.01268	9.2
59.59350	0.5
64.73182	0.5
70.00725	2.9
71.01276	5.7
72.99222	1.5
73.28783	0.5
73.53281	0.5
75.00781	1.1
78.95805	5.8
79.95631	10.5
80.91590	1.1
80.96443	0.9
81.07780	0.5
83.01254	0.7
84.14388	0.5
85.02856	1.5
87.00794	2.0
89.02377	3.1
93.03365	2.5
95.01277	0.9
96.95919	3.4
96.96865	9.1
99.00790	0.9
100.39763	0.5
101.02362	2.4
106.16082	0.5
109.02840	0.8
111.00797	1.6
111.04466	0.5
113.02344	1.5
119.04947	100.0
120.05299	3.5
123.00822	0.8
123.04412	0.7
125.02378	1.2
135.04459	15.2
151.00392	0.9
163.03961	40.7
164.04312	1.8
173.04494	1.1
177.05431	0.6
178.99846	0.8
181.05042	17.0
182.05444	1.1
191.04024	0.5
191.05611	4.4
193.01514	0.5
199.00699	29.5
199.04147	2.1
200.00888	1.2
215.00189	16.3
216.00493	1.1
217.01573	1.0
217.05243	9.4
218.05666	0.6
221.23561	0.5
223.06073	1.2
233.04474	0.7
242.99698	4.1
243.02763	0.8
247.02428	0.7
259.06284	1.5
261.00781	10.6
271.02563	1.2
287.05789	1.5
289.03644	6.1
300.02689	0.7
303.01636	0.6
303.05167	0.9
319.08383	1.4
343.04431	1.7
343.10330	4.5
347.07956	1.0
361.05649	3.3
379.06754	4.1
391.06775	0.7
423.05930	94.9
424.06213	9.0
424.10886	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60671	1.4
54.51484	1.5
57.68293	1.4
59.01249	4.0
67.40469	1.4
72.43627	1.5
74.15377	1.7
98.19807	3.2
119.24995	1.3
135.22313	1.3
155.21384	1.8
163.11235	100.0
164.11555	4.9
166.28600	1.5
179.42494	1.4
188.05025	1.7
256.64279	1.5
286.88510	1.5
309.94980	1.7
339.23337	73.1
340.23663	13.0
394.50665	1.6
421.29892	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	422.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01273	37.0
61.68727	6.3
61.98712	14.9
64.98795	6.0
69.32308	43.7
69.32745	25.6
69.70159	5.8
74.68737	6.1
90.12245	7.3
96.95914	100.0
112.62070	6.8
116.19286	6.1
118.95400	5.9
121.91476	7.5
125.02399	7.6
126.02689	7.1
161.04466	11.9
169.01306	13.1
190.98178	6.9
356.36084	8.0
393.22998	10.8
422.10004	13.0
423.07352	16.1
423.24414	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1516
Annotation	Calealactone B
Peak:m/z	Relative Intensity
51.71855	0.2
55.01768	0.8
57.03325	0.3
58.00504	0.3
59.01264	100.0
60.01598	1.2
61.98726	0.3
62.19300	0.2
70.19395	1.2
71.01269	8.1
73.02830	2.6
83.01281	1.0
85.02843	3.1
87.00793	0.3
89.02364	0.9
91.45805	0.2
95.01297	0.6
98.19948	0.4
99.00800	1.3
101.02349	5.7
113.02351	2.9
125.02413	0.5
143.03424	0.4
159.02988	1.1
161.04504	7.1
162.04808	0.2
163.28485	0.2
169.01424	0.4
170.01860	0.2
179.10815	0.3
223.09729	1.3
344.50497	0.3
345.10980	0.3
358.02264	0.2
361.12909	2.7
362.13528	0.4
421.11438	0.5
421.24237	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1645
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
59.01030	2.4
59.01262	24.8
62.18453	2.4
69.56459	18.0
71.01272	4.0
86.79830	2.6
90.82281	2.2
98.19759	3.2
101.02348	4.3
108.46343	2.6
109.51886	2.4
125.02373	3.3
149.06100	2.8
161.04546	3.2
169.01337	4.7
189.01907	2.3
203.10716	3.7
231.10274	7.2
273.00510	2.5
275.02011	4.4
421.07816	5.0
421.16425	100.0
421.20694	4.4
422.16757	7.1
429.59991	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1645
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
57.03346	2.5
59.01266	15.6
65.06001	1.1
70.95081	1.3
70.95432	3.0
71.01265	6.6
73.02847	1.1
77.88435	1.2
82.88748	1.1
85.02849	2.6
85.95502	1.0
89.02349	1.7
92.54775	1.1
93.03350	1.3
95.01310	1.5
96.95893	1.5
101.02343	2.6
107.01347	1.1
108.02081	1.6
109.02887	1.8
121.02848	1.9
123.00774	2.3
123.52545	1.2
125.02394	9.7
133.02962	1.4
139.00273	1.4
145.02899	1.2
146.89230	1.2
149.02434	1.2
153.01875	1.6
163.00232	1.4
169.01346	4.8
177.01968	1.8
180.99614	4.0
187.00333	1.3
190.02599	2.2
201.02020	1.3
203.03581	1.5
207.01163	3.1
208.99171	6.9
215.12881	2.0
231.01152	2.7
249.02287	2.8
255.03104	1.9
259.06052	2.0
273.02603	2.0
275.02097	4.2
283.02597	2.8
299.98477	1.2
300.99982	5.5
317.01306	8.4
377.18222	20.7
378.18753	2.8
399.48523	1.4
404.04572	5.9
421.16418	100.0
422.16818	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	4.0
60.01599	0.3
61.98730	1.4
66.28486	0.3
67.01778	0.4
67.47555	0.2
68.99716	0.5
69.03335	0.5
70.33453	1.3
71.01271	0.5
79.01794	0.4
81.03357	2.2
83.01284	0.6
83.04921	0.3
85.02853	0.6
93.03332	0.7
95.01289	3.5
97.02845	1.1
101.02367	0.7
105.03367	0.9
107.01295	3.0
107.04899	0.5
108.72462	0.2
109.02862	1.1
111.00771	0.5
111.04432	0.6
113.02341	0.4
117.03382	0.3
121.02879	1.5
121.99989	0.3
123.00807	3.4
123.04460	0.5
124.01588	0.8
125.02369	8.6
126.02690	0.4
133.02872	0.6
135.04469	0.4
136.01578	0.6
137.02377	2.2
139.03894	0.3
141.01872	0.7
144.76509	0.3
147.04433	0.4
149.02402	1.4
149.99532	67.2
151.00336	10.8
151.03934	0.5
152.00751	0.4
161.02376	0.5
163.00337	0.6
163.03975	0.4
165.01910	1.6
169.01381	2.0
170.01753	0.5
175.00285	0.3
177.01843	0.9
179.03426	0.3
181.40593	0.3
193.01373	1.7
197.11867	0.3
198.12308	0.3
269.06619	0.5
269.30838	0.3
313.05725	100.0
314.06070	7.8
328.30814	0.3
331.06903	0.9
345.07309	0.3
345.10889	1.5
345.60849	0.4
421.11765	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83936	0.3
55.01781	0.4
58.00478	0.4
59.01266	26.2
61.74710	0.4
66.26674	0.4
67.01746	0.6
69.03342	0.6
71.00893	0.5
71.01273	6.7
71.58414	0.6
72.99180	0.4
73.02833	1.8
78.67281	0.4
79.01766	0.9
83.01286	1.0
85.02834	2.8
87.00778	0.7
89.02354	2.1
93.03365	1.1
95.01260	1.9
97.02831	0.9
99.00761	1.1
101.02353	4.6
107.01292	6.4
107.01965	0.7
107.04939	28.7
108.05271	1.2
109.02836	2.0
111.00796	2.4
113.02373	3.0
119.03358	0.5
121.02876	0.8
123.00806	13.6
124.01621	1.0
125.02374	33.9
126.02688	0.8
127.00317	0.9
135.00819	0.5
136.98714	1.2
137.02361	1.0
139.00310	5.1
140.01112	3.1
141.01848	1.9
145.02898	0.4
149.02373	0.7
150.99129	0.6
151.00319	9.5
153.01923	0.6
161.04488	1.4
163.00423	0.5
163.03999	0.6
164.01013	0.5
166.99803	0.6
167.03453	0.5
168.00612	3.8
169.01390	48.2
169.42352	0.4
170.01741	2.2
179.03455	0.7
179.84113	0.4
181.05077	0.9
193.01466	0.6
195.06667	0.5
211.02496	1.0
214.06435	0.5
215.07172	2.1
223.02866	0.4
240.04228	0.4
253.03624	0.7
258.05438	0.6
289.16632	0.4
313.05725	10.0
314.06128	0.6
345.59543	0.5
357.41946	0.4
361.18756	7.5
407.06027	0.5
421.11520	100.0
422.11823	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	419.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62618	0.3
59.01266	100.0
60.01606	1.1
71.01267	1.9
71.57970	0.5
74.06306	0.3
85.02829	0.4
89.02345	2.6
97.06504	1.4
99.08080	0.4
101.02355	1.4
113.02380	1.3
119.03439	1.3
125.02365	0.4
134.72665	0.3
151.11331	0.4
153.12798	18.5
154.13133	0.9
161.04553	0.4
169.01367	0.3
170.75223	0.3
179.05556	1.0
179.10733	5.6
180.11020	0.4
197.11818	38.8
198.12157	2.5
218.48322	0.3
359.17130	0.5
419.23035	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.0
57.03333	0.9
59.01263	4.1
65.00212	0.5
66.91522	0.3
67.01761	1.4
68.99696	0.5
69.03333	0.6
69.77013	0.8
69.77438	1.4
71.01270	5.1
72.99182	0.6
73.02834	1.8
79.01759	1.6
79.35837	0.3
82.00491	0.4
83.01281	2.1
85.02847	4.4
86.00030	0.4
87.00754	0.4
95.01294	3.2
97.02859	1.2
99.00751	0.9
101.02356	4.4
103.89673	0.3
107.01304	5.3
110.00043	0.6
111.00797	3.5
113.02362	1.9
114.87951	0.4
123.00802	24.2
124.01573	1.5
125.02368	23.5
126.02696	0.8
127.00303	1.6
136.98726	2.3
139.00301	7.4
140.01083	5.6
141.01868	3.7
151.00316	16.2
151.03822	0.4
153.01855	1.1
166.99768	0.5
168.00613	5.9
169.01378	26.3
170.01726	1.1
179.03317	0.5
181.05086	0.4
211.02310	0.4
223.02408	0.4
253.03564	0.4
269.04938	0.7
313.05731	1.8
330.71283	0.3
345.05576	1.1
421.11508	100.0
422.11801	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	419.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	20.7
61.98694	0.6
65.61796	0.5
69.57375	4.9
71.01267	4.1
72.00728	0.5
72.99187	1.0
73.02838	0.7
85.02867	0.7
89.02333	3.8
95.01279	1.4
97.02859	0.7
101.02344	2.5
107.01283	1.8
108.02110	5.4
109.02912	2.6
111.00801	1.3
111.08003	0.8
113.02376	1.7
117.03337	0.6
119.03429	0.8
119.04949	1.2
121.02861	0.9
123.00809	2.0
123.04507	0.6
124.01595	1.4
125.02378	8.8
135.04405	0.9
136.01657	1.1
137.02374	10.2
138.03131	0.7
139.00322	2.2
139.03943	1.0
140.01050	0.8
145.02876	4.9
147.04437	5.2
149.02252	0.5
150.03255	0.7
151.00307	0.9
151.03957	8.3
152.01102	2.9
152.04802	1.3
153.01891	2.3
153.12737	1.3
158.03642	0.7
159.04475	0.8
161.02400	1.1
161.04593	0.8
161.05991	1.4
162.03160	1.2
163.00349	0.9
163.03967	8.5
164.04620	1.0
165.01923	1.5
166.02637	1.4
166.06340	1.2
166.99887	0.8
167.03473	1.1
167.06999	0.8
168.00629	1.3
169.01393	7.1
171.91403	0.5
173.02417	2.4
173.06033	0.6
174.03191	5.4
174.92885	0.6
175.03967	28.9
176.04730	8.7
177.05531	3.3
178.02661	0.8
179.03453	1.9
179.10628	0.7
180.04254	11.4
181.04935	2.0
184.03696	0.7
188.04803	5.6
189.05539	9.5
190.06331	28.0
191.03468	1.2
191.07106	22.3
192.04260	1.8
192.07434	1.3
193.05026	13.2
194.05807	10.3
195.06253	0.7
197.06116	2.1
197.11813	8.8
198.12048	0.8
203.07076	3.6
204.07660	0.7
205.08694	22.3
206.05951	1.3
206.09029	1.3
207.06615	10.7
208.07382	9.5
209.04698	0.8
217.01231	0.7
222.09138	0.6
223.09805	1.4
241.03477	0.8
257.04514	1.3
257.17642	1.5
301.00092	1.0
328.09705	0.8
329.10464	0.7
335.09641	2.2
343.59616	0.8
344.10150	12.4
359.11435	1.4
374.13748	2.2
389.16177	100.0
390.16476	11.5
391.91156	0.6
404.15085	0.7
419.09958	3.4
419.22992	4.6
420.10403	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	419.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.4
59.01266	8.3
71.01275	2.0
71.18171	0.8
71.56850	0.9
71.57217	1.0
72.99202	3.3
75.00754	1.6
81.03334	1.2
83.01294	2.1
85.02842	0.9
87.00775	1.5
89.02350	1.1
95.01285	2.2
95.55396	0.8
97.02851	1.9
99.00778	1.5
109.02862	7.2
111.00788	1.8
121.02886	1.3
123.00817	2.0
123.04437	3.8
124.01572	4.5
125.02365	14.6
126.47810	0.9
130.35362	0.9
130.59262	0.8
135.04430	1.2
137.02386	6.9
138.03122	1.2
139.00294	1.1
139.03928	5.5
145.02898	3.9
147.06578	14.6
149.02411	1.6
151.00299	3.0
151.03944	3.5
153.00067	1.7
153.05513	1.6
159.04420	1.8
161.02383	2.3
161.06059	2.1
163.00372	1.0
163.03908	1.4
164.01083	1.1
165.01897	1.3
166.99796	0.9
169.01376	2.6
173.02431	1.0
174.03162	1.9
175.03981	4.3
177.01872	1.0
177.05530	1.3
178.65060	0.8
178.99750	2.0
179.03450	2.8
180.99597	0.9
185.06166	1.0
187.03969	2.3
189.05580	2.4
191.03488	1.1
191.07141	1.0
197.04547	2.4
202.06393	0.9
203.03517	1.5
203.07173	3.5
205.05084	3.2
206.05869	2.2
207.06636	1.3
221.08218	3.8
227.07146	1.1
240.83919	0.9
245.08197	4.6
247.02429	1.3
251.09366	1.0
253.05029	2.2
255.06735	1.4
269.04739	1.0
271.02509	1.8
271.06180	5.3
273.00436	1.2
273.07858	1.4
280.03922	1.3
281.04684	3.6
282.05209	0.9
283.06238	2.4
284.06900	1.2
285.04187	1.1
285.07642	1.7
289.07263	25.4
290.07516	1.5
294.05328	0.9
297.04303	1.1
298.04913	3.9
299.05557	1.6
299.99509	1.1
300.03027	1.5
300.06400	1.2
300.99921	1.7
301.07208	2.7
311.05704	3.0
312.06421	3.5
313.07224	15.5
314.07547	2.1
315.08847	1.2
326.08145	3.1
327.08817	13.3
328.05930	1.9
328.09326	1.7
329.06760	7.8
329.10440	2.9
330.07028	1.0
333.00818	15.3
340.10751	0.8
341.10519	1.0
343.08301	10.8
343.11975	1.9
344.09018	14.7
345.09406	1.2
345.40137	0.9
347.07767	1.6
358.10648	32.8
359.11432	51.4
360.11795	5.6
370.73547	0.8
373.12997	51.0
374.13248	5.6
389.12485	13.8
390.13019	1.9
396.55707	1.0
401.12494	1.1
402.13126	1.6
404.14865	51.6
405.15015	5.3
409.54623	1.5
410.05106	1.2
419.17264	100.0
420.04227	2.8
420.17508	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	419.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	15.2
59.01266	14.9
69.03352	2.2
69.51646	1.7
69.52057	8.9
71.01273	8.0
81.03387	2.4
83.01280	10.1
85.02882	2.3
89.02347	3.6
93.03345	2.9
95.01303	1.8
95.04924	2.5
96.95937	1.4
97.02849	2.7
98.19864	1.7
101.02391	3.5
107.01260	1.7
109.02869	10.3
111.00807	5.3
113.02369	1.8
117.03384	1.8
119.03397	1.9
121.02885	1.8
123.04434	1.9
125.02377	100.0
126.02694	3.6
135.04430	3.0
137.02380	81.1
138.02705	2.5
143.04965	1.4
145.02884	24.8
146.03648	3.7
147.04475	6.2
149.02377	11.1
150.03197	12.7
150.12296	1.4
151.59837	1.2
157.06532	1.9
159.04448	16.2
161.02397	5.5
161.04793	1.6
161.06053	9.5
164.01106	3.8
165.01900	5.0
169.01366	1.6
175.03981	1.5
181.06616	1.8
183.04497	4.0
183.08174	1.5
185.06078	9.7
186.06828	1.4
187.03970	7.2
195.17525	1.7
199.07704	1.3
201.05586	4.4
201.09157	2.3
202.06345	1.4
203.07130	6.8
204.29668	1.2
209.06010	2.7
211.04005	2.5
211.07660	1.3
213.01941	2.1
225.09267	1.8
227.03543	1.9
227.07126	5.7
229.05035	2.9
230.02161	2.7
235.07619	2.2
239.07207	3.6
239.16475	2.9
241.05038	4.9
245.08017	1.6
251.07124	3.1
253.05136	14.3
253.08745	4.1
254.05502	2.7
257.15488	4.7
266.63467	1.4
267.04926	2.6
269.08276	21.6
270.08521	2.2
271.06174	35.2
272.06519	3.1
281.08231	5.4
295.06107	1.7
315.10254	3.8
317.08301	2.3
333.11386	3.9
357.11514	1.9
375.12411	8.4
401.10443	7.8
419.11508	9.4
419.21439	2.2
419.28430	2.1
442.56540	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.8
57.28446	0.4
59.01268	5.7
61.98709	1.0
66.82951	0.4
67.47680	0.4
69.03327	0.8
71.01268	1.7
71.58442	0.4
71.58869	0.5
73.87974	0.4
81.03337	1.1
83.01261	1.2
87.00774	0.5
89.02322	0.7
91.01791	0.7
93.03364	15.7
95.01302	0.9
95.04939	2.1
96.95901	0.5
97.02855	10.3
99.00775	0.4
101.02377	1.2
105.03383	0.7
107.00176	0.4
107.01318	0.4
107.04930	1.5
109.02878	2.5
111.00816	0.6
113.02341	0.8
117.02553	0.6
117.03383	8.4
119.04175	0.7
119.04948	9.1
121.02868	1.6
122.03654	0.6
123.00800	1.4
123.04469	3.2
125.02365	4.0
133.02890	3.1
134.03648	1.8
135.00784	1.4
135.04454	3.5
137.02377	5.7
138.03104	1.4
139.00282	0.8
139.03920	1.8
143.04959	1.4
145.02896	35.5
146.03261	1.7
147.04460	4.4
148.01563	0.9
149.02435	2.0
149.06003	0.4
157.06502	0.5
159.04501	0.6
161.02414	1.9
161.04482	1.0
161.06004	0.9
162.03174	1.9
163.00346	0.8
163.03951	2.4
164.01093	0.6
165.01897	12.6
166.02670	1.0
167.03510	0.4
169.01443	3.2
169.06554	1.0
171.04439	1.9
172.05397	0.5
175.03940	0.5
176.01096	2.3
177.01878	5.7
185.06012	1.0
186.06848	0.9
187.03967	0.9
187.07649	3.4
187.98920	0.4
189.01906	26.5
189.05487	3.7
190.02690	42.1
191.03435	12.9
192.03935	0.6
197.06183	0.6
199.07628	0.6
201.01933	1.6
203.03436	2.6
204.74059	0.4
205.08685	2.8
209.06012	0.5
211.07664	1.4
213.05484	0.7
213.09082	0.5
214.06157	0.5
215.03481	1.2
215.06856	0.5
216.00714	3.1
217.01433	3.8
218.02220	13.2
219.02945	4.4
227.07222	0.6
229.01419	0.4
229.08699	3.4
231.03015	3.2
231.06525	0.9
232.03299	0.7
237.09111	0.8
239.07120	0.7
240.04321	1.3
241.05136	4.6
242.14728	0.5
243.06691	1.0
253.08777	2.0
255.06683	7.3
256.07144	0.6
257.17667	0.7
265.05042	0.6
271.06091	0.7
273.07758	30.7
274.08063	2.4
279.06674	1.0
281.08319	1.6
283.06223	4.4
285.07605	2.1
297.07761	1.9
299.05655	0.9
301.00006	1.4
307.06146	4.9
325.07245	100.0
326.07571	10.0
359.09320	1.2
365.90396	0.5
375.12299	0.5
397.08618	2.5
401.10193	0.6
419.11478	35.8
420.11874	5.3
424.40802	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2504
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
50.00673	0.5
55.01770	1.7
57.03335	3.7
58.00482	4.2
59.01265	100.0
60.01600	1.1
61.98708	0.6
69.03326	1.0
71.01272	86.0
71.59947	0.6
71.60367	0.8
72.01610	1.0
72.99197	6.3
73.02837	10.3
75.00774	0.7
81.03376	0.6
83.01279	6.5
85.02844	22.3
87.00779	4.9
87.04430	1.4
89.02341	68.1
90.02689	0.6
95.01283	6.8
97.02847	1.1
99.00774	3.9
101.02350	51.7
102.02682	1.2
109.02879	0.7
109.39890	0.4
111.00789	0.6
113.02357	34.5
114.02735	0.7
115.03867	0.9
119.03419	31.3
125.02357	3.3
129.01846	0.6
131.03471	2.5
137.02408	0.6
137.09648	1.6
139.00346	0.7
141.41069	0.5
143.03430	7.6
145.02928	0.7
149.04520	2.9
151.00337	0.7
159.02928	2.5
161.04518	20.5
162.04866	1.1
169.01378	0.9
177.01974	1.1
179.05595	12.9
181.04988	0.5
196.65608	0.4
201.32660	0.5
205.03505	0.9
211.07654	0.5
219.99007	0.6
229.05110	0.9
237.15073	1.1
253.18166	1.3
255.06657	3.1
255.16216	2.9
255.19681	10.7
289.07303	0.9
289.82330	0.5
301.03799	0.9
323.05597	0.5
345.05951	2.3
348.12387	0.5
389.08981	0.7
417.12302	2.0
417.25220	64.8
418.21277	0.7
418.25626	7.7
431.77783	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33382	0.4
55.01772	1.6
57.03339	2.2
58.00500	0.6
59.01265	100.0
60.01600	1.4
61.98721	0.6
71.01270	32.3
71.56728	0.5
71.57112	0.6
72.01617	0.7
72.99205	1.3
73.02836	9.8
75.00779	2.5
83.01272	4.0
85.02843	14.2
87.00806	1.3
89.02345	7.7
89.87967	0.4
95.01278	2.8
97.02875	1.5
99.00793	5.9
101.02344	22.7
106.13274	0.4
107.38481	0.4
109.02907	0.5
111.08069	1.6
111.29278	0.4
113.02358	14.6
113.18684	0.4
118.87424	0.4
119.03445	2.1
121.02891	0.6
123.00842	0.8
125.02413	2.5
127.00321	0.4
129.01855	1.0
135.03064	0.4
136.40143	0.5
136.99260	0.4
137.02377	0.5
139.00327	0.8
139.07574	17.4
140.07944	0.8
143.03461	2.7
143.08456	0.4
159.02948	4.3
161.04504	50.9
162.04845	1.6
162.26305	0.4
165.09180	1.0
173.02551	0.6
179.05600	0.7
181.05075	0.7
193.01526	0.4
195.10275	4.6
205.03558	2.5
214.85109	0.4
217.01530	0.5
225.04105	0.6
255.02931	0.5
255.08984	1.0
255.12254	0.5
273.00616	0.6
289.07236	0.4
301.00043	0.9
311.08862	0.5
357.15616	31.9
358.15887	3.1
417.17877	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	417.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37364	0.8
54.70756	0.8
59.01266	8.8
70.04647	4.7
71.01257	4.2
72.85649	0.8
72.99185	0.9
73.02831	2.1
75.00758	2.0
83.01274	1.2
85.02840	3.3
89.02335	2.6
95.01318	1.6
96.02226	0.8
101.02334	2.9
101.03810	0.9
107.01257	0.9
108.02113	0.9
111.00792	1.5
113.02342	2.7
113.74875	0.9
114.28190	0.9
119.03378	1.0
123.00798	24.5
123.04494	1.1
125.02365	5.4
129.01872	1.0
133.02873	2.4
136.01564	1.4
137.02400	1.9
139.00275	2.0
140.01083	1.1
141.01823	1.3
145.02921	1.2
147.00810	1.3
148.01550	1.8
151.00284	3.7
152.00938	0.8
153.01846	2.4
161.02438	1.8
161.04489	2.8
163.00310	0.9
163.03917	2.1
164.01088	2.7
165.01877	2.2
166.02657	1.3
167.03436	1.4
169.00122	0.9
169.01370	4.2
173.02397	1.1
175.00291	1.8
176.01067	1.8
177.01871	3.6
179.03419	3.9
189.01913	1.3
190.99887	1.6
191.03517	1.6
192.00636	12.7
193.01411	19.4
194.01820	1.6
196.03656	4.9
201.01993	1.4
205.01448	1.1
206.02148	1.7
207.02985	46.5
208.03746	25.6
209.04233	1.3
211.06067	1.9
219.03024	1.0
221.04581	2.5
222.05284	3.6
223.06129	44.8
224.03264	6.5
224.06491	3.8
225.04094	2.7
229.01335	1.2
239.05630	100.0
240.06078	7.6
241.07085	1.9
253.07195	8.6
254.07993	65.7
255.08672	13.6
275.01987	2.2
280.06155	1.1
295.08386	1.1
300.99948	3.0
417.14038	15.5
418.13507	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.9
57.03319	0.5
58.60015	0.2
59.01264	3.5
61.98709	0.7
67.01768	1.1
69.03337	0.6
69.51589	0.9
69.52013	1.3
71.01273	5.1
72.99182	1.4
73.02822	1.8
75.00764	0.3
79.01772	1.0
81.72485	0.3
83.01280	1.8
85.02840	2.9
87.00758	0.6
89.02335	0.5
93.03345	0.8
95.01279	2.1
96.95924	0.3
97.02834	0.8
98.01888	0.3
98.20515	0.6
99.00758	1.0
101.02342	3.8
103.07558	0.3
107.01279	3.4
109.02820	0.4
109.99937	0.4
111.00775	2.6
113.02362	2.3
119.04868	0.3
121.02895	0.9
123.00800	17.7
123.04431	0.4
124.01705	0.5
125.02370	14.9
126.02719	0.5
127.00284	1.2
128.03368	0.3
136.98720	1.4
137.02373	1.1
139.00296	5.7
140.01094	4.8
141.01859	2.6
145.02956	0.6
151.00304	13.7
151.03873	0.4
153.01837	1.0
154.99809	0.6
161.04475	0.7
163.03952	0.8
165.01854	0.4
165.05467	0.3
166.06311	2.6
168.00597	5.3
169.01379	21.3
170.01694	1.0
173.04521	1.1
177.01915	0.3
179.03409	0.6
181.05067	0.6
181.08643	2.5
189.01926	0.3
191.05559	0.7
211.02478	0.6
253.03564	0.5
271.04663	0.5
284.62589	0.3
309.98227	0.3
313.05783	1.3
417.14105	100.0
418.14505	11.8
420.53705	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.7
59.01265	33.6
63.96971	0.8
67.01777	1.3
67.65887	0.7
70.87623	1.9
71.01270	8.7
72.99200	2.8
73.02833	2.6
75.00768	4.7
83.01267	1.9
85.02834	3.0
87.00786	1.3
89.02325	2.3
93.03349	1.4
95.01284	2.6
99.00761	1.4
101.02344	6.4
113.02354	4.4
119.04950	1.0
121.02876	3.7
123.00800	3.8
125.02364	3.5
133.02829	1.3
137.02338	2.4
138.03174	2.8
139.00319	0.8
140.00958	0.8
145.02829	1.8
149.02393	7.2
151.00301	1.3
153.05515	1.4
161.02435	1.3
161.04478	10.9
163.00313	1.8
165.01907	2.0
165.09195	1.0
166.02673	13.2
166.99774	1.1
167.03127	0.9
169.01381	3.3
175.03951	1.1
177.01927	1.0
181.05032	55.8
182.05315	2.3
189.01871	1.2
191.03526	1.6
192.00554	1.3
193.01392	2.7
196.07433	12.4
197.07761	1.0
203.03593	1.1
205.01514	1.1
207.02962	2.5
208.03659	1.3
211.09703	0.9
217.01454	1.7
222.05443	1.9
223.05994	1.6
224.03262	1.7
225.04050	51.3
226.04343	2.8
229.01413	1.3
233.08049	0.8
237.07761	1.4
239.05724	0.9
240.06432	61.1
241.06778	2.5
243.12521	1.2
245.00960	2.0
247.02495	2.1
255.08784	100.0
256.09219	6.6
273.00406	2.9
289.07297	1.2
299.99231	1.2
300.99988	3.7
301.03159	0.9
357.15665	7.2
384.54138	0.9
417.13644	6.4
439.81454	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10866	0.1
59.01266	1.0
63.02284	1.6
65.00208	3.7
66.00523	0.2
67.01763	0.3
68.99699	0.5
69.03315	0.1
69.54122	0.1
69.54524	0.5
70.22214	0.1
71.01272	0.6
74.44527	0.1
75.00745	0.1
79.01742	0.1
81.03379	0.1
83.01277	3.9
84.01576	0.1
84.13768	0.1
85.02830	0.1
89.02325	0.2
93.03368	0.2
95.01292	0.3
97.02833	0.1
101.02353	0.3
101.03838	0.1
105.03380	0.1
107.01295	5.9
108.02135	0.8
109.02850	0.3
113.02338	0.2
115.05440	0.3
117.03382	0.3
117.07011	0.1
119.03419	0.1
119.04942	0.1
120.02061	0.1
121.02858	0.2
123.00777	0.4
124.01575	0.2
125.02381	0.7
127.05453	0.2
130.04167	0.2
131.01289	0.4
133.02917	0.6
135.00821	0.2
136.01593	0.7
137.02374	0.3
137.74826	0.1
141.07059	0.6
143.04942	0.2
145.02922	0.1
145.06532	4.0
146.06940	0.1
147.04404	0.1
148.01573	0.1
149.02333	0.2
151.00317	9.2
152.00667	0.4
152.06065	0.1
155.08603	0.2
157.06535	0.2
163.00346	0.1
164.01096	1.4
165.01862	0.3
165.05629	0.1
165.07100	0.1
166.02626	0.1
167.08617	0.2
168.05626	0.1
169.01366	0.8
169.06558	2.3
170.06877	0.1
171.04486	4.9
172.05240	1.2
173.06044	1.0
174.06326	0.1
175.00337	0.7
177.01927	0.6
181.04932	0.1
181.06503	0.1
183.08119	1.0
184.08603	0.1
185.06044	1.1
187.07643	1.9
188.01160	0.1
188.07990	0.1
193.01273	0.2
193.06549	0.3
195.08218	0.1
196.00180	0.1
207.08064	0.1
209.06146	0.1
211.07646	5.5
212.08014	0.4
213.05573	6.4
214.05965	0.4
223.07587	0.2
225.05585	0.3
225.09140	0.1
226.06140	0.1
227.07143	0.5
239.07207	0.7
241.08699	0.3
251.07228	0.3
254.05936	0.3
255.06662	100.0
256.06998	8.1
267.06647	0.4
268.07449	0.1
269.08237	1.4
270.08606	0.1
277.08917	0.2
279.06683	6.6
280.06979	0.7
297.07745	4.6
298.07944	0.5
309.07837	1.0
310.08261	0.1
321.07687	0.4
327.08801	0.2
334.81024	0.1
339.08862	0.1
345.06271	0.1
357.09851	0.2
399.10880	0.1
409.48935	0.1
417.12000	3.1
417.20026	0.1
417.25238	0.1
418.12476	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.12
Annotation	Pinocembrin 5-O-glucoside
Peak:m/z	Relative Intensity
57.03315	0.1
59.01263	1.0
63.01979	0.1
63.02278	1.8
65.00204	4.1
67.01753	0.3
68.99681	0.3
69.49394	0.1
69.49802	0.5
71.01276	0.7
75.00746	0.2
81.03342	0.2
83.01278	3.5
85.02839	0.1
85.52650	0.1
89.02316	0.3
91.01772	0.1
93.03365	0.2
95.01275	0.2
97.02837	0.2
101.02325	0.3
101.03878	0.1
103.01776	0.1
107.01292	5.4
108.02126	0.9
109.02840	0.3
113.02340	0.2
113.52489	0.1
115.05413	0.1
117.03364	0.2
117.06987	0.1
119.03385	0.1
120.02110	0.1
121.02844	0.2
123.00761	0.3
123.04395	0.1
124.01534	0.1
125.02365	0.8
127.05450	0.2
130.04169	0.2
131.01273	0.3
133.02890	0.5
135.00778	0.2
136.01598	0.7
137.02379	0.5
141.07047	0.6
143.04968	0.2
145.02849	0.1
145.06526	4.2
146.06827	0.2
147.04510	0.1
149.02347	0.2
149.14359	0.1
151.00307	10.0
152.00697	0.3
155.08557	0.2
157.06532	0.1
161.04453	0.1
163.00362	0.1
164.01117	1.4
165.01843	0.3
165.07018	0.1
166.02675	0.1
167.08594	0.3
169.01384	0.7
169.06537	2.1
170.06892	0.1
171.04468	5.1
172.05257	1.3
173.06021	1.1
175.00320	0.7
177.01897	0.7
181.04918	0.1
181.06450	0.1
183.08125	1.1
184.08507	0.1
185.06053	1.0
186.03172	0.1
187.07623	2.0
188.01172	0.1
188.07904	0.2
193.01331	0.1
193.06534	0.3
195.08266	0.1
196.00075	0.1
196.05211	0.1
201.01625	0.1
211.07626	5.8
212.07994	0.4
213.05560	6.1
214.05905	0.5
223.07582	0.1
225.05582	0.4
225.09291	0.1
226.06430	0.1
227.07045	0.6
235.07588	0.1
237.05608	0.1
239.07149	0.5
240.07571	0.1
241.08749	0.2
251.07149	0.4
253.08485	0.1
254.05887	0.2
255.06664	100.0
256.07001	8.3
267.06592	0.3
268.07635	0.1
269.08228	1.5
270.08496	0.1
277.08704	0.3
279.06677	6.9
280.07016	0.6
281.08298	0.1
297.07748	4.6
298.08121	0.4
309.07697	1.0
310.08054	0.2
321.07581	0.2
327.08899	0.1
345.06052	0.1
357.09979	0.2
399.11078	0.3
417.12033	3.3
417.20157	0.1
417.25150	0.1
418.12247	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59839	5.5
57.03331	8.0
57.20103	5.3
59.01264	100.0
66.50900	6.5
70.05749	7.3
70.06040	32.0
71.01279	58.8
72.99210	8.1
73.02841	6.2
78.93288	5.7
78.95808	11.2
85.02841	24.3
89.02341	74.3
101.02355	31.3
113.02362	22.2
119.03429	28.8
125.02386	16.8
135.04451	9.8
137.02448	8.6
137.09650	8.3
143.03412	10.6
145.05589	6.2
168.87206	6.3
179.05563	25.6
231.04185	6.3
235.09868	7.3
265.10938	6.8
325.12820	10.2
415.19678	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26892	0.6
55.92037	0.6
59.01265	4.8
60.54000	0.6
69.37580	6.8
71.01267	0.7
73.93889	0.6
74.98981	6.2
77.00553	80.8
78.00903	1.0
87.35399	0.6
89.02316	1.0
105.59284	0.6
117.09507	0.6
147.08107	1.5
149.09641	0.8
154.83934	0.6
163.11185	2.4
187.11230	2.5
211.01823	0.6
215.68806	0.6
275.75888	0.6
279.13803	0.7
280.14648	1.4
282.46967	0.8
290.77591	0.6
309.22363	2.0
337.21793	100.0
338.18298	1.2
338.22162	14.9
340.16080	0.7
355.12793	1.0
355.26685	0.9
415.23282	19.6
415.28610	3.5
416.23410	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.3
61.98708	0.5
65.00204	0.5
71.01260	0.7
71.01871	1.1
85.02903	0.3
91.01752	0.7
93.80664	0.3
95.01253	0.6
101.02336	0.6
108.02052	1.0
113.85108	0.3
119.01345	0.6
119.03429	0.5
125.02405	0.6
136.01601	2.2
145.03056	0.4
145.68396	0.3
149.02370	0.4
161.02361	1.4
163.00322	15.6
164.00970	1.5
169.01369	0.4
176.01080	0.4
176.04778	1.0
177.01846	1.1
178.02779	0.4
179.03479	1.9
179.42764	0.4
189.01917	4.9
190.02478	0.4
190.99828	100.0
191.07089	0.9
192.00597	76.6
193.01071	4.4
193.05028	0.5
194.05818	2.4
205.01389	1.0
206.02193	50.3
207.02962	42.9
208.03262	2.5
209.08185	16.1
210.08517	0.8
216.00610	0.4
217.01442	1.4
221.04480	0.3
253.05019	0.4
299.99261	1.1
341.05957	0.4
355.08313	0.9
356.09164	0.4
368.05527	0.5
383.07800	1.4
384.08252	0.4
385.09329	0.8
415.10480	21.7
416.10928	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	415.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	1.0
57.03338	1.2
59.01265	3.0
66.34267	0.6
67.01772	1.1
69.03331	0.9
70.35405	0.6
71.01279	6.3
71.04919	1.2
72.77823	0.7
72.99198	1.2
73.02838	1.7
75.00768	0.8
79.01789	1.4
81.84885	0.7
83.01288	2.5
83.04938	1.4
85.02845	4.3
87.00711	0.9
89.02359	0.7
95.01301	2.3
97.02848	1.2
99.00764	1.8
101.02353	4.4
101.06000	2.7
107.01311	4.8
111.00801	3.6
113.02379	2.0
123.00808	23.7
124.01589	2.1
125.02374	25.1
126.02673	1.0
127.00317	1.3
129.01851	0.8
136.98740	1.9
139.00337	8.1
140.01105	5.2
141.01848	3.4
151.00316	18.4
153.01877	0.9
166.99896	0.9
168.00575	6.0
169.01396	37.6
169.50685	0.8
170.01726	1.8
177.04013	3.1
211.02457	2.6
257.03003	0.8
264.65408	1.0
271.04660	1.9
313.05716	1.0
329.05219	0.8
415.12564	100.0
416.12854	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	415.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	4.5
57.03335	3.9
58.00488	2.0
59.01266	31.7
60.01600	0.4
61.98722	0.4
62.47839	0.2
67.01778	0.3
68.99722	0.4
69.03339	1.6
69.34165	1.5
69.34584	0.4
71.01272	66.6
72.01612	1.0
72.99206	3.2
73.02840	27.4
74.03201	0.4
75.00767	1.4
81.03355	1.1
83.01279	21.3
84.01627	0.3
84.02077	0.3
85.02847	35.9
85.99998	0.9
86.03190	0.8
87.00774	2.9
87.04430	0.4
89.02342	8.4
95.01289	4.8
97.02848	3.4
99.00785	10.6
99.04447	0.2
101.02350	63.0
102.02664	1.3
103.03914	5.4
107.04945	0.4
108.02093	0.6
109.02870	0.8
111.00793	1.0
113.02361	25.6
114.02718	0.8
115.03927	0.6
117.01793	0.2
119.03415	2.8
120.90794	0.2
123.00808	1.0
125.02374	7.2
125.81433	0.2
127.03947	0.9
129.01874	1.3
131.03455	0.7
135.04381	0.2
137.02406	0.4
139.00339	0.4
140.01187	0.2
141.01888	0.3
143.03430	4.4
145.01466	0.3
145.04985	1.4
149.05975	0.3
151.00331	0.5
151.04034	0.3
152.01064	0.4
153.01855	0.2
158.30653	0.2
159.01634	0.3
159.02951	6.5
161.04507	49.1
162.04863	1.5
163.06073	3.0
166.99721	0.2
169.01376	1.0
187.06036	0.4
191.03925	0.2
205.03506	3.2
205.07106	0.5
221.06624	0.2
229.07245	2.1
247.08292	3.5
247.10664	0.3
251.09352	0.6
253.10866	0.2
269.10370	100.0
270.10715	7.4
295.08276	0.2
307.10590	0.7
313.09457	0.5
415.16397	36.1
416.16833	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	413.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.4
59.01268	100.0
60.01611	1.1
61.98720	0.4
71.01276	4.6
73.02863	0.4
74.55692	0.3
83.01292	0.8
85.02838	1.5
89.02349	3.3
91.01544	0.3
98.50465	0.3
101.02345	3.0
109.29928	0.3
113.02325	1.8
119.03424	1.7
125.02411	1.0
143.03500	0.5
161.04550	1.3
169.01431	0.9
179.05652	0.8
245.73105	0.3
301.00262	0.4
336.60614	0.7
337.10889	0.6
338.12039	0.9
353.19769	0.6
412.61169	0.5
412.67941	0.9
413.22601	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01604	1.0
71.37447	0.2
98.20518	0.3
107.60262	0.2
339.67923	0.2
359.49631	0.2
413.30679	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01601	0.9
69.35644	0.4
70.44102	1.7
106.79290	0.4
109.96819	0.4
169.45667	0.4
213.80685	0.4
221.15216	0.5
238.13858	0.4
257.34940	0.4
379.51910	0.5
413.26825	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	5.4
63.35936	0.6
68.26806	0.7
71.01287	2.8
71.38087	0.6
83.01298	0.7
85.30145	0.6
85.36019	0.6
89.02345	1.4
95.49425	0.6
101.02336	1.8
107.01299	2.8
111.00796	2.1
113.02367	1.0
119.03445	1.0
123.00823	3.9
124.01576	0.9
125.01442	1.0
125.02369	20.5
126.02682	0.8
127.00269	1.0
136.98729	1.2
139.00270	1.9
139.03926	1.0
140.01067	2.2
149.02383	0.7
151.00290	2.7
155.43387	0.6
165.01918	1.3
167.03387	1.3
168.00613	10.2
169.01376	28.4
170.01758	1.2
183.16335	0.6
211.02481	53.7
212.02812	2.8
216.10298	0.6
241.03542	1.4
271.04648	100.0
272.05005	8.3
297.73087	0.6
331.06802	15.3
332.07214	1.4
415.08795	6.0
415.12769	4.1
416.09335	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	413.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10286	0.2
55.01756	0.5
57.03321	0.4
58.01461	0.2
59.01271	2.6
65.00217	0.2
67.01766	0.8
68.99692	0.3
69.03354	0.3
69.54734	1.4
71.01270	3.3
72.99197	0.3
73.02850	1.2
78.95795	0.3
79.01801	0.6
83.01266	1.1
85.02836	2.1
85.99947	0.3
87.00769	0.4
95.01287	1.3
97.02863	0.7
99.00761	0.6
101.02341	3.1
107.01280	1.6
109.99971	0.4
111.00806	2.2
113.02355	1.1
123.00799	12.2
124.01678	1.0
125.02372	10.8
126.02702	0.6
127.00294	0.8
136.98738	1.7
137.02408	0.2
139.00301	4.3
140.01073	3.2
141.01881	2.3
147.04471	0.5
151.00313	12.5
152.00705	0.4
152.99529	0.7
153.01888	0.7
154.99825	0.4
163.03967	0.4
163.48349	0.2
166.99806	0.4
168.00604	5.2
169.01379	17.2
170.01695	0.6
181.05051	0.6
209.04541	0.3
211.02444	0.9
216.86067	0.2
253.03508	0.2
271.04614	0.4
304.54800	0.2
313.05795	0.9
362.74588	0.2
413.14612	100.0
414.14978	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	413.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50068	0.3
55.01745	0.3
59.01267	8.5
65.00214	0.3
67.01776	0.9
69.03363	0.3
69.75111	1.1
69.75519	0.4
71.01265	5.2
72.99200	0.9
78.04673	0.3
79.01798	1.2
83.01283	0.8
85.02853	1.5
87.00777	0.7
89.02341	2.5
95.01286	2.5
96.99208	0.4
97.02882	0.7
98.19796	0.4
101.02343	2.7
107.01299	3.7
108.47399	0.3
109.02888	0.5
110.00006	0.4
111.00799	2.9
113.02341	1.6
119.03400	0.7
123.00802	17.8
124.01577	1.0
125.02368	16.6
127.00298	1.4
136.98718	1.7
137.76024	0.2
139.00308	6.0
140.01103	4.6
141.01906	2.5
151.00310	10.8
151.03917	0.3
152.00662	0.5
153.01883	1.1
154.99771	0.2
166.99799	0.3
168.00598	5.0
169.01381	18.0
170.01691	0.7
181.05061	0.3
195.02928	0.3
211.02452	3.1
213.99570	0.3
224.52914	0.2
234.60019	0.3
253.03590	0.4
271.04706	1.9
313.05698	1.3
413.14606	100.0
414.14996	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	413.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.7
57.03344	3.4
58.00492	1.0
59.01264	17.0
67.01789	1.0
68.99712	1.8
69.03362	1.9
69.89556	2.6
70.61481	0.4
71.01272	24.2
72.99196	5.3
72.99519	0.5
73.02856	1.5
75.00770	15.9
81.03371	0.8
83.01298	1.1
85.02844	24.2
86.03188	0.7
87.00775	10.1
89.02339	6.2
91.03909	1.1
93.03375	1.1
95.01294	4.9
97.02917	0.5
99.00784	11.2
101.02358	1.0
103.00317	2.5
111.00809	1.1
112.01586	0.8
113.02361	30.8
113.61745	0.5
114.02699	1.1
115.00308	2.4
117.01826	3.0
117.03382	4.3
119.04948	47.9
120.05293	1.5
125.02393	0.9
129.01845	2.4
129.15724	0.5
131.03438	0.8
134.52151	0.5
137.02397	1.1
139.00294	0.7
145.02888	21.4
146.03230	1.1
149.04501	0.7
157.01454	0.9
163.03960	36.9
164.04277	2.1
168.17484	0.6
169.01396	1.1
175.02504	2.1
207.05112	1.9
231.05145	1.0
237.07678	2.9
249.06190	22.6
250.06476	1.0
267.07278	100.0
268.07602	5.8
351.10849	0.9
395.09845	0.9
413.10977	67.2
414.06458	0.3
414.11313	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	413.11
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.7
57.03337	2.6
58.00464	0.7
58.62107	0.6
59.01273	12.7
67.01785	0.8
68.99706	1.5
69.03338	1.4
69.13889	0.6
69.69608	1.0
69.70010	4.6
71.01277	14.8
72.99207	3.8
73.02831	1.9
75.00771	11.2
81.18810	0.6
85.02845	16.1
87.00776	7.2
89.02345	5.1
91.03921	0.9
93.03362	1.1
95.01280	4.7
98.20330	2.0
99.00792	7.5
103.00289	2.3
109.68365	0.7
111.00827	0.9
113.02360	22.2
115.00323	1.4
117.01876	2.2
117.03362	2.6
119.04949	32.9
120.05279	1.6
124.95325	0.6
125.02360	1.2
129.01900	1.0
135.04524	0.7
145.02902	13.5
146.03194	0.9
157.01454	1.0
163.03964	27.3
164.04237	1.3
173.04446	0.8
174.43195	0.7
175.02466	2.1
191.05608	1.3
207.05199	0.8
231.05096	1.3
237.07742	2.6
249.06198	23.9
267.07275	100.0
268.07721	6.3
294.40665	0.7
395.09821	0.9
413.10989	49.8
414.11343	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	411.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91802	0.6
58.77067	0.6
59.01266	100.0
60.01611	1.0
69.02985	0.6
71.34046	0.8
77.16812	0.6
84.19759	0.6
106.58038	0.7
113.79590	0.6
169.16833	0.6
212.45975	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62129	0.3
54.26354	0.3
55.46668	0.3
56.66673	0.4
58.71621	0.4
59.01265	100.0
60.01606	1.0
62.06754	0.3
64.69400	0.4
71.16186	0.9
84.30166	0.3
88.76920	0.3
107.70038	0.3
122.78851	0.4
146.14578	0.3
221.08589	0.3
273.50916	0.3
285.88223	0.4
303.39252	0.3
419.52527	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1261
Annotation	6-Amino-6-deoxyfutalosine
Peak:m/z	Relative Intensity
50.76810	0.2
55.01760	0.4
59.01271	2.2
60.66175	0.2
67.01781	0.8
68.99691	0.2
69.03346	0.7
69.40654	1.1
69.41077	1.3
71.01276	6.8
71.41103	0.2
72.99206	0.4
73.02830	1.8
78.95815	0.3
79.01793	1.0
83.01282	1.1
85.02843	3.8
87.00775	0.9
89.02350	0.9
93.00695	0.2
95.01283	2.2
97.02875	1.0
98.20479	0.5
99.00793	1.0
101.02359	3.8
107.01301	5.9
109.02863	0.3
111.00780	1.9
113.02371	3.3
119.04947	1.0
121.02927	0.2
123.00800	13.4
124.01682	0.4
125.02367	24.3
126.02727	0.7
127.00306	0.7
135.04477	0.5
136.98756	0.9
137.02370	0.5
139.00307	3.5
140.01067	2.5
141.01894	2.2
149.02374	0.3
151.00319	11.2
151.03828	0.4
152.00603	0.4
152.99548	0.4
153.01889	1.2
159.02957	0.4
161.02386	0.6
161.04469	2.4
163.03972	0.4
167.03474	0.2
168.00600	2.9
169.01381	35.6
170.01735	1.4
177.01978	0.3
179.03383	0.5
181.05099	0.4
193.01396	0.4
209.04645	0.3
211.02518	0.6
223.02489	0.5
233.06673	0.4
241.03407	0.3
253.03598	0.9
271.04761	0.2
275.01959	0.3
293.08969	0.5
300.99963	0.5
313.05722	6.4
314.06113	0.5
345.69537	0.3
362.18179	0.2
412.12576	100.0
413.12933	12.3
413.17471	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58292	1.7
55.01749	1.8
57.03310	2.9
59.01266	97.9
61.98700	4.4
71.00895	3.0
71.01271	39.5
71.59278	2.4
72.99200	4.2
73.02859	7.8
77.49835	1.5
78.12717	1.6
82.35339	1.6
83.01270	4.6
85.02849	15.7
87.00758	2.2
89.02345	17.6
92.02087	1.7
95.01268	3.3
97.02900	2.0
99.00795	4.7
101.02353	26.7
111.00775	2.9
113.02341	15.6
119.03408	7.0
123.00808	3.6
125.02347	9.1
139.00320	3.9
143.03482	3.1
144.11897	1.7
151.00288	1.7
151.03545	1.4
159.02986	2.9
161.02417	2.4
161.04492	21.6
168.00743	1.8
169.01335	5.8
178.58495	1.6
179.05542	2.2
189.14941	4.1
191.05562	3.7
205.03596	2.0
262.39935	1.7
300.99921	3.5
351.20303	100.0
352.20621	9.3
410.55316	3.6
411.09430	10.7
412.12396	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	411.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.6
58.00485	2.3
59.01266	66.3
61.98698	1.2
63.67610	1.1
69.69606	7.4
71.01272	41.1
71.90698	1.4
72.01601	1.4
72.99194	3.2
73.02853	1.3
73.98213	1.1
79.05402	2.8
79.37047	1.0
81.03351	2.3
81.07018	1.6
83.01265	2.6
83.04920	5.5
85.02838	10.0
87.00769	1.6
89.02340	43.1
95.01302	3.4
95.04909	1.1
98.20524	2.1
99.04430	2.8
101.02359	17.0
101.37406	1.2
105.07042	1.8
106.04134	2.6
107.04942	2.2
113.02357	23.6
119.03429	12.5
120.05757	2.0
123.00749	1.6
123.62067	1.2
125.02386	3.6
129.06981	1.3
134.79417	1.3
143.03416	2.2
149.04443	1.5
150.30051	1.2
159.11714	1.9
161.04532	4.4
161.13293	15.5
169.01375	3.9
171.65237	1.2
179.05544	12.1
185.09705	1.1
185.13344	1.4
187.11253	17.6
188.11681	1.5
201.12871	2.4
203.14293	1.9
205.12331	100.0
206.12711	8.2
213.14993	3.8
214.76546	1.2
215.14354	1.6
219.13911	3.5
229.12392	18.9
230.12627	2.3
230.87961	1.3
247.13501	5.7
249.11363	25.1
250.11739	2.5
259.13458	3.4
291.12494	2.1
411.16699	2.2
412.10971	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.167
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
50.08227	0.3
57.03322	0.3
57.77433	0.3
58.00482	0.5
59.01264	14.4
61.02948	0.3
61.98695	0.8
69.32744	0.3
71.00896	0.7
71.01269	8.8
72.99213	0.6
73.02833	0.5
77.54503	0.3
79.05425	1.0
80.02562	0.8
81.03338	0.7
81.06995	1.8
83.01273	0.6
83.04903	0.4
85.02855	3.1
87.00774	0.4
89.02338	7.4
95.01283	0.7
95.04932	0.6
98.19848	0.9
99.04417	3.2
101.02349	2.9
104.01658	0.3
105.06982	0.7
106.04164	0.5
107.04916	1.0
108.56383	0.3
113.02354	3.7
113.05996	0.6
118.74399	0.3
119.03429	1.8
120.05793	0.3
125.02342	0.8
129.06970	0.4
139.00336	0.3
139.02533	0.3
143.03387	0.4
161.04483	0.9
161.13301	10.5
162.13678	0.7
169.01370	0.9
179.05571	1.0
185.13290	0.8
187.11258	5.6
188.11584	0.5
205.12328	24.7
206.12643	1.9
219.13974	0.5
229.12277	1.9
229.34233	0.4
230.12703	0.3
235.02730	0.3
249.11354	100.0
250.11688	8.1
260.61063	0.3
273.11295	1.6
291.12460	1.0
298.98489	0.4
314.00824	0.5
329.02866	0.7
404.29523	0.3
411.16696	1.8
412.17233	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2372
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
59.01263	0.4
66.04904	0.2
70.82304	0.2
78.95796	71.4
96.96864	6.0
124.28683	0.3
144.38565	0.2
149.05983	0.4
150.97980	2.1
152.99529	100.0
153.99922	1.8
171.00589	2.4
220.76064	0.2
229.23499	0.3
255.23322	2.5
278.90738	0.3
409.23660	17.7
410.24045	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	411.0251
Annotation	Turgorin
Peak:m/z	Relative Intensity
53.16946	1.1
57.83780	1.2
59.01273	3.0
65.02499	1.3
71.01276	3.0
71.23726	2.8
79.95634	3.0
80.96406	3.5
94.47612	1.1
96.95917	100.0
99.00787	1.9
108.37984	1.2
125.02375	15.6
138.97015	11.6
141.09303	1.1
150.97034	1.8
164.98604	1.4
168.98138	1.9
169.01382	24.0
222.99173	1.9
241.00264	64.3
242.00636	2.6
249.84749	1.2
331.06781	2.2
411.02481	48.6
412.02795	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	409.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.3
59.01265	1.6
70.34684	0.2
70.35021	0.9
71.01272	0.7
75.84996	0.2
83.01265	0.3
89.02356	0.3
93.03358	0.4
95.01302	0.5
99.00731	0.3
106.04150	0.3
107.01295	0.3
109.02900	0.3
112.42673	0.2
113.44406	0.2
117.03384	0.4
119.03479	0.3
119.04954	0.5
120.99553	0.7
123.00803	1.2
125.02370	4.6
126.02692	0.3
133.02882	0.8
135.04379	0.3
137.02376	2.9
145.02913	0.9
147.04495	1.3
147.05461	0.3
149.02345	0.3
159.04456	0.4
161.02373	1.8
162.03120	0.3
163.00307	0.7
163.03999	0.6
164.01085	0.4
164.04591	0.2
169.01352	1.5
173.02406	1.0
175.03967	1.6
177.01904	0.4
188.01230	0.3
189.01923	1.6
190.02704	5.4
191.03488	5.6
192.03819	0.3
201.01859	0.6
203.03467	2.5
217.01440	5.1
218.02194	4.9
219.03004	3.3
223.38892	0.3
229.01495	0.6
231.46848	0.2
245.00917	0.8
246.01747	17.3
247.02522	100.0
248.02873	6.5
257.01022	0.3
264.90924	0.3
271.04550	0.3
273.00568	0.8
275.02188	1.6
278.00961	0.3
287.05786	0.6
299.99341	0.3
300.99966	3.1
302.00488	0.5
321.04599	0.5
355.68375	0.2
394.54248	0.5
395.04773	0.3
395.55084	0.4
409.07892	26.1
409.54633	1.6
410.07993	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.0
57.03343	2.3
58.00481	1.2
59.01268	100.0
60.01593	1.3
60.29554	0.9
63.91049	0.9
63.93866	1.0
64.77959	1.0
71.01274	31.3
72.99208	2.2
73.02847	2.8
74.03160	0.9
75.53580	0.9
83.01300	3.4
85.02850	6.8
87.00766	2.1
89.02343	30.8
93.03358	1.1
95.01297	2.2
99.00784	1.2
101.02352	25.0
104.10821	0.8
107.01328	0.9
109.02877	1.4
113.02362	13.3
114.02676	0.9
119.03436	14.5
125.02386	5.1
131.03458	1.6
137.02397	1.8
141.00146	0.9
143.03496	5.0
149.04558	1.3
153.01785	1.5
159.02885	1.1
161.02434	1.3
161.04507	13.6
163.00386	1.2
163.04016	1.2
169.01424	1.3
179.05586	11.3
183.01237	1.7
187.13374	6.3
203.03575	1.3
229.20279	1.1
247.02592	2.3
271.04614	1.6
301.00092	1.8
321.04507	3.3
349.18768	48.2
350.19186	5.3
378.24332	1.0
409.54343	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36514	0.3
55.01773	0.4
58.00478	1.0
59.01267	100.0
60.01613	1.2
61.98742	0.5
63.39471	0.3
71.01272	18.0
71.59557	0.4
72.99204	1.8
73.02853	1.3
83.01308	1.0
85.02850	2.4
87.00797	1.2
89.02340	29.2
95.01280	0.8
101.02356	10.4
101.03014	0.7
113.02365	7.2
119.03438	9.6
125.02387	1.4
127.66142	0.3
131.03450	1.2
131.28503	0.4
143.03416	2.2
149.04543	0.9
151.07695	0.4
158.26765	0.4
161.04501	3.0
163.04053	0.8
167.10706	0.4
169.01427	1.3
179.05606	8.2
180.05905	0.6
220.04420	0.4
308.03781	0.5
347.21060	0.5
407.07611	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.4
59.01268	100.0
60.01606	2.0
61.01690	0.7
61.98725	3.4
69.00152	0.2
69.03343	0.4
69.58362	0.2
71.01271	3.2
72.99217	0.5
73.02835	1.4
83.01297	0.9
85.02869	1.9
87.00774	0.2
88.19965	0.2
89.02356	0.4
95.01260	0.4
99.00789	0.7
101.02347	3.8
109.02847	0.2
111.00799	0.2
113.02354	1.8
125.02395	1.0
129.01845	0.3
134.91212	0.2
137.02390	0.6
139.11267	0.4
139.66306	0.2
159.03021	0.4
161.04529	1.7
173.02382	0.3
183.10243	2.7
184.10544	1.4
185.10785	0.9
185.12140	0.3
229.31418	0.2
245.09418	0.3
247.65263	0.2
281.06876	0.4
329.16049	0.3
347.17184	17.7
348.17517	2.1
391.16425	0.6
407.07974	0.5
407.19455	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0996
Annotation	Khellol glucoside
Peak:m/z	Relative Intensity
57.03357	0.7
59.01264	13.3
65.00222	0.5
65.14218	0.4
67.01775	0.8
69.03356	0.9
71.01273	8.2
71.59702	0.8
72.99195	0.9
73.02837	3.5
77.03737	0.5
79.01804	1.0
83.01298	2.7
85.02838	5.2
89.02328	2.6
93.03358	31.9
94.03751	0.6
95.01296	2.3
97.02863	1.2
99.00819	2.0
101.02355	7.5
101.14392	0.4
107.01308	6.4
108.89137	0.5
109.02893	1.2
111.00791	2.8
113.02343	4.7
119.03455	0.7
123.00798	14.0
123.01649	0.7
123.04429	1.0
124.01633	1.1
125.02370	38.2
126.02740	1.3
127.00326	0.8
135.04510	0.8
136.98810	1.1
138.90642	0.4
139.00310	5.6
139.04070	0.5
140.01097	4.2
141.01903	2.3
143.03426	1.0
150.03273	0.7
151.00307	11.5
151.03998	0.9
159.03072	0.7
161.02422	1.0
161.04527	2.3
165.05557	1.0
168.00639	3.7
169.01381	55.2
170.01810	1.8
171.10298	2.0
175.04042	0.6
185.11897	2.5
193.01485	0.5
199.04105	1.3
211.02435	1.1
211.04230	0.8
212.04781	0.5
213.05707	0.7
227.03600	2.3
228.04376	1.2
241.03423	0.7
243.02977	3.1
253.03471	0.6
255.02998	7.0
256.03818	4.4
257.04620	1.3
261.00641	0.6
261.13470	6.1
269.04727	0.8
281.04742	1.1
283.02780	1.4
285.04318	1.5
288.02905	0.9
297.04300	0.8
313.05759	12.2
314.06229	1.2
347.17587	0.7
407.10059	100.0
408.10385	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	407.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79982	0.3
58.96634	0.3
59.01260	1.0
62.96318	0.3
64.78826	0.3
71.01267	0.4
71.59792	0.6
71.60170	0.4
78.95795	43.7
79.95612	0.8
89.02348	0.6
96.95917	44.8
96.96864	100.0
101.02303	0.3
179.05743	0.4
211.79594	0.3
227.03551	0.4
236.50822	0.3
246.45372	0.3
255.03058	0.9
256.03677	0.6
280.41345	0.3
287.06494	0.3
309.12079	1.1
383.11072	0.3
407.07199	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0994
Annotation	Fortuneanoside L
Peak:m/z	Relative Intensity
54.45400	0.2
56.02035	0.2
59.01268	3.1
59.51797	0.2
61.98721	1.0
62.36609	0.2
67.01766	0.3
69.03325	0.3
69.48309	0.3
69.48714	1.5
71.01275	0.9
72.25293	0.2
73.02849	0.4
75.00788	0.3
80.53431	0.2
81.03338	0.3
83.01291	0.5
85.02853	0.4
87.00753	0.3
89.02370	0.2
93.03368	0.9
95.01285	2.7
97.02853	0.5
98.19766	0.2
99.00743	0.3
101.02364	0.7
107.01291	0.4
110.00015	0.8
111.00788	1.6
123.00802	13.0
124.01587	44.9
125.02382	33.6
126.02711	1.1
131.04942	0.5
136.99025	0.2
137.02328	1.1
139.00342	0.2
159.04480	0.6
163.04030	0.3
169.01418	0.5
171.10234	0.2
173.06068	0.7
183.04538	0.8
196.74422	0.2
201.05562	15.5
202.05922	0.9
218.79681	0.2
245.04584	100.0
246.04924	7.5
259.06235	0.5
287.05737	0.8
311.05740	0.5
407.09964	14.1
408.04074	0.4
408.10361	1.6
422.91095	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.5
62.51446	0.8
65.27758	0.6
71.56483	1.2
78.95797	40.9
96.95914	47.1
96.96865	100.0
135.08171	0.7
178.96852	0.7
207.48541	0.7
301.42322	0.7
315.53195	0.6
344.70291	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.214
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01780	0.6
57.03340	0.5
58.00476	1.9
59.01265	51.7
60.01594	0.7
61.98738	0.4
69.03352	0.4
69.39123	0.6
69.39521	2.5
71.01270	47.0
72.01606	0.6
72.99189	1.6
73.02847	1.3
77.82234	0.3
83.01270	2.1
85.02848	5.6
87.00791	1.1
89.02336	28.3
95.01283	2.1
99.00793	0.7
101.02343	17.0
108.02105	1.0
113.02357	11.4
119.03416	11.3
122.75233	0.3
123.04395	0.5
125.02357	0.6
127.11215	1.4
131.03419	1.1
139.11174	0.5
143.03432	1.1
149.04477	0.4
152.01024	0.4
153.12794	2.9
161.04506	1.1
167.03416	0.9
179.05540	2.4
181.12357	1.0
181.15948	0.4
199.13358	5.0
207.13887	0.8
225.14922	2.0
243.06680	0.5
243.16057	0.8
273.07819	1.2
332.91394	0.4
346.25629	0.4
387.20383	1.7
392.26642	0.4
405.21371	100.0
406.21725	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	405.2142
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01777	1.9
57.03342	1.3
58.00483	1.5
59.01267	53.9
60.01598	0.7
61.98721	0.5
69.50311	3.2
71.01272	21.5
72.01629	0.4
72.99203	2.0
73.02845	4.3
79.26196	0.3
83.01283	4.0
85.02845	8.6
85.06482	2.4
87.00778	1.8
89.02340	13.0
89.28398	0.3
90.53481	0.4
94.42999	0.3
95.01288	2.3
97.02876	0.6
97.06462	0.7
98.19709	0.6
99.00792	3.8
100.05419	0.3
101.02351	16.5
107.01324	0.6
113.02358	9.0
113.09660	0.4
119.03429	5.0
123.00795	0.4
125.02395	2.0
129.01875	0.5
143.03404	0.8
151.00334	0.8
155.14355	5.6
159.02950	0.8
161.04533	4.3
165.12791	1.1
168.00568	0.4
169.01398	1.8
179.05621	0.6
181.12283	0.9
181.15939	3.8
199.13379	13.7
200.13739	0.6
225.14984	6.1
243.03046	0.8
243.06642	3.6
245.17792	0.4
330.08600	0.9
345.19244	14.5
346.19495	1.3
387.20233	0.7
390.95715	0.4
405.21384	100.0
406.09106	0.6
406.21725	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	405.214
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01774	1.1
57.03333	1.4
58.00478	2.0
59.01266	60.2
60.01608	0.8
61.98711	0.8
69.03344	10.1
69.03696	0.7
69.61764	2.3
69.62170	0.9
71.01272	45.2
72.01623	1.0
72.67976	0.4
72.99198	3.5
73.02858	1.8
73.52157	0.4
79.01803	1.1
81.03380	0.8
83.01297	2.7
85.02849	9.2
87.00804	1.7
89.02341	34.2
90.02683	0.4
93.03358	13.7
95.01291	3.4
97.02855	6.6
97.03385	0.5
98.24390	0.4
99.00809	1.3
101.02349	23.2
102.02679	0.5
105.98232	0.4
107.01289	5.7
107.04996	0.6
108.02126	1.9
109.02871	4.0
113.02357	12.9
113.09637	0.5
119.03422	14.4
121.02845	0.9
123.00797	2.5
125.02372	18.5
126.02737	0.6
127.07610	0.5
127.11276	1.2
131.03505	0.7
133.02959	1.2
134.03699	0.5
135.00874	0.8
135.04521	0.7
136.01671	0.7
137.02380	3.2
139.00432	0.7
139.11301	1.0
143.03546	1.5
149.02451	0.7
149.04570	1.0
151.00314	13.0
152.01025	0.7
153.01877	7.6
153.12788	8.0
161.04645	2.0
163.04060	1.4
168.00604	0.6
169.01361	3.0
173.79468	0.5
175.04163	0.5
177.02043	1.9
179.05574	3.4
181.12419	0.9
195.63553	0.4
197.06154	0.8
199.07597	2.8
199.13391	4.6
201.01973	0.4
225.14961	4.2
242.05881	13.4
243.03194	0.9
243.03860	0.8
243.06638	12.8
243.16241	0.8
244.07115	1.0
285.08011	1.0
297.06177	2.5
375.15100	0.6
375.79614	0.4
387.21014	0.8
405.12683	21.3
405.16394	3.3
405.21350	100.0
406.12799	3.0
406.21692	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	405.2141
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01769	1.8
57.03343	1.3
58.00483	1.1
59.01266	26.2
61.98709	0.8
71.01271	20.3
71.32873	0.6
72.01608	0.4
72.99203	1.7
73.02837	3.5
75.00735	0.3
83.01276	3.1
85.02840	7.6
85.06480	2.6
87.00767	1.7
89.02340	10.5
93.09795	0.3
95.01290	1.9
96.90296	0.3
97.02879	0.2
97.06506	0.6
99.00784	2.8
101.02352	13.5
113.02353	6.3
113.09656	0.3
119.03428	4.4
122.02306	0.2
123.00813	0.4
125.02343	0.6
131.03424	0.3
143.03455	0.6
153.12839	0.4
155.14354	6.7
156.14716	0.3
161.04509	0.8
169.01422	0.5
178.63890	0.2
179.05550	0.5
179.14296	0.2
181.12297	0.7
181.15935	3.1
199.13377	15.2
200.13765	0.7
209.15567	0.3
225.14987	2.9
226.15294	0.3
227.31429	0.2
253.14304	0.5
387.20245	1.3
405.21375	100.0
406.21719	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	405.2139
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01759	1.5
57.03339	12.4
57.85630	1.4
58.00472	5.0
58.02850	1.9
59.01265	100.0
70.57581	1.4
71.01270	63.8
71.19008	1.2
71.28780	1.4
71.59336	2.5
72.99197	9.7
73.02850	2.3
74.02382	4.7
83.01272	3.6
83.04925	2.5
85.02838	18.0
86.02385	2.5
87.00789	4.3
89.02339	74.2
90.02686	1.8
93.03360	2.9
95.01295	5.7
96.04456	1.5
99.00777	1.9
99.05549	4.4
101.02344	45.4
102.88847	1.5
103.35053	1.5
111.00757	1.9
113.02351	29.7
119.03425	32.2
125.02419	2.0
128.03476	12.6
131.03461	3.2
137.09692	1.7
143.03444	5.4
143.04573	15.0
144.04968	3.0
146.04558	2.2
149.04465	3.2
149.09654	11.6
153.09108	1.7
159.02998	1.6
160.00731	1.8
161.04515	14.5
167.10722	22.1
168.17291	1.3
170.06088	1.5
173.04559	4.7
177.03339	1.3
179.05679	10.9
189.81853	1.2
191.05595	3.3
207.14050	2.2
210.08873	3.9
225.14996	2.4
243.15999	10.1
254.07864	3.5
272.08914	4.5
273.09329	2.0
289.07178	1.7
306.07651	2.9
307.08047	10.3
308.07541	3.0
405.04755	2.3
405.13303	1.9
405.21420	49.4
406.16672	4.4
406.21948	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36209	0.4
56.81324	0.4
57.03344	2.0
59.01265	100.0
60.01598	1.2
64.12139	0.4
69.03347	3.0
69.30206	1.7
69.30637	2.7
71.01263	3.2
71.04896	0.7
83.13564	0.4
85.02835	0.8
89.02334	2.2
101.02336	2.2
109.02896	0.5
111.08093	0.8
113.02364	2.9
119.03426	1.9
119.36357	0.4
125.02364	1.7
130.57933	0.4
133.04980	2.5
137.02373	0.5
139.11221	6.7
151.03979	0.5
153.45000	0.5
156.74811	0.4
159.04491	0.5
161.04483	1.8
179.05598	0.9
183.10236	62.5
184.10602	4.6
197.11768	0.8
198.94148	0.4
203.07126	0.8
219.96548	0.5
221.06599	0.5
225.11327	2.7
240.12514	0.5
245.08194	0.5
271.06262	1.2
289.07224	3.9
308.43686	0.4
311.59726	0.4
314.26096	0.4
345.15536	1.7
359.08011	0.4
393.77823	0.4
404.24405	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2141
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
59.01266	100.0
60.01612	1.3
61.98724	0.6
71.01274	8.0
72.99207	0.8
73.02856	0.5
73.62441	0.3
75.00811	0.5
83.01256	0.5
85.02856	1.3
87.00784	0.5
89.02338	10.8
93.03336	0.4
95.01313	0.8
97.02877	0.5
101.02345	4.9
107.01319	0.9
109.02868	0.5
113.02364	4.6
119.03423	4.7
123.00816	1.0
125.02372	5.6
126.02795	0.4
131.03494	0.7
134.03697	0.7
137.02403	1.5
139.00323	0.7
143.03432	0.9
149.04538	0.5
151.00307	0.5
161.04510	2.5
166.02635	0.5
168.00584	0.6
169.01395	6.0
170.01717	0.7
177.02029	0.8
177.03926	0.5
179.05574	2.8
183.02956	0.5
193.05104	0.8
243.16066	0.5
300.99945	0.5
329.05942	2.5
329.56055	0.5
345.19391	1.5
352.60410	0.4
369.26724	0.4
384.59247	0.4
404.56061	0.5
405.07077	0.8
405.21323	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1695
Annotation	Honyucitrin
Peak:m/z	Relative Intensity
57.16899	6.9
59.01265	100.0
69.60947	49.4
71.01257	23.4
73.02861	9.7
89.02342	22.3
89.83895	7.4
98.22112	9.1
99.14838	6.8
101.02350	11.1
106.89582	7.4
113.02416	6.7
119.03384	8.8
123.04387	7.9
125.02362	13.0
137.02449	7.4
151.03918	20.2
169.01407	11.7
226.08699	14.0
244.09930	11.4
288.96893	7.3
344.52136	7.9
405.16840	50.6
405.21564	20.8
406.17578	10.1
422.82114	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00492	0.6
59.01265	59.1
66.03826	0.7
68.53432	0.6
71.01276	8.3
71.43056	0.7
72.99203	0.7
73.02853	6.1
75.52316	0.7
83.01242	1.0
84.01564	0.7
85.02843	2.3
87.00761	0.9
89.02336	7.9
95.04930	1.0
101.02357	4.9
113.02352	4.3
119.03425	4.5
121.10166	2.1
125.09616	1.3
128.19038	0.8
131.32248	0.7
139.11208	14.8
140.11501	1.2
143.03450	1.0
161.04507	2.7
163.11232	1.3
165.09171	0.9
179.05574	2.0
181.12296	10.9
182.12646	0.8
183.10239	47.6
184.10576	2.6
199.13385	7.1
213.86694	0.8
225.11301	7.1
243.12405	100.0
244.12770	7.2
285.13507	2.7
305.11432	1.6
313.02048	0.9
327.78772	0.8
345.04883	0.8
345.15842	1.4
355.76917	0.8
405.17096	6.9
405.22092	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	405.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10402	0.4
55.01765	0.7
57.03345	1.9
58.00487	1.4
58.28107	0.5
59.01267	100.0
59.66217	0.4
60.01596	0.8
71.01273	28.9
72.33736	0.5
72.99206	1.7
73.02831	2.7
74.02378	0.9
80.65170	0.4
83.01283	1.4
83.04910	0.5
85.02847	7.3
86.02382	0.6
87.00793	1.6
89.02341	26.5
90.55328	0.4
92.86436	0.4
95.01302	1.9
99.00803	1.2
99.05566	1.4
101.02352	16.6
102.02686	0.6
102.05560	0.5
102.53852	0.4
107.35139	0.4
113.02360	10.7
119.03419	9.4
125.02386	1.1
128.03459	3.0
129.03807	0.5
131.03459	0.9
135.05537	0.5
135.08177	0.5
137.99643	0.5
143.03474	2.1
143.04575	4.8
144.04887	0.6
149.04512	1.0
153.01888	15.1
154.02229	0.5
159.02956	0.8
161.04512	9.7
168.04239	17.3
169.04640	0.6
179.04248	0.5
179.05737	3.6
181.32474	0.4
183.06598	13.0
184.06804	0.6
190.40321	0.5
192.67932	0.5
208.34656	0.4
210.08778	0.6
243.16090	1.6
249.47554	0.4
254.07999	1.1
272.08951	1.3
301.19986	0.4
306.07800	0.9
307.08093	1.7
405.04971	0.6
405.13293	0.5
405.21548	9.1
406.16760	0.7
406.21783	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1203
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
53.59399	0.3
59.01266	10.7
60.69545	0.3
61.98713	0.7
65.00204	0.6
65.03853	2.5
67.01769	1.4
68.99706	0.7
70.47117	1.4
71.01274	2.6
73.02843	0.5
80.02572	0.8
81.03336	0.4
82.58419	0.3
83.01257	0.6
84.58625	0.3
85.02850	0.8
87.00748	0.5
89.02346	1.2
91.01793	40.2
92.02122	1.3
93.03368	0.6
94.19126	0.3
95.01295	0.6
101.02345	1.6
107.01305	1.2
107.04956	1.8
108.02087	4.2
109.02868	29.1
110.03207	0.9
111.00720	0.4
113.02370	1.0
119.04967	0.4
121.02868	1.4
123.00799	0.9
123.04430	0.7
124.01577	0.4
125.01466	0.4
125.02362	5.0
131.04927	0.4
133.02872	1.4
134.03667	1.2
135.00810	100.0
136.01105	3.1
137.02385	4.0
139.00294	0.4
145.02823	0.4
147.04495	0.4
149.02376	1.7
151.03954	0.7
152.01105	1.6
153.01881	95.4
154.02246	3.4
160.44366	0.3
161.02403	1.0
161.04478	0.6
163.03922	0.5
166.99825	0.4
168.00577	0.5
169.01395	5.5
175.03961	3.9
177.01891	3.5
179.03484	0.5
189.01904	0.8
193.05109	0.9
195.02986	0.4
197.06049	1.1
199.07521	0.4
225.05537	1.0
225.14885	0.5
232.02959	0.5
243.06688	14.6
243.16039	0.9
244.07022	0.9
253.07321	0.5
267.06830	0.6
297.06204	18.3
298.06549	1.4
300.99908	0.7
317.04303	0.6
329.05899	1.9
329.56140	0.5
404.56262	0.5
405.06711	1.4
405.12024	15.5
405.20935	5.4
405.56442	0.7
406.12357	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1203
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
51.02294	0.7
59.01265	15.4
61.98708	0.6
69.03345	62.8
69.27245	3.8
69.27651	1.0
70.03679	1.4
71.01275	4.4
79.01780	12.6
81.03351	4.0
84.76522	0.4
85.02841	2.7
87.00797	0.7
89.02356	3.3
93.03358	2.1
95.01289	6.8
97.02854	38.5
98.03188	0.7
101.02372	3.0
103.46684	0.5
107.01295	42.6
107.04890	0.9
108.02104	11.2
109.02879	5.7
113.02354	2.8
119.03434	1.7
119.04934	0.9
121.02864	7.3
122.03675	1.1
123.00806	12.7
123.04450	0.8
125.02370	81.6
126.02708	2.1
127.02856	0.6
133.02881	3.0
134.03630	1.2
135.00841	2.2
135.04434	2.4
136.01584	7.3
137.02399	6.3
142.59775	0.5
145.02895	0.8
149.02393	4.5
149.05975	0.5
150.03009	0.5
151.00314	79.3
151.03947	1.8
152.00815	3.1
153.00645	1.0
153.01881	18.1
153.12875	0.6
154.02200	0.6
160.12253	0.4
161.02353	1.3
161.04471	1.1
163.03960	8.6
165.01938	0.9
169.01401	1.2
169.30254	0.5
172.51958	0.4
175.04001	0.8
177.01895	13.3
178.02278	0.9
179.03433	1.2
179.05566	0.7
189.01909	0.8
194.02272	0.5
195.02954	0.5
197.06049	5.0
198.06725	0.8
199.07605	1.4
207.02960	1.3
213.05576	1.3
219.03027	1.3
242.05873	100.0
243.06615	59.0
243.09312	1.1
244.06944	4.3
255.06683	1.0
285.07727	6.1
286.08160	0.7
297.06171	21.8
298.06595	1.5
385.16312	0.5
405.12018	26.3
405.20874	6.8
406.12326	2.6
406.21854	0.7
420.14035	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1201
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
51.02276	0.5
55.01774	0.7
59.01265	1.9
61.98694	0.6
63.08464	0.3
65.01801	0.3
67.01765	0.4
68.99741	0.4
69.03345	70.7
70.03676	1.0
70.85704	0.5
70.86027	0.5
71.01255	0.8
74.18848	0.4
79.01775	12.1
81.03352	3.8
83.01279	0.5
85.02860	2.1
87.00785	0.5
93.03345	0.6
94.94624	0.3
95.01284	8.0
95.24345	0.4
97.02854	39.6
98.03201	0.7
99.00764	0.4
101.02335	1.1
107.01296	46.2
107.04945	0.6
108.02145	6.7
109.02877	5.3
113.02335	1.5
117.43859	0.4
119.04911	0.6
121.02874	3.8
123.00802	15.0
123.04421	0.4
124.01145	0.6
125.02371	95.3
126.02703	3.3
133.02867	1.6
134.03676	1.3
135.00812	19.5
135.04414	1.3
136.01607	6.3
137.02374	2.3
145.02916	0.9
149.02406	2.3
150.03159	0.4
151.00313	86.2
151.03893	1.5
152.01102	7.7
153.01883	27.2
154.02190	1.0
161.02409	0.8
161.04486	0.7
162.03108	0.5
163.03966	7.1
165.01920	0.6
175.03975	0.5
177.01897	8.9
179.03491	1.0
189.01868	0.5
191.03438	0.7
193.04956	0.6
194.02179	0.4
197.06012	1.8
198.06812	1.1
207.03008	1.0
219.02972	0.9
225.05612	1.0
242.05882	100.0
243.06592	34.6
244.07059	1.7
255.06621	0.5
267.06577	0.6
285.07767	4.4
286.08032	0.6
296.53473	0.3
297.06131	9.2
297.11176	0.4
298.06665	0.5
325.41006	0.3
334.43790	0.4
339.72607	0.3
405.12006	63.6
406.07178	0.7
406.12314	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81603	0.7
57.03338	6.9
59.01266	64.9
60.01587	1.0
65.58572	0.8
66.65067	0.8
69.03348	1.5
71.01272	16.4
71.60117	1.4
78.69322	0.9
79.41734	0.8
81.03358	3.4
83.01274	3.7
85.02833	1.6
87.00781	8.3
87.04384	1.0
89.02338	8.3
93.03361	1.1
95.01219	0.9
95.04923	2.6
97.02871	4.3
99.04410	1.2
101.02338	4.0
107.04914	0.8
109.02866	20.8
110.03233	0.9
111.00811	2.2
111.04394	0.9
111.08052	0.8
113.02364	3.2
119.03403	2.0
121.02840	2.8
122.03656	1.2
123.04443	12.9
125.02374	47.7
126.02633	1.2
131.04866	0.8
133.05000	73.4
134.05319	1.5
135.04443	2.0
137.02385	14.1
139.03931	3.7
139.11255	4.4
145.02919	7.9
146.03462	1.1
147.04414	0.9
149.02406	5.8
151.03949	7.6
157.66389	0.9
159.04472	7.4
160.05222	1.7
161.02356	1.3
161.04538	1.9
161.06027	5.6
162.03059	0.9
163.03949	1.6
164.01083	3.5
165.01891	4.0
167.03552	1.4
168.13559	0.9
175.03931	2.1
175.07607	1.6
179.03465	5.1
183.04422	1.5
183.08618	1.9
183.10237	31.2
184.10587	2.3
185.05998	4.0
187.04002	6.6
188.04726	2.7
193.05067	1.7
201.05498	2.6
202.06303	1.9
203.07121	14.9
205.05101	6.8
211.04135	1.3
211.06064	6.7
221.08189	2.0
225.11343	1.0
225.14980	1.3
227.03485	1.0
227.07137	3.0
229.05057	1.1
245.08209	16.3
246.08597	1.6
247.06093	1.4
253.05048	8.5
254.05376	1.0
271.06186	25.5
272.06396	1.1
273.00458	1.0
289.07254	100.0
290.07642	8.8
299.99063	1.9
300.99988	2.6
302.00253	1.0
316.99783	1.0
343.08109	2.9
345.15723	1.2
361.09268	1.0
365.39240	0.8
405.21338	1.7
409.73337	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04355	0.5
59.01269	100.0
60.01609	0.9
61.98718	4.9
71.01314	0.6
71.61288	0.6
78.95810	1.1
108.64333	0.5
125.02397	1.5
158.21837	0.6
169.01404	1.5
186.32806	0.5
343.28488	5.0
403.10495	1.6
404.17529	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51783	1.3
58.02872	7.4
59.01274	11.6
68.60778	1.3
71.01271	6.5
71.38239	3.1
72.00794	2.5
74.02355	18.9
74.02733	1.6
82.02880	2.2
85.02818	2.3
86.02352	7.9
86.99000	1.4
87.00808	1.8
87.05534	6.8
89.02345	5.9
90.00110	2.7
97.03961	2.6
99.05544	18.6
100.33501	1.3
101.02364	4.6
101.07133	2.4
102.05522	2.4
109.04001	3.2
109.07633	1.5
111.05582	1.5
112.03994	2.1
113.02408	1.8
116.01621	2.1
119.03443	2.0
121.02883	1.5
123.00806	1.9
123.04440	1.9
125.02385	3.6
125.03542	1.9
127.05064	3.5
128.03473	47.0
129.03812	1.6
131.04475	1.4
135.04576	1.4
135.05602	5.4
139.00352	1.8
141.01912	1.8
141.06674	3.1
143.04565	67.8
145.06161	1.6
146.04568	5.9
151.03958	1.5
153.06674	4.0
155.08192	1.5
160.00688	17.6
163.26297	1.5
166.09796	2.9
167.04616	3.6
167.08247	1.6
169.01413	3.9
170.81413	1.4
173.04572	4.2
177.03342	6.3
179.04585	13.0
180.07741	1.7
188.45888	1.2
191.05617	4.6
192.05930	1.6
197.05602	2.6
198.06953	2.1
198.08730	1.5
199.07771	1.4
210.08846	12.1
213.03503	2.1
254.07884	16.7
272.08966	28.5
273.09424	2.7
288.06619	9.6
306.07742	100.0
307.08026	5.7
404.12833	19.6
404.20322	2.0
405.04575	2.1
405.13092	3.0
405.21393	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	403.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.6
57.03337	0.5
58.00492	0.3
58.02873	0.5
59.00992	0.4
59.01271	4.8
62.25527	0.3
63.51908	0.4
67.01778	0.4
69.03348	0.8
69.79176	2.1
71.01270	5.9
72.99209	1.1
73.02829	1.7
74.02360	1.2
79.01797	1.1
83.01266	1.6
85.02846	3.0
86.02370	0.5
86.04980	0.3
87.00768	1.4
89.02347	2.6
93.03366	0.4
95.01297	2.6
97.02861	0.8
98.21246	0.4
99.00770	0.8
99.05566	0.7
101.02361	4.7
101.07064	0.4
105.36352	0.3
107.01294	3.0
111.00827	2.0
111.01505	0.4
113.02351	3.3
117.97208	1.1
119.03413	0.8
122.99907	0.8
123.00804	14.5
124.01711	0.4
125.02370	13.0
127.00270	0.8
128.03481	2.0
136.98743	1.5
137.02371	0.6
139.00331	3.6
140.01097	2.9
141.01924	2.6
143.04581	3.3
146.04514	0.4
151.00325	11.9
151.03981	0.4
153.01912	0.8
159.02998	0.4
160.00659	0.7
161.04495	0.7
168.00577	4.0
169.01389	17.8
170.01709	0.5
173.04536	0.6
179.04503	0.5
191.05568	0.7
210.08856	0.6
211.02472	1.0
223.02480	0.5
228.05121	0.3
234.16998	0.3
241.14430	1.9
246.47815	0.3
253.03606	0.5
254.07921	0.9
271.04614	1.0
272.08939	1.5
277.26370	0.4
306.07764	5.7
313.05743	1.1
354.17435	0.4
403.12549	100.0
404.12897	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	403.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.6
59.01269	6.9
65.00200	0.6
67.01781	3.0
67.11944	0.6
69.03342	1.6
71.01267	6.5
71.08999	1.2
71.09334	0.6
71.72517	0.5
72.99191	2.1
73.02821	1.6
75.00774	0.6
78.95804	1.0
79.01781	1.4
83.01274	2.3
85.02833	4.9
86.00587	0.6
87.00771	1.6
89.02328	1.7
95.01283	6.2
96.95892	1.1
97.02888	1.0
99.00774	2.9
101.02344	5.8
107.01290	6.0
109.02844	1.7
111.00799	7.3
113.02351	2.8
119.03405	0.7
121.02846	0.9
123.00804	17.8
123.04448	1.3
124.01604	1.1
125.02370	24.0
126.02732	1.7
127.00275	0.8
135.02882	1.0
136.98717	1.8
137.02365	3.9
139.00296	9.6
139.03957	0.9
140.01112	4.6
141.01927	3.0
149.02409	1.1
151.00317	14.7
151.03964	1.3
153.01898	1.2
153.05519	3.7
154.99808	2.0
157.01357	1.5
159.28378	0.7
160.18217	0.6
161.04497	0.6
163.00351	8.1
163.03995	0.9
164.00746	0.7
165.01854	4.6
166.02676	8.0
166.99751	1.2
167.03464	17.5
168.00609	6.3
168.03790	0.6
169.01381	36.8
170.01694	2.0
175.02428	0.7
181.05031	11.5
182.05830	6.2
190.99846	2.1
191.05553	0.9
193.01376	1.1
197.08098	1.8
205.03496	0.8
206.99348	1.2
208.00108	2.0
208.03770	0.8
209.00887	5.7
211.02438	1.8
222.09599	0.5
223.04332	0.7
223.06242	1.1
225.04056	2.6
226.04840	11.1
227.04951	0.9
241.07207	15.5
242.07423	0.9
251.01962	0.9
261.03302	0.6
271.04669	1.0
295.04446	0.6
300.99936	0.9
306.07782	0.8
308.03674	1.8
313.05661	1.6
316.03378	1.4
316.53607	0.7
322.03421	1.1
322.53363	0.8
329.08844	3.5
349.98712	0.7
353.05316	2.7
363.55762	0.6
388.10013	4.0
388.69354	0.6
403.12503	100.0
404.12820	11.6
412.43060	0.5
425.35703	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1254
Annotation	7,8-Didehydropenstemoside
Peak:m/z	Relative Intensity
59.01274	8.4
67.01794	2.8
69.03342	1.5
71.01263	6.3
72.99210	5.9
75.00758	1.6
78.95802	8.2
83.01283	2.3
85.02835	4.6
87.00789	1.4
89.02327	1.8
93.03355	4.1
95.01289	4.7
96.95914	49.5
96.96834	9.0
98.20573	2.1
101.02345	2.3
107.01289	2.4
109.02836	1.8
111.00778	4.8
113.02333	2.4
114.44300	1.3
116.29164	1.2
121.02879	9.9
122.03670	1.6
123.00809	9.5
123.04446	4.5
124.01610	1.7
125.02366	16.5
133.02872	5.5
134.03638	3.9
135.04453	20.1
137.02383	6.2
138.03189	8.6
139.00345	7.2
139.03905	2.7
140.01025	1.5
149.02382	14.8
150.03145	5.0
151.00307	2.8
151.03905	3.0
153.01857	1.5
153.05475	5.9
154.99837	1.3
163.00346	4.6
163.03882	1.5
164.01024	1.4
165.01884	7.8
165.05528	31.1
166.02669	39.2
166.05820	1.8
166.99823	1.5
167.03484	8.9
168.00604	2.2
169.01360	15.1
173.04500	2.4
181.05026	94.7
182.05389	6.9
191.05612	6.0
193.01382	5.6
195.06708	1.7
196.07353	6.1
207.02974	2.4
207.06587	2.6
209.00934	4.0
223.06131	2.7
225.04044	91.7
226.04556	6.2
239.05580	1.6
240.06413	80.8
241.03641	1.4
241.04196	1.6
241.07132	32.2
242.07495	1.6
305.06818	7.2
308.03745	2.0
320.79666	1.7
322.03195	2.0
371.09650	1.3
387.79819	1.4
403.12558	100.0
404.12860	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	403.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	5.3
69.75202	2.7
69.75620	1.4
71.01270	3.6
73.02834	1.1
78.95795	1.4
83.01302	0.7
85.02850	3.3
89.02349	1.9
95.01277	0.7
96.95918	1.8
98.19949	1.7
99.00770	0.9
101.02343	1.7
109.02878	1.0
111.00784	1.5
113.02325	0.8
119.03405	1.0
121.02856	2.1
122.03644	1.8
123.00776	3.6
123.04456	5.9
124.01575	1.1
125.02422	4.2
128.03442	0.8
137.02386	3.0
138.03209	1.7
139.00330	2.2
139.03976	4.9
141.01842	0.9
149.02383	2.5
150.03098	1.4
151.00294	5.0
151.03969	2.5
153.01924	1.9
153.05505	20.4
154.02690	1.5
154.05865	1.0
163.98267	0.8
165.01866	2.8
165.05528	0.8
166.02669	46.7
167.03447	96.5
168.03792	4.3
169.01413	5.0
169.04956	1.0
178.73778	0.8
180.04167	0.7
181.05025	53.7
182.05807	32.3
183.06119	1.4
192.00705	0.9
193.01369	2.4
197.08185	5.4
207.03026	1.4
208.03812	4.4
223.06175	4.5
225.04042	14.0
226.04832	58.6
227.05142	3.5
241.07196	93.6
242.07541	5.5
271.74384	0.7
300.99979	0.9
306.07477	1.0
329.08887	15.7
330.09244	1.1
344.11145	1.4
388.10214	21.3
389.10529	1.5
403.12537	100.0
404.12885	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	401.1463
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01765	6.5
57.03329	7.0
58.00478	4.1
59.01265	65.6
60.01596	1.0
67.01770	0.9
67.30666	0.7
68.99689	0.9
69.03339	2.7
71.01270	100.0
71.59574	0.9
72.01605	1.8
72.99195	6.3
73.02842	23.5
75.00771	1.7
81.03361	2.4
83.01272	15.2
85.02843	44.4
85.99962	1.6
86.03142	0.8
87.00775	4.9
89.02338	55.0
90.02663	1.1
95.01289	4.7
96.95915	1.7
97.02840	4.4
99.00777	11.2
101.02345	68.7
101.88729	0.8
102.02653	1.7
108.52399	0.8
109.02868	1.8
111.00791	14.0
111.04435	0.8
113.02353	29.3
114.02733	1.1
115.03919	1.2
119.03392	4.1
121.02857	1.3
123.00803	1.4
123.04358	1.0
125.02378	6.9
129.01881	4.4
131.03430	30.4
133.02913	1.0
137.02354	1.2
139.00279	1.4
139.03862	1.1
141.01852	1.4
143.03418	6.9
147.90109	0.9
148.04019	0.8
149.02441	0.9
149.04494	13.9
151.03973	2.3
155.03471	0.9
159.02956	5.6
161.04504	38.6
162.04808	1.4
168.00458	0.9
169.01404	1.4
173.04524	2.4
175.03981	0.9
179.05562	1.3
179.07143	1.3
179.64638	0.7
191.05603	5.8
205.03497	5.0
213.60826	0.8
215.05618	1.4
221.08223	4.1
223.04572	2.3
233.06702	9.5
251.09283	1.6
258.19675	0.8
269.10364	79.1
270.10703	5.3
293.08957	3.4
313.09512	1.1
341.11206	1.6
348.23111	1.0
401.14630	79.2
402.15216	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	401.1461
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
53.82809	0.2
55.01769	0.6
57.03319	0.7
59.01271	4.4
65.00201	0.4
67.01796	0.6
68.99689	0.5
69.03329	0.5
69.65365	0.3
71.01270	4.5
71.05980	0.6
71.06347	0.3
72.99203	0.6
73.02845	1.4
79.01774	0.8
83.01294	1.8
85.02845	2.6
85.06504	0.3
85.99999	0.5
87.00783	0.5
89.02329	1.5
95.01276	2.2
97.02859	1.1
99.00765	0.7
101.02348	4.2
107.01295	2.5
109.02857	1.0
110.00019	0.4
111.00800	2.7
113.02361	1.7
119.03439	0.6
123.00796	16.2
123.04440	0.3
123.46314	0.2
124.01646	1.3
125.02370	14.2
126.02677	0.3
127.00290	0.8
136.25000	0.3
136.98724	2.0
137.02367	0.7
137.09734	0.3
139.00304	5.7
140.01091	4.4
140.51511	0.2
141.01863	2.6
151.00307	12.0
151.03874	0.4
152.00606	0.4
153.01836	0.9
154.99794	0.3
163.04013	0.5
165.01825	0.3
168.00589	5.1
169.01379	17.6
170.01711	0.6
181.04985	0.6
211.02322	0.3
221.11818	0.4
222.08252	0.3
239.09227	0.5
245.08353	0.3
251.76971	0.3
289.07129	0.9
313.05786	0.9
325.09174	0.3
341.10956	0.7
401.14594	100.0
402.14948	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	401.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47986	0.2
55.01772	0.7
56.73798	0.3
57.03330	0.5
58.00474	0.4
59.01265	6.6
59.04564	0.2
59.40174	0.2
67.01774	1.1
68.99699	0.3
69.03349	0.4
71.01267	6.2
71.61276	0.2
71.61668	0.4
72.99197	1.0
73.02843	2.3
75.00761	1.5
79.01788	1.3
83.01271	2.1
83.04906	0.3
85.02848	2.9
85.06458	0.3
85.99986	0.3
87.00772	1.0
89.02332	2.2
95.01293	2.5
97.02847	1.1
99.00784	0.7
101.02344	5.2
102.02606	0.3
105.01827	0.4
107.01293	3.5
109.02883	0.7
110.00000	0.6
111.00789	3.5
113.02354	2.4
119.03416	1.0
121.02915	0.2
123.00802	16.5
123.04402	0.3
124.01587	1.0
125.02371	15.6
126.02707	0.5
127.00306	1.4
129.01874	1.0
136.98724	1.9
137.02391	0.8
139.00302	5.4
140.01102	4.4
141.01888	2.7
143.03363	0.3
147.02972	0.4
151.00314	12.0
151.03978	0.4
151.11249	0.2
152.00629	0.3
153.01883	0.9
154.99725	0.4
161.02437	0.4
161.04559	0.5
163.03946	0.3
165.01936	0.3
168.00623	5.1
169.01382	17.1
170.01743	0.9
177.01945	0.3
179.03519	0.3
179.05569	0.6
181.05051	0.4
209.04604	0.3
221.11790	0.5
239.09268	0.7
253.03418	0.3
258.56512	0.3
289.07147	0.4
313.05634	1.4
325.09250	0.3
335.70932	0.3
341.11084	1.7
374.23679	0.3
399.46320	0.3
401.14600	100.0
402.14957	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	401.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79163	0.3
55.01745	0.5
57.03334	0.6
58.00479	0.5
59.01267	10.8
65.00220	0.6
66.07555	0.3
67.01764	1.0
68.99705	0.6
69.03333	0.9
71.01276	6.8
72.99192	0.5
73.02843	1.6
75.00764	0.3
76.79533	0.3
79.01789	1.1
80.40414	0.3
83.01276	2.0
85.02851	3.1
87.00771	1.3
89.02337	2.9
93.03342	0.3
95.01280	2.4
95.04900	0.3
96.53014	0.3
96.99166	0.3
97.02833	1.1
98.19717	0.5
98.38729	0.3
99.00764	1.1
101.02352	5.7
107.01314	3.2
109.02874	0.9
110.00017	0.4
111.00782	3.5
113.02358	2.8
119.03415	1.3
121.02871	0.6
122.99906	0.7
123.00806	16.1
123.04423	1.2
124.01617	1.4
125.02374	16.6
126.02670	0.4
127.00285	1.4
129.01869	0.4
135.04460	0.5
136.98746	2.3
137.02327	0.8
137.09607	0.4
139.00301	5.7
140.01106	5.8
141.01906	2.4
143.03348	0.3
149.02350	0.5
150.99120	0.7
151.00317	11.6
151.03903	0.4
152.00635	0.4
153.01866	1.0
154.99773	0.3
161.02420	0.6
161.04480	1.0
163.03902	0.8
165.01804	0.4
166.02766	0.4
168.00615	6.0
169.01392	19.3
170.01640	0.4
175.03925	0.4
177.01923	0.5
179.03387	0.4
179.05591	0.6
179.10732	1.2
181.05022	0.6
183.10226	0.3
211.02388	0.8
211.62737	0.3
221.11852	1.2
229.92746	0.4
289.07233	1.2
313.05737	1.0
325.09549	0.4
341.10995	1.4
382.91064	0.3
401.14621	100.0
402.09824	0.8
402.14966	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97702	1.2
57.03341	1.9
58.00478	3.4
58.99504	1.4
59.01264	81.4
70.35207	5.5
71.01268	59.4
72.99197	2.4
73.02837	2.9
83.01252	1.7
85.02837	15.8
87.00771	15.1
89.02339	72.5
95.01306	2.8
99.00782	1.5
101.02343	24.4
113.02361	23.4
119.03413	25.5
119.63982	1.4
129.01913	1.5
131.03447	4.6
143.03442	6.0
149.04440	1.7
161.04555	4.0
163.03958	1.7
164.04768	1.7
178.06334	2.7
179.05579	26.2
179.07095	5.9
188.04765	1.3
190.60355	1.4
191.05588	61.1
191.07306	3.3
194.05832	1.7
209.08102	2.2
265.07266	7.7
268.34702	1.4
277.07205	3.3
295.08240	5.7
325.08963	2.0
341.10956	100.0
342.11246	8.9
370.28867	1.4
401.10983	17.2
402.11377	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	401.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	5.3
59.01266	71.2
60.01587	1.7
65.74638	1.7
67.01793	1.9
71.01271	18.3
71.60828	2.7
72.99197	5.4
73.02839	4.3
74.90398	1.5
75.00765	5.0
83.01270	4.0
85.02858	9.2
87.00783	3.7
89.02343	14.2
90.30957	1.5
93.03342	2.0
95.01279	4.0
96.95916	11.3
97.02889	2.6
99.00784	4.6
101.02352	11.8
105.01830	3.9
107.01273	1.9
107.04946	15.4
109.02881	4.7
111.00748	1.6
111.04427	6.8
113.02370	12.8
114.41192	1.5
117.03344	1.9
119.03405	5.0
120.70567	1.6
121.02849	5.6
123.00751	2.1
123.04453	4.2
125.02374	69.2
126.02721	2.6
133.02876	2.9
135.04440	5.9
135.37825	1.5
139.00323	2.4
140.00992	1.8
141.01965	1.9
146.31325	1.6
149.02431	7.6
151.03925	5.0
153.01935	2.3
161.02379	4.5
161.04491	4.4
163.03937	2.7
165.09129	2.1
166.99820	3.5
169.01389	8.9
179.03471	100.0
180.03796	4.3
182.88437	1.5
219.03133	2.5
221.11833	4.8
231.02971	2.3
239.05653	18.6
267.07275	5.1
275.01859	2.1
293.12033	2.1
341.10910	6.2
383.11548	1.7
401.12149	12.2
401.18936	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	401.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73327	2.0
59.01265	15.7
61.92408	2.4
68.99696	2.4
71.01269	15.6
71.30250	5.7
72.99202	3.6
73.02833	4.5
85.02850	13.4
87.00774	70.0
89.02334	15.9
96.96887	2.4
101.02342	12.3
113.02357	10.8
119.03406	3.2
149.02390	7.5
153.05431	3.4
156.64095	2.5
161.02414	4.3
164.04745	28.1
165.05522	6.5
166.02650	11.2
176.04712	3.6
177.01880	2.8
179.03473	23.5
179.05635	4.4
179.07088	58.4
181.05002	9.9
187.03999	3.9
188.39001	2.4
191.03461	2.8
192.04205	2.9
193.04990	11.7
194.05833	15.8
209.08223	22.2
220.03510	2.8
222.05420	2.9
222.16454	2.3
237.07788	5.8
261.07639	3.9
265.04364	5.2
265.07220	100.0
266.07425	4.8
279.08743	2.7
325.09265	20.4
341.10980	19.9
342.10822	2.3
401.06049	4.4
401.11002	75.2
402.11169	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1099
Annotation	CHEBI:45068
Peak:m/z	Relative Intensity
59.01257	5.5
59.66678	1.3
63.10266	1.4
66.15305	1.2
70.10168	3.0
70.10558	3.1
71.01275	7.1
73.02845	1.6
73.57465	1.4
74.11749	1.3
75.55486	1.2
85.02852	2.4
87.00775	26.6
89.02338	5.4
101.02342	3.8
102.38290	1.3
113.02374	4.3
121.02803	1.4
123.00778	2.1
149.02469	1.7
161.02397	4.0
163.03915	7.4
164.04688	5.5
165.05510	1.8
166.02655	3.0
173.02385	1.3
176.04692	6.3
177.01918	2.7
178.06314	9.9
179.03427	4.1
179.05637	2.7
179.07066	15.6
181.05009	5.6
184.64587	1.3
191.03529	6.9
191.07123	4.4
193.05077	5.0
193.08681	2.2
194.05791	3.5
196.93805	1.7
203.03523	3.9
204.04256	1.5
205.05133	3.4
206.05830	5.0
209.08235	5.9
218.05800	2.4
219.02824	2.9
221.08170	3.0
234.05426	2.0
237.07866	2.8
238.04932	1.7
247.02530	2.9
247.06078	3.0
249.07748	3.5
251.09277	2.3
261.07935	1.3
262.04929	5.1
265.07236	44.8
266.07629	3.9
277.07242	17.1
278.07657	2.6
295.08319	65.6
296.08679	5.7
311.23257	1.3
325.09445	2.0
340.26254	1.6
341.11145	10.4
353.21643	1.3
355.10385	19.0
383.09894	8.9
401.10992	100.0
402.11374	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	399.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	2.9
57.03345	10.5
58.00468	2.4
59.01267	29.2
67.01769	1.3
71.01275	45.7
72.99199	15.5
73.02825	5.3
74.57304	1.2
75.00768	37.9
81.03368	1.4
83.01274	5.3
83.04953	1.3
84.90976	1.0
85.02849	57.1
86.03214	1.9
87.00774	36.8
87.04440	2.7
89.02343	10.9
92.02483	1.1
93.03388	1.5
95.01289	3.7
95.04935	2.4
97.02904	2.3
99.00775	6.6
101.02354	12.7
102.99599	1.7
103.00258	10.7
105.01846	49.2
109.02881	5.5
111.00800	12.8
111.04478	2.8
111.08091	1.3
113.02362	17.3
113.05998	4.1
116.01096	3.6
117.01851	2.4
117.03433	1.3
119.03457	2.4
119.04928	2.4
121.06539	3.0
123.00808	1.1
123.04482	1.8
125.02380	3.7
125.05989	1.6
128.72412	1.0
129.01018	1.3
129.01886	15.7
131.03424	1.4
133.01346	2.7
134.03691	4.7
135.02933	15.5
136.05232	8.1
137.02335	1.5
137.09666	11.8
138.10155	1.1
139.00343	1.5
139.07594	4.6
145.02895	2.5
147.02916	1.8
149.06053	1.2
151.07538	5.4
152.08374	2.4
153.01872	1.7
153.09190	3.3
157.01434	1.8
159.03018	1.7
161.04527	3.8
161.09708	4.4
163.03990	3.2
163.11208	1.7
165.05492	1.8
165.09183	4.1
166.99861	1.5
169.01425	2.0
173.04434	1.5
175.02446	11.2
175.07576	1.4
177.05402	1.2
177.09222	4.1
179.10820	1.8
191.10776	1.6
193.01917	1.1
193.03519	6.0
193.05052	1.5
193.08714	1.7
205.03529	14.7
205.12372	3.6
219.10280	6.4
221.11868	2.8
223.04610	50.0
223.06807	2.5
223.13443	4.7
224.05011	2.7
237.11385	2.3
263.12976	1.6
265.14499	1.6
277.26727	1.6
281.13992	3.0
300.99997	2.1
309.13412	1.9
371.17432	1.9
376.82162	1.0
381.15720	4.1
399.16794	100.0
400.17126	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	399.1304
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
52.89890	0.3
55.01771	0.7
58.00471	0.4
59.00994	0.5
59.01268	8.1
67.01777	0.8
68.99689	0.4
71.01273	6.7
72.99184	1.7
73.02847	0.5
75.00760	0.7
79.01807	0.8
83.01269	1.3
85.02847	2.1
85.47703	0.4
87.00757	0.7
89.02340	3.5
95.01268	2.3
96.76105	0.3
96.95907	1.0
97.02854	1.2
99.00783	3.8
101.02345	3.7
105.01846	0.5
107.01308	3.3
109.02861	0.3
110.00004	0.4
111.00809	4.1
113.02355	1.8
119.03442	0.9
119.04947	0.3
122.20947	0.3
123.00806	16.9
124.01629	1.6
125.02367	17.1
126.02693	0.6
127.00298	1.5
129.01912	0.4
136.36639	0.3
136.98734	1.9
137.02420	0.8
137.09662	1.3
137.11110	0.3
139.00314	6.0
140.01111	4.7
141.01880	2.7
149.09622	0.3
151.00310	12.0
152.00690	0.6
153.01892	0.6
154.99779	0.4
164.00934	0.4
165.01941	0.5
168.00584	5.1
169.01382	23.0
170.01741	1.0
177.01945	0.4
177.04024	1.6
206.32700	0.4
211.02419	2.4
229.19473	0.4
244.06125	0.4
261.06104	1.0
271.04642	1.8
277.09485	0.4
311.18747	0.3
313.05682	1.1
329.05127	0.5
332.34277	0.4
399.13019	100.0
400.13300	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	399.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32736	0.2
59.01265	2.2
61.91088	0.3
61.98712	0.4
70.16599	1.0
71.01277	1.3
73.02862	0.3
82.90087	0.3
85.02851	0.5
89.02357	0.5
92.92185	0.3
96.95933	0.5
101.02357	0.7
108.02062	1.7
113.02371	0.6
119.03406	0.2
123.00747	0.3
129.24472	0.2
134.79900	0.3
136.01605	3.6
147.00926	0.2
161.04500	0.3
163.00305	2.8
163.03964	0.4
164.01086	1.6
178.06314	0.6
190.99838	16.0
192.00620	100.0
193.00989	4.6
193.08694	2.2
206.02202	28.8
207.02980	67.2
208.03322	3.0
209.15128	0.3
399.10962	10.3
400.11380	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	4.0
56.57146	1.3
56.78823	1.2
57.03343	2.6
58.00501	1.7
59.01267	36.9
65.19111	1.0
66.25250	1.1
67.01774	1.9
68.99712	2.4
69.03338	2.0
69.36440	10.9
71.01270	57.2
72.99203	5.3
73.02837	16.3
75.00748	2.5
81.03331	1.4
83.01273	8.2
85.02847	33.1
87.00785	7.0
89.02338	20.2
91.03915	1.3
91.05434	8.8
93.03349	1.5
94.85444	1.0
95.01299	7.4
96.95909	21.4
97.02821	1.6
99.00788	7.1
101.02347	38.1
102.02722	1.3
105.01875	2.5
107.01304	1.5
109.02880	2.1
111.00779	7.5
113.02367	34.2
113.03159	1.8
117.03384	3.5
119.03398	9.6
121.02883	6.3
123.00789	2.8
125.02375	7.0
129.01900	2.8
129.54051	1.2
131.03464	1.4
135.04451	13.4
137.02356	1.6
139.00302	3.3
143.03418	2.8
159.02975	3.7
161.02382	1.8
161.04501	24.1
166.99786	3.2
169.01387	7.4
175.85515	1.3
179.03461	1.9
179.05667	2.2
187.47017	1.4
193.01410	1.3
205.07166	3.7
219.10254	3.3
249.06279	1.5
251.11397	100.0
252.11659	5.9
263.07813	11.4
270.74844	1.3
270.98767	1.4
281.08835	23.7
299.99139	1.8
300.99887	3.5
399.12854	18.9
399.16754	2.3
400.13431	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	399.0731
Annotation	Paeciloquinone B
Peak:m/z	Relative Intensity
50.55803	0.3
59.01264	4.0
60.07282	0.2
68.14338	0.2
71.01272	2.6
71.58178	0.2
71.58687	0.4
83.01273	0.3
85.02869	0.5
89.02352	1.8
95.01279	0.3
95.37684	0.2
101.02348	1.3
106.51322	0.2
113.02364	1.2
119.03396	0.8
121.02899	0.3
123.00837	0.3
125.02386	0.4
130.36646	0.3
143.02328	0.2
145.02820	0.3
159.04501	0.3
161.02444	0.4
164.01053	0.5
165.01974	0.3
171.04427	0.3
172.01523	0.4
173.02419	0.3
174.03136	0.6
176.01173	0.4
177.01863	1.4
187.04010	0.5
189.01961	1.1
190.02702	2.6
192.00490	0.3
193.01382	2.6
197.05991	0.3
198.03215	0.5
199.04082	0.4
200.01114	1.0
201.01894	0.5
202.02786	1.3
203.03377	0.5
205.01462	0.8
209.06059	0.4
209.09633	0.3
211.04083	0.3
212.04767	0.4
213.01996	0.4
214.02693	1.0
215.03268	0.4
216.00821	0.4
216.04283	0.5
217.01462	0.3
218.02235	1.8
218.03978	0.3
221.00909	4.9
222.01604	0.4
222.06841	0.3
224.04890	0.6
225.05582	0.9
225.09099	0.3
226.02679	0.4
227.03500	1.4
227.10736	0.3
228.00642	1.6
228.04230	0.5
229.01422	1.2
230.02159	1.3
230.99283	0.4
231.02936	0.6
236.04608	0.3
237.05594	0.4
237.09145	0.3
238.02722	0.3
238.06473	0.3
240.04253	0.3
241.01434	0.3
241.05093	0.9
242.02304	1.9
242.05865	0.3
243.02968	1.1
245.00983	1.1
246.01723	0.9
250.06276	0.3
251.03658	0.3
252.04181	0.4
253.05107	1.1
253.08810	0.6
254.02304	0.7
255.03036	1.0
255.06599	0.3
255.10428	0.5
256.03806	0.5
257.00949	2.2
258.01724	3.1
259.02478	1.3
263.03552	0.7
264.04224	0.3
265.04977	0.3
265.08746	0.5
266.02161	0.4
266.06073	0.3
267.02942	0.6
267.06793	0.3
268.07483	0.3
269.01028	0.4
269.04630	0.8
270.01770	0.7
271.02454	1.5
271.09872	0.4
273.00494	1.8
274.01254	25.6
275.01636	2.2
279.03049	2.3
280.03812	1.1
281.01355	0.5
281.04578	1.8
281.08215	1.1
282.01767	1.0
282.05542	0.4
283.02530	2.3
283.09784	0.9
284.03253	2.1
285.00439	0.6
286.01428	0.6
287.01996	2.2
288.02704	0.9
293.04562	0.8
293.08133	0.3
294.05225	0.6
295.06049	0.3
297.04120	0.6
298.01358	0.3
298.04767	0.4
299.02042	4.4
299.09387	1.0
300.02777	2.6
301.03488	0.4
307.02493	0.6
308.03220	1.6
309.04132	1.3
309.07785	3.7
310.08047	0.4
311.02017	0.5
311.09265	0.8
312.02859	2.1
322.04681	0.4
323.05746	0.9
325.03610	3.0
326.04346	1.4
327.08759	1.0
337.07239	4.1
338.07916	1.6
339.04831	0.4
340.05908	0.8
355.08307	100.0
356.08661	11.5
388.01779	0.2
399.07281	14.7
400.07697	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	398.204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64190	0.4
57.43317	0.5
59.01273	4.8
61.23890	0.4
61.98718	100.0
69.85919	0.5
71.01266	1.4
71.60189	1.0
73.02832	0.7
75.00725	0.5
76.33282	0.5
81.46892	0.5
85.02826	0.9
89.02360	0.7
95.01290	1.4
96.95929	1.2
100.93320	0.5
101.02363	1.0
113.02361	0.7
122.99958	0.7
123.00810	1.9
125.02349	2.5
158.04869	0.5
169.01349	2.8
183.10178	0.5
204.02739	0.5
229.01071	0.5
237.15001	1.0
238.89333	0.5
301.00049	2.3
338.21573	0.8
365.73947	0.5
374.27393	0.6
399.08350	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	397.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01607	1.3
69.24031	0.8
69.24437	5.2
71.01277	1.0
73.25787	0.5
85.02858	0.5
89.02348	1.1
95.87517	0.5
101.02373	0.7
109.06506	5.6
119.03470	0.7
154.12488	0.5
217.00325	0.8
227.16606	1.3
247.97890	0.5
270.98956	1.2
298.98425	0.9
299.99377	1.4
322.99579	0.5
337.23874	3.6
397.05899	1.7
397.27676	0.7
419.63968	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84618	0.4
57.03335	0.6
57.80743	0.4
59.01268	2.8
60.14360	0.3
67.01798	0.7
68.99696	0.4
69.03359	0.5
69.52463	3.0
69.52786	0.3
71.01273	6.2
72.99200	0.9
73.02864	1.7
77.72625	0.3
79.01785	0.6
79.58832	0.3
81.03310	0.6
83.01283	1.3
85.02851	3.9
87.00790	0.4
89.02343	0.8
95.01299	1.7
97.02835	0.5
98.20126	1.5
99.00791	0.7
101.02357	3.0
107.00639	0.4
107.01306	5.1
110.00042	0.4
111.00828	2.2
113.02377	2.8
113.85211	0.4
122.99905	0.7
123.00806	12.8
124.01633	0.7
125.02374	27.9
126.02720	0.7
127.00269	0.4
129.01872	1.0
136.98738	1.0
137.02284	0.4
139.00319	4.0
139.03954	0.5
140.01131	2.4
141.01874	2.3
143.62061	0.5
151.00314	10.7
152.00740	0.4
153.01846	0.7
161.04526	1.5
161.74689	0.4
162.05544	0.4
165.01840	0.4
167.03519	0.4
168.00587	4.0
169.01387	46.6
170.01686	1.8
173.04518	1.2
179.03476	0.5
180.06683	0.4
191.05594	0.6
194.47238	0.4
205.03488	0.4
211.02463	2.4
223.02571	0.9
241.03561	0.7
253.03595	0.8
271.04645	1.4
313.05719	12.8
314.06009	0.8
371.09872	4.0
398.10999	100.0
399.11356	10.3
399.16653	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92706	0.6
57.03315	0.5
59.01254	2.0
65.44622	0.5
71.01248	1.0
71.56446	0.9
75.42154	0.5
78.95779	0.9
81.03336	0.9
85.02845	9.4
87.00767	2.1
93.03378	4.1
96.96867	1.1
107.34194	0.7
109.61694	0.7
111.04437	1.2
122.04558	0.6
127.03921	2.7
148.04076	0.8
173.04546	1.5
191.03728	4.2
191.05583	100.0
192.05917	4.1
209.96677	0.6
235.02534	2.1
306.06964	0.7
329.68195	0.6
397.08026	1.8
398.10992	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68398	0.3
56.85892	0.3
59.01265	100.0
59.37403	0.3
60.01596	0.7
61.98717	1.3
71.01280	0.9
73.02841	0.4
78.95811	1.1
89.02370	0.3
96.95921	0.6
101.02365	0.4
110.42595	0.3
123.04459	0.5
125.02376	0.9
125.56811	0.3
126.48092	0.3
133.06519	18.1
134.06891	0.5
136.25659	0.3
138.01938	0.6
139.52402	0.3
152.99548	1.8
169.01404	0.7
230.06940	0.3
299.99426	0.4
309.85306	0.3
365.14026	0.4
397.05750	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.9
57.03355	0.8
59.01267	6.5
60.64998	0.5
60.95847	0.5
67.01773	2.3
69.03329	1.5
69.61320	3.7
71.01270	6.4
72.99194	1.3
73.02851	0.6
75.00765	1.1
79.01767	2.7
81.03333	0.7
82.02876	46.3
83.01282	1.6
83.03217	1.0
85.02833	2.3
87.00771	1.9
89.02351	1.6
95.01285	4.0
97.02876	1.7
101.02358	2.4
107.01299	15.1
109.02872	0.7
109.99996	1.1
111.00796	5.6
113.02379	1.8
121.02837	0.6
123.00800	29.7
124.01634	4.0
124.03903	0.5
125.02364	57.5
126.02696	2.4
127.00280	1.1
129.01834	0.9
132.96411	0.5
136.98790	2.4
138.03201	0.6
139.00299	8.6
140.01099	8.2
141.01886	3.9
151.00307	16.5
151.01526	0.9
151.03911	0.6
152.00742	0.6
153.01932	1.4
159.02994	0.6
163.03964	1.1
166.99829	1.9
167.03491	1.0
168.00598	11.8
169.01378	73.3
170.01770	3.5
177.01746	0.5
177.03999	4.4
179.03513	0.7
181.01395	1.5
190.05043	3.2
193.01378	0.7
195.85928	0.7
207.02980	0.6
210.01755	1.4
211.02466	20.6
212.02779	1.1
234.04106	3.0
234.06967	0.5
241.03639	2.4
270.03860	11.9
271.04630	11.7
276.05145	2.6
313.05716	9.3
314.06158	0.7
317.39008	0.5
329.05438	1.1
330.06107	1.0
336.07330	8.4
337.07721	0.9
396.09418	100.0
397.09784	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	393.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
59.23735	0.3
60.01608	0.8
69.60406	2.4
71.01270	6.8
72.99135	0.3
73.20886	0.3
81.58152	0.3
85.02868	0.7
87.00800	0.6
87.81211	0.3
89.02338	11.7
95.01293	0.4
101.02340	3.2
107.01244	0.3
113.02366	3.5
114.13647	0.3
119.03425	4.4
125.02394	0.9
129.10139	0.3
131.03423	0.5
143.03465	1.3
149.04529	0.4
161.04553	0.9
169.01425	1.2
179.05569	2.4
188.40073	0.3
235.26143	0.3
243.81841	0.4
260.32626	0.3
317.09641	3.0
317.59775	0.6
393.10159	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
61.30698	36.5
68.11248	31.9
68.97630	35.5
70.81460	100.0
80.70261	29.8
93.44666	30.3
99.97652	32.7
159.85979	34.0
168.30112	31.9
206.24101	36.8
212.16562	32.8
215.80536	35.1
310.44290	34.6
376.71664	36.3
382.58942	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.1
57.03341	1.1
59.01267	100.0
60.01607	1.2
61.98725	1.4
71.01272	14.2
71.10686	0.7
72.99229	0.5
73.02840	5.3
79.39728	0.4
83.01283	1.8
85.02842	5.9
87.00771	0.6
88.35635	0.4
89.02348	3.9
94.07520	0.4
95.01295	0.8
97.02875	0.5
99.00777	2.1
101.02350	15.3
106.02324	0.4
111.00856	0.5
113.02355	6.9
113.03075	0.7
119.03448	1.3
125.02343	0.5
131.03413	0.4
139.00339	0.4
143.03474	1.2
145.02882	0.5
152.81911	0.4
159.02956	1.9
161.04506	15.7
161.05829	0.8
162.04851	0.7
169.01366	0.5
205.03505	0.5
233.11812	0.6
291.30103	0.5
335.20840	37.9
336.21155	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	395.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.8
57.03336	1.4
59.01267	100.0
60.01611	0.6
70.53804	1.4
71.01273	17.6
72.99197	1.1
73.02839	5.4
73.24092	0.4
79.64023	0.4
83.01289	2.7
83.04923	0.5
85.02843	7.0
87.00768	0.5
89.02345	6.7
95.01295	1.7
96.95965	0.6
99.00788	1.7
100.83509	0.4
101.02348	17.1
110.13951	0.4
113.02353	7.8
113.03065	0.6
119.03443	1.9
119.04866	0.6
123.00822	0.4
123.80892	0.4
125.02425	1.2
143.03471	1.2
159.02983	2.3
161.04518	15.3
161.56139	0.6
161.96965	1.2
162.04817	0.5
169.01424	0.9
173.15521	0.5
182.91170	0.4
189.01869	0.7
220.85812	0.4
231.45197	0.4
233.11919	0.6
318.60205	0.8
335.20837	44.4
336.21094	5.1
336.24353	0.5
371.32080	0.5
383.40881	0.5
394.54282	1.3
395.04568	0.6
396.04572	0.9
407.54318	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.7
59.01266	100.0
60.01612	1.1
67.01795	0.5
71.01270	8.4
71.61426	0.5
71.61815	0.6
73.02866	1.0
83.01264	0.7
85.02869	2.5
89.02338	6.8
95.01273	1.0
99.00817	0.9
101.02343	5.8
101.02905	0.5
113.02350	3.1
119.03409	3.1
123.00789	2.7
124.01609	1.8
125.02399	2.1
143.03439	0.8
159.02910	0.5
161.04477	3.1
166.99800	3.6
168.00594	5.0
169.01329	1.2
179.05632	1.5
183.10210	0.6
218.09764	0.5
243.12529	0.9
267.50656	0.5
301.00055	0.5
302.17383	0.6
316.03296	2.9
327.57550	0.5
331.17700	6.7
391.06586	2.6
391.19833	2.4
396.89545	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.9
58.00502	0.4
59.01266	100.0
60.01607	1.3
61.98726	0.6
62.35828	0.4
65.81844	0.4
69.56118	1.0
69.56521	2.4
70.00259	0.5
71.01274	16.6
72.04536	0.4
72.99200	0.6
73.02829	4.3
83.01295	1.9
85.02842	7.3
87.00768	2.6
89.02339	7.8
95.01300	1.4
97.02862	0.6
98.20496	0.9
99.00814	2.5
101.02346	12.2
101.03006	0.7
113.02361	8.6
113.03069	0.8
119.03418	4.4
119.04982	0.6
123.00835	0.7
125.02413	2.9
131.03419	4.6
132.58971	0.4
132.85101	0.5
137.02425	1.3
143.03465	1.1
151.11342	0.5
159.02953	2.2
161.04500	14.2
162.04958	0.6
168.00627	0.6
169.01405	2.6
179.05653	1.3
200.84135	0.4
210.18628	0.5
221.06670	13.3
221.08759	1.0
222.07109	0.6
224.53252	0.4
331.17719	8.6
331.21304	0.6
332.18295	1.3
390.62781	2.7
391.12613	1.8
391.17117	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00479	0.7
59.01265	100.0
60.01598	0.9
69.44803	2.1
71.01273	8.0
72.99212	0.4
73.02859	0.6
77.00768	0.3
85.02839	1.9
86.53425	0.3
87.00790	0.6
89.02338	11.5
95.01277	0.4
98.19285	0.3
98.62127	0.3
101.02354	4.6
107.11607	0.3
113.02354	3.6
119.03413	6.0
125.02366	0.9
125.09626	0.3
131.03448	0.7
137.02444	0.4
143.03468	1.3
149.04523	0.7
155.10742	0.6
161.04498	2.1
166.99863	0.3
169.01431	0.8
179.05571	3.3
199.09814	1.0
207.76576	0.3
216.63391	0.3
229.14357	1.6
301.00092	0.4
303.67920	0.3
313.01196	0.3
316.03357	1.1
331.17590	2.5
391.19901	3.9
392.20087	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	391.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.6
55.46874	0.4
58.00487	0.4
59.01267	100.0
59.48914	0.4
60.01598	1.5
61.98717	0.5
62.67926	0.5
63.98788	0.5
66.12574	0.5
69.59060	3.2
69.98717	0.4
71.01271	8.5
73.02841	2.1
83.01304	1.5
85.02858	2.8
89.02335	3.3
95.01302	1.2
97.02913	0.4
99.00780	1.0
101.02341	5.2
113.02368	3.8
119.03466	1.1
125.02383	1.0
143.03528	0.6
148.82268	0.5
150.03233	0.5
155.10733	0.8
161.04504	5.2
165.05528	0.6
169.01419	0.6
186.06949	0.6
199.09737	0.7
205.03444	0.7
211.13358	0.4
229.14534	1.7
269.72772	0.4
278.68765	0.4
331.17697	7.4
332.18030	0.8
353.52274	0.4
368.51379	0.5
391.19882	11.3
392.20163	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.3
59.01264	100.0
60.01599	1.4
64.77618	0.3
68.99696	0.5
69.43815	0.3
69.44126	2.8
71.01270	7.5
73.02834	1.4
83.01302	1.1
85.02840	3.0
87.00771	0.5
89.02342	6.1
93.03355	5.5
95.01299	2.1
99.00818	0.8
101.02346	5.7
101.03007	0.4
108.02080	6.3
109.02869	8.6
110.03262	0.5
113.02360	3.7
115.71219	0.2
119.03424	2.9
121.02868	0.6
123.00794	2.4
123.04496	0.3
125.02353	2.5
125.11667	0.3
127.44827	0.3
135.04578	0.3
136.01599	0.7
137.02376	14.2
138.02710	0.4
143.03468	0.6
147.04462	0.4
151.03937	0.4
159.02859	0.3
161.04488	1.9
165.05539	0.5
166.99817	1.0
168.00626	0.3
169.01398	1.2
179.05650	1.8
181.05064	0.4
193.62914	0.3
195.06641	0.6
221.04520	0.3
281.06738	10.2
282.07098	1.2
300.99951	0.8
315.52917	0.4
316.03320	0.6
331.17770	1.2
361.13043	0.5
376.15283	0.8
391.10464	14.3
391.17590	2.7
392.11066	1.9
392.18152	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55066	1.1
54.44377	1.0
59.01265	100.0
60.01592	1.9
60.56024	1.2
71.08409	2.2
73.47511	1.3
129.95163	1.2
301.16739	1.5
354.49387	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
66.40015	8.1
66.88836	7.9
67.31609	8.3
71.01258	13.7
71.61298	7.1
71.61773	10.7
72.89879	8.4
93.02470	9.5
103.17973	7.2
128.04677	7.7
255.23125	11.9
345.28146	17.9
389.26645	15.2
389.30823	17.1
389.69446	10.9
412.92328	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	389.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29460	0.6
57.03346	1.1
58.00487	1.3
59.01266	100.0
60.01604	1.7
70.12296	3.4
71.01273	21.8
71.42834	0.6
71.73105	0.6
73.02847	2.3
83.01280	2.0
85.02832	5.3
87.00795	1.8
88.32991	0.7
89.02341	25.1
93.03383	1.0
95.01306	1.8
95.71697	0.6
96.95930	0.9
101.02342	15.1
109.02835	1.1
113.02353	8.7
119.03432	8.7
125.02428	1.0
131.03473	0.8
137.02419	1.9
143.03471	3.1
151.03998	0.7
153.09175	1.2
154.09508	1.1
155.09825	0.9
161.04541	5.7
169.01413	1.6
179.05556	7.2
191.05595	3.7
209.11852	0.7
225.15050	1.6
226.15367	1.7
227.15604	2.0
327.03574	0.8
341.06741	0.7
384.85507	0.7
389.08499	1.7
389.17670	1.2
389.22055	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	389.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.5
57.03356	0.4
58.00500	0.2
59.00992	0.2
59.01268	3.7
64.27151	0.2
65.00201	0.3
67.01781	0.8
68.99707	0.3
69.03346	0.5
71.01267	5.8
71.19965	0.2
72.99200	0.9
73.02831	2.2
75.00779	0.3
79.01785	0.9
81.03391	0.2
83.01276	1.6
85.02845	3.8
87.00766	0.9
89.02324	1.2
95.01289	2.0
97.02833	0.9
99.00763	0.9
101.02345	5.1
107.01284	3.4
109.02908	0.2
109.99979	0.3
111.00782	2.8
113.02349	2.5
119.03445	0.3
123.00799	16.2
124.01659	0.9
125.02365	16.0
126.02692	0.6
127.00301	0.9
135.04422	0.2
136.98740	1.6
137.02412	0.4
139.00299	5.3
139.03893	0.2
140.01080	3.8
141.01883	2.6
151.00307	13.5
151.03938	0.5
152.00706	0.7
153.01834	0.6
154.99826	0.3
159.02911	0.3
161.02350	0.2
161.04509	0.6
163.03923	0.4
165.05504	0.2
166.02644	0.2
166.99803	0.7
167.03433	0.5
168.00586	4.1
169.01376	23.5
170.01735	1.1
179.03484	0.5
181.04990	0.4
187.92004	0.2
195.02872	0.2
209.04639	0.2
209.08223	0.2
211.02505	0.7
223.02504	0.4
253.03593	0.5
267.26910	0.2
271.04581	0.7
302.03497	0.2
313.05621	1.9
316.03381	0.7
389.10959	100.0
390.11304	9.3
394.00308	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1464
Annotation	Reptoside
Peak:m/z	Relative Intensity
51.59778	1.2
55.01755	3.8
57.03323	2.8
59.01267	37.0
65.27413	1.4
66.23296	1.4
67.01764	1.6
69.50520	10.2
71.01271	38.1
72.99191	1.8
73.02841	10.8
81.07917	1.4
83.01276	6.2
85.02843	21.0
87.00764	5.0
89.02350	17.8
95.01301	3.4
97.02867	1.6
99.00782	4.2
101.02346	35.8
109.02857	4.5
113.02355	19.4
119.03452	9.2
125.02371	3.4
126.82618	1.5
131.03419	3.3
137.02376	42.3
138.02934	1.5
143.03398	1.6
149.28679	1.5
151.03917	1.5
152.04732	19.6
153.05470	2.9
159.02867	2.4
161.04495	9.4
166.03313	1.8
167.07085	4.9
170.02589	1.5
175.03773	1.4
179.03424	6.0
179.05560	2.8
184.03780	5.2
193.04994	2.7
194.05756	3.8
197.04625	2.8
209.08194	10.5
212.06895	29.1
213.07307	2.5
221.06633	4.6
227.09258	100.0
228.09650	6.3
268.99023	1.5
283.60806	1.4
316.36353	1.5
389.14636	97.6
390.15005	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	387.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59072	15.8
54.79726	19.7
59.01270	100.0
61.81369	14.9
61.98687	16.4
62.37934	14.9
71.01246	27.9
71.41196	36.6
101.02334	24.9
158.29607	19.6
163.90852	20.4
401.68134	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01276	100.0
71.01270	44.2
71.56930	25.1
89.02349	27.8
101.02340	25.1
102.49847	15.3
104.08205	13.2
113.02369	15.2
207.97411	18.0
225.15157	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	387.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01618	0.7
61.98727	0.6
62.84403	0.3
70.11308	0.9
70.11714	1.1
71.01279	0.6
73.02869	0.4
89.02335	0.7
93.07011	0.6
98.20606	0.4
111.08060	0.8
120.54986	0.3
126.34603	0.3
141.01648	1.1
145.02910	1.1
218.26324	0.3
231.17513	0.4
247.20715	0.4
251.03168	0.3
285.22522	0.4
325.25580	1.9
327.29178	0.7
343.26587	1.0
345.24493	1.5
346.24963	0.4
387.21317	0.7
387.25534	9.3
388.25946	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2037
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
55.01773	1.8
55.44653	0.3
56.51564	0.2
57.03047	0.4
57.03339	13.2
58.00469	0.7
59.01269	13.8
68.09706	0.2
69.03344	2.4
69.28297	0.2
69.48251	1.9
71.01274	23.6
71.04906	2.7
72.99196	0.7
73.02438	0.4
73.02837	6.0
73.54195	0.2
75.00752	0.5
81.03339	0.3
83.01280	2.2
83.04906	0.8
85.02344	0.6
85.02847	9.3
87.00797	1.4
88.42308	0.2
89.02340	7.3
95.01305	1.9
95.04916	0.5
97.02845	0.9
97.06507	0.7
98.20656	0.3
99.00786	2.3
101.02356	12.9
102.02676	0.3
109.06524	1.8
111.00800	0.5
113.02362	9.3
114.02721	0.3
119.03431	2.6
121.06519	1.0
121.10140	1.1
123.00814	0.8
123.08078	3.4
125.02370	1.1
125.09644	0.6
129.01846	0.3
131.03389	0.3
135.04530	0.5
135.08070	0.4
135.60666	0.3
137.09665	9.3
138.06779	0.7
138.10019	0.3
141.01698	0.3
143.03436	1.1
147.08089	0.4
149.09685	0.5
151.00314	0.3
151.07600	0.6
151.11218	3.7
153.09149	1.9
153.12788	6.1
154.13138	0.3
159.02951	2.3
161.04515	11.3
162.04832	0.5
163.11247	3.9
167.10641	0.3
169.01425	0.5
177.12807	0.5
179.05592	0.6
179.10756	0.4
179.14380	1.8
181.12302	4.4
189.12804	0.8
191.10779	0.5
195.13895	9.9
196.14265	0.7
197.15454	10.2
198.15741	0.7
205.03610	0.4
205.12350	1.0
207.13907	7.4
208.14206	0.7
225.14981	100.0
226.15309	7.1
241.14491	0.9
274.11084	0.3
299.99283	0.6
300.99924	0.6
350.13849	0.3
387.13022	3.1
387.20383	16.0
388.13565	0.4
388.20795	2.0
412.56885	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.8
57.03340	11.6
58.00488	0.5
58.75115	0.2
59.01268	10.7
61.98710	0.3
69.03344	1.9
69.73084	0.9
71.01276	19.0
71.04910	2.9
71.55161	0.2
72.01605	0.5
72.99194	0.9
73.02837	5.1
75.00755	0.4
77.13300	0.2
79.86160	0.2
81.03359	0.2
83.01296	1.7
83.04910	0.6
85.02847	8.3
87.00793	0.7
87.59669	0.2
89.02340	4.0
89.02840	0.4
95.01299	1.5
95.04963	0.3
97.02885	0.7
97.06481	0.8
99.00784	2.1
99.04440	0.4
101.02351	10.4
102.02696	0.3
107.01256	0.3
107.04926	0.7
109.06504	1.5
113.02360	8.3
114.02682	0.3
119.03397	1.6
119.04897	0.2
121.06503	0.9
121.10149	0.9
123.00803	0.4
123.08079	3.2
125.02386	1.3
125.09627	0.5
131.03426	0.3
134.03703	0.6
135.08093	0.5
137.09657	11.1
138.09976	0.7
139.00330	0.5
141.01845	0.2
143.03419	0.9
147.08084	0.3
149.02420	0.3
149.09673	0.3
151.00261	0.4
151.07588	0.4
151.11221	4.1
153.09149	0.6
153.12808	5.5
159.02887	1.9
161.04520	10.1
161.09573	0.2
162.04912	0.3
163.11240	4.4
165.09177	1.4
168.00638	0.3
169.01410	0.9
177.01942	0.2
177.12878	0.3
179.10722	0.6
179.14404	1.9
181.12331	4.4
182.12686	0.2
188.07721	0.2
189.12865	0.6
191.10768	0.4
193.04965	0.3
195.12059	0.3
195.13895	10.3
196.14240	0.7
197.15465	10.8
198.15843	0.5
205.03531	0.7
205.12384	0.6
207.13895	7.5
208.14191	0.6
225.14983	100.0
226.15335	7.3
241.14569	0.7
299.99133	0.3
387.12680	1.0
387.17227	0.4
387.20844	2.0
388.03156	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11067	0.5
50.11315	0.5
50.76474	0.5
55.01769	3.9
57.03334	8.3
58.00478	0.8
59.01265	18.6
67.31259	0.5
69.03319	1.3
71.01270	100.0
71.04913	8.4
71.59579	0.5
72.01620	1.4
72.99194	2.2
73.02836	26.2
75.00752	1.2
83.01276	9.2
83.04925	0.7
84.02042	0.6
85.02843	40.6
86.03188	0.9
87.00774	3.8
89.02348	9.2
89.80609	0.6
95.01294	7.3
95.04932	0.6
96.95945	0.8
97.02868	2.2
99.00786	12.7
99.04413	2.5
101.02348	52.4
101.05997	0.5
102.02715	1.0
109.02826	1.0
109.06553	0.5
113.02359	40.1
114.02666	1.0
115.03889	0.9
119.03415	2.3
123.08082	4.6
125.02379	4.1
125.05998	1.1
125.09610	1.4
127.00256	0.6
129.01863	1.8
131.03429	0.6
136.01582	2.5
136.05237	4.0
137.02422	1.4
137.05907	0.6
137.09642	5.8
138.10013	0.7
139.00342	0.7
139.07628	0.6
143.03429	5.9
151.00291	1.4
151.03903	4.2
151.07625	1.7
151.11223	7.6
153.09154	5.7
153.12769	1.8
155.10779	2.8
159.02943	10.9
160.03265	0.9
161.04501	70.6
162.04880	3.3
163.11250	4.6
165.09178	1.0
166.02618	1.4
167.10742	1.1
169.01324	0.8
179.05563	0.5
179.14357	0.9
181.05028	1.6
181.12305	6.1
189.12889	1.0
195.13895	10.4
196.76173	0.6
197.15446	3.1
205.03445	2.7
206.12735	0.8
207.13893	4.4
223.13434	1.3
224.13756	0.7
225.14963	48.5
226.15329	3.0
245.01009	0.7
255.16051	0.6
315.18152	3.7
343.08594	1.0
357.10141	0.8
372.12320	0.7
387.07358	1.2
387.14938	1.9
387.20349	10.9
388.20859	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.8
57.03340	11.6
58.00488	0.5
58.75115	0.2
59.01268	10.7
61.98710	0.3
69.03344	1.9
69.73084	0.9
71.01276	19.0
71.04910	2.9
71.55161	0.2
72.01605	0.5
72.99194	0.9
73.02837	5.1
75.00755	0.4
77.13300	0.2
79.86160	0.2
81.03359	0.2
83.01296	1.7
83.04910	0.6
85.02847	8.3
87.00793	0.7
87.59669	0.2
89.02340	4.0
89.02840	0.4
95.01299	1.5
95.04963	0.3
97.02885	0.7
97.06481	0.8
99.00784	2.1
99.04440	0.4
101.02351	10.4
102.02696	0.3
107.01256	0.3
107.04926	0.7
109.06504	1.5
113.02360	8.3
114.02682	0.3
119.03397	1.6
119.04897	0.2
121.06503	0.9
121.10149	0.9
123.00803	0.4
123.08079	3.2
125.02386	1.3
125.09627	0.5
131.03426	0.3
134.03703	0.6
135.08093	0.5
137.09657	11.1
138.09976	0.7
139.00330	0.5
141.01845	0.2
143.03419	0.9
147.08084	0.3
149.02420	0.3
149.09673	0.3
151.00261	0.4
151.07588	0.4
151.11221	4.1
153.09149	0.6
153.12808	5.5
159.02887	1.9
161.04520	10.1
161.09573	0.2
162.04912	0.3
163.11240	4.4
165.09177	1.4
168.00638	0.3
169.01410	0.9
177.01942	0.2
177.12878	0.3
179.10722	0.6
179.14404	1.9
181.12331	4.4
182.12686	0.2
188.07721	0.2
189.12865	0.6
191.10768	0.4
193.04965	0.3
195.12059	0.3
195.13895	10.3
196.14240	0.7
197.15465	10.8
198.15843	0.5
205.03531	0.7
205.12384	0.6
207.13895	7.5
208.14191	0.6
225.14983	100.0
226.15335	7.3
241.14569	0.7
299.99133	0.3
387.12680	1.0
387.17227	0.4
387.20844	2.0
388.03156	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.167
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01771	0.3
57.03348	0.7
58.00484	1.0
58.28899	0.3
59.01269	55.9
60.01596	0.8
69.03348	0.4
69.30609	0.5
69.31010	2.8
71.01275	14.0
71.30133	0.2
72.99198	1.5
73.02845	0.6
75.00794	0.3
78.95799	14.2
79.95649	0.7
80.91602	0.2
83.01284	1.6
83.04920	0.4
85.02840	3.3
87.00784	0.8
89.02345	11.4
93.03367	1.1
95.01286	1.7
95.04967	0.4
96.95923	35.4
96.96873	33.9
97.02892	0.7
98.02391	2.9
99.00792	0.8
99.66701	0.3
101.02350	8.5
107.04923	0.3
109.02839	1.9
111.00819	0.7
113.02370	5.5
119.03424	4.4
121.02883	0.7
123.00829	0.7
123.04481	1.5
125.02377	2.8
135.04449	0.4
137.02390	2.5
139.00296	0.6
139.03954	0.5
141.01866	0.5
143.03427	0.3
147.04395	0.3
149.02335	0.7
151.00323	0.6
151.03914	1.2
153.01952	1.4
153.02953	0.3
159.04478	0.3
161.04547	0.3
163.00342	0.3
163.03938	0.4
163.11252	4.3
164.01147	0.3
165.01913	0.5
165.87006	0.2
167.03540	0.4
169.01378	0.6
173.04546	0.3
175.03915	0.3
177.01929	0.5
179.03432	0.6
179.05591	0.6
183.02937	0.3
187.03986	0.4
191.05595	0.5
203.07152	0.6
205.05037	0.6
207.10263	10.7
208.10551	0.9
225.07671	0.7
245.08247	1.5
269.07724	0.4
279.40295	0.3
289.04092	0.5
289.07269	8.0
336.05209	0.3
344.07678	0.4
369.15588	0.4
387.16708	100.0
387.55078	0.4
388.17072	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	387.1672
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
50.66346	0.3
57.03337	0.7
59.01269	5.6
61.98725	0.5
66.00784	0.3
69.03340	0.4
70.53798	1.2
71.01273	4.5
72.99163	0.5
73.02839	2.1
75.32402	0.3
83.01273	0.5
85.02844	2.8
86.42392	0.3
87.00748	0.6
89.02328	3.7
95.01288	0.9
95.04931	1.4
96.95902	0.5
98.19901	0.3
99.00774	0.6
101.02347	3.2
107.04923	0.3
109.02922	0.4
109.06492	0.6
113.02364	4.6
119.03403	0.6
123.00823	0.4
123.04441	0.5
125.02370	0.9
137.06001	0.7
141.01875	0.5
143.03500	0.4
159.09995	0.3
161.02406	0.4
161.04567	1.5
161.05722	0.3
161.09665	0.8
163.11243	3.3
165.09232	0.5
169.01411	0.6
177.01801	0.3
179.05592	0.7
179.07133	0.4
179.10742	0.8
180.05782	2.3
181.06551	5.4
181.12312	12.5
182.06871	0.4
182.12624	0.8
183.04489	3.8
197.05984	0.3
205.12349	0.4
207.13930	0.4
223.13390	0.9
224.06874	0.6
225.05582	51.0
225.11325	100.0
226.05901	4.5
226.11670	7.3
249.11339	2.4
267.12524	1.4
289.00012	0.5
290.00772	0.8
311.07990	0.5
327.14526	0.6
387.07346	0.8
387.16531	1.4
387.20975	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03349	2.7
59.01271	2.5
67.01797	0.6
69.03362	0.9
71.01266	1.6
78.17233	0.4
81.03339	2.6
83.01275	3.3
85.02843	1.2
85.96525	0.5
89.02346	1.0
89.12914	0.5
93.03356	1.9
95.01282	0.7
95.04944	3.4
97.02859	9.2
101.02341	1.3
104.02584	1.3
108.02080	1.2
109.02863	28.1
110.03198	1.0
111.00801	0.5
113.02363	0.7
117.03307	0.6
121.02894	3.8
122.03658	0.8
123.00787	0.7
123.03529	1.0
123.04440	19.8
124.04780	0.5
125.02375	19.4
126.02740	0.7
135.04453	1.8
135.08080	1.1
137.01385	0.8
137.02376	11.8
137.06070	0.5
138.03131	1.2
139.03951	4.5
143.04916	0.6
145.02876	1.6
146.03650	1.4
148.01595	0.8
149.02370	6.2
149.05959	0.6
150.03081	1.3
151.03952	12.1
152.04303	0.7
159.04460	3.5
160.05235	1.4
161.02359	1.7
161.04562	1.2
161.06001	7.9
162.03142	2.5
163.03984	1.4
164.01074	3.2
165.01872	4.8
166.02620	0.8
167.03448	2.3
173.06036	1.4
175.03969	3.1
175.07515	2.3
176.01149	2.3
177.01717	3.3
177.05484	1.9
178.02115	2.6
179.02092	1.0
179.03609	6.5
179.07068	2.0
185.06058	1.0
186.06728	0.6
187.04002	5.6
188.04733	5.2
189.05431	0.6
191.07161	1.4
193.08659	0.6
196.21004	0.5
201.05582	0.8
202.06329	2.7
203.07124	19.4
204.07494	1.0
204.16064	0.5
205.05061	13.8
206.05400	1.0
212.04745	0.8
217.05118	0.6
217.08710	0.8
219.06589	1.0
220.26866	0.5
221.08209	4.0
227.07124	3.0
229.05136	0.8
229.40871	0.6
230.05890	1.3
231.03035	1.2
233.08153	0.9
245.08220	23.3
246.08549	1.4
247.06165	2.6
271.06259	1.2
289.07251	100.0
290.07550	8.0
299.12921	2.0
311.09695	0.6
325.14767	0.5
343.11942	14.8
343.15399	0.7
344.12299	0.8
369.13474	1.4
387.14587	52.4
387.19751	1.8
388.14865	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	387.1307
Annotation	N5-Dinitrophenyl-L-ornithine methyl ester
Peak:m/z	Relative Intensity
54.58369	0.3
55.01762	1.2
57.03333	1.0
58.00479	0.9
59.01268	12.5
61.46133	0.2
61.65139	0.3
64.91746	0.3
65.00203	0.6
67.01787	1.2
68.99705	0.4
69.03342	0.9
71.01273	15.1
71.09234	0.8
71.26338	0.3
72.01620	0.4
72.99195	1.5
73.02837	4.3
79.01800	0.8
81.03352	0.3
82.62475	0.3
83.01283	3.8
85.02850	6.8
85.99970	0.5
87.00754	1.3
89.02342	4.5
95.01299	2.9
97.02854	1.3
99.00797	2.3
101.02349	12.5
102.02757	0.3
102.82666	0.3
107.01299	3.4
107.21217	0.3
109.02827	0.3
111.00809	3.2
113.01617	0.5
113.02357	6.6
119.03427	1.9
121.02962	0.3
123.00804	16.9
124.01575	1.1
125.01441	0.7
125.02367	14.4
126.02671	0.5
127.00303	1.3
136.98720	1.9
139.00314	5.9
140.01102	4.8
141.01898	2.5
143.03426	0.8
151.00313	13.1
152.00644	0.5
153.01918	0.8
154.99779	0.3
159.02911	1.0
161.02444	0.3
161.04510	6.5
163.03998	0.3
168.00615	5.1
169.01385	17.7
170.01706	0.7
179.05551	0.5
207.13910	0.3
225.14967	3.9
245.50470	0.3
301.99948	0.3
313.05774	0.8
317.22928	0.3
387.13080	100.0
387.20197	7.7
388.13400	11.3
388.20969	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1307
Annotation	N5-Dinitrophenyl-L-ornithine methyl ester
Peak:m/z	Relative Intensity
55.01764	1.8
57.03337	4.6
58.00484	1.0
59.01265	30.9
59.40551	0.5
68.35831	0.5
68.99728	0.6
69.03339	1.4
71.01273	28.4
71.04913	0.8
72.99193	2.0
73.02837	6.8
75.00780	0.7
77.12513	0.5
79.01778	1.0
83.01283	3.6
85.02844	11.8
85.99992	1.0
87.00783	1.8
89.02341	16.3
90.60865	0.5
95.01282	3.5
97.02838	0.7
98.20567	1.3
99.00779	2.8
101.02347	22.3
107.01294	2.2
111.00751	2.9
113.02356	12.7
119.03414	6.5
123.00795	16.9
123.08035	1.0
124.01639	1.1
125.01450	0.8
125.02370	13.1
127.00288	0.9
131.03381	0.8
136.98721	2.1
137.09673	2.9
139.00311	6.3
140.01132	2.9
141.01884	3.1
151.00308	14.7
151.11186	1.3
152.00671	0.7
153.01927	1.0
153.12794	1.7
154.99814	0.7
159.02950	1.6
161.04552	4.2
161.57591	0.5
163.11224	2.0
168.00583	6.5
169.01385	21.6
170.01723	1.0
179.05551	0.6
179.14398	1.1
181.12288	1.5
195.13922	3.8
197.15477	5.0
205.12366	0.8
207.13875	3.9
225.14978	37.1
226.15300	1.7
228.26021	0.5
275.96188	0.6
313.05460	0.9
387.13016	100.0
387.20340	39.2
388.13306	8.4
388.20599	4.2
405.15799	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89789	0.3
55.01771	0.5
59.01277	2.7
59.89474	0.3
67.01777	0.9
68.99673	0.3
69.03336	0.6
70.19534	1.2
71.01271	7.9
72.99207	0.8
73.02841	3.4
75.00773	0.3
79.01804	0.8
81.03329	0.4
83.01273	1.2
85.02842	4.7
87.00773	1.7
89.02328	0.7
95.01306	1.8
96.99214	0.3
97.02873	0.8
98.20359	0.6
99.00789	1.3
101.02354	6.2
107.01295	3.0
107.04929	0.5
111.00789	2.3
113.02355	3.7
123.00808	17.0
123.04451	0.7
124.01599	0.7
125.02372	19.4
126.02701	0.5
127.00304	0.9
129.01866	0.4
135.04442	0.3
136.98724	1.2
137.02348	0.6
139.00316	5.8
140.01117	3.3
141.01892	3.4
145.04988	0.5
147.68442	0.3
151.00311	18.8
151.03949	1.0
152.00639	0.6
153.01863	0.6
156.22079	0.3
159.02985	0.5
161.04486	1.1
163.03987	0.7
165.05452	0.5
166.99876	0.3
167.03525	0.3
168.00609	5.6
169.01381	37.5
170.01718	1.8
173.04480	0.6
177.01880	0.5
179.03424	0.6
181.05064	0.7
191.05533	2.3
193.04999	0.4
195.03076	0.4
211.02371	0.4
223.02455	0.5
224.02835	0.4
253.03624	0.9
313.05692	3.0
326.23486	0.3
367.71573	0.4
387.09427	100.0
388.09723	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	387.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	8.1
58.00502	1.1
59.01262	13.7
59.25481	0.9
61.98718	31.9
67.01778	3.5
69.03300	1.1
71.01273	6.1
71.59278	1.8
72.99191	3.5
77.03857	0.9
81.03345	3.5
81.68980	1.0
82.93970	1.0
83.01273	4.2
83.04921	1.4
85.02841	9.0
87.00768	3.3
89.02364	2.5
93.03361	30.9
94.03701	1.5
95.04913	2.5
96.95941	5.1
97.02846	3.1
101.02334	1.8
105.03371	1.6
107.04939	4.8
108.02090	6.5
109.02853	4.2
111.04416	3.3
113.02348	2.2
119.04938	2.8
121.02895	5.1
122.36327	1.0
123.04443	13.7
125.02373	100.0
126.02688	2.4
133.02904	8.0
134.03629	1.1
135.04468	6.4
137.02393	5.7
137.05902	1.7
139.00314	1.4
139.03920	1.6
149.02397	11.0
151.03951	18.3
151.78096	1.1
152.04326	1.2
155.03387	2.5
160.34180	1.0
161.04485	1.3
163.03934	3.4
163.11266	1.4
165.01906	2.2
165.05496	3.2
166.02609	1.1
167.03403	1.2
173.04515	60.6
174.04858	3.0
177.01804	1.3
178.02675	1.3
179.03473	3.7
181.05013	3.6
191.05595	37.4
192.03130	1.2
192.05930	2.2
193.56718	1.2
195.02924	1.9
202.10150	1.0
207.02985	1.0
213.04036	2.1
225.04266	5.0
225.07692	16.7
226.07922	1.2
287.07837	2.9
337.09442	2.5
343.13776	1.1
387.04703	1.4
387.09259	4.4
387.13245	2.9
387.17145	2.5
405.22079	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19553	0.7
59.01264	17.7
69.52626	4.9
69.65125	0.7
71.01271	14.9
72.99197	0.7
73.02828	2.8
83.01289	1.8
85.02842	4.6
87.00735	0.7
89.02334	10.1
91.02003	0.7
93.03319	0.8
93.03842	0.7
99.00774	1.2
99.01846	0.9
101.02347	8.3
101.05346	0.7
106.02916	0.7
108.04455	3.8
111.00794	1.4
113.02357	6.1
119.03394	3.5
119.04937	1.1
122.06022	3.3
123.00770	1.3
123.04427	1.1
125.02369	2.2
132.04485	1.8
134.06038	1.1
136.03941	0.7
137.02356	2.3
145.05223	0.9
146.06042	0.7
147.03217	0.8
150.05510	1.4
151.00311	1.6
159.03023	1.0
160.03996	18.4
161.02345	0.9
161.04520	4.8
162.05513	2.1
169.01360	1.6
175.02731	1.3
176.03439	1.3
176.04855	1.0
176.07091	0.8
178.05081	1.1
179.05588	0.9
180.05777	0.9
181.05083	1.2
181.06577	2.3
183.04480	1.9
186.01984	0.9
188.03529	9.6
189.04114	0.8
190.05118	2.3
191.07144	1.4
201.01996	0.8
204.03000	6.0
207.13931	1.8
210.05721	0.9
210.07988	1.0
211.08746	1.3
211.12381	0.9
212.07262	1.9
218.04582	13.2
219.05109	0.7
220.06174	1.2
224.04907	1.1
224.07231	0.8
225.05563	30.9
226.03929	0.7
226.05975	2.5
227.08443	1.1
239.08209	1.2
239.11913	4.2
240.05431	1.6
240.10294	2.3
241.06091	1.4
241.09810	1.1
243.11560	1.1
251.08282	2.4
252.09052	3.0
253.06310	1.2
254.07089	1.7
255.07761	3.0
265.09619	0.9
266.08170	0.9
267.07846	2.4
267.11398	15.5
268.09772	4.3
269.09384	4.6
278.07086	1.1
281.05688	11.8
282.06097	1.7
283.07236	2.1
283.10971	3.9
293.09402	1.8
294.07431	1.1
295.07275	4.9
296.08182	5.9
297.08578	1.1
306.05255	0.8
309.08762	3.6
311.10446	100.0
312.10751	10.5
315.09814	1.5
337.08398	10.8
342.12076	0.8
343.13083	2.3
355.09436	40.7
356.09805	4.5
373.03735	0.8
387.12140	21.5
387.20078	8.1
388.12469	2.8
388.20496	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31816	1.5
57.03339	2.1
59.01265	17.1
61.98718	4.1
64.20563	1.6
65.00188	2.0
67.01773	6.9
69.03337	2.6
71.01261	12.6
71.57948	2.9
72.09183	1.5
72.99210	3.2
78.95792	6.4
81.03355	3.8
83.04902	1.7
85.02844	14.6
87.00776	3.2
89.02348	4.7
93.03357	46.5
95.01293	5.9
95.04926	6.5
96.95919	32.5
96.96868	10.9
97.02867	2.1
97.18122	1.7
99.00761	2.4
99.04415	2.2
101.02376	3.1
105.03390	2.4
106.04139	2.2
107.04945	6.6
108.02080	10.4
109.02856	7.3
111.00783	4.2
111.04420	6.4
113.02345	3.1
117.09463	1.7
119.04962	3.4
121.02886	5.3
123.04434	25.7
125.02345	4.2
127.03938	3.5
133.02887	12.2
135.04456	8.5
137.02368	12.6
139.00278	4.3
149.02365	3.8
151.03951	26.0
155.03465	4.4
163.03889	3.7
163.11176	2.7
164.01180	1.5
169.01353	2.2
173.04518	100.0
174.04851	6.4
177.02000	2.5
178.02742	1.7
179.03464	3.7
181.05128	2.1
191.05597	44.5
191.07343	2.3
195.02864	2.2
199.58563	1.9
213.04039	3.5
289.07309	2.6
337.09256	3.7
387.09277	6.3
387.17218	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	387.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25121	1.5
55.22685	1.8
57.03317	1.8
59.01251	5.8
67.01781	4.3
71.01258	5.8
71.60612	3.0
72.99199	7.2
75.02004	1.6
81.03358	3.7
83.01287	3.5
83.04918	2.8
85.02846	19.1
87.00789	5.8
89.03848	2.2
91.84250	1.7
93.03360	25.5
95.01278	4.0
95.04936	3.8
97.02819	2.1
101.02344	1.8
105.03360	3.7
107.01269	1.9
107.04927	9.7
108.02084	15.0
109.02896	8.3
111.00754	1.9
111.04420	7.8
113.02325	1.7
119.04929	11.4
119.27596	1.7
121.02854	8.3
123.00781	8.2
123.04426	26.2
125.02356	10.1
127.03896	4.7
133.02876	16.9
134.03673	3.1
135.04427	15.1
137.02388	3.1
139.00284	3.1
141.01839	1.7
149.02354	3.4
151.00380	2.1
151.02826	2.6
151.03955	34.0
152.04283	2.0
153.01849	2.6
155.03421	5.5
163.03961	11.2
166.99745	2.5
169.01366	6.8
169.04973	2.5
173.04517	19.2
177.01932	10.2
179.03452	13.7
191.05582	100.0
192.05971	4.1
195.02948	6.9
213.04022	5.8
337.09299	4.0
353.08652	3.9
387.09460	28.3
388.10147	6.1
401.44888	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	5.2
61.98710	1.3
71.01276	1.4
72.01408	0.4
72.52723	0.5
73.02837	0.5
85.02845	1.3
89.02341	1.3
91.03897	1.6
98.20570	1.1
101.02321	1.0
113.09630	0.9
115.07593	0.7
121.02863	1.6
127.07521	0.5
128.08353	0.5
139.14554	0.5
153.09180	0.7
161.04463	0.5
167.14368	3.4
183.13904	3.0
193.07169	0.8
195.13890	12.7
196.14279	0.7
201.74391	0.5
211.13503	1.1
213.15009	0.9
229.47083	0.7
242.15289	0.9
249.22272	1.3
267.23203	0.7
283.22891	0.6
293.21320	9.5
294.21707	1.0
300.99982	1.8
311.22357	100.0
312.22684	12.0
325.11334	0.8
385.26028	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64652	0.2
55.01768	2.3
57.03077	0.3
57.03339	3.6
58.00484	2.9
59.01266	52.8
60.01603	0.6
68.99716	0.3
69.03337	0.9
69.56871	0.1
71.01272	72.9
71.16810	0.3
72.01614	1.1
72.98781	0.2
72.99197	4.0
73.02839	12.0
73.91115	0.2
75.00758	1.0
75.51559	0.2
81.03367	0.3
83.01279	5.5
83.04928	1.3
84.02047	0.4
85.02846	23.9
86.03195	0.5
87.00776	3.3
89.02341	31.7
90.02691	0.5
93.03349	0.3
95.01285	4.9
95.04931	1.9
97.02853	6.4
97.06488	0.5
98.03156	0.2
99.00782	5.5
99.04390	0.2
101.02350	34.5
102.02695	1.1
105.07007	1.2
107.04951	0.8
108.05722	2.7
109.02853	1.1
109.06526	1.9
111.00778	0.3
111.04439	1.4
111.08051	0.8
113.02362	27.6
113.05993	3.8
114.02681	0.9
114.06306	0.2
115.00326	0.4
115.03973	0.3
115.30505	0.2
119.03429	11.4
119.04861	0.5
120.03699	0.2
121.02871	1.3
121.06532	0.9
122.03677	1.8
123.04463	0.3
123.08082	5.5
124.01548	0.2
124.08415	0.2
125.02365	1.2
125.06002	2.8
126.06380	0.2
127.12552	0.2
129.01871	0.8
131.03416	1.3
133.01321	0.3
135.08101	0.9
136.05240	3.9
137.06026	1.9
137.09587	0.3
138.06802	25.2
138.58954	0.2
139.03935	0.3
139.07600	11.1
140.07893	0.4
143.03439	3.4
147.08112	1.0
149.02365	0.3
149.04491	0.7
149.06004	1.3
150.06799	0.2
151.07596	24.1
152.04814	2.5
152.07054	0.4
152.08376	46.2
153.09154	100.0
154.09485	4.7
159.02942	4.6
161.04506	20.0
161.05634	0.3
161.09642	1.0
162.04878	0.5
163.11229	3.9
164.08348	0.2
164.11633	0.2
165.05502	0.2
165.09171	2.4
167.07101	1.8
170.05750	0.3
171.08095	0.3
175.00348	1.0
175.07635	0.4
177.01849	0.4
179.05603	3.2
179.07146	0.3
179.10770	0.4
187.11234	1.0
189.01982	0.2
189.09216	1.1
190.02722	2.5
190.09958	2.0
191.03114	0.2
205.03493	0.7
205.05057	3.3
205.12329	33.7
206.05525	0.2
206.12669	2.7
207.03078	0.2
223.06131	0.6
223.13400	18.4
224.13777	1.3
229.12230	0.3
233.10303	0.3
243.33514	0.2
265.07245	0.5
295.08414	0.2
314.53839	0.2
325.09396	0.3
341.06381	0.3
365.87238	0.2
385.11716	0.8
385.18759	10.1
386.19098	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.0
55.46239	0.3
57.03345	1.9
58.00491	0.9
59.01266	20.1
69.03343	2.6
71.01273	18.3
72.99200	2.5
73.02831	3.8
75.00742	1.8
79.05418	0.6
81.03367	0.5
81.06998	1.2
83.01271	1.0
83.04944	0.7
85.02848	8.9
87.00774	1.7
87.04407	1.7
89.02336	10.4
93.03363	0.4
95.01293	3.2
95.04926	0.4
95.57845	0.4
96.69754	0.4
97.02866	1.4
97.06509	0.8
99.00813	1.1
99.04440	1.1
101.02345	7.9
105.01852	1.4
107.04941	1.4
107.08559	0.4
109.06523	2.4
111.04431	1.2
113.02355	18.2
119.03416	4.6
120.05672	0.5
121.06530	0.5
123.00761	0.6
123.04400	0.6
123.08093	0.7
125.02354	1.2
125.06009	2.7
131.03491	0.6
133.06517	0.4
133.10147	1.8
135.08084	1.4
135.11728	17.7
136.12064	0.8
136.26944	0.4
137.02452	0.7
139.00281	0.4
143.03447	1.1
143.08611	0.5
146.07303	0.9
149.09705	0.5
151.07617	0.4
153.09117	1.9
159.06941	0.3
159.08078	2.2
159.11739	3.5
161.04581	2.4
161.05771	0.5
161.09685	10.4
162.10051	0.4
163.07492	0.5
163.11246	0.8
164.29948	0.4
169.01331	0.5
175.11237	1.2
177.12799	3.5
179.05569	1.6
179.10741	100.0
180.11072	6.1
185.00943	1.9
189.12883	0.7
191.10747	0.7
193.12323	2.3
203.10745	4.2
205.08656	2.5
205.12337	1.8
221.11816	5.2
222.12120	0.6
223.09764	52.2
224.10118	3.7
233.11934	0.8
237.11360	0.7
251.13046	0.5
251.16539	0.5
265.10876	7.4
266.11252	0.9
295.11850	0.5
307.84631	0.4
325.12857	1.0
385.11029	0.6
385.15112	0.8
385.18970	4.2
386.19601	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.9
59.01262	10.6
59.05588	0.6
69.03346	0.8
69.47542	1.3
69.47940	5.5
71.01270	6.7
72.18591	0.6
72.99212	0.8
73.02831	2.8
83.01276	1.1
83.04892	1.0
85.02857	2.8
87.04362	0.6
88.94646	0.6
89.02341	4.2
95.01277	1.3
97.02840	1.9
101.02345	3.0
109.06516	1.0
111.04446	1.2
113.02368	6.0
116.48740	0.7
119.03416	1.4
125.02352	2.8
125.06013	1.8
133.10126	1.0
135.11726	16.6
136.91203	0.7
137.02365	3.6
139.03831	0.8
159.08095	1.9
159.11722	1.6
161.04485	0.9
161.09663	8.0
164.01122	1.3
165.01894	3.2
167.03459	1.3
175.07610	1.3
175.11194	1.1
177.12740	1.6
179.10741	100.0
180.11131	5.4
193.12361	0.8
203.10774	3.1
205.08615	1.7
217.08649	1.0
221.11818	1.9
223.09770	77.1
224.10126	4.6
265.10901	5.5
266.11115	0.7
308.07263	0.9
308.57550	1.1
367.11926	2.6
384.58011	0.8
385.15204	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.8
57.03339	0.9
59.01268	18.2
64.40549	0.6
69.03345	7.9
69.68096	3.0
69.68504	1.6
69.80920	0.6
71.01273	11.6
72.99194	1.2
73.02838	2.0
81.07009	0.9
83.01286	0.9
85.02837	4.7
87.04396	0.8
89.02344	9.6
95.01279	1.5
95.04939	0.7
97.02849	2.7
99.00774	2.0
101.02361	6.9
104.65221	0.7
111.04392	0.6
113.02356	10.2
119.03456	4.2
120.05712	1.8
123.08081	1.1
125.02370	2.2
125.06014	0.8
133.10158	2.4
135.08090	0.7
135.11737	16.0
136.12051	1.0
137.02390	1.2
143.17909	0.6
146.07298	1.9
152.04736	0.7
159.08060	1.2
159.11740	2.2
161.04530	3.0
161.09663	13.3
163.00362	1.3
165.01901	1.0
169.01440	1.1
177.12851	1.1
179.10744	100.0
180.11095	6.4
185.00873	5.8
186.01120	0.7
203.10783	9.0
205.08788	1.4
205.12257	1.4
221.11794	2.9
223.09778	67.4
224.10115	4.6
235.57462	0.6
254.09239	0.9
265.10944	3.6
325.12924	0.9
326.07965	2.5
368.54288	1.2
384.56155	1.0
385.11047	0.8
385.15155	5.5
385.19159	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1306
Annotation	(-)-5'-Demethylyatein
Peak:m/z	Relative Intensity
52.70883	1.6
57.03344	12.8
59.01262	29.8
61.24720	2.0
66.94829	1.7
67.01781	2.5
69.03350	3.3
71.01273	18.1
71.16233	4.2
72.99195	2.4
73.02856	3.1
81.03352	7.5
83.01270	8.9
85.02853	8.1
89.02332	13.3
93.03357	4.0
95.01267	5.1
95.04929	8.3
97.02869	9.2
99.04401	5.2
101.02348	11.3
102.50710	2.1
107.04946	3.6
109.02865	7.3
111.04443	2.6
113.02357	12.0
119.03419	6.3
121.02868	6.2
122.03664	6.4
123.00792	4.5
123.04415	4.9
125.02377	72.6
133.10173	3.9
135.04430	4.8
135.08156	1.8
135.11688	11.4
137.02383	100.0
138.02771	3.3
139.03960	3.2
146.03661	18.2
147.04340	2.5
149.02361	2.4
149.06033	3.5
150.03143	3.2
151.03963	6.5
154.02885	1.8
159.04491	5.8
159.11768	2.2
160.05127	2.1
161.02385	3.8
161.04489	3.4
161.06119	3.0
161.09695	14.7
163.00307	2.4
163.03920	2.7
164.01096	32.9
165.01898	75.4
165.48405	1.9
166.02240	3.8
167.03455	40.9
169.01352	4.0
172.05301	6.0
173.06017	17.3
174.03188	9.3
174.06749	7.1
175.03925	5.3
175.07626	34.1
176.04720	11.4
176.08022	2.3
177.01871	13.8
177.12752	1.9
179.03525	19.1
179.05051	2.6
179.10748	66.4
180.11174	3.4
187.04004	5.6
187.07573	8.0
188.04767	5.0
189.09193	5.9
190.02751	3.2
191.03503	3.1
193.12421	2.0
199.07661	2.8
200.04756	6.3
201.05528	6.0
201.09195	7.7
203.07095	18.6
203.10773	7.7
203.53629	2.3
204.04283	3.7
204.07454	2.8
205.08772	10.0
205.12289	6.2
211.03973	2.3
211.07619	2.0
213.09279	2.2
215.07188	2.5
216.07861	2.5
217.08698	25.9
223.07654	2.3
223.09781	38.6
223.13326	2.6
225.05510	2.9
226.06380	5.2
229.08722	35.3
230.09108	3.4
237.09254	2.6
239.06955	3.3
239.10841	4.5
240.07831	2.5
241.08722	6.2
244.07344	3.5
247.09811	12.1
251.07274	2.1
252.07831	3.5
255.10271	5.9
257.11786	3.6
268.07446	4.9
281.11899	11.4
283.09863	5.2
294.08957	4.4
297.11386	5.4
299.12894	9.6
323.12994	28.9
324.13275	3.7
325.10867	3.7
341.10159	4.8
341.13986	5.6
349.10791	2.9
367.11960	64.4
367.16663	3.4
368.12338	10.5
385.13046	38.5
385.18100	2.9
386.13516	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	385.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20409	1.9
57.03339	12.1
59.01267	31.8
60.55669	1.8
69.03347	4.0
71.01278	27.3
71.61712	2.9
73.02847	4.6
81.03356	11.6
83.01282	11.6
85.02841	8.7
89.02341	15.3
93.03361	3.6
95.01285	4.3
95.04922	7.3
95.87145	2.1
97.02853	9.7
99.00774	2.1
99.04427	7.0
101.02341	11.3
104.42648	2.1
107.04916	2.2
109.02876	8.1
111.00833	1.9
113.02390	15.6
119.03415	8.2
120.02025	1.9
120.39529	2.2
121.02872	7.6
121.33691	2.0
122.03646	6.2
123.04451	4.7
124.01563	3.4
125.02370	74.2
125.51648	2.1
135.04449	4.3
135.11763	12.7
137.02377	100.0
138.02782	2.0
139.03958	2.8
146.03685	23.8
147.04150	2.2
148.05240	2.6
149.06046	3.1
150.03099	3.3
151.03903	6.1
159.04424	7.6
159.11723	3.2
160.05196	2.2
161.04478	2.7
161.05972	2.9
161.09679	23.5
164.01091	31.0
165.01897	68.3
165.09062	3.0
166.02211	2.5
167.03450	46.6
172.05228	6.8
173.06061	13.6
174.03171	8.8
174.06752	5.6
175.03896	5.5
175.07617	35.4
176.04697	9.1
176.07961	2.2
177.01889	15.2
179.03464	23.0
179.10750	87.0
180.11046	6.2
186.06900	2.9
187.04008	4.8
187.07600	8.5
188.04735	4.8
189.09151	5.7
190.02716	5.4
191.07225	2.2
193.12273	2.7
199.07607	3.2
200.04785	8.5
201.05482	4.8
201.09183	8.1
202.06306	3.8
203.07112	17.9
203.10774	8.7
204.04196	3.9
205.08687	10.7
205.12308	7.6
213.09097	2.5
215.07086	3.5
217.08722	22.8
221.11862	4.4
223.09769	48.8
223.13277	4.5
224.10165	3.2
225.05602	2.9
226.06477	3.6
229.08707	42.9
230.09135	3.0
238.12495	1.9
239.07083	3.9
239.10704	3.8
241.08679	5.5
246.87183	1.9
247.09760	12.0
252.07906	2.6
255.10294	5.0
257.11838	3.5
265.10925	3.2
273.11356	2.4
281.11829	9.6
283.09891	7.0
294.09094	4.0
296.07135	2.2
297.11279	4.8
299.12930	6.5
301.10455	2.2
317.30737	2.3
319.83951	2.3
323.12933	24.6
324.13104	4.1
339.12674	2.1
341.13962	5.4
349.10834	2.6
367.11948	75.3
368.12091	10.3
385.13089	43.1
385.18475	4.6
386.13458	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	385.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.7
59.01270	13.1
59.27909	0.5
70.07240	0.5
70.07521	2.4
71.01276	7.1
72.99216	1.0
73.02824	0.5
75.00777	0.6
83.01295	0.6
85.02846	4.9
87.00808	0.8
88.52401	0.5
89.02351	4.3
91.01804	0.7
96.95900	0.5
98.20299	1.1
99.00809	0.7
100.65197	0.4
101.02374	2.6
108.46986	0.4
109.02840	0.5
111.00808	1.3
113.02356	4.2
115.17450	0.5
119.01298	4.7
119.03421	1.5
121.02906	1.0
125.02433	0.6
126.18484	0.4
129.01901	1.1
135.04462	0.8
147.00821	2.8
149.02403	7.0
155.03571	0.5
161.02449	0.7
162.03244	0.6
163.03899	0.8
164.04758	7.0
165.01869	1.5
165.05124	0.7
173.04510	0.8
175.00340	28.7
176.00705	1.0
177.01955	0.6
179.05692	0.6
179.07092	2.4
189.01889	0.7
190.02704	70.7
191.03094	3.8
191.05301	0.4
193.01439	1.1
205.05066	100.0
206.05466	6.5
208.03757	1.7
217.01367	0.6
221.08194	1.7
223.06189	20.7
224.06483	1.6
232.03745	0.8
237.07646	0.8
247.06160	6.7
248.06419	0.6
265.07202	3.8
267.07233	6.0
295.08215	0.6
325.09372	2.3
385.11472	10.6
386.11758	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.7
59.01264	4.3
62.06751	0.6
69.03333	0.7
71.01270	4.0
71.59841	1.1
72.99191	2.5
73.02826	2.5
75.00772	3.0
81.33587	0.7
83.01282	2.4
85.02839	6.6
87.00775	4.8
89.02347	1.4
93.03376	0.8
95.01270	1.1
97.02855	0.8
99.00761	3.0
101.02341	2.5
109.02893	0.6
109.94717	0.6
111.00806	0.7
113.02348	3.0
113.99538	1.0
115.00284	7.6
119.04895	0.6
121.02844	1.2
123.00801	0.6
129.01866	1.3
139.00340	1.1
141.01874	1.7
149.02393	0.9
153.09186	1.1
161.04494	0.6
163.03922	1.9
166.99817	0.7
174.01660	55.5
175.00491	0.9
175.02393	6.5
178.06334	1.1
179.03455	1.7
182.53218	0.6
183.77092	0.7
190.02699	2.8
191.05647	1.0
193.04999	0.9
194.05759	1.0
205.05112	4.8
206.99336	1.7
207.06584	0.7
208.00371	0.9
209.08170	3.8
223.04431	1.3
223.06293	1.4
239.09190	1.7
265.07346	1.0
267.08783	2.4
295.08386	6.0
325.09317	9.6
385.11508	100.0
386.11905	10.8
402.16248	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.8
55.24915	0.6
57.03335	3.1
58.00499	0.7
59.00992	1.3
59.01265	17.2
60.35023	0.6
67.01775	1.3
70.73103	0.6
71.01270	19.5
71.32115	0.8
71.32449	0.7
72.99212	4.9
73.02856	1.9
75.00761	17.0
81.03320	0.8
83.01295	0.8
83.04948	0.7
85.02843	24.6
85.03358	1.3
87.00771	9.4
89.02335	7.1
91.05428	15.6
93.03334	0.8
95.01289	5.3
95.01806	0.8
96.39722	0.8
97.76659	0.8
99.00781	9.7
101.02337	0.8
103.00288	2.9
111.00780	1.1
113.02358	33.4
114.02719	0.8
115.00282	2.1
117.01830	2.5
117.03357	3.2
121.02868	3.0
123.04412	0.7
129.01866	2.6
135.04451	11.3
136.04802	0.8
139.00266	0.7
157.01355	1.3
163.05055	0.7
169.01355	0.9
170.87663	0.7
174.98296	0.7
175.02426	3.0
179.09294	1.0
179.10706	6.1
205.07118	1.1
205.12323	3.9
207.05040	1.1
223.13443	0.8
231.05177	1.9
249.06190	35.2
250.06555	2.0
263.07788	1.4
267.07275	100.0
268.07608	5.4
302.80276	0.7
367.10614	0.9
385.11496	46.7
386.11856	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	383.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
60.01619	0.9
61.98724	2.0
63.30433	0.7
71.01277	1.9
71.57296	0.9
83.01302	1.1
89.02373	0.8
101.02376	1.8
102.34396	0.7
105.99532	0.8
113.02374	1.0
301.00031	2.7
323.10080	2.2
341.11050	1.1
383.12622	1.0
383.23050	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0941
Annotation	Cleomiscosin B
Peak:m/z	Relative Intensity
52.36082	0.2
53.08614	0.2
57.71533	0.2
59.01270	0.8
71.01270	0.4
77.03860	0.3
81.03352	0.9
83.01286	0.2
86.78705	0.2
89.02396	0.3
89.03866	3.2
95.01315	0.2
95.04939	0.5
104.02586	15.0
105.03394	4.6
106.03685	0.2
107.01353	0.2
110.73699	0.2
120.02061	1.2
121.02882	0.4
123.00800	0.6
125.02393	0.5
133.02885	12.8
134.03270	0.3
148.01598	13.5
149.02432	1.5
161.02394	0.3
161.09763	0.2
165.01872	0.2
176.01115	79.2
177.01888	100.0
177.99788	0.2
178.02240	5.5
179.03346	0.3
180.00627	0.4
189.01935	0.2
190.02713	0.4
191.03441	0.4
191.07059	0.3
194.05797	0.4
205.12524	0.3
205.19055	0.2
209.08247	0.7
217.01414	0.6
218.02133	0.4
347.95917	0.2
355.08310	0.6
367.08212	0.8
369.17856	0.2
385.04379	0.4
385.09341	8.7
386.09772	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.4
59.01268	3.0
59.51340	0.2
61.98730	0.3
64.22357	0.3
65.25269	0.3
70.50923	0.7
71.01280	0.8
72.63002	0.2
83.04910	0.6
89.02355	0.7
91.03914	2.5
97.02870	0.5
97.06488	1.8
99.08050	0.4
101.02358	0.4
104.45856	0.3
109.06487	0.3
111.08086	0.6
113.02384	0.3
113.09616	2.1
115.07567	0.8
121.10140	0.3
123.08112	0.3
125.06001	1.0
126.06784	0.3
127.07613	0.4
139.11230	0.6
141.09138	1.1
142.60939	0.3
165.12807	3.0
166.13133	0.3
167.10764	0.7
167.14363	1.3
177.09073	0.3
177.12779	0.6
181.12297	2.9
182.12625	0.3
183.13866	1.1
191.14380	0.3
193.12263	1.6
193.16003	0.7
195.13867	2.5
196.14163	0.2
203.14552	0.4
209.11876	0.4
211.13367	3.1
213.14951	0.7
221.11874	0.3
221.15492	2.4
222.15747	0.3
229.14452	1.0
239.12862	0.3
240.13699	1.2
241.14345	0.6
245.19122	0.4
247.20679	4.0
248.21083	0.4
263.02155	0.3
263.20245	0.7
265.21722	0.4
273.18640	3.1
281.21277	1.6
291.19727	36.7
292.20044	4.2
300.99930	0.7
309.20770	100.0
310.21115	10.6
310.23938	0.2
313.16550	0.5
314.17276	1.5
314.37204	0.3
323.09894	0.3
383.24475	5.0
384.24658	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07165	0.5
57.03339	3.3
59.01266	6.5
61.98722	1.5
69.47378	4.2
69.47789	1.6
70.15753	0.6
71.01265	5.1
73.02840	1.6
73.69594	0.7
75.00763	1.0
76.28298	0.6
78.95811	0.7
83.01269	1.1
83.04919	0.9
85.02848	3.1
87.00774	2.0
89.02335	2.1
93.03348	1.6
95.01273	0.9
96.95913	2.8
98.19820	1.3
99.00790	0.7
101.02341	2.8
109.02879	1.3
109.74580	0.6
111.04399	0.6
113.02410	1.6
119.03470	0.9
121.06528	1.1
123.04479	1.3
123.08106	0.9
125.02371	2.4
127.00285	1.7
129.01869	0.8
133.06551	0.7
135.08049	1.6
149.02402	1.0
151.07594	1.1
151.11273	1.3
152.99507	2.0
153.26930	0.7
161.04483	1.9
161.09671	4.1
163.07610	2.4
165.01898	0.6
165.05571	1.2
165.09189	1.1
169.01480	1.5
174.01744	0.7
175.11275	0.6
177.01970	1.3
177.09181	3.0
177.12828	1.8
178.06314	1.6
178.09912	1.2
179.10745	12.9
179.12216	1.3
187.07602	1.8
188.08430	0.7
190.06288	2.1
193.12355	5.9
201.09300	0.7
202.09886	1.7
203.10762	59.8
204.11119	3.9
205.01465	1.0
205.08682	2.6
206.09435	4.9
219.10207	1.0
220.11044	73.7
221.11819	100.0
222.12170	7.8
299.01675	0.8
323.01932	1.0
325.03644	1.4
355.04489	0.8
365.16168	4.7
368.01965	1.1
382.99576	1.2
383.04199	11.2
383.17203	70.5
384.04315	1.1
384.17612	7.8
395.13171	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07165	0.5
57.03339	3.3
59.01266	6.5
61.98722	1.5
69.47378	4.2
69.47789	1.6
70.15753	0.6
71.01265	5.1
73.02840	1.6
73.69594	0.7
75.00763	1.0
76.28298	0.6
78.95811	0.7
83.01269	1.1
83.04919	0.9
85.02848	3.1
87.00774	2.0
89.02335	2.1
93.03348	1.6
95.01273	0.9
96.95913	2.8
98.19820	1.3
99.00790	0.7
101.02341	2.8
109.02879	1.3
109.74580	0.6
111.04399	0.6
113.02410	1.6
119.03470	0.9
121.06528	1.1
123.04479	1.3
123.08106	0.9
125.02371	2.4
127.00285	1.7
129.01869	0.8
133.06551	0.7
135.08049	1.6
149.02402	1.0
151.07594	1.1
151.11273	1.3
152.99507	2.0
153.26930	0.7
161.04483	1.9
161.09671	4.1
163.07610	2.4
165.01898	0.6
165.05571	1.2
165.09189	1.1
169.01480	1.5
174.01744	0.7
175.11275	0.6
177.01970	1.3
177.09181	3.0
177.12828	1.8
178.06314	1.6
178.09912	1.2
179.10745	12.9
179.12216	1.3
187.07602	1.8
188.08430	0.7
190.06288	2.1
193.12355	5.9
201.09300	0.7
202.09886	1.7
203.10762	59.8
204.11119	3.9
205.01465	1.0
205.08682	2.6
206.09435	4.9
219.10207	1.0
220.11044	73.7
221.11819	100.0
222.12170	7.8
299.01675	0.8
323.01932	1.0
325.03644	1.4
355.04489	0.8
365.16168	4.7
368.01965	1.1
382.99576	1.2
383.04199	11.2
383.17203	70.5
384.04315	1.1
384.17612	7.8
395.13171	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02112	1.9
59.01268	25.0
62.12315	1.7
69.31657	3.5
69.32066	19.8
71.01272	11.7
71.04906	2.5
72.99159	2.0
85.02874	2.9
85.28411	1.7
87.04403	2.9
89.02327	16.6
99.04412	14.3
100.51414	1.7
101.02352	8.2
101.05982	4.4
108.14342	2.1
113.02336	4.7
115.03945	11.3
115.07544	6.1
117.05495	9.0
119.03413	8.1
161.04506	4.1
161.08142	100.0
162.08530	3.2
179.05557	9.0
266.72845	1.8
303.02789	1.9
323.10007	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1356
Annotation	Hymenoside T
Peak:m/z	Relative Intensity
59.01264	2.1
65.03839	0.3
68.99722	0.2
69.22270	0.7
69.22694	1.6
71.01263	0.8
73.02843	0.2
81.47306	0.2
87.00777	0.2
89.02337	0.5
93.03360	51.7
94.03684	1.8
98.20562	0.5
101.02370	0.5
109.02838	0.3
113.02358	0.3
125.02357	0.7
137.02377	100.0
138.02715	4.0
161.02353	0.3
161.04546	0.2
169.01411	0.7
177.01929	0.4
179.03348	0.2
189.78149	0.2
212.89346	0.2
221.08125	0.2
234.92090	0.2
239.63390	0.2
269.98132	0.4
297.97705	0.6
298.98608	0.3
313.00003	0.7
314.00818	0.2
328.02109	0.3
369.04877	0.7
383.13779	2.2
384.07419	0.9
384.13983	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
65.21499	0.7
71.01260	1.8
72.69902	0.8
98.19688	1.4
123.87280	0.8
140.03250	0.9
171.40463	1.1
213.03201	0.8
301.00024	0.9
323.09723	1.3
348.99188	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0781
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
57.92906	0.5
59.01266	8.3
59.28986	0.5
61.98726	1.2
63.33143	0.4
63.35484	0.5
68.78043	0.5
68.99702	1.2
71.01271	0.9
71.60118	0.6
89.02342	0.9
100.07921	0.6
101.02367	0.5
111.00728	0.7
113.02295	0.7
119.04891	0.7
121.02871	100.0
122.03207	3.9
124.38167	0.5
145.02893	0.6
147.04445	2.2
149.02373	1.8
163.03943	0.7
180.05782	0.8
181.06572	4.9
191.03464	9.6
192.03798	0.6
223.07669	0.7
225.05544	8.0
251.07114	3.8
295.06195	10.7
295.09467	0.5
296.06390	1.4
300.99945	1.5
311.09338	14.6
312.09671	1.1
313.07230	18.8
314.07520	2.4
323.09879	0.8
338.76645	0.6
339.08789	16.8
340.09152	2.1
382.27347	0.7
383.07800	32.4
383.22971	0.6
383.27924	0.6
384.08170	4.3
392.97214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24860	0.3
53.29986	0.3
54.48182	0.2
59.01259	0.8
64.31258	0.3
71.01272	0.7
71.61740	0.4
85.02845	6.8
87.00783	1.5
93.03352	2.4
108.08089	0.3
109.02875	0.6
111.04409	0.9
127.03960	1.5
173.04536	0.9
191.05583	100.0
192.05940	4.0
211.40045	0.4
273.34521	0.3
296.57925	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.3
69.92850	1.7
69.93259	3.7
71.01276	1.1
77.89395	0.8
85.02845	8.0
87.00833	1.1
93.03349	2.1
98.20445	1.5
124.55354	0.9
127.03983	2.0
173.04485	1.2
191.05592	100.0
192.05986	4.7
219.81908	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89051	1.0
57.48765	1.0
59.01266	100.0
59.19948	1.1
68.46941	1.1
71.57285	2.2
73.72469	1.3
78.95812	1.5
79.94524	1.2
102.78098	1.1
103.73454	0.9
104.67667	1.2
113.67661	1.1
114.04508	1.0
150.51178	1.1
174.99184	2.7
178.14702	1.1
217.00284	17.9
217.40924	1.1
218.00665	1.2
283.53061	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59409	1.6
58.82244	1.2
59.01266	100.0
61.98716	3.3
71.66873	1.4
78.95782	2.9
132.98265	1.6
143.51927	1.4
174.99158	4.8
217.00314	30.0
382.27725	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	382.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82127	0.4
58.00487	0.4
59.01266	10.0
64.61530	0.3
69.69892	2.5
69.91322	0.4
71.01273	8.5
72.26293	0.4
72.99198	1.3
73.02829	1.2
75.00768	18.3
83.01282	1.2
84.83408	0.4
85.02841	3.0
87.00778	16.9
89.02352	4.6
90.55586	0.3
95.01264	0.8
99.00771	0.6
101.02356	3.9
113.02382	2.9
115.05458	5.8
115.12672	0.4
116.05006	2.4
117.01862	0.6
119.03422	1.3
122.68145	0.4
128.05002	0.6
130.06541	5.9
132.04488	26.0
133.04820	1.4
144.04488	1.7
146.06104	0.7
157.05324	0.5
158.06068	100.0
159.06444	5.3
160.04002	0.4
161.02364	0.6
161.04573	0.7
174.05576	3.6
176.07146	0.9
193.66576	0.4
202.05090	42.0
203.05432	2.0
220.06158	9.4
221.06216	0.5
237.06181	8.1
238.06441	0.5
249.06195	9.2
255.10617	0.4
262.07236	1.4
349.58777	0.4
382.11530	58.5
383.11871	5.7
394.57474	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13140	2.0
52.91591	2.0
59.01257	7.9
62.39838	2.2
62.51051	2.2
64.72591	2.0
68.38973	2.4
69.79002	4.1
69.79407	13.4
71.01270	3.6
92.04977	3.4
95.46941	2.2
103.00946	2.4
108.57563	2.5
109.02865	2.1
116.04983	3.5
118.02826	2.0
131.01007	2.2
131.03737	2.6
132.04509	6.9
137.02338	3.7
138.24142	2.3
138.96590	2.3
144.04486	10.0
156.06874	5.8
157.07643	5.9
158.06111	5.2
159.05579	2.3
160.04015	10.2
167.06143	8.0
169.07651	4.3
171.09190	11.9
173.07185	6.4
181.07675	54.8
182.06157	3.6
182.07956	5.9
193.65192	2.4
197.07204	6.1
199.08743	31.8
200.09033	4.0
201.06610	4.5
202.89661	2.3
208.02518	7.4
215.06683	2.2
216.29298	2.3
226.05070	5.5
243.07756	22.9
261.08862	100.0
262.09244	8.0
363.12231	4.1
381.13065	26.2
382.13834	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	377.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82727	2.2
59.01261	19.2
69.03349	10.2
71.01279	11.0
71.59415	2.1
78.95798	15.0
89.02331	24.4
95.01280	5.8
96.95913	6.4
96.96863	28.1
101.02344	9.7
113.02369	6.7
119.03445	9.3
123.00810	6.6
139.00328	2.5
141.01849	5.0
143.03355	2.9
146.50677	2.4
161.04541	3.2
166.99803	11.3
173.04512	4.8
179.05568	16.4
185.00865	10.0
185.02238	6.8
191.05550	4.3
197.02242	4.8
215.03267	25.0
223.47995	2.9
279.10950	13.6
341.10971	100.0
342.11224	6.2
367.13980	2.7
377.03906	3.7
377.08679	75.6
378.08868	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	379.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.9
57.03337	0.6
59.01264	100.0
60.01608	0.8
71.01270	14.6
72.05993	0.4
72.99197	1.4
73.02836	3.3
83.01287	1.9
85.02841	4.8
87.00821	0.6
89.02338	10.8
95.01306	1.7
96.76830	0.4
96.95882	0.6
98.19762	1.0
99.00790	1.6
101.02341	12.8
110.27448	0.5
113.02351	6.7
115.07594	1.3
119.03425	4.4
121.02878	0.6
123.58027	0.5
125.02381	1.4
130.01854	0.5
131.03464	0.5
143.03468	1.3
149.04391	0.5
159.02946	1.2
161.02408	0.5
161.04504	8.0
169.01538	1.1
174.16843	0.6
179.05592	1.2
223.62302	0.5
247.46495	0.5
304.07501	0.6
319.17679	58.6
320.17984	4.7
343.02408	0.5
343.77191	0.5
379.20044	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	100.0
60.74741	0.8
61.98728	1.2
64.45171	0.8
69.54093	7.3
71.01264	1.8
73.84909	0.8
76.75971	0.8
79.73647	1.0
98.20559	1.9
102.52558	0.8
123.04447	1.2
132.91602	0.9
133.91173	0.9
174.80498	0.8
174.99174	4.6
178.13297	0.8
217.00278	18.9
374.99442	1.5
375.21823	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	375.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88651	0.1
57.03338	1.3
58.00478	0.2
58.29678	0.1
59.01274	0.8
69.03366	0.3
71.01274	0.5
71.04893	0.2
71.32741	0.2
71.33083	0.2
73.02831	0.6
79.73519	0.1
83.04930	0.2
84.18504	0.1
85.02855	0.3
86.35479	0.1
87.04409	0.8
97.06483	0.6
99.08064	0.1
101.02351	0.3
109.06490	0.4
111.04449	0.1
111.08056	0.2
113.09643	0.4
123.00732	0.1
123.08075	1.0
125.02357	0.3
125.09659	0.1
126.13467	0.1
135.08138	0.6
138.06784	0.2
139.11221	0.8
141.09140	0.3
141.12787	0.5
151.00282	0.2
153.09175	0.7
157.12291	1.9
161.04509	0.2
169.01418	0.2
169.12315	1.1
171.13882	0.2
183.17729	0.1
185.11800	2.3
213.11417	0.2
214.12047	0.2
215.12878	1.6
251.20206	0.3
284.89331	0.1
285.04123	0.3
293.21280	0.3
309.24374	0.2
311.22205	0.6
313.05569	0.1
327.21823	0.5
327.25558	0.6
329.23438	2.3
330.18253	0.1
330.23819	0.2
339.25699	0.6
345.26559	0.3
355.25156	0.3
357.26532	3.4
358.26950	0.4
373.26068	2.2
374.26373	0.4
375.27594	100.0
376.27921	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	375.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01606	1.1
61.98702	0.5
64.05648	0.3
69.67841	0.6
69.68248	1.8
78.40039	0.3
156.64833	0.3
174.99226	2.7
179.61674	0.3
217.00302	10.3
220.14772	0.5
221.15482	0.8
236.10664	0.5
374.99625	0.8
375.17886	0.5
394.66849	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2185
Annotation	Maoecrystal G
Peak:m/z	Relative Intensity
54.63102	0.8
56.86193	1.1
59.01264	89.7
60.01591	1.2
61.98706	2.6
71.60127	1.3
72.69029	0.9
76.61069	0.9
92.49865	0.9
113.48466	0.8
115.07414	0.8
117.15659	0.9
130.31895	0.9
136.08929	1.3
173.63876	0.9
174.99254	6.4
185.09683	1.3
193.15950	2.7
199.11176	0.9
217.00299	26.7
233.36006	0.9
279.40991	1.1
288.47168	0.9
293.17661	2.2
297.18726	1.3
315.19714	100.0
316.20032	12.2
320.06839	1.0
374.99500	1.7
375.21841	1.1
375.25961	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77233	0.3
56.24091	0.3
62.51313	0.3
71.21566	0.6
74.98962	1.5
80.61263	0.4
84.53602	0.3
84.56363	0.3
93.00024	1.4
95.72882	0.3
98.19911	0.3
149.00946	0.4
159.08415	11.0
160.08655	0.6
161.06352	3.1
164.32693	0.3
192.98080	0.4
209.01248	1.7
217.07210	1.0
225.00787	0.5
236.29561	0.3
275.06061	0.6
277.07553	2.2
289.07700	1.7
291.09164	95.3
292.09259	12.8
309.10312	2.6
357.13901	2.0
359.15427	100.0
360.15576	18.1
360.20163	0.6
375.18573	10.8
376.18771	2.2
377.16425	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.7
57.03328	0.7
58.00489	1.9
59.01268	38.1
59.11777	0.3
60.01632	0.3
61.92630	0.3
61.98722	0.4
69.03356	0.4
70.53800	1.2
71.01273	24.8
72.01622	0.3
72.99206	2.3
73.02837	1.6
78.95821	0.4
83.01286	1.4
85.02854	5.2
87.00769	1.0
89.02343	17.7
93.03362	0.3
95.01276	1.6
99.00806	0.8
101.02353	12.9
113.02356	8.7
119.03429	5.8
169.01445	0.3
170.15120	0.3
178.49977	0.4
183.13910	0.9
195.13895	9.0
196.14183	0.5
213.14937	4.1
229.33699	0.3
269.04465	0.5
286.65710	0.3
299.05087	0.6
303.03336	0.3
313.23834	0.7
357.19183	0.7
357.26538	0.5
375.20328	100.0
375.27203	8.6
376.10257	0.4
376.20651	11.8
376.28113	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13058	0.9
59.01267	41.8
65.00714	0.8
71.01269	12.7
73.43918	0.8
80.91600	1.7
83.17618	0.8
115.74068	0.7
125.91761	0.8
127.07584	1.2
153.01537	0.8
163.64240	0.8
174.99263	4.4
177.09184	4.2
184.10065	0.8
190.10005	2.4
192.11543	8.0
205.12337	2.7
207.13902	2.4
217.00316	14.3
218.09502	2.4
220.14708	43.0
221.15474	100.0
222.15814	8.0
226.07562	0.9
233.35304	0.9
235.13460	1.8
236.10570	97.1
237.10970	8.3
275.16684	1.6
293.17676	53.6
294.17917	5.7
318.09479	5.3
321.15701	2.3
335.13440	1.3
342.30737	0.8
345.01456	1.5
374.99457	1.6
375.17941	14.0
376.18326	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65696	0.6
59.01259	1.0
59.13655	0.7
69.41724	1.0
69.42120	5.7
74.98949	1.7
79.34016	0.7
93.00035	0.9
96.40308	0.8
120.90468	0.7
130.26860	0.7
159.08415	10.9
161.06348	2.1
208.66331	0.7
209.01237	1.8
277.07599	3.0
289.07690	1.5
291.09171	96.8
292.09280	13.1
309.10162	2.2
357.13858	2.5
359.15424	100.0
360.11362	1.4
360.15552	17.5
375.18591	10.3
376.18680	3.1
377.16458	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.7
57.03331	1.4
58.00481	1.4
59.01264	31.0
69.03333	1.4
69.39417	4.7
71.01270	23.3
71.04900	0.6
72.01626	0.5
72.03949	0.4
72.99195	1.4
73.02829	3.3
73.53871	0.4
80.04590	0.4
83.01271	1.8
84.20760	0.4
85.02841	6.9
87.00777	1.0
89.02338	16.5
94.04149	1.1
95.01292	1.7
95.04938	4.9
97.02856	0.7
97.06488	1.8
98.03630	6.5
98.19791	0.9
99.00800	1.0
100.22060	0.4
101.02344	12.7
105.86922	0.5
107.04929	7.4
108.02032	0.6
113.02352	8.8
119.03419	7.4
124.79716	0.4
125.02399	1.1
125.09624	0.8
131.03419	0.7
133.73959	0.5
135.04434	0.8
135.08134	1.3
136.08891	0.5
141.09155	0.5
141.12761	0.8
143.03439	0.6
149.04489	0.5
149.09628	2.9
151.00331	0.8
151.11223	74.5
152.11554	4.3
154.09972	1.2
159.02893	0.5
161.04506	2.4
169.12292	13.0
170.12650	0.6
177.34605	0.4
179.05576	0.9
195.10245	100.0
196.10573	6.1
212.04802	1.4
213.11295	0.6
300.38788	0.5
375.27606	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	374.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02487	0.5
59.01263	100.0
60.01610	0.9
61.98721	1.2
69.69232	1.7
69.69675	1.8
88.48392	0.5
91.96600	0.5
96.95901	0.7
132.47859	0.4
150.03212	0.6
154.12775	0.6
167.74088	0.5
174.99200	2.7
201.25665	0.5
214.77951	0.5
217.00316	9.7
223.20686	0.5
253.21870	0.7
282.30890	0.5
314.27209	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	13.5
69.49472	14.1
71.01276	2.5
76.37923	1.6
79.19035	1.8
85.02856	1.6
111.08590	1.7
122.03646	5.2
125.02396	3.8
145.02835	4.1
147.04465	2.0
149.02460	2.5
152.03479	100.0
153.03786	3.7
160.01627	3.8
161.02364	5.7
163.00316	2.0
172.01666	3.2
173.02333	3.3
175.03926	2.5
176.01091	3.6
177.01912	3.8
183.53075	1.8
185.02414	2.4
187.00363	2.9
188.01237	2.5
189.01891	7.1
190.02603	3.4
191.03476	3.0
200.01198	4.4
200.03548	2.0
201.01848	4.9
202.99806	2.8
203.03535	3.4
204.00662	2.9
205.01450	5.2
212.03494	2.7
213.01888	3.4
214.99945	2.5
215.03506	4.9
216.00641	7.2
217.01424	6.3
218.02148	4.0
224.92862	1.6
229.01392	7.5
230.99330	5.8
232.00204	2.9
233.00948	5.3
241.01472	4.6
242.01755	1.9
242.99402	2.1
244.00255	10.2
245.00978	16.8
246.01691	8.8
246.98914	4.1
256.02591	2.6
257.01031	10.8
258.04260	3.5
259.02466	4.2
259.99695	7.3
261.00443	14.4
263.02167	2.2
264.76337	1.7
268.02628	6.5
270.51947	1.6
270.98935	5.8
271.99683	17.4
273.00311	10.0
284.02109	16.9
285.00528	5.1
286.00720	2.7
286.03662	11.5
286.98679	3.4
287.98929	3.9
288.99850	4.1
290.00775	19.3
294.00558	2.2
298.98062	8.0
299.99121	6.2
300.01654	6.1
300.99927	31.0
302.00110	4.4
303.01071	2.1
312.01660	20.4
314.97757	4.6
315.98666	25.3
316.99161	10.2
328.01099	6.3
330.02615	16.9
333.99628	5.0
356.00546	34.2
357.00793	4.2
374.01547	36.8
375.01898	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	373.1148
Annotation	Methyl syringate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01764	0.5
57.03325	0.4
59.01267	2.8
59.65690	0.2
61.32397	0.2
65.00215	0.2
67.01770	0.8
68.99697	0.4
69.03326	0.5
70.47926	0.2
70.48277	0.7
71.01268	3.8
72.99190	0.9
73.02824	1.1
75.68079	0.2
79.01790	0.8
83.01274	1.8
83.02383	0.4
85.02842	2.1
86.00002	0.2
87.00770	0.3
89.02339	0.5
95.01299	1.7
97.02850	1.1
99.00797	0.5
101.02345	3.4
107.01298	2.4
107.04876	0.3
109.02862	0.3
109.99989	0.3
111.00794	1.9
113.02366	1.4
122.79224	0.2
123.00798	11.8
124.01646	0.6
125.02369	10.6
126.02690	0.2
127.00302	1.1
131.35316	0.2
135.04489	0.4
136.98753	1.4
137.02332	0.2
139.00296	4.6
139.01366	0.3
140.01099	3.5
141.01904	1.8
151.00304	9.8
151.03931	0.2
152.00645	0.4
153.01869	0.7
154.99797	0.4
159.02948	0.2
161.04576	0.3
163.03931	0.3
166.99808	0.2
168.00597	3.9
169.01382	12.7
170.01752	0.6
181.05006	0.2
198.14078	0.2
211.02475	0.4
221.10291	0.4
223.02477	0.3
253.03653	0.2
271.04697	0.3
300.99826	0.4
313.05682	0.7
373.11456	100.0
374.11807	9.2
398.40048	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40975	0.4
57.03339	10.9
59.01263	10.5
61.98693	0.3
69.03351	1.8
69.31367	4.1
71.01266	3.3
72.99206	0.4
73.02823	0.8
74.38842	0.3
81.03351	2.2
83.01273	10.4
85.02841	1.5
89.02351	2.4
89.02826	0.3
93.03374	2.4
94.66376	0.4
95.01289	0.5
95.04919	1.5
97.02848	1.2
98.03642	1.3
101.02346	2.9
101.05990	4.2
107.01310	0.6
109.02859	9.3
111.00788	2.6
113.02351	1.1
115.05468	0.4
115.61472	0.4
117.03371	1.4
119.03419	0.7
119.04881	0.3
121.02871	1.4
122.03665	0.6
123.04446	2.8
124.01542	0.7
125.02368	72.7
126.02700	2.6
131.04955	0.5
133.02844	0.9
135.04425	1.6
137.02376	100.0
137.09665	0.6
138.02676	3.4
139.03952	0.8
139.07579	0.6
143.04900	0.5
145.02890	18.0
146.03653	3.0
149.02391	7.6
150.03174	16.8
151.03947	2.1
151.07591	3.2
155.10686	2.1
157.06601	0.9
158.03708	0.4
159.03166	0.4
159.04460	9.5
160.05142	0.7
161.02341	1.3
161.04489	1.4
161.06018	6.2
162.06429	0.6
163.03973	0.4
164.01064	1.1
165.01831	0.9
167.04904	0.5
169.01355	0.4
173.05974	0.5
174.03110	0.6
175.03914	0.9
179.03503	0.9
179.10782	0.5
181.06520	0.7
183.04446	3.0
184.05185	1.1
185.02460	0.6
185.06033	6.1
186.06381	0.4
187.03978	5.5
188.04691	1.0
193.08641	0.9
193.12315	0.9
198.16907	0.4
199.07625	0.8
201.05519	2.9
202.06192	1.0
203.07118	5.7
204.07500	0.4
205.05040	0.8
207.04597	0.5
207.10344	1.7
209.06064	1.6
211.04012	1.2
211.13338	0.5
213.01915	0.8
221.08199	0.6
223.09758	6.8
224.10083	0.5
225.05655	1.0
227.03517	1.1
227.07092	3.6
229.05136	2.0
230.02167	1.8
230.05708	0.5
235.04100	0.6
235.09775	15.4
236.10086	1.1
245.08203	2.6
253.05101	10.7
254.05537	1.5
256.03799	1.1
271.06171	26.0
272.06555	2.7
287.12711	0.4
289.07230	10.6
290.07614	1.0
329.10385	0.5
329.13995	3.2
330.14182	0.4
373.12961	4.2
373.22205	0.9
373.26028	1.7
374.13330	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2084
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
55.01769	7.0
57.03337	7.5
58.00482	2.7
59.01265	53.2
60.01600	0.8
68.99702	0.5
69.03338	0.9
70.59421	0.7
71.01270	100.0
72.01611	1.7
72.99198	4.0
73.02836	31.1
74.03179	0.6
75.00773	1.5
81.03362	0.7
83.01276	16.1
84.01623	0.3
84.02066	0.7
85.02843	44.0
86.00005	1.2
86.03172	0.9
86.56722	0.2
87.00771	4.1
87.04417	0.2
89.02338	26.3
90.02680	0.4
95.01284	7.7
96.01648	0.2
97.02840	2.2
99.00781	13.5
99.04472	0.2
101.02348	83.2
102.02679	1.7
111.00791	1.6
113.02357	41.7
114.02695	1.6
115.03879	0.4
119.03420	8.9
120.03750	0.2
121.06504	0.3
123.08063	0.7
125.02369	2.6
129.01869	1.9
131.03436	1.4
131.65628	0.2
137.09630	1.5
139.00298	0.4
139.11235	0.3
141.01816	0.4
143.02342	0.4
143.03441	5.8
149.04489	0.7
149.09653	0.8
151.11192	0.2
159.02936	10.2
160.03242	0.3
161.04501	57.3
162.04813	2.1
165.12810	0.5
169.01372	0.2
179.05557	1.1
205.03558	1.9
209.15457	11.7
210.15778	0.8
233.15486	0.4
279.16022	0.6
371.20810	61.3
372.21167	8.7
393.64243	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33675	3.4
59.01267	17.2
63.02297	3.6
65.00219	10.7
65.99725	5.3
71.01268	8.5
71.61774	6.0
83.01301	8.0
87.21874	4.0
91.28031	4.0
92.41518	3.7
93.03356	5.1
95.01260	7.3
100.75068	3.7
107.01321	10.8
109.02854	11.0
110.00009	9.3
111.00814	9.3
118.02864	4.7
121.02938	8.3
123.00792	13.7
123.02661	8.6
124.01545	5.3
125.02393	19.3
137.02370	16.0
139.00296	23.5
148.03891	4.1
149.02429	7.7
151.00307	36.3
152.01105	8.4
155.10678	5.5
161.02335	7.2
162.01892	3.8
163.00270	6.9
164.00975	5.5
164.03502	5.6
165.01878	11.5
165.99016	9.7
166.99800	10.9
169.01323	13.2
173.02376	3.9
175.00439	3.9
176.03545	5.1
177.01894	13.0
177.22281	3.8
178.01431	5.2
178.99828	63.4
180.00497	12.4
187.03969	3.9
192.00528	6.1
192.03024	9.6
193.01411	15.1
194.99321	12.3
202.01442	13.1
203.03563	7.8
204.02985	5.0
205.01392	7.3
206.99332	20.2
215.03482	7.5
219.03110	5.2
229.01428	5.2
230.00850	8.1
233.00935	5.7
245.00867	7.8
246.00435	9.6
254.13840	4.3
255.05980	3.9
259.02478	6.3
287.02002	14.5
288.02475	5.2
300.99881	5.7
301.03464	4.7
305.03140	11.8
310.03610	8.2
314.00656	4.3
315.01572	9.4
326.03183	10.4
327.01404	19.6
328.04727	5.9
329.09354	3.9
332.01819	100.0
333.02151	7.3
344.04318	6.6
345.02536	14.9
354.02640	25.8
372.03455	71.0
373.03964	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	372.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	16.5
61.98720	100.0
71.60623	4.7
101.02366	2.9
119.82904	2.3
121.02812	2.8
136.17937	2.2
175.42502	2.3
249.91962	2.1
286.75629	2.6
297.13882	2.7
313.18188	3.2
319.32901	2.2
336.00192	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	371.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59304	1.0
64.80914	1.1
64.84711	1.0
69.89562	6.2
77.76103	1.1
79.54974	0.9
85.02862	1.2
85.11047	1.3
98.20454	1.9
191.05588	100.0
192.05963	3.2
193.98297	1.1
251.65875	1.1
265.03604	1.8
371.12000	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	371.1357
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
55.01775	1.2
58.00490	4.2
59.01265	100.0
60.01588	1.1
64.48460	0.7
71.01272	41.4
71.58212	1.2
72.01608	1.3
72.99199	4.2
73.02824	1.4
83.01267	2.6
85.02845	7.8
87.00765	1.8
89.02339	43.7
95.01283	3.2
96.95892	2.0
101.01694	1.6
101.02348	28.6
109.02865	0.9
113.02355	15.4
119.03416	19.1
121.02922	0.8
125.02381	2.6
125.10375	0.8
131.03421	0.9
139.00294	1.2
143.03439	1.6
149.04494	1.5
149.05984	0.8
151.04004	1.0
161.04517	2.0
179.05545	2.4
191.07108	1.2
192.42087	0.8
201.01974	0.9
209.08221	1.1
231.26901	0.9
245.01106	1.0
286.98428	1.2
294.55377	1.1
298.98169	0.8
299.99136	2.7
300.99908	3.9
316.99582	1.1
343.44345	0.9
350.14566	0.9
371.13538	76.4
372.03775	2.3
372.13861	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	371.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26254	5.0
54.57018	4.2
59.01265	70.2
61.98704	8.4
65.24014	4.5
66.37724	4.7
68.94899	4.6
71.01266	19.9
71.60128	7.9
73.02814	6.9
85.02821	6.8
89.02314	9.8
101.02343	17.0
109.42381	4.4
113.02382	10.6
121.97119	4.7
123.44242	4.6
124.01548	5.3
160.44778	4.4
161.04463	5.8
166.30086	4.4
169.01355	7.3
171.10164	6.2
176.01083	4.8
185.11761	5.8
286.58481	5.8
341.23358	8.9
371.18811	15.6
371.24448	100.0
372.24640	10.1
384.84048	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	371.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	3.0
59.01264	18.4
68.99708	2.0
69.03339	1.6
69.49113	5.8
69.49511	1.5
71.01270	15.5
71.55024	0.8
72.99200	4.4
73.02826	1.4
75.00764	16.8
81.03327	0.8
83.01261	1.3
85.02843	17.7
86.03200	1.0
87.00775	8.2
89.02348	4.9
91.03881	1.0
93.03369	1.2
95.01276	5.5
99.00793	10.4
101.02345	0.9
103.00273	2.5
109.02848	1.4
111.00832	1.5
113.02361	27.9
115.00316	1.9
117.01873	3.5
118.69867	0.7
121.02877	100.0
122.03206	3.3
122.77155	0.7
129.01862	2.2
151.11552	0.7
157.01431	1.1
175.02414	2.0
184.21152	0.7
189.04044	1.6
231.05118	7.9
249.06198	80.3
250.06586	4.7
353.08945	2.1
358.77377	0.8
371.09918	72.2
372.10199	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	371.0418
Annotation	Repenol
Peak:m/z	Relative Intensity
59.01264	2.3
61.98719	0.4
70.90984	0.8
71.01247	1.1
82.31585	0.3
85.02835	0.3
86.67050	0.3
89.02298	0.4
94.30160	0.3
94.64455	0.3
101.02316	0.4
113.02383	0.4
119.03439	0.3
121.02866	0.5
127.75974	0.3
137.02325	0.3
173.31294	0.4
197.02415	0.8
197.06049	0.4
199.04030	0.3
200.04733	2.0
205.68065	0.3
211.04042	0.5
213.01907	1.2
225.01930	0.3
226.02724	0.3
227.03391	1.2
228.04251	3.4
240.04344	0.5
241.01421	1.1
249.06068	0.5
253.01416	0.7
254.02097	1.1
255.02979	2.1
256.03815	6.9
256.55344	0.3
257.04199	0.7
269.00949	19.0
270.01254	1.4
281.00967	1.3
282.01767	4.5
283.02524	27.9
284.03253	17.6
284.06558	0.4
285.03668	1.3
295.02591	1.3
297.00439	12.7
298.00974	0.8
309.00610	1.6
311.02029	62.4
312.02747	26.5
313.03067	1.6
316.02313	0.7
327.05154	100.0
328.05496	9.6
371.04169	1.1
371.19870	0.5
371.24713	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.12
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07084	0.3
55.01768	3.2
57.03333	0.6
59.01263	4.1
61.98704	0.7
64.21254	0.4
65.99742	0.6
67.01767	1.2
68.67181	0.3
68.87371	0.3
69.03343	100.0
70.03671	2.0
71.01266	2.6
71.16856	0.9
72.99195	2.0
76.26286	0.3
78.12184	0.4
79.01812	1.3
83.01283	0.9
85.02844	3.3
86.16859	0.4
89.02341	0.6
93.03357	0.5
95.01283	2.8
96.95936	0.5
97.02849	19.9
98.03179	0.5
99.00780	24.5
100.01063	0.4
101.02346	0.9
107.01290	1.8
109.02830	0.5
111.00782	1.1
113.02369	0.8
123.00807	3.1
123.04459	0.5
125.02361	5.2
126.02749	0.4
129.01845	0.5
134.02321	0.4
137.02383	1.3
137.09645	1.0
139.00298	0.7
140.01129	0.6
141.01872	7.2
141.55740	0.4
161.02368	1.4
163.00334	0.5
166.99828	0.6
168.00584	1.2
169.01385	6.4
170.01695	0.6
177.16168	0.4
183.10204	1.4
185.00887	57.7
186.01208	2.2
189.01929	0.5
191.03517	0.6
205.03470	0.6
208.02522	0.5
223.04593	1.4
245.01004	0.6
261.00449	2.5
269.04623	0.7
273.04706	0.5
273.54907	1.2
293.05487	1.7
349.55258	0.6
369.11948	16.8
369.15598	1.1
370.12268	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	3.5
57.03336	14.9
59.01258	4.2
67.01777	0.8
68.99695	0.7
69.84804	2.0
69.85236	1.8
71.01272	5.7
72.99181	1.0
73.02831	1.2
75.00761	1.7
75.38889	0.6
77.92312	0.6
81.52756	0.6
83.01274	6.9
84.02052	1.7
85.02843	65.0
86.03173	1.2
87.00770	2.7
88.57472	0.6
93.03378	1.2
98.19720	0.7
101.02354	7.5
103.00235	0.7
103.03918	0.9
111.00787	27.0
112.01131	1.3
119.04958	4.8
123.04393	1.0
129.01862	22.8
147.02899	2.8
151.03938	1.4
161.04488	1.2
163.03920	3.7
173.00920	0.6
173.04514	5.3
187.02438	1.7
191.05701	0.7
195.02945	1.0
205.03520	25.9
206.03876	1.0
207.03011	0.6
223.04594	100.0
224.04964	3.5
369.08170	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.12
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	100.0
60.01611	1.1
62.91312	0.3
69.03355	0.6
70.39886	0.3
71.01273	2.8
71.60112	0.7
72.99210	0.6
75.73682	0.4
83.01311	0.6
85.02869	2.2
89.02330	2.3
90.71880	0.4
95.01314	0.6
96.56509	0.4
101.02351	1.7
109.99995	0.5
113.02341	3.5
119.03411	1.6
119.04902	0.4
123.00858	0.5
125.02361	0.8
133.06500	0.5
139.00276	0.5
147.04466	80.4
148.04814	4.1
151.00237	0.6
153.75186	0.4
154.99782	0.4
161.04666	0.7
161.06027	3.1
165.20934	0.4
166.21077	0.4
169.01329	1.0
177.01932	0.5
178.02460	0.4
189.01866	0.8
189.05566	2.2
205.03477	0.5
219.06645	0.8
251.60219	0.4
261.00354	0.9
309.09988	0.8
369.04843	1.3
369.13626	1.3
370.05499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39807	2.2
57.03344	15.0
59.01264	8.3
63.33653	2.0
67.01785	5.0
69.03345	3.9
69.81606	12.6
71.01264	8.5
73.02823	3.8
75.00787	3.5
78.89770	1.8
83.01268	7.5
84.02058	3.1
85.02843	72.2
87.00786	5.8
93.03360	29.0
97.02852	6.4
99.00735	3.5
101.02357	5.8
108.02071	3.7
109.02886	3.7
111.00792	29.4
111.04426	3.3
119.04941	11.6
121.02877	3.3
123.00821	3.2
123.04452	12.5
123.26134	2.2
125.02395	3.2
129.01869	26.5
133.02876	7.5
135.00800	7.7
137.02394	3.5
141.01845	5.2
145.03001	2.7
147.02904	3.5
149.02351	2.5
151.03955	26.1
161.04483	2.1
163.00339	13.7
163.03952	5.6
167.47562	2.0
173.04514	65.1
174.04872	2.1
175.00179	2.1
177.01897	5.8
190.99860	46.2
191.05594	14.7
192.00632	100.0
193.01016	5.1
195.02972	17.0
205.03548	32.3
206.02223	23.5
207.02991	100.0
208.03291	5.0
218.93800	2.0
223.04607	95.5
224.04924	4.9
259.26758	2.5
369.08356	71.6
369.12344	2.9
370.08527	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	369.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29080	0.5
55.01771	3.8
56.32025	0.5
57.03340	16.7
58.03674	0.5
59.01265	2.2
61.98700	0.9
67.01776	1.2
69.80539	1.4
69.80932	1.5
71.01272	6.1
72.99197	1.3
73.02834	2.2
75.00780	1.5
81.03353	0.7
83.01276	9.7
84.01608	0.6
84.02057	2.4
85.02845	100.0
86.03191	1.7
87.00784	1.4
89.03847	0.7
92.96880	0.5
93.03368	1.4
98.20447	0.7
98.67418	0.6
99.00793	0.7
101.02347	4.6
105.03330	0.6
109.02866	0.6
111.00793	26.8
119.04947	9.1
121.02918	0.6
123.04434	2.6
125.02344	0.6
129.01865	47.5
130.02229	1.1
133.02881	3.3
135.04434	0.6
145.02896	2.2
147.02972	0.8
151.03967	3.9
154.75461	0.5
161.04539	2.9
163.03970	9.6
164.04500	0.7
173.04514	2.1
177.03992	1.0
177.09645	0.6
179.05571	0.7
187.02472	2.0
191.05551	3.5
195.03027	4.1
205.03528	29.6
206.03876	1.5
207.02943	0.8
223.04596	51.4
224.04977	3.3
330.28403	0.6
346.92346	0.6
369.08334	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0836
Annotation	Fraxin
Peak:m/z	Relative Intensity
55.01766	3.4
57.03339	14.1
59.01266	4.6
60.01607	0.3
65.66932	0.3
67.01780	1.0
68.99699	1.1
69.95532	1.9
71.01272	7.1
72.99196	1.9
73.02831	2.2
75.00767	2.9
77.64608	0.3
83.01278	9.2
84.02057	2.0
85.02844	76.9
85.80938	0.3
86.03174	1.7
87.00759	2.2
88.01570	0.7
93.03363	0.5
95.44745	0.3
95.69218	0.3
98.20589	0.3
99.00797	0.6
101.02352	7.8
103.00272	1.0
103.03890	0.9
103.39785	0.3
111.00790	34.0
112.01157	0.8
119.04939	5.1
125.02415	0.5
127.73930	0.3
129.01863	26.5
130.02194	0.9
133.04968	0.6
143.03394	0.4
145.02869	0.7
147.02948	2.4
147.04012	0.4
151.03937	0.8
156.83354	0.4
159.02922	0.4
161.04524	1.9
161.05641	0.3
163.03929	3.7
173.00894	0.4
173.04492	0.5
187.02394	2.1
190.99800	0.5
191.05598	0.4
192.00592	4.4
205.03520	30.9
206.02115	0.4
206.03862	1.3
207.02980	4.7
223.04597	100.0
224.04921	4.8
224.77057	0.3
238.43425	0.3
245.65450	0.3
262.29770	0.4
340.37482	0.3
369.08362	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	369.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	3.0
55.94576	0.5
57.03337	19.6
59.01274	2.7
67.01768	1.0
68.99706	0.7
71.01270	4.6
71.10591	1.2
72.99197	1.4
73.02833	2.1
75.00765	1.8
83.01276	8.5
84.02077	1.9
85.02846	100.0
86.03174	2.8
87.00790	0.9
93.03357	0.6
93.09067	0.6
96.95909	0.8
98.20224	0.9
101.02358	3.6
109.63496	0.6
111.00794	29.1
112.01161	0.8
119.04956	9.5
125.02364	0.6
126.92596	0.6
129.01868	48.5
130.02194	2.2
145.02943	1.2
147.02971	0.9
154.03996	0.6
161.04520	2.6
163.03963	9.8
164.04271	1.1
173.04530	2.5
177.04095	0.7
179.05545	0.7
187.02440	2.8
195.03214	0.6
205.03517	27.7
206.03931	1.5
223.04602	44.3
224.04886	1.8
237.07521	0.6
287.31464	0.8
369.08301	1.9
375.61075	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	4.0
57.03079	1.4
57.03338	16.2
59.01270	2.3
67.01773	1.3
68.99693	0.9
69.90928	4.3
71.01275	5.9
72.99207	1.5
73.02839	3.1
75.00767	2.4
83.01283	8.1
84.02077	2.4
85.02843	100.0
86.03184	2.1
87.00787	1.0
96.96904	1.2
99.00780	1.4
101.02326	4.3
111.00793	30.0
111.01575	1.7
112.01136	0.9
119.04948	10.8
121.06529	0.9
129.01866	46.0
130.02184	1.4
134.36269	0.8
145.02887	1.9
147.04550	1.0
149.05980	2.4
161.04474	3.4
161.05853	0.9
163.03949	9.9
164.01170	1.0
177.04044	0.9
177.05522	0.8
180.30550	0.7
187.02411	2.7
187.03940	1.0
191.03549	1.3
191.05562	1.1
192.86014	0.8
193.04964	0.9
193.70282	0.8
205.03490	25.3
205.05122	3.4
206.03685	1.4
219.02921	1.1
223.04596	48.0
224.04985	2.8
249.03856	1.2
271.28116	0.8
325.05640	1.9
337.02176	1.7
369.08435	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	365.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95663	42.9
59.01270	100.0
68.29140	34.0
70.97542	57.1
70.97883	81.5
81.37251	39.7
82.77354	41.2
105.53017	35.6
110.02246	35.9
113.10184	37.0
178.76396	38.3
197.81488	38.2
212.05156	42.0
384.22165	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	7.6
69.03342	2.2
71.01291	1.0
71.26331	0.4
71.56940	0.5
73.02840	3.2
79.01798	0.8
83.01277	0.5
85.02847	1.0
89.02372	0.6
95.01300	1.3
96.95933	1.3
97.02854	42.9
98.03216	1.2
99.00772	0.4
101.02361	1.3
109.77197	0.3
113.02364	0.7
118.56767	0.4
123.00813	1.2
125.02379	1.3
135.08060	1.1
137.02380	1.0
137.09639	7.0
137.10616	0.6
138.09993	0.4
155.10724	100.0
156.11050	5.3
161.02422	0.6
161.04506	1.4
168.00592	0.5
169.01367	1.1
170.01776	0.4
181.38144	0.4
199.09743	90.4
200.10106	5.3
224.55264	0.4
261.00433	0.4
291.07944	0.7
307.10416	0.8
307.17706	1.2
367.10388	7.1
367.17880	1.0
368.10876	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2651
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
55.79895	0.6
59.01261	1.6
65.11097	0.7
71.01284	0.6
71.60818	0.9
85.16268	0.6
85.45100	0.6
95.97694	0.6
110.23242	0.6
133.06532	9.1
136.63229	0.6
139.91658	0.6
149.09663	83.0
150.09999	4.2
156.84755	0.6
161.04549	0.7
168.65771	0.6
183.01201	0.8
194.09396	0.9
197.02766	1.0
205.15970	48.9
206.16319	3.1
209.04155	0.8
210.10651	0.7
277.78421	0.6
295.17065	3.8
296.17578	1.1
306.14291	0.8
328.16812	2.5
351.27063	0.8
367.26495	100.0
368.22647	1.2
368.26855	14.9
368.30402	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04920	1.3
59.01266	100.0
69.66500	9.5
95.57540	1.3
98.20528	2.6
102.78445	1.3
104.06402	1.3
132.24701	1.6
270.14886	1.3
361.27740	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	362.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59978	0.4
59.01265	100.0
60.01596	0.8
69.34945	1.5
69.35367	2.9
71.01281	1.0
72.99217	0.7
95.02859	0.5
98.15766	0.4
99.00798	0.5
101.12208	0.4
109.02903	0.5
111.00788	0.5
112.06496	0.4
125.02361	0.5
137.02448	0.7
139.03770	0.4
140.07108	72.2
141.07457	3.3
148.67227	0.5
149.02365	0.4
163.04054	0.4
170.37029	0.4
177.01830	0.5
207.02962	0.4
214.99454	0.4
302.12482	2.9
344.07822	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29017	0.3
56.78746	0.4
57.03331	1.7
58.00464	0.7
58.51312	0.4
59.00990	0.8
59.01266	11.0
61.98703	1.2
67.01778	1.2
68.99696	0.9
69.61674	2.0
71.01270	13.5
72.99194	4.4
73.02840	0.9
75.00764	14.3
78.73261	0.4
80.23708	0.3
81.03365	0.4
83.01292	1.1
85.02844	14.4
87.00771	6.2
89.02336	3.2
93.03340	0.5
95.01283	3.8
98.19862	0.7
99.00779	8.3
101.02367	0.8
103.00277	2.0
111.00796	1.5
113.02363	20.9
115.00298	1.7
115.07563	100.0
116.07891	3.2
117.01848	2.5
123.00777	0.8
123.04453	0.4
125.02364	1.7
129.01851	1.1
131.03424	0.7
139.00284	1.8
140.01053	0.5
157.01366	1.2
166.99768	0.9
169.01402	1.9
175.02490	3.0
175.03867	0.7
189.03835	0.5
205.07166	1.0
223.08195	0.5
231.05162	1.6
249.06197	16.2
250.06558	0.8
252.39761	0.5
267.07303	1.9
290.07202	1.0
305.12323	1.0
347.13452	3.6
365.14569	81.5
366.14975	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	360.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76221	0.7
56.35747	0.8
59.01264	100.0
60.67106	0.8
62.02446	0.7
69.72135	5.3
71.01264	7.3
76.70171	0.7
83.01289	0.8
85.02840	2.0
87.00771	1.6
89.02341	1.0
98.20509	1.9
100.13858	0.9
101.02320	1.7
109.02854	1.8
113.02364	1.7
117.03350	3.7
119.04929	3.7
123.00780	1.2
123.03167	1.8
123.04388	0.9
124.07578	1.0
125.02325	0.9
138.01903	2.6
138.05540	61.0
139.05875	2.3
141.09113	1.4
145.02890	29.8
149.02324	1.1
151.04004	0.8
163.03978	3.4
165.01897	1.3
180.06691	1.9
187.03983	0.9
198.99966	1.3
221.77341	0.9
273.04266	0.9
285.13571	1.2
289.07260	0.9
300.10950	29.5
301.11206	2.3
317.06647	3.3
325.09369	8.4
329.12445	13.6
361.05719	2.0
361.14658	0.9
382.88565	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1513
Annotation	Gibboside
Peak:m/z	Relative Intensity
50.44589	0.4
51.49780	0.4
58.00484	0.8
59.01265	4.6
60.79732	0.4
66.04611	0.4
69.03324	0.8
71.01270	3.1
73.02837	2.8
73.63902	0.4
77.08773	0.5
82.78403	0.4
85.02850	2.3
87.04407	2.4
89.02351	0.7
95.01305	0.5
98.19770	1.1
101.02363	1.3
107.01318	0.6
113.02358	2.7
117.03344	0.8
125.02396	0.7
126.23765	0.5
134.01819	0.5
135.08058	1.6
137.09657	9.6
139.11220	0.6
140.68213	0.5
151.00430	0.6
155.10719	100.0
156.11047	4.9
159.22757	0.5
161.04529	0.8
167.49284	0.4
169.12320	1.0
169.64499	0.4
173.04517	0.4
181.08647	1.2
187.25278	0.5
199.09735	82.4
200.10062	4.5
213.11316	1.2
219.73857	0.4
229.57773	0.4
241.10875	4.2
260.09326	0.4
268.03775	1.6
269.04620	14.0
270.04935	1.6
284.07266	0.6
284.57495	0.7
288.07513	1.2
361.09610	0.7
361.15311	0.7
374.94772	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.0
59.01268	2.7
65.34510	0.2
68.86086	0.2
69.03349	0.3
71.01257	0.3
71.22803	0.5
72.99194	0.2
74.75160	0.2
74.93242	0.2
82.30610	0.2
123.00856	0.4
125.02350	0.5
127.11266	0.4
137.06003	0.4
137.09625	0.3
140.01118	0.3
141.12788	0.7
151.00275	0.2
159.14566	0.2
169.01340	0.8
185.11780	0.7
185.99619	0.3
211.02466	0.3
217.00317	1.1
232.03154	0.3
246.21852	0.2
267.23224	0.2
271.22812	0.3
279.78217	0.3
285.97665	3.1
295.22830	0.4
301.00055	1.0
311.22498	0.6
311.26074	0.9
313.23956	6.1
313.97128	7.7
314.24371	0.8
314.97363	0.8
315.01123	0.3
315.98682	0.4
328.99484	10.1
329.99854	1.0
339.25192	0.2
341.27072	1.7
344.01797	8.4
344.05963	0.4
345.02087	1.2
357.26447	1.1
359.04272	6.1
359.12695	3.1
359.28119	100.0
359.62747	1.1
360.04584	0.6
360.13193	0.5
360.28464	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	360.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96856	0.2
59.01263	6.0
62.18325	0.2
65.66280	0.2
68.92849	0.3
69.42440	0.2
71.01283	0.5
71.38021	0.5
80.54344	0.2
89.02338	0.3
101.02363	0.2
101.98845	0.2
108.02085	8.0
119.03450	0.3
121.02921	0.4
137.02449	0.2
138.01906	100.0
139.01450	0.3
139.02272	3.1
145.02808	0.2
151.02696	0.6
160.03947	0.3
169.01392	0.3
180.03024	0.5
183.93143	0.2
199.09688	0.3
200.42883	0.2
275.86282	0.2
278.87738	0.2
278.90955	0.2
361.15097	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93614	2.2
59.01250	8.1
69.03312	3.3
71.01269	5.0
71.58567	3.5
71.58937	2.6
92.16376	2.1
95.01279	7.3
97.02834	3.6
99.04354	2.2
111.00787	9.9
113.02343	3.2
114.74572	2.1
123.00831	15.9
125.02399	3.8
137.02383	2.5
139.00322	20.8
141.01910	15.1
153.01859	16.4
166.99809	90.1
168.00175	3.6
173.04488	10.8
173.65392	2.3
185.00896	100.0
186.01245	4.4
191.05569	21.2
195.61867	2.2
255.71042	2.3
257.07852	5.3
310.79248	2.4
315.07007	2.6
324.05475	2.3
359.06113	6.6
359.10373	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	359.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.9
59.01266	27.1
70.65948	2.6
79.65819	0.8
121.62425	1.0
130.20139	0.8
137.05992	1.3
138.01868	0.8
148.42854	0.8
149.82751	1.1
151.47400	0.7
205.19415	0.8
277.21786	100.0
278.22137	8.9
359.22125	22.5
359.26456	1.7
360.22430	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	359.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97088	0.1
57.03344	1.0
58.22328	0.1
59.01260	0.2
69.03349	0.3
70.36079	0.5
77.32863	0.1
92.70471	0.1
103.87496	0.1
104.12341	0.1
111.08007	0.2
125.02364	0.4
127.11184	0.4
137.09624	0.3
138.05507	0.1
139.11124	0.1
140.00912	0.1
141.12782	0.3
155.10666	0.2
167.02243	0.1
169.01385	0.3
185.11777	0.4
212.18204	0.1
247.82588	0.1
253.21971	0.1
253.52530	0.1
267.23401	0.1
271.22754	0.2
279.25180	0.1
287.22177	0.2
295.22864	0.5
311.22357	0.6
311.26025	1.0
313.23911	6.3
314.24344	0.6
322.72595	0.1
325.23853	0.3
339.25458	0.4
341.27026	1.8
342.27252	0.2
357.26566	1.2
359.28104	100.0
359.62683	0.2
360.13409	0.2
360.28445	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	357.2655
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
52.38845	0.3
59.01264	1.9
63.29871	0.3
71.38955	0.6
73.02863	0.4
81.42876	0.3
89.12852	0.4
91.87749	0.3
97.06538	0.4
121.02864	2.3
125.07202	0.4
125.09602	0.4
131.73561	0.4
134.84821	0.3
139.11205	0.5
141.12753	0.4
157.31314	0.4
165.01915	0.4
185.10280	0.4
185.11772	2.4
198.69313	0.3
227.16516	1.4
297.11844	0.4
297.24377	2.1
309.24658	1.8
311.25867	0.4
321.24530	0.9
325.23923	0.8
327.25479	17.5
328.25903	2.0
339.25473	3.5
340.25922	0.5
355.25140	0.8
357.26535	100.0
358.26892	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	358.0213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	1.1
61.11531	0.3
65.98478	0.3
65.99727	0.3
69.39111	2.2
71.01272	3.4
72.01601	0.3
73.02806	0.8
80.81638	0.3
83.01257	0.5
85.02815	1.2
89.02316	0.4
101.02375	1.5
113.02361	1.3
117.03358	0.5
123.04353	0.3
132.02054	0.3
139.07545	0.9
144.02039	0.5
145.02820	1.2
147.04424	0.6
148.01566	0.7
159.02905	0.4
159.04379	0.4
160.01558	0.9
161.02345	1.2
161.04509	1.7
163.03893	0.7
166.98170	0.3
169.01407	0.4
171.00858	0.3
171.04411	0.4
172.01588	2.4
173.02342	1.2
175.00288	0.3
175.03944	0.8
176.01146	0.5
177.01840	0.9
183.27495	0.3
184.04062	0.3
185.02367	0.9
187.00247	0.5
187.03989	0.4
188.01054	1.0
189.01886	2.2
190.02722	2.8
191.03453	1.7
197.02402	0.5
197.97852	0.3
199.00357	0.3
200.01149	2.2
201.01976	1.6
202.02739	0.4
202.99886	0.6
203.03462	1.0
204.00621	0.3
205.01396	0.7
213.01921	1.0
214.99767	0.7
215.03479	0.9
216.00682	4.0
217.01401	2.3
218.02238	2.3
219.02940	1.0
222.01755	0.3
226.99867	0.6
228.00604	2.8
229.01440	2.6
230.02171	0.7
230.99489	0.6
233.00903	1.3
240.03014	0.4
241.01443	0.9
242.04552	0.5
242.99338	2.8
243.03015	2.2
244.00189	5.6
245.00917	5.2
246.01645	2.0
246.98813	1.0
247.02547	6.0
256.00043	0.4
257.00955	2.7
259.02304	0.4
259.99664	0.4
261.00513	2.0
268.02530	1.2
269.00729	1.3
270.00586	0.8
270.04169	1.3
270.98901	5.0
271.99649	6.0
273.00461	11.3
274.01233	14.5
275.01587	1.0
282.98831	1.7
283.04459	0.3
283.99561	0.5
285.00507	1.0
287.01993	0.9
289.00076	0.6
291.01483	0.7
296.02097	5.2
297.02432	0.3
298.98245	6.7
299.99173	100.0
300.99823	23.3
302.00302	1.7
303.00333	0.5
312.01392	0.5
313.00000	2.2
313.99811	0.7
314.03189	7.3
315.00269	2.8
316.01031	1.2
316.99469	3.8
318.00241	7.0
319.00577	0.6
323.00925	0.4
330.02454	0.3
340.01050	23.5
341.01416	2.4
358.02121	33.9
359.02557	3.4
375.45850	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63102	0.3
59.01267	2.4
61.98717	100.0
62.01485	0.5
67.53410	0.4
69.69934	0.3
69.94604	0.6
69.95001	1.4
71.01273	0.4
86.55343	0.4
121.02858	1.5
209.24457	0.4
221.15495	0.8
301.00018	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	1.2
59.01247	0.4
66.19096	0.2
69.03352	0.2
70.78507	0.1
71.01298	0.2
71.01727	0.4
71.04893	0.2
82.28447	0.2
83.04906	0.3
93.07006	1.8
93.13782	0.2
97.06477	0.4
111.08057	0.4
123.08069	0.3
125.09607	0.3
139.11230	0.8
155.14325	0.2
157.29990	0.1
166.98936	0.2
169.12323	0.2
171.10179	0.2
172.05176	0.2
185.11777	0.2
199.13571	0.1
200.04572	0.2
227.16524	7.9
228.16862	0.4
267.23309	0.5
269.21371	0.2
293.21246	0.5
297.24365	1.4
302.00116	0.2
303.23523	0.2
309.24347	1.1
311.22382	3.1
311.25818	0.2
312.22760	0.4
313.13052	0.2
321.24243	0.2
327.25461	8.2
328.25830	0.9
339.25540	1.3
355.24979	0.2
357.26520	100.0
358.26859	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	357.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88755	0.1
57.03344	0.3
58.00495	0.1
59.01261	0.6
69.32747	0.9
69.33158	0.3
71.04950	0.2
73.02856	0.2
82.96996	0.1
101.05348	0.1
107.01350	0.2
121.02898	0.1
121.10146	0.3
123.00752	0.1
125.02370	0.6
126.92026	0.1
130.53133	0.1
139.11250	0.6
141.12808	0.5
153.12761	0.2
155.14398	0.1
157.12305	0.2
161.45045	0.1
168.64200	0.1
169.01413	0.5
183.01175	0.2
185.11800	4.4
186.12167	0.2
199.13377	1.2
282.07492	0.7
291.23346	0.3
295.22794	0.1
297.24374	2.7
298.24658	0.2
302.00476	0.2
303.23340	0.2
309.24414	1.9
310.24713	0.2
311.26056	0.5
319.22900	0.2
321.24393	0.6
325.24014	1.3
327.25482	19.2
328.25851	2.1
337.23959	0.2
339.25443	3.7
340.25818	0.5
355.24963	1.2
356.25406	0.2
357.26535	100.0
358.26871	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	355.2287
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
51.92049	1.2
59.01264	13.9
68.85036	1.2
71.01291	1.5
76.93538	1.3
77.94023	1.4
85.02852	3.5
101.02411	1.6
107.11154	1.2
109.02836	2.6
109.78161	1.4
111.00813	1.6
116.40440	1.5
122.03648	9.1
127.07583	1.7
133.06505	1.8
135.04443	23.8
147.08038	2.2
147.46111	1.2
149.09656	7.0
154.02635	2.0
161.04538	1.6
161.09685	9.3
163.07568	2.5
163.11237	45.4
164.08395	15.9
164.11594	2.1
165.09166	9.4
173.24251	1.4
177.09177	68.1
178.09940	18.3
179.10738	66.5
180.11090	3.1
191.10750	11.0
193.08693	8.6
257.15845	1.3
280.14761	3.1
298.15805	51.3
299.16144	5.0
321.18802	1.4
337.17694	2.9
337.21802	52.8
338.22110	7.3
340.16260	2.6
340.20496	88.3
341.20746	11.2
355.22873	100.0
356.23193	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	356.042
Annotation	Aristolochic acid IVa
Peak:m/z	Relative Intensity
55.70009	0.9
59.01257	4.1
63.02289	5.6
65.00196	4.5
69.84836	6.3
71.01305	1.1
77.23802	1.3
83.01272	3.7
84.38811	1.0
91.52605	1.0
93.03345	1.9
95.01267	1.8
95.04895	1.2
105.03387	1.6
107.01286	9.6
109.02866	5.1
111.00820	2.0
121.02845	3.6
123.00819	1.6
124.01578	2.4
125.02344	5.6
133.02884	1.2
135.00838	1.5
136.01627	2.1
137.02321	1.3
139.00256	2.7
148.04019	1.0
149.02425	4.9
151.00313	28.1
152.01041	4.7
161.02400	1.0
163.00311	3.7
164.01103	12.4
164.98216	2.5
165.01534	1.5
166.99832	1.0
169.01358	4.0
173.04561	1.6
175.00360	3.4
176.03445	2.1
177.01912	12.2
178.99821	29.0
180.00294	1.3
185.83025	1.1
186.01813	1.7
186.05414	1.4
187.04080	1.3
189.01917	3.2
190.02698	1.3
190.99838	1.8
192.00391	3.6
192.97899	1.0
193.01404	1.4
201.01991	1.5
202.01474	1.5
202.99832	6.1
203.03510	2.3
204.00528	1.7
204.02821	1.4
209.00438	1.4
214.02739	1.3
215.03508	3.2
216.02924	1.2
217.01372	3.3
219.03004	1.5
227.03410	2.8
228.03116	1.7
229.05032	1.6
230.00938	14.3
232.03802	1.3
239.03268	1.3
242.02324	1.5
243.03036	3.8
245.00937	4.3
245.04549	1.9
252.03174	1.9
255.03011	3.0
256.05954	1.1
257.04620	4.4
259.02524	2.5
259.99652	1.8
266.04892	1.2
270.03946	1.3
271.02505	6.6
271.99689	1.2
273.04083	1.2
282.04248	1.4
283.02588	2.1
284.05728	1.1
285.04099	6.1
287.02026	4.9
287.99188	1.4
288.02426	2.3
289.03629	6.4
294.04138	2.5
298.01389	1.3
299.01898	2.5
300.01877	1.2
300.99954	6.3
301.03574	3.0
310.03586	2.3
311.02014	6.2
312.01971	2.1
312.05197	8.1
315.01474	3.8
315.98795	7.4
316.02271	100.0
317.02548	9.7
329.03009	11.4
335.02463	1.1
338.03101	12.1
339.02997	1.6
356.00934	3.9
356.04114	61.5
357.04419	5.4
357.09366	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1044
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
50.03855	0.3
54.30114	0.3
57.03345	0.4
58.00507	0.4
59.01268	9.4
61.47451	0.3
63.79460	0.3
71.01275	5.1
71.48256	0.4
72.99217	0.9
77.25831	0.3
83.01273	0.3
85.02848	1.6
87.00798	0.3
89.02345	3.2
93.03352	1.4
95.01341	0.5
101.02351	2.1
109.02901	0.3
111.11613	0.3
113.02359	1.8
117.03395	0.7
119.03434	0.8
119.04971	1.0
121.02924	0.3
127.31959	0.3
132.02101	14.5
133.02403	0.9
133.06445	0.6
134.03671	8.7
135.04385	0.5
147.04424	0.8
148.01639	0.3
148.05267	0.4
149.06033	1.5
154.44235	0.3
160.01611	63.2
161.01949	3.7
162.17506	0.3
163.03943	1.0
168.59583	0.3
173.04510	3.6
174.03242	0.4
174.04845	0.4
175.03966	100.0
175.60158	0.3
176.04326	6.0
178.02594	0.4
181.04991	0.4
191.05568	0.5
191.07114	2.1
193.05038	17.7
194.05368	1.0
202.02757	0.8
207.06554	0.5
209.06555	0.3
217.05048	6.4
235.06165	2.7
265.07132	1.0
295.08267	1.9
296.08640	0.4
337.02100	0.7
345.17499	0.3
355.10474	7.7
356.10803	0.6
365.70505	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	2.4
57.03336	13.8
59.01264	14.3
64.51534	0.5
66.31029	0.5
67.01774	2.2
67.45676	0.4
69.03343	1.7
69.54031	2.4
69.54465	2.0
71.01271	10.3
72.99188	2.2
73.02837	1.9
75.00752	1.4
79.27043	0.5
81.03335	0.5
83.01285	2.2
84.02058	2.5
85.02844	100.0
86.03178	2.0
87.00774	3.2
89.02343	4.5
91.05448	0.6
93.03352	7.2
94.03709	0.5
95.01299	0.6
97.02840	0.7
98.19830	1.0
99.00771	2.0
101.02354	2.0
103.00271	2.0
105.03333	0.5
105.06983	0.6
107.04923	1.4
109.02886	0.9
111.00787	1.5
111.04428	1.1
113.02354	2.2
113.03064	0.5
115.00264	0.8
117.03362	0.9
117.06987	0.5
117.98913	0.5
119.03450	1.0
119.04963	5.9
121.02881	8.2
121.06493	1.8
123.00830	0.5
123.04435	0.9
124.01560	0.5
125.02354	1.2
129.01862	5.4
131.03409	0.5
133.01358	2.8
133.06529	5.7
134.03673	1.4
135.04475	4.5
137.02386	2.1
138.03169	1.6
145.02888	1.9
146.03644	0.5
147.02953	6.1
147.04172	0.8
148.42381	0.5
149.02393	4.9
149.06036	1.7
151.03931	4.0
151.07596	1.4
155.03387	0.9
159.04431	2.9
160.05138	1.0
161.02367	0.7
161.04672	0.7
161.06021	7.9
162.03203	2.3
163.02560	1.0
163.03952	18.0
163.06050	0.8
164.04732	2.9
165.01877	1.8
169.01324	2.9
173.00981	0.6
173.04512	14.9
173.43713	0.6
174.04845	0.6
175.03931	1.1
177.01900	0.6
177.05551	3.7
179.05676	0.9
179.07104	8.3
180.07475	0.8
181.05043	8.2
187.04001	5.0
188.04454	0.6
190.02670	3.1
191.01953	19.9
191.03368	0.7
191.05606	2.2
192.02161	0.7
193.01389	14.0
193.04977	0.7
194.01738	1.0
203.01904	2.5
203.03511	1.4
204.04150	0.6
205.05038	16.0
206.05392	1.2
209.03020	31.8
210.03326	1.2
221.04588	0.9
231.02991	0.7
233.00842	1.1
237.00452	1.4
249.04086	9.5
250.04369	0.7
265.05716	1.8
267.05081	0.7
275.02075	0.6
293.02994	2.7
295.10281	0.5
333.94714	0.5
337.02090	22.7
338.02493	2.3
355.03152	2.3
355.10547	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	355.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00482	0.5
59.01265	9.8
64.28674	0.4
71.01273	4.5
71.13802	0.8
72.99206	0.7
85.02856	1.6
89.02341	3.1
93.03368	1.5
93.79279	0.3
97.02865	0.4
101.02383	1.8
110.27573	0.4
111.04488	0.5
112.14385	0.3
113.02380	2.5
113.03040	0.4
119.03432	1.0
119.04961	0.6
119.10423	0.4
121.02892	0.7
125.02358	0.6
132.02100	12.8
133.06454	0.5
134.03667	12.8
135.04510	0.8
137.02361	1.0
145.02922	0.4
147.04491	0.7
149.06015	2.9
160.01613	68.8
161.01945	2.8
163.03955	1.0
165.01839	0.4
173.04520	4.2
174.04767	0.7
175.03969	100.0
176.04308	6.1
178.02681	2.8
179.03363	0.6
181.04932	0.4
191.05594	0.5
191.07112	1.8
193.01375	1.2
193.05034	21.3
194.05409	1.3
202.02710	1.1
207.06560	0.7
209.06697	0.5
217.05057	5.4
235.06084	2.8
265.07172	0.6
295.08197	1.9
355.06876	0.7
355.10513	7.2
356.10696	0.7
368.83398	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1045
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
57.03329	0.5
59.01266	10.0
70.63665	0.9
70.64012	0.9
71.01268	5.0
72.99203	1.0
85.02852	2.2
89.02334	3.7
93.03341	0.4
101.02348	2.3
101.41333	0.5
113.02373	1.7
113.30733	0.4
119.03445	1.1
119.04942	1.1
125.02366	1.0
129.01834	0.5
132.02106	12.2
133.02388	0.4
133.06546	1.1
134.03668	10.3
137.02379	0.9
147.04399	0.9
149.06013	2.4
151.03972	0.7
159.04468	0.6
160.01613	67.9
161.01936	3.5
161.04561	0.6
163.03940	1.6
175.03969	100.0
176.04333	6.0
187.04039	0.6
191.07101	2.2
193.01384	0.9
193.05045	18.3
194.05370	1.3
202.02715	1.0
205.04909	0.5
207.06610	0.6
209.06631	2.1
217.05055	5.8
218.05417	0.6
235.06146	3.7
265.07169	0.7
275.43454	0.4
295.08179	2.7
337.02072	1.2
355.06766	0.7
355.10480	7.3
356.10757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	2.4
57.03336	13.8
59.01264	14.3
64.51534	0.5
66.31029	0.5
67.01774	2.2
67.45676	0.4
69.03343	1.7
69.54031	2.4
69.54465	2.0
71.01271	10.3
72.99188	2.2
73.02837	1.9
75.00752	1.4
79.27043	0.5
81.03335	0.5
83.01285	2.2
84.02058	2.5
85.02844	100.0
86.03178	2.0
87.00774	3.2
89.02343	4.5
91.05448	0.6
93.03352	7.2
94.03709	0.5
95.01299	0.6
97.02840	0.7
98.19830	1.0
99.00771	2.0
101.02354	2.0
103.00271	2.0
105.03333	0.5
105.06983	0.6
107.04923	1.4
109.02886	0.9
111.00787	1.5
111.04428	1.1
113.02354	2.2
113.03064	0.5
115.00264	0.8
117.03362	0.9
117.06987	0.5
117.98913	0.5
119.03450	1.0
119.04963	5.9
121.02881	8.2
121.06493	1.8
123.00830	0.5
123.04435	0.9
124.01560	0.5
125.02354	1.2
129.01862	5.4
131.03409	0.5
133.01358	2.8
133.06529	5.7
134.03673	1.4
135.04475	4.5
137.02386	2.1
138.03169	1.6
145.02888	1.9
146.03644	0.5
147.02953	6.1
147.04172	0.8
148.42381	0.5
149.02393	4.9
149.06036	1.7
151.03931	4.0
151.07596	1.4
155.03387	0.9
159.04431	2.9
160.05138	1.0
161.02367	0.7
161.04672	0.7
161.06021	7.9
162.03203	2.3
163.02560	1.0
163.03952	18.0
163.06050	0.8
164.04732	2.9
165.01877	1.8
169.01324	2.9
173.00981	0.6
173.04512	14.9
173.43713	0.6
174.04845	0.6
175.03931	1.1
177.01900	0.6
177.05551	3.7
179.05676	0.9
179.07104	8.3
180.07475	0.8
181.05043	8.2
187.04001	5.0
188.04454	0.6
190.02670	3.1
191.01953	19.9
191.03368	0.7
191.05606	2.2
192.02161	0.7
193.01389	14.0
193.04977	0.7
194.01738	1.0
203.01904	2.5
203.03511	1.4
204.04150	0.6
205.05038	16.0
206.05392	1.2
209.03020	31.8
210.03326	1.2
221.04588	0.9
231.02991	0.7
233.00842	1.1
237.00452	1.4
249.04086	9.5
250.04369	0.7
265.05716	1.8
267.05081	0.7
275.02075	0.6
293.02994	2.7
295.10281	0.5
333.94714	0.5
337.02090	22.7
338.02493	2.3
355.03152	2.3
355.10547	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	355.0314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16247	0.4
54.30436	0.4
55.01758	0.8
59.01273	0.7
68.99675	0.4
69.88696	2.0
71.01249	0.9
73.02837	0.8
79.05395	0.5
91.05428	0.8
93.03362	1.4
97.02854	0.7
99.00790	3.7
105.03372	1.7
105.06991	1.4
107.04953	2.4
109.02845	0.9
111.00766	0.8
115.05453	0.5
117.03338	1.0
119.04932	2.5
121.02902	2.7
121.06511	3.3
123.04437	1.5
124.01608	1.1
125.02361	1.8
129.23662	0.4
131.04927	1.1
133.02881	0.7
133.06522	11.7
134.06831	0.7
135.04448	5.0
137.02379	2.6
138.03165	4.4
139.04002	0.5
143.04958	1.1
145.02893	4.1
146.03645	1.7
147.04434	0.7
149.02382	10.1
149.06032	4.2
150.03021	0.4
151.02878	0.4
151.03949	9.5
151.07591	3.2
152.04291	0.8
159.04482	6.5
160.05148	1.3
161.02368	1.3
161.06029	19.1
162.03195	4.4
162.06395	0.8
163.03951	28.0
164.01126	0.5
164.04744	5.7
165.01859	2.6
167.03534	0.5
168.19626	0.4
169.01390	1.0
173.04601	0.4
175.00249	0.4
175.03952	1.3
176.01042	0.5
177.01891	1.4
177.05534	8.5
179.07104	16.2
180.07471	0.7
181.04977	0.7
187.03973	12.3
188.04329	1.2
189.01889	0.8
190.02676	5.9
191.03397	1.8
193.01396	32.7
194.01700	2.0
195.02908	0.7
203.01888	0.5
203.03481	2.7
204.04247	0.7
205.05051	40.7
206.05415	2.4
219.03127	0.7
221.04561	1.7
223.06194	2.2
231.03018	1.5
233.00952	1.8
235.02344	0.4
237.00435	3.8
249.04070	36.0
250.04443	2.4
261.00391	0.9
265.05902	0.5
267.05179	1.5
275.02039	1.4
293.03079	8.9
294.03528	0.6
307.05438	0.4
311.04068	2.8
332.19180	0.5
336.36716	0.4
337.02087	100.0
338.02402	7.7
355.03162	8.3
356.03613	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50966	9.0
58.66684	9.7
59.01250	10.1
63.42927	8.7
69.89755	60.4
88.73755	10.0
93.71682	9.4
98.20519	13.8
100.46429	10.1
121.02851	13.2
121.06496	9.9
130.49135	9.9
132.68268	9.2
133.06461	15.5
135.04443	13.2
138.03168	16.7
145.02867	19.6
149.02354	36.4
149.05989	12.7
151.03934	27.9
159.04440	19.5
161.05971	12.3
162.03125	12.8
163.03911	29.8
164.04694	24.0
166.53503	8.9
177.05621	15.0
179.07088	19.9
184.97552	9.2
187.04022	12.6
188.68185	10.3
190.02693	24.0
193.01393	51.4
204.04309	10.2
205.04971	34.2
249.04013	26.2
337.02081	100.0
355.03412	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	353.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26210	0.7
55.19321	0.7
59.01267	3.9
59.36697	0.7
67.01773	3.6
69.89666	4.1
69.90071	1.3
71.01259	2.4
81.03354	1.0
85.02839	4.4
87.00786	1.7
87.06281	0.8
91.05419	1.1
93.03365	23.2
94.03661	1.0
106.04157	1.0
107.04926	5.9
108.02094	1.3
109.02849	5.0
111.00765	2.0
111.04430	4.3
123.04453	1.0
127.03889	0.9
128.70441	0.9
129.81003	0.8
133.02892	1.4
134.03683	1.8
135.04451	53.6
136.04860	2.0
137.02356	3.3
155.03464	5.3
161.02371	1.9
163.03906	1.1
173.04510	100.0
174.04839	4.5
179.03462	45.4
180.03815	2.8
191.05588	27.4
192.05930	1.4
210.95332	0.9
263.62335	1.0
279.05371	0.8
353.08917	8.5
354.09000	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0886
Annotation	Scopolin
Peak:m/z	Relative Intensity
53.54740	0.9
57.03318	1.4
59.01270	4.8
67.01752	5.5
69.03333	1.1
71.01273	3.1
71.37905	1.5
78.75179	0.8
83.04903	1.0
85.02846	5.9
87.00780	2.6
90.33624	0.9
93.03362	24.5
94.03718	1.2
95.01292	1.0
99.00784	1.0
101.06004	1.0
107.04937	6.1
108.02085	1.2
109.02873	5.0
111.00758	1.3
111.04440	6.0
123.04466	1.6
127.03942	1.3
130.02283	0.9
133.02905	1.6
134.03664	3.1
135.04451	59.0
136.04781	2.2
137.02382	4.1
145.02945	0.9
149.59969	0.8
155.03444	4.4
161.02432	1.9
173.04514	100.0
174.04857	3.5
179.03464	48.9
180.03784	2.1
191.05583	49.3
192.06021	2.0
343.34726	0.9
353.08853	10.1
354.09052	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2129
Annotation	Guayulin B
Peak:m/z	Relative Intensity
54.25674	0.2
59.01250	0.4
60.96246	0.2
70.72605	0.6
79.95621	1.2
96.95913	11.2
98.73205	0.2
107.04913	0.2
122.44860	0.2
122.97506	0.9
162.06908	0.2
163.11230	87.0
164.11578	5.5
176.60515	0.2
177.09171	65.7
178.09503	5.3
194.05820	0.3
197.02802	0.2
222.08955	0.7
299.37390	0.2
306.12595	0.2
353.21219	100.0
354.21609	14.5
362.57571	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.0
59.01257	5.6
60.99190	0.9
61.98733	1.7
63.65634	0.5
64.80890	0.5
65.76643	0.7
67.01780	7.2
69.03358	1.6
71.01265	4.3
72.99189	0.7
81.03362	2.3
83.04924	2.1
85.02843	14.7
87.00786	3.1
93.03358	39.3
94.03687	1.4
99.00788	0.8
99.04411	1.2
102.65699	0.6
107.04948	2.2
109.02894	3.0
111.00831	1.7
111.04430	7.3
113.02362	1.1
117.03403	0.7
125.02388	0.9
127.03967	3.3
133.02892	1.7
134.03688	6.2
135.04456	90.6
135.71928	0.7
136.04774	4.1
137.02374	6.4
153.01898	1.0
155.03456	6.4
161.02411	4.9
165.42012	0.6
169.01389	0.8
171.02922	0.9
173.04514	100.0
174.04831	4.9
176.01085	1.2
179.03462	66.8
180.03830	3.6
191.05586	65.4
192.05968	2.4
204.90749	0.6
306.07266	0.6
353.08841	13.4
354.09317	1.4
375.77927	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0887
Annotation	Cryptochlorogenic acid
Peak:m/z	Relative Intensity
59.01031	0.5
59.01264	5.3
62.72120	0.5
67.01765	2.3
69.80894	3.1
71.01258	1.8
85.02840	9.2
85.06473	0.9
87.00770	2.2
93.03362	10.5
98.20290	1.4
99.00728	0.6
99.04427	0.7
101.02322	0.6
107.04934	1.8
109.02872	1.5
111.00759	1.2
111.04427	2.9
125.02367	1.8
127.03913	2.4
131.07057	7.3
133.02843	1.2
134.03674	2.6
135.04448	40.7
136.04794	2.5
137.02367	1.8
153.01895	1.6
155.03442	2.0
161.02393	3.6
169.01302	0.9
171.02963	0.5
173.04506	33.1
174.04886	1.2
175.03944	0.6
179.03462	39.5
180.03813	2.0
191.05585	100.0
192.05878	3.3
193.01485	0.7
260.51917	0.5
286.83298	0.5
353.04791	1.4
353.08829	12.4
353.13177	0.9
354.09073	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49981	0.9
59.01257	5.1
64.82982	1.0
66.89853	0.9
67.01782	1.7
71.01263	2.8
81.03352	1.4
85.02847	8.2
87.00777	1.1
89.02312	1.0
91.05454	1.0
93.03358	11.9
95.01263	1.4
107.04945	6.4
108.02079	2.0
109.02875	8.9
111.04447	4.1
123.04505	1.5
125.02361	1.3
127.04005	1.4
134.03708	6.2
135.04453	71.0
136.04802	2.0
137.02390	1.4
155.03438	3.0
161.02414	2.8
173.04521	24.9
179.03462	69.0
180.03769	3.5
191.05586	100.0
192.05937	2.7
353.08853	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	353.016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	9.0
64.72493	1.0
71.01263	3.5
71.28339	1.5
79.05429	4.4
85.02861	1.9
89.02335	2.4
93.03381	2.1
93.07025	1.5
95.01292	1.2
99.00766	1.2
105.06992	2.1
107.04921	2.0
115.05418	2.7
118.04217	1.6
119.04977	2.2
121.02895	1.5
121.06498	3.5
124.01558	1.5
125.02362	1.3
131.03334	1.3
131.04921	6.8
133.06499	5.5
134.03699	2.9
135.04445	7.2
136.01587	1.6
137.02397	2.1
145.02927	1.2
147.04439	3.4
149.02414	1.5
149.06029	33.6
150.06303	1.4
151.03981	3.3
159.04463	19.3
160.04808	1.3
161.02368	1.9
162.03191	16.0
163.03909	2.3
164.01030	1.2
167.03432	2.9
173.04514	4.2
175.03963	10.0
177.05536	100.0
178.05920	6.4
179.03481	6.4
191.03523	4.4
191.05576	10.7
193.04993	5.3
203.03511	11.0
211.02534	1.4
219.02945	1.8
221.04565	83.2
222.04886	6.2
230.46751	1.0
231.49852	1.1
235.02519	3.4
247.02528	14.0
265.03592	47.1
266.03937	2.1
291.01462	2.1
293.08789	3.2
309.02628	3.8
341.76056	1.1
353.01474	3.1
353.14856	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	353.0159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.1
57.03345	1.9
59.01263	23.2
65.32408	1.4
67.01749	2.1
71.01264	16.2
72.99175	1.7
73.02827	5.3
74.99010	2.5
79.05405	6.9
83.04935	1.9
85.02841	11.1
87.00777	4.9
89.02333	11.0
89.24944	1.4
93.03358	22.2
98.20632	4.9
99.00778	3.3
99.04409	2.1
101.02333	6.6
105.06984	3.5
106.04154	1.9
107.04931	3.6
108.02111	1.7
109.02850	2.3
111.00760	5.9
111.04429	6.9
112.16035	1.6
112.98699	3.8
113.02345	5.8
115.05422	3.6
119.03442	2.7
119.04935	4.1
121.02854	1.6
121.06514	5.8
123.04440	2.2
124.01636	1.6
125.02423	1.8
129.01859	4.2
131.03403	5.6
131.04939	10.5
133.06502	6.0
134.03680	7.0
135.04453	40.8
136.04756	2.4
137.02351	5.9
143.03424	2.0
145.02895	1.8
147.04466	8.4
149.02356	2.7
149.06020	44.8
150.06432	2.4
151.03925	3.0
153.05409	2.4
155.03415	4.3
156.06635	1.5
158.03658	2.3
159.04453	21.5
160.04897	2.0
161.02356	5.4
161.04497	2.8
162.03163	19.0
163.03867	2.6
164.01085	2.3
167.03424	3.3
173.00864	2.0
173.04503	26.2
175.02501	2.4
175.03966	29.3
176.04436	2.2
177.05531	100.0
178.05843	6.5
179.03461	30.7
179.05287	2.6
179.05553	2.4
191.03517	6.3
191.05579	74.4
192.00600	3.0
192.06012	2.6
193.05014	5.1
200.45366	1.5
203.03468	22.8
204.03885	1.8
206.02222	1.7
208.05260	1.4
219.02931	3.2
221.04570	74.0
222.04912	5.6
230.33528	1.7
230.35901	2.2
235.02528	1.9
247.02512	31.7
247.05023	1.7
248.02921	1.7
265.03589	53.7
266.03799	3.0
291.01614	2.1
293.08911	8.3
309.02646	2.8
335.00598	9.6
353.01517	6.0
353.11392	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05295	0.4
59.01270	0.5
61.98720	100.0
63.65776	0.4
66.01406	0.4
66.49876	0.4
69.51976	1.9
69.52404	2.0
78.73985	0.4
85.02892	0.5
88.99034	0.4
98.20618	0.9
99.00796	0.7
106.29391	0.4
109.02934	0.7
111.00803	0.9
123.00780	0.5
124.01617	0.5
125.02386	1.5
137.02393	0.9
141.01967	0.5
153.01933	0.6
154.99823	0.5
159.88670	0.5
161.02531	0.6
165.01898	0.9
173.04492	0.7
179.03506	0.6
191.05539	0.6
211.70668	0.5
232.14021	0.5
246.19690	0.4
342.06061	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20330	0.5
57.03332	2.1
59.00992	0.7
59.01266	11.5
59.86296	0.5
61.98722	3.2
67.01781	0.7
68.99715	0.6
70.45121	1.0
70.45502	0.8
71.00890	0.8
71.01274	11.9
72.99204	3.8
73.02826	0.8
75.00769	13.7
78.04519	0.5
83.01292	0.6
85.02848	15.6
87.00765	6.5
89.02344	2.1
93.03362	1.6
95.01293	4.1
99.00788	7.8
101.05991	100.0
102.06324	1.9
103.00283	1.8
106.04150	1.5
108.02097	0.6
111.00801	1.2
113.02364	19.2
114.02672	0.6
115.00274	1.8
117.01870	2.3
122.62421	0.5
123.04488	2.9
123.15012	0.5
125.02418	0.6
126.02772	0.4
129.01855	1.0
133.02892	6.1
135.04468	1.6
137.02356	0.8
139.00328	0.6
145.02901	1.4
157.01360	0.8
173.04517	7.3
175.02467	2.5
177.02020	0.8
178.02695	1.8
221.96382	0.5
231.05070	1.5
249.06195	14.1
250.06691	0.7
254.48497	0.5
291.11105	1.2
333.11975	2.7
340.23026	0.5
351.13062	66.4
352.13422	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	351.0003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47967	1.3
58.48891	1.5
59.01265	7.1
71.01274	1.7
71.57001	2.0
89.03893	1.6
95.04958	2.6
96.95927	3.0
105.03395	5.5
107.01258	2.1
117.03405	6.0
119.04929	1.8
121.02892	2.6
123.04429	4.3
125.02360	3.4
133.02892	17.8
145.02916	5.9
147.04518	2.3
148.36194	1.5
149.02377	2.5
160.01628	2.2
161.01067	2.4
161.02400	43.1
162.02844	2.7
163.00305	2.3
163.03964	6.9
169.01384	2.8
171.00809	1.6
173.02452	3.8
175.03925	2.6
176.01088	1.4
177.01903	8.6
179.03551	1.5
184.60574	1.3
187.00346	2.7
189.01915	26.1
190.02591	4.8
191.03529	4.1
192.00656	1.5
193.01381	1.7
201.01988	1.9
202.99802	3.6
205.01485	7.4
206.02234	1.8
207.02910	2.2
214.99921	3.0
216.00676	2.9
217.01402	15.2
218.02116	3.5
233.00922	16.8
234.01552	2.0
235.02509	2.7
242.99399	3.6
244.00145	1.6
245.00958	11.2
246.01721	1.7
246.98972	3.0
252.84351	1.8
259.99564	2.7
261.00461	100.0
262.00858	6.2
263.01923	2.6
269.72458	1.5
270.98819	9.1
271.99557	2.3
273.00528	5.5
274.01202	7.2
286.98270	2.0
288.99991	14.9
299.99197	21.4
300.99936	12.3
307.01404	1.9
324.99908	2.2
332.98944	6.6
350.99783	7.0
351.14896	5.2
352.01047	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	351.0003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47967	1.3
58.48891	1.5
59.01265	7.1
71.01274	1.7
71.57001	2.0
89.03893	1.6
95.04958	2.6
96.95927	3.0
105.03395	5.5
107.01258	2.1
117.03405	6.0
119.04929	1.8
121.02892	2.6
123.04429	4.3
125.02360	3.4
133.02892	17.8
145.02916	5.9
147.04518	2.3
148.36194	1.5
149.02377	2.5
160.01628	2.2
161.01067	2.4
161.02400	43.1
162.02844	2.7
163.00305	2.3
163.03964	6.9
169.01384	2.8
171.00809	1.6
173.02452	3.8
175.03925	2.6
176.01088	1.4
177.01903	8.6
179.03551	1.5
184.60574	1.3
187.00346	2.7
189.01915	26.1
190.02591	4.8
191.03529	4.1
192.00656	1.5
193.01381	1.7
201.01988	1.9
202.99802	3.6
205.01485	7.4
206.02234	1.8
207.02910	2.2
214.99921	3.0
216.00676	2.9
217.01402	15.2
218.02116	3.5
233.00922	16.8
234.01552	2.0
235.02509	2.7
242.99399	3.6
244.00145	1.6
245.00958	11.2
246.01721	1.7
246.98972	3.0
252.84351	1.8
259.99564	2.7
261.00461	100.0
262.00858	6.2
263.01923	2.6
269.72458	1.5
270.98819	9.1
271.99557	2.3
273.00528	5.5
274.01202	7.2
286.98270	2.0
288.99991	14.9
299.99197	21.4
300.99936	12.3
307.01404	1.9
324.99908	2.2
332.98944	6.6
350.99783	7.0
351.14896	5.2
352.01047	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	350.089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.1
70.10057	0.4
71.01261	0.3
89.02333	0.2
98.19746	0.2
101.02319	0.2
106.73731	0.2
115.41318	0.1
122.98249	0.2
124.69303	0.1
144.04491	100.0
145.04840	5.0
188.09273	0.4
228.06825	0.2
233.74307	0.2
264.29303	0.2
295.99286	0.1
306.09924	1.1
350.08710	0.3
350.14636	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74726	5.7
54.58948	6.6
59.01249	21.1
63.02275	11.4
63.68385	6.3
65.00217	6.6
67.01754	7.5
68.99718	7.0
69.78787	41.3
71.01255	10.6
75.75549	5.9
79.01778	7.3
83.01263	15.6
95.01286	24.3
99.00765	13.0
107.01272	26.2
109.02847	10.7
111.00783	21.0
123.00785	58.1
125.02361	93.3
126.77975	6.2
127.64940	6.4
133.02815	7.4
139.00320	45.1
140.01038	14.0
140.26936	6.1
141.01848	21.9
142.63495	8.5
147.00833	6.8
149.02415	35.2
151.00319	69.9
152.01071	14.8
153.01895	38.2
159.04466	12.0
161.02341	7.9
163.00314	13.2
164.01137	7.4
165.01831	6.0
165.03615	6.2
165.98918	6.9
166.99846	55.0
168.00627	45.9
169.01416	47.9
175.03915	6.8
177.01857	20.0
178.99828	100.0
185.00877	9.2
190.99744	8.4
191.03510	7.4
193.01414	12.1
194.99318	36.7
197.00916	20.2
199.62321	7.6
202.99908	9.8
203.03500	10.1
205.01416	14.7
206.99329	86.1
209.00851	19.2
219.03017	6.8
222.98836	97.0
223.99548	24.8
231.02971	11.6
232.12071	7.0
233.00925	11.5
259.02686	10.4
261.00504	10.1
273.54956	15.6
275.98929	7.6
276.99936	29.8
286.98477	10.7
287.02097	18.6
301.00015	10.8
303.01624	15.1
305.03125	9.3
328.02945	6.6
331.00955	53.4
343.92230	6.4
348.98315	11.5
349.01859	33.9
349.12946	8.0
349.55365	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	345.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
60.01587	0.9
61.98689	0.8
71.58588	0.9
97.45532	0.7
178.55507	0.7
201.55638	0.8
211.13403	6.3
212.13892	0.6
250.65591	0.7
277.36319	0.8
285.17249	0.7
291.38629	0.7
345.17090	0.9
346.11423	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	100.0
60.01616	1.1
60.75190	0.7
61.98717	1.5
63.84523	0.8
70.82866	1.8
80.36184	0.7
84.38374	0.7
94.48844	0.7
98.19820	0.8
125.02346	1.0
140.19188	0.9
231.64908	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1716
Annotation	Gibberellin A44
Peak:m/z	Relative Intensity
55.57726	0.5
59.01272	2.1
61.98721	0.5
74.25951	0.4
91.85990	0.4
100.11022	0.4
123.04421	0.4
125.02350	0.5
137.15810	0.4
175.11240	1.7
177.15430	0.4
198.06725	0.5
199.11267	13.1
200.11710	0.9
213.09120	0.4
257.19144	11.5
258.19443	0.9
267.13965	38.6
268.14368	4.0
283.17111	37.0
284.17419	2.9
290.97147	1.0
301.18149	10.1
301.21362	0.9
302.18445	0.6
327.16104	1.7
345.17166	100.0
346.17499	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	344.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	2.2
61.08480	2.1
62.08846	2.0
65.99741	7.5
83.01284	6.3
95.04897	2.2
96.04475	3.7
97.02866	3.9
98.20533	8.7
99.00775	6.7
99.04395	2.8
109.02863	18.3
111.00767	11.4
121.02918	10.4
122.02397	2.2
123.00803	6.7
123.04423	9.8
125.02367	32.0
134.02394	4.1
134.05963	2.3
135.04453	4.3
137.02380	43.5
138.03162	6.9
139.00325	17.6
139.03937	6.7
140.01074	2.8
141.01888	7.3
145.02882	2.4
147.04427	4.5
148.03970	7.7
149.02383	14.8
151.00290	5.5
151.04021	11.3
152.01114	2.7
153.01901	16.7
155.03458	2.8
159.04506	2.8
160.03987	6.5
161.02393	15.7
162.01892	9.1
162.03117	3.5
162.05540	4.2
163.03966	6.3
164.01105	6.3
164.03476	16.1
165.01862	14.6
166.02699	4.7
167.03461	11.6
172.03973	7.8
174.03159	2.5
175.03941	7.2
176.03502	21.9
177.01872	7.9
177.04193	2.7
177.05621	3.4
178.01421	6.5
178.05064	4.8
179.03517	14.6
181.01376	5.4
181.04984	4.0
183.02956	4.4
185.06102	2.7
187.03944	2.3
188.03488	8.7
189.05586	5.3
190.05168	4.4
191.03481	6.8
192.02927	4.1
195.02905	4.3
200.03467	7.4
203.03561	4.4
204.02988	7.6
206.04497	8.2
213.05626	4.6
215.03453	2.3
218.04607	4.8
227.07162	2.4
229.94997	3.0
231.06645	9.5
237.05473	2.5
241.05106	3.1
243.02881	2.4
245.08221	2.8
255.06812	3.0
258.07916	3.8
259.06165	3.0
269.05042	2.9
273.07816	4.9
281.04556	2.8
282.07730	4.5
286.04706	3.5
289.07437	4.1
298.07291	3.4
299.05591	8.1
300.09021	4.1
304.05988	7.6
308.05740	6.3
317.06628	8.4
326.06860	20.4
344.07800	100.0
345.07904	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	343.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22311	0.8
58.74643	0.7
59.01258	2.4
63.96133	3.8
70.80022	1.2
70.80376	0.7
71.01275	2.2
74.46745	0.7
78.98489	11.8
79.24163	0.8
85.02858	4.9
87.00776	1.1
89.02317	0.8
93.03362	3.5
96.90121	0.7
100.63734	0.7
101.02381	0.9
107.01291	20.0
109.02900	1.0
111.04456	1.7
123.27657	0.8
125.02367	43.8
126.02653	1.3
127.03898	1.5
133.36884	0.8
137.57210	0.7
142.03401	0.8
155.03423	1.3
169.01373	100.0
170.01743	3.7
173.04488	2.7
191.05580	74.4
192.05959	2.4
297.17053	0.9
323.00259	0.8
343.06848	34.8
344.07095	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	343.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49305	0.3
59.01267	100.0
60.01608	1.1
70.59233	1.2
70.59578	0.4
71.01274	3.4
72.99211	0.4
81.80627	0.3
85.02850	0.6
89.02345	5.3
90.36066	0.3
101.02379	1.3
113.02354	1.6
119.03442	1.7
123.00826	0.4
125.02374	0.6
143.03468	0.4
169.01421	1.2
171.00917	0.4
176.01175	0.5
179.05661	1.4
213.94029	0.3
214.99992	0.4
229.01614	0.5
242.99396	0.7
257.00864	0.5
270.98853	2.6
271.99625	0.6
297.97668	0.8
298.98367	2.0
299.01587	0.4
299.99142	3.4
300.99942	5.6
302.00162	0.6
303.00232	0.8
313.00037	1.0
315.00372	0.5
316.01154	1.2
326.97940	2.0
328.02521	1.0
343.00882	0.6
343.04794	0.5
344.00586	3.5
357.54617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0679
Annotation	Theogallin
Peak:m/z	Relative Intensity
57.03353	0.5
59.01261	3.4
59.32092	0.4
60.99197	0.4
63.96127	2.7
67.01774	1.7
69.03347	1.5
69.91962	2.6
69.92352	0.8
71.01270	2.5
78.98479	7.5
81.03363	0.9
83.04922	0.9
83.21543	0.4
85.02840	9.2
86.73484	0.4
87.00787	1.5
91.95341	0.4
93.03357	14.0
93.03916	0.8
97.02878	0.5
98.19912	0.5
99.04408	0.5
101.02380	0.6
101.46578	0.4
107.01299	17.6
109.02886	1.1
111.00815	1.0
111.04434	4.0
113.02367	0.9
124.01570	0.5
125.02368	67.9
126.02714	1.9
127.03944	2.9
137.02394	2.5
150.79431	0.4
155.03465	2.3
163.00700	0.5
169.01381	100.0
170.01718	2.9
171.02895	0.5
173.04514	18.6
181.01651	0.8
191.05583	57.5
192.05994	2.2
238.34410	0.5
286.47934	0.5
343.06821	15.9
344.07162	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0678
Annotation	Theogallin
Peak:m/z	Relative Intensity
57.03334	0.4
59.01272	0.9
60.18747	0.2
65.03857	0.2
66.42818	0.2
67.01788	1.5
69.03348	1.1
71.01280	1.2
71.35170	0.3
72.40921	0.2
73.02857	0.2
81.03345	0.5
83.04924	0.5
85.02847	3.3
87.00793	0.7
87.57220	0.2
93.03361	8.6
94.03693	0.3
95.01297	0.3
97.02866	0.6
99.04417	0.6
101.58440	0.2
107.01300	5.6
109.02859	0.5
111.00800	0.7
111.04434	2.3
113.02384	0.4
123.00829	0.4
124.01601	0.5
125.02370	32.7
126.02709	1.4
127.03937	0.8
134.06868	0.2
137.02394	1.9
143.03415	0.2
155.03433	2.2
168.00630	0.6
169.01385	100.0
170.01727	4.5
173.04518	22.5
174.04924	1.1
191.05595	14.3
192.05942	0.7
196.75644	0.2
221.82372	0.2
261.21408	0.2
320.72397	0.2
325.05728	0.5
328.02420	0.3
343.06781	39.0
344.07101	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	343.0466
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
72.42394	0.3
73.61617	0.3
129.33548	0.3
130.00502	0.7
143.43143	0.3
145.29001	0.3
145.99982	0.6
173.99579	0.5
185.99570	0.5
197.99487	2.2
198.27539	0.4
213.99089	1.1
226.99823	0.4
229.01358	0.7
241.98643	1.9
254.99379	3.2
257.00940	3.7
269.01169	0.4
269.98108	46.9
270.98465	3.6
271.02573	0.4
282.98816	0.6
283.99643	0.9
285.00476	20.4
286.00809	1.7
297.00296	1.0
297.97607	82.5
298.97983	7.8
299.01852	1.0
311.99005	0.5
312.99960	100.0
314.00336	9.8
327.01486	0.7
328.02301	88.5
329.02652	10.1
329.05673	0.3
343.04645	68.7
344.05011	7.7
344.08994	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0468
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
59.01273	0.4
71.00235	0.5
99.15207	0.2
125.02418	0.3
130.00519	0.5
141.18071	0.2
145.99971	0.3
158.00098	0.3
169.01419	0.4
173.99571	0.4
185.02380	0.3
185.99557	0.3
189.99004	0.4
197.99591	1.5
203.50359	0.2
213.01971	0.3
213.99141	0.8
226.99789	0.3
229.01442	0.7
241.98573	1.5
254.99425	2.1
257.01001	2.9
258.01288	0.3
269.01062	0.6
269.98120	36.5
270.98462	2.7
271.02658	0.3
282.99008	0.6
283.99585	0.5
285.00482	17.3
286.00784	1.9
297.00363	0.7
297.97614	67.6
298.97955	5.6
299.01950	1.2
311.99112	0.5
312.99973	100.0
314.00333	8.4
327.01495	0.7
328.02313	93.5
329.02676	8.5
343.04660	68.0
344.00787	0.5
344.04987	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	343.0103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	2.8
59.18247	0.2
69.72627	1.3
71.01265	1.2
85.02824	0.3
87.78385	0.2
89.02334	1.6
95.01289	0.3
97.19479	0.2
101.02345	0.9
113.02361	0.5
113.47178	0.2
115.05470	0.5
119.03377	0.4
130.48276	0.2
131.03430	0.2
143.04979	1.2
152.03456	0.2
155.04938	0.5
161.06053	0.7
166.05090	0.5
169.01408	0.2
171.04468	2.6
179.05550	0.4
181.02882	0.5
182.04567	1.7
183.04449	0.7
184.01523	0.6
186.39594	0.2
187.03966	0.9
197.02377	0.5
198.03209	0.6
199.03966	4.3
200.04274	0.5
212.01173	0.9
214.35701	0.2
215.03514	1.6
221.51952	0.2
225.01979	2.1
226.02638	1.4
227.03523	6.0
228.03807	0.3
243.03011	3.3
244.03366	0.3
253.01433	0.3
254.01889	0.3
255.03000	1.1
271.02509	0.8
277.60425	0.2
282.01773	1.1
283.99704	3.3
285.00134	0.5
297.00562	0.3
298.01285	2.0
299.02032	100.0
299.99344	0.5
300.02362	9.1
343.01016	8.2
344.01352	1.1
344.09958	2.2
345.92487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0467
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
51.98125	0.3
59.01247	0.5
59.71240	0.3
64.25185	0.3
66.07910	0.2
70.77130	0.7
70.77501	0.3
72.32349	0.3
76.33865	0.4
96.16614	0.3
106.89257	0.3
118.27570	0.2
130.00502	0.6
142.44740	0.3
145.99983	0.4
157.99973	0.3
185.02324	0.3
185.99590	0.6
197.99542	1.1
200.55972	0.3
210.58893	0.3
213.99059	1.0
226.99887	0.3
229.01421	0.4
241.98573	1.7
254.99455	2.1
257.00949	2.4
269.00992	0.5
269.98117	34.8
270.98492	2.6
282.98929	0.8
283.99655	0.9
285.00488	16.1
286.00797	1.2
297.00241	0.5
297.97607	69.9
298.97961	5.0
299.01880	0.9
312.99963	100.0
314.00336	8.4
327.01474	1.3
328.02307	95.9
329.02661	7.9
343.04654	69.1
344.05029	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	341.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.8
58.00472	0.9
59.01266	13.5
59.98389	0.3
63.57391	0.4
66.75675	0.4
67.01773	0.5
69.03342	1.7
70.19096	1.8
71.00894	0.7
71.01270	11.1
71.04913	1.0
72.61540	0.3
72.99197	0.5
73.02847	0.4
82.64047	0.4
83.01267	0.5
83.04922	1.1
84.02058	5.9
84.49396	0.4
85.02837	1.8
86.03234	0.4
87.00762	0.9
89.02339	10.3
95.01308	0.7
95.04922	0.5
97.02863	2.0
97.06489	8.9
98.06802	0.5
98.19891	0.6
99.04406	1.5
101.02345	4.7
109.30332	0.4
111.08087	0.6
113.02367	4.1
119.03423	3.9
119.04932	0.6
119.08563	0.6
121.10171	0.4
125.02386	0.4
125.09624	1.4
127.11210	0.5
131.03444	0.6
132.00815	0.4
135.08101	0.7
137.09676	1.0
143.03410	1.4
144.78912	0.4
149.09624	0.4
161.04514	1.5
165.12836	0.8
169.99300	0.4
171.10223	18.8
172.10553	1.1
175.11266	0.7
177.12840	0.7
179.05582	5.2
183.14064	0.4
185.11874	0.6
193.12314	13.5
194.12624	0.6
197.02823	0.5
197.15373	0.4
197.92378	0.5
203.10825	0.4
209.11874	0.5
211.13335	2.4
221.11803	0.9
225.14964	17.4
226.15280	1.5
238.12039	0.4
243.16014	8.8
244.16296	0.5
253.14439	1.0
281.12585	0.8
291.19711	1.3
297.27966	0.6
341.10980	6.4
341.23389	100.0
341.26849	4.3
342.11310	0.9
342.23724	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	341.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43638	0.6
55.01781	0.9
55.36492	0.6
57.00171	0.6
57.03331	2.1
58.00486	3.7
59.01265	100.0
60.01594	0.7
61.92912	0.6
69.68021	4.4
71.01273	66.9
72.01611	1.3
72.99195	2.9
73.02836	2.0
83.01302	2.0
85.02846	10.7
85.73897	0.7
87.00774	5.0
89.02340	66.7
90.02702	1.4
91.19669	0.6
95.01302	3.7
98.19833	0.8
99.00786	0.7
101.02349	27.1
102.02673	0.6
107.03435	1.0
113.02357	22.1
114.02731	0.8
119.02573	1.4
119.03421	25.1
120.03813	0.7
125.02348	1.2
131.02527	0.7
131.03436	3.7
143.03452	6.2
149.04506	6.2
161.02435	1.7
161.04503	7.4
163.62234	0.5
166.99825	0.9
168.00664	1.0
179.05574	28.4
180.05978	1.2
234.96852	0.6
245.93954	0.7
341.10992	39.7
342.11383	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	341.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.9
57.03336	1.6
58.00485	5.1
59.01265	100.0
60.01605	0.8
68.84313	0.5
69.81556	0.5
71.01272	85.3
71.25703	0.9
71.26044	0.8
72.01612	1.4
72.99199	5.7
73.02838	2.6
75.00771	1.6
78.35948	0.5
83.01263	2.8
85.02844	10.4
87.00776	5.7
89.02338	99.2
90.02682	1.8
95.01292	5.3
96.96879	0.8
99.00785	0.9
101.02346	41.8
102.02676	0.5
107.03472	0.6
113.01540	0.9
113.01723	0.6
113.02357	31.2
119.03419	36.0
120.03770	0.9
123.00811	1.9
125.02362	1.8
131.03429	5.1
135.04501	0.6
139.00279	0.6
143.03448	7.8
149.04503	12.1
161.02362	1.5
161.04500	11.1
166.99879	0.7
179.05574	36.6
180.05951	1.3
191.05667	1.0
234.85199	0.4
255.37654	0.5
281.12338	0.5
285.05872	0.6
341.10977	54.4
342.11328	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	341.0888
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.31319	0.9
59.01274	13.3
63.80252	1.0
71.01277	8.8
71.58041	2.1
89.02341	8.4
95.01308	0.9
101.02350	3.2
111.81113	0.9
113.02388	3.0
119.03416	2.9
122.39977	1.1
125.02378	2.7
133.01868	1.2
133.02878	24.9
134.03235	1.1
135.04462	7.5
149.05989	1.2
161.02402	100.0
162.02740	3.9
166.99852	1.3
177.01912	1.9
177.05537	1.3
178.02303	1.5
179.03528	17.0
179.05569	3.7
187.07848	1.0
189.56592	1.0
203.03505	3.0
221.04761	2.0
281.06744	1.4
287.62167	1.0
292.13022	1.0
305.06775	2.4
312.26758	1.0
334.38046	1.0
341.08582	16.0
346.75690	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54234	0.6
55.01764	1.3
57.03318	1.3
58.00482	3.6
59.01263	100.0
60.01609	0.9
67.41425	0.5
69.66425	1.1
69.66841	2.1
71.01267	70.6
72.01613	0.7
72.99200	3.5
73.02837	1.9
83.01278	2.3
85.02840	10.6
86.90757	0.4
87.00772	4.8
89.02335	83.3
90.02676	1.5
95.01288	3.9
96.71589	0.4
97.02811	0.6
98.20559	0.5
99.00805	0.6
101.02346	33.5
102.02688	1.1
110.76568	0.5
113.02356	25.4
114.02663	0.7
119.03415	28.2
120.03806	0.8
125.02347	1.2
131.03410	5.4
133.02898	0.8
143.03433	7.3
148.27510	0.6
149.04507	4.4
154.11755	0.5
161.02411	1.0
161.04497	8.4
168.00589	0.8
179.05568	33.5
180.05927	1.6
185.72852	0.5
255.99236	0.5
279.43665	0.6
281.12634	0.6
305.06741	0.5
341.10974	45.5
342.11316	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0886
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.47305	0.5
58.00478	0.6
59.01266	8.8
71.01271	6.7
72.99191	0.7
73.02807	0.5
80.94863	0.5
83.01280	0.6
85.02836	1.8
87.00806	0.9
87.13921	0.5
89.02345	4.6
93.03387	1.3
93.03960	0.5
95.01240	1.2
98.19852	1.3
98.20551	1.4
101.02341	2.5
107.04948	1.9
109.02864	1.0
113.02371	2.3
117.03378	3.3
119.03419	1.7
119.04942	0.6
121.02903	0.7
123.00820	0.6
123.04435	1.9
125.02375	1.1
132.02094	2.5
133.02890	28.2
134.03290	1.6
135.04448	13.0
137.02348	0.7
139.00220	0.6
147.04431	0.9
149.06006	1.1
151.00262	0.8
161.02397	100.0
162.02760	5.8
163.00357	0.6
163.03938	0.7
169.01393	1.7
171.86157	0.6
175.03943	0.8
177.05551	1.9
179.03465	21.7
180.03760	0.8
188.03311	0.5
193.01427	0.5
200.86229	0.5
203.03487	3.5
221.04665	2.3
251.05634	1.4
253.51346	0.5
281.06818	1.0
281.12503	0.5
311.04053	0.6
341.08771	13.3
342.09164	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	5.9
60.42362	0.6
62.63760	0.5
68.99711	1.5
69.03358	1.1
71.01283	2.8
71.13474	0.7
71.13853	1.6
73.02439	0.6
73.02847	1.4
83.01298	0.6
83.04949	0.9
85.02848	6.5
87.00784	1.9
89.02334	1.0
89.51802	0.6
93.03355	6.9
95.01300	0.9
96.96865	1.1
99.00799	2.6
101.02364	1.5
109.02894	0.8
111.00786	1.3
111.04455	2.1
113.02351	4.6
113.99498	10.4
115.00307	3.9
119.04945	54.8
120.05278	2.0
120.99609	1.2
127.00335	1.8
129.01900	1.7
133.06543	1.3
135.04453	1.0
137.02408	1.4
151.03973	1.3
155.03455	2.6
155.64941	0.7
157.01393	2.6
159.04503	1.1
161.06024	1.5
163.03961	100.0
164.04286	4.0
164.12206	0.6
169.01396	1.1
173.04520	8.3
173.67995	0.7
174.01648	8.1
175.02385	2.1
175.09645	0.9
177.05560	1.3
187.04062	0.7
190.02759	0.9
191.05586	13.5
193.01399	2.9
205.05066	3.2
211.07556	0.8
223.00891	0.6
231.02866	0.7
235.85919	0.7
249.04074	3.7
251.30453	0.7
277.05734	10.5
293.02902	0.9
315.79126	0.6
337.02295	3.5
337.07822	63.3
337.14865	1.8
338.08121	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	339.2336
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
71.05793	0.9
74.15353	0.4
85.03009	0.3
90.89352	0.3
92.39063	0.3
94.97069	0.4
147.53450	0.3
163.11243	100.0
164.11566	5.5
175.37439	0.3
183.01303	0.3
203.75757	0.4
241.25427	0.4
269.24069	0.3
339.23358	79.4
340.19733	0.8
340.23721	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	340.0468
Annotation	7-Methoxyaristolochic acid II
Peak:m/z	Relative Intensity
59.01257	2.6
63.02288	5.0
65.00204	5.6
65.99729	0.9
69.59740	1.7
69.60143	5.0
71.01267	1.9
83.01288	5.9
89.02352	1.3
95.01228	0.8
98.20564	1.6
101.02470	0.9
107.01295	10.4
108.02109	1.8
123.00767	1.3
124.01597	0.9
125.02352	5.1
133.02879	3.7
135.00784	2.1
148.01579	4.5
149.02148	0.9
149.99495	0.8
151.00308	21.8
152.00723	1.3
158.02379	1.4
160.03958	4.9
161.02405	8.0
163.00304	3.1
164.01100	3.4
169.01360	2.5
175.03987	1.3
177.01895	1.0
178.99820	8.5
180.00119	0.9
186.01894	4.7
187.00336	1.4
187.02657	1.0
189.01894	1.7
193.01169	1.0
195.04497	0.8
199.04048	1.7
208.03979	0.9
211.02602	1.5
212.03430	5.0
213.99440	1.8
214.01433	27.1
215.01730	1.8
216.04311	1.0
226.02794	1.1
226.04855	0.9
227.03488	3.6
229.01224	0.9
229.04935	1.0
231.01807	1.1
234.05508	0.9
236.03641	1.6
238.01628	1.0
241.05119	2.2
243.03043	5.8
250.05164	0.9
254.04695	2.9
255.03017	10.4
256.03488	1.2
267.03058	3.4
269.04495	1.2
271.02533	19.8
272.02863	2.3
283.02515	2.4
285.04068	11.0
294.04053	1.7
295.02444	4.5
299.02036	1.6
299.99191	6.6
300.02777	100.0
300.99918	1.3
301.03146	7.2
313.03610	10.9
322.03625	16.9
323.03857	2.9
327.40097	0.8
340.04636	39.0
341.02710	1.3
341.05023	2.4
341.11343	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0938
Annotation	p-Coumaroyl quinic acid
Peak:m/z	Relative Intensity
57.03344	0.7
59.01268	1.0
60.99195	0.5
62.56617	0.3
67.01772	1.8
69.03353	0.5
69.35787	1.8
69.36211	1.4
71.01266	3.2
81.03364	0.3
83.04897	0.3
85.02853	0.7
87.00772	0.6
88.43060	0.4
93.03358	15.1
94.03719	0.4
97.30644	0.3
109.02837	0.6
111.00782	0.7
111.04442	3.7
119.04948	16.9
120.05238	0.7
127.03953	0.5
135.53098	0.3
137.02370	4.8
155.03447	5.0
163.03967	17.1
173.04515	100.0
174.04881	2.9
191.05585	17.8
192.05981	0.7
323.73984	0.4
337.09335	2.8
359.42697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.4
61.44852	0.4
65.32978	0.3
70.04897	0.6
70.05298	1.3
85.02843	1.0
93.03365	1.7
111.04430	0.7
119.04944	22.7
120.05274	0.6
137.02431	0.5
155.03452	2.4
163.03958	100.0
164.04298	5.2
173.04518	12.5
191.05588	30.1
192.05940	1.3
207.31952	0.4
230.87381	0.4
316.45166	0.4
337.05383	0.7
337.09366	12.7
338.09595	1.3
341.37775	0.3
342.96631	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0937
Annotation	p-Coumaroyl quinic acid
Peak:m/z	Relative Intensity
59.01264	1.8
60.99138	0.2
67.01768	0.7
69.03332	0.3
69.54105	1.4
71.01276	1.1
73.02827	0.3
81.03354	0.4
83.04910	0.5
85.02840	8.2
87.00762	2.1
93.02766	0.3
93.03360	5.4
99.04409	0.4
99.59146	0.2
109.02846	0.6
111.04420	1.4
113.02407	0.3
117.03380	0.2
119.04956	1.9
121.16280	0.2
127.03925	1.8
129.01851	0.2
137.02362	0.3
143.03479	0.3
145.02873	0.9
155.03337	0.2
163.03964	2.0
171.02977	0.4
173.03108	0.2
173.04507	3.2
191.05582	100.0
192.05928	3.9
337.09387	3.0
337.15170	0.5
338.09702	0.3
351.51993	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0938
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
58.76728	0.2
59.01263	0.4
68.54584	0.2
69.30396	0.9
69.30813	2.0
81.03378	0.3
83.04932	0.5
85.02840	0.7
91.83064	0.3
93.03349	2.6
111.04434	1.9
119.04945	38.2
120.05289	1.8
127.03920	0.5
128.85953	0.2
137.02365	0.5
145.64763	0.3
155.03452	1.9
163.03957	100.0
164.04286	5.1
173.04501	8.7
185.00705	0.3
191.05588	13.0
192.05928	0.3
242.29468	0.3
261.89285	0.4
337.09387	5.4
347.47031	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15266	0.3
55.85479	0.4
57.03324	0.6
59.01264	0.8
60.99193	0.4
65.47491	0.3
67.01793	2.0
69.03343	0.4
70.63935	1.1
71.01269	2.1
77.82748	0.3
81.03379	0.6
84.78378	0.3
93.03365	14.0
98.20135	0.7
109.02895	0.8
111.00748	0.4
111.04433	4.7
119.04955	10.8
137.02399	4.2
139.59860	0.3
155.03468	4.2
163.03966	20.1
164.04306	1.0
173.04521	100.0
174.04869	3.7
191.05577	0.7
200.86838	0.4
256.55649	0.3
337.09378	4.1
338.09720	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00586	0.4
55.01760	0.5
57.03328	0.6
59.01266	3.9
59.51416	0.4
63.77734	0.4
67.48558	0.4
67.75294	0.4
68.99711	3.0
69.03343	0.7
70.36445	1.7
71.01279	3.8
72.99190	0.7
73.02831	1.4
75.00750	1.1
83.01273	1.6
85.02837	6.4
87.00768	2.1
93.03345	0.5
95.01305	0.9
97.02821	0.5
99.00776	6.4
101.02338	1.7
107.04948	0.5
111.00771	1.8
112.98736	0.4
113.02354	6.7
113.99503	18.1
115.00304	7.0
119.04950	4.6
121.06535	0.5
127.00305	3.3
129.01874	2.9
133.06516	1.3
135.04437	1.2
137.02368	0.5
139.00291	0.7
141.01933	0.6
145.02859	0.5
149.02373	0.9
149.05943	0.6
151.03914	1.3
157.01361	4.7
159.04465	1.2
160.05228	0.4
161.02339	0.4
161.06073	2.6
162.03165	0.8
163.03955	11.1
169.01350	1.2
174.01665	17.8
174.15152	0.4
175.02332	1.4
177.05490	1.4
187.03952	1.1
190.02707	0.9
191.05634	1.0
193.01385	3.7
205.05049	4.8
249.04105	4.3
250.04570	0.7
277.05740	19.5
278.06198	0.7
293.03146	0.8
300.30469	0.4
337.02213	3.5
337.07837	100.0
338.08218	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	335.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81084	0.4
59.01263	0.9
69.03370	0.5
71.01289	0.7
73.02831	1.0
81.03368	0.6
82.44527	0.5
83.04917	1.7
88.05495	0.4
93.03367	12.0
94.03693	0.4
99.00765	0.8
99.04405	0.6
107.04880	0.9
111.04437	4.2
113.03660	0.5
117.03388	0.9
125.02504	0.6
133.02878	7.3
134.03682	4.3
135.04453	100.0
136.04784	4.9
137.02380	6.2
155.03436	1.7
161.02402	22.4
162.02753	1.2
170.99617	0.5
173.04512	1.7
179.03471	83.4
180.03844	4.7
234.85295	0.5
328.79929	0.5
335.07816	29.9
336.08194	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.7
59.01273	3.3
67.01768	0.5
68.99702	1.2
69.03350	0.9
69.58144	2.8
69.58558	0.7
71.01276	3.7
73.02840	1.4
75.00768	0.9
83.01297	1.5
85.02838	5.2
86.42091	0.4
87.00761	1.8
89.02339	0.6
90.34844	0.5
93.03353	1.6
95.01265	0.9
97.02853	0.5
99.00784	4.6
101.02348	1.9
105.03394	1.0
105.06973	0.5
107.04906	0.9
109.02887	0.7
111.00767	1.7
113.02362	5.4
113.98743	0.9
113.99504	13.7
115.00304	5.3
115.05413	0.5
117.03361	0.6
119.04977	2.4
120.99585	3.7
121.02862	1.1
121.06496	1.3
121.62887	0.4
123.04386	0.9
125.02372	0.9
127.00314	2.6
129.01842	2.3
133.06531	4.2
135.04443	2.8
137.02364	1.2
139.00299	0.8
143.04970	0.5
145.02870	2.0
146.03658	0.6
147.04506	0.8
149.02388	1.7
149.06030	1.3
151.03944	3.5
157.01370	3.0
159.04486	3.5
160.05188	0.7
161.02353	0.8
161.06023	6.4
162.03163	1.5
163.03951	13.1
164.01199	0.6
164.04297	0.7
165.01909	1.3
169.01349	1.4
173.04550	2.5
174.01653	14.6
175.02391	3.3
175.03922	1.2
177.01874	0.9
177.05515	2.9
187.03972	4.0
188.04329	0.6
190.02617	2.5
191.03432	1.0
191.05455	0.5
193.01402	11.2
194.01799	0.8
203.03380	2.4
204.04128	0.6
205.05054	17.0
206.05405	0.8
221.04666	0.6
228.61980	0.5
231.02911	1.6
233.00890	0.9
237.00351	1.0
247.02379	0.5
249.01591	0.9
249.04086	16.6
250.04382	1.5
275.02063	1.3
277.05698	15.6
278.05896	0.7
293.03238	2.9
337.02109	16.0
337.07837	100.0
338.02628	2.2
338.08246	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	333.0601
Annotation	sn-Glycero-3-phospho-1-inositol
Peak:m/z	Relative Intensity
53.57852	0.6
71.01291	0.7
71.58095	0.8
72.12168	0.5
75.00786	0.7
78.95798	63.6
96.95922	8.4
96.96862	12.7
101.30309	0.6
152.99533	56.3
171.00595	7.8
191.05595	1.5
223.00006	0.6
241.01222	29.0
242.01643	0.7
259.02341	1.8
273.04727	1.7
278.87326	0.7
282.90732	0.5
333.06012	100.0
334.06335	5.1
346.62344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0257
Annotation	3,5,6,7,2',3',4'-Heptahydroxyflavone
Peak:m/z	Relative Intensity
59.01268	4.2
63.02278	10.9
65.00206	17.3
65.31776	3.6
65.32125	3.6
69.03333	6.6
69.47952	16.8
69.48376	11.5
71.01273	5.6
81.03369	5.7
81.33344	3.3
83.01270	18.4
89.02299	3.3
92.12460	3.4
95.01283	9.5
97.02853	7.4
99.00768	20.2
107.01306	29.6
109.02853	60.2
110.00013	3.8
110.03200	4.2
111.00811	26.2
119.04959	4.2
121.02851	5.6
123.00813	29.9
124.01602	8.2
125.02373	47.5
127.00322	4.1
133.02888	46.6
135.00801	13.1
136.98738	11.4
137.02394	11.2
139.00299	47.2
141.01881	49.3
142.02124	4.1
143.04990	4.1
145.02888	5.5
147.00743	3.7
147.04451	4.5
149.02332	6.8
149.99477	3.6
151.00301	92.0
152.01105	20.0
153.01898	49.9
154.99800	3.3
161.02400	15.5
163.00322	29.7
164.01042	6.8
165.01820	7.8
166.99864	30.5
168.00612	20.2
169.01375	42.6
171.04451	5.6
174.03198	4.9
175.00334	5.8
175.03941	15.2
176.98242	4.8
177.01897	14.9
178.99814	100.0
189.01918	10.4
190.99826	30.0
191.03601	4.2
193.01416	10.6
194.99313	27.9
197.00883	16.2
199.03981	6.6
201.02023	4.0
202.02617	3.7
203.03455	6.9
204.97763	8.7
205.01408	14.2
206.99338	61.2
207.99945	11.5
209.00868	19.0
214.99878	10.3
215.03455	13.4
217.05057	12.4
222.98853	65.3
223.99615	19.0
227.03427	9.6
229.01443	8.2
230.99356	7.0
233.00882	10.3
233.04510	15.5
242.99298	4.5
243.02983	17.4
245.04530	10.3
247.02493	14.9
259.02695	5.3
261.00403	14.8
261.04050	6.3
271.02533	26.7
272.03238	4.7
286.98386	20.4
287.01978	19.4
289.00098	4.5
289.03537	11.3
297.00397	4.7
299.01871	7.5
300.02841	8.3
305.03091	9.9
307.39893	4.1
314.97864	45.5
315.01529	42.7
315.98422	5.3
316.01935	5.1
332.99146	4.6
333.02545	77.1
333.06241	7.0
334.02924	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	332.9894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31779	1.4
57.01690	1.5
59.01255	4.8
71.01270	3.3
71.39513	2.6
79.21628	1.5
94.31938	1.5
96.95879	1.6
105.03342	6.4
109.02850	1.9
115.01802	1.5
117.03376	5.5
117.49724	1.6
120.39977	1.7
121.02879	3.9
123.04438	3.0
125.02319	2.4
125.45818	1.4
131.01321	5.9
133.02884	18.9
137.02376	2.4
143.01289	2.1
145.02924	7.3
147.00783	5.7
148.01591	1.9
149.02362	6.1
151.00320	3.6
159.00821	13.1
160.01546	2.6
161.02402	32.3
162.02727	2.1
163.00389	2.1
163.03911	2.8
164.01097	1.8
164.78734	1.8
165.01883	1.8
169.01328	2.4
171.00844	5.9
173.02368	3.6
175.00282	5.1
176.01083	1.9
177.01894	15.1
178.99834	3.4
182.47598	1.6
187.00322	21.9
188.00899	2.0
189.01903	23.1
192.00592	3.6
201.01974	2.3
202.99826	6.1
204.00551	1.6
205.01445	13.2
207.02940	2.9
214.99852	42.7
216.00345	3.1
217.01433	23.7
230.99387	15.4
231.99825	2.2
233.00974	19.2
242.99400	18.3
245.00912	16.1
246.98894	2.9
247.99596	8.8
249.00224	2.5
258.98898	3.7
259.99527	3.0
261.00443	92.7
262.00845	6.2
270.98889	26.5
271.01938	2.8
271.99463	3.2
275.99176	12.4
276.99936	5.8
286.98401	88.6
287.98883	8.2
288.99979	35.3
290.00525	2.6
299.99179	6.8
314.97903	100.0
315.98169	9.8
332.98969	52.1
333.02103	1.6
333.09851	3.3
333.99420	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	332.9896
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23434	1.3
59.01273	2.0
65.00220	2.5
69.84515	7.7
70.05573	1.2
75.02295	1.7
79.07344	1.2
89.03892	2.7
91.01774	1.4
93.03360	1.3
94.79688	1.1
95.04977	1.9
98.20506	2.6
103.01798	2.1
105.03383	8.6
106.06546	1.2
115.01817	2.6
115.97018	1.2
116.51635	1.3
117.03381	9.3
119.01305	2.4
121.02875	4.6
121.51958	1.2
123.04456	3.6
131.01350	7.4
133.02888	24.5
134.03183	1.2
138.05563	1.7
143.01355	8.0
145.02921	10.2
147.00836	7.4
148.01617	3.1
149.02376	7.9
151.15164	1.3
159.00804	15.4
160.01570	2.2
161.02397	38.0
162.02753	1.7
163.00301	1.7
163.03966	4.0
164.01076	1.7
171.00821	7.7
172.01570	2.0
173.02371	6.9
175.00287	4.9
176.01141	4.0
177.01913	20.7
186.98648	1.8
187.00345	36.5
188.00905	2.4
189.01921	33.1
190.02332	2.3
190.99854	1.6
192.00656	7.1
193.01437	2.4
199.00389	2.8
201.01888	2.7
202.99881	8.3
204.00572	2.2
204.04240	3.7
205.01434	16.8
206.01941	1.3
214.97760	2.7
214.99860	56.3
216.00397	7.0
217.01442	30.7
218.01878	1.8
218.99382	2.7
219.06497	2.8
220.00136	2.8
230.99385	16.4
232.00044	2.5
233.00954	26.9
242.99384	22.4
243.99887	3.8
245.01001	20.0
246.01273	2.6
246.98840	4.0
247.99614	13.9
249.00281	3.5
258.98859	3.0
259.99622	3.0
261.00467	94.9
262.00909	5.9
270.98917	33.4
271.99637	4.0
275.99197	19.5
276.99915	10.8
286.98431	100.0
287.98804	8.8
288.99966	35.0
289.03238	1.5
289.11996	4.0
290.00385	2.4
299.99203	7.2
304.99487	4.1
314.97922	71.3
315.98395	9.3
332.98978	59.7
333.99365	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	331.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99685	0.3
58.00479	1.1
59.01265	18.6
67.01759	0.8
69.03341	0.8
70.11680	0.8
70.12069	0.9
71.01271	11.8
71.39159	0.3
72.01620	0.3
72.99217	1.4
79.01786	1.2
83.01280	1.1
85.02839	2.9
87.00790	0.9
89.02338	8.6
91.63921	0.3
95.01278	2.6
97.02877	1.1
97.76063	0.3
98.20463	0.4
101.02336	6.5
107.01303	3.9
107.01984	0.6
108.02081	0.5
111.00814	1.0
113.02372	4.4
119.03410	3.1
123.00802	21.0
124.01646	0.5
125.02369	26.1
126.02734	0.6
133.05006	0.4
136.98766	0.4
137.02452	0.5
139.00291	4.7
140.01120	1.7
141.01871	3.3
150.05524	0.7
151.00310	18.7
151.05904	0.9
152.00710	0.4
153.01888	1.7
161.04485	0.6
165.01923	0.6
167.03481	1.2
168.00592	3.7
169.01381	59.5
170.01747	2.4
181.01376	0.5
183.02979	0.9
193.01350	1.6
197.29546	0.4
211.02478	15.1
212.02800	1.0
241.03601	1.4
271.04633	10.7
272.05170	0.6
313.11368	0.9
331.06775	100.0
332.07089	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	331.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47298	0.5
59.01256	1.5
69.91645	3.4
71.01271	1.5
80.53593	0.6
80.96396	0.5
85.02831	1.7
93.30801	0.5
95.04822	0.5
98.19901	1.2
101.02354	1.3
105.74114	0.5
109.99999	6.3
113.02336	2.9
123.00836	0.6
124.01591	1.0
125.02356	5.9
137.02374	0.9
137.99516	8.7
139.00293	2.6
152.01106	2.7
153.01877	100.0
154.02275	4.0
155.03415	2.9
161.04495	1.2
166.02608	0.6
167.03465	9.2
168.04228	44.8
169.01434	3.0
169.05005	7.9
179.03529	0.9
181.05264	0.5
191.03476	1.1
211.02475	0.7
211.06155	0.6
251.16562	0.6
271.04688	0.7
299.07916	0.6
331.06976	0.9
331.10434	3.5
331.14276	0.5
331.15509	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.068
Annotation	6-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
58.35031	0.4
59.01273	0.5
61.85331	0.3
68.00975	0.3
69.03339	1.8
71.29491	0.5
72.91961	0.3
79.01739	0.4
81.03355	0.7
85.02822	0.4
86.63529	0.4
93.30641	0.3
97.02841	0.7
105.02421	0.4
106.48379	0.4
123.68356	0.3
124.01619	0.8
125.02372	60.4
126.02717	1.4
152.28889	0.4
153.01854	4.2
168.00650	1.6
168.04221	1.9
169.01390	100.0
170.01715	4.0
271.04547	0.7
284.34387	0.4
331.06839	4.4
331.15656	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0679
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03339	1.1
58.31108	0.6
58.68013	0.7
59.01267	12.6
62.95372	0.6
67.01762	0.9
69.03323	1.8
70.55019	1.4
70.55412	1.5
71.01283	5.1
81.03350	1.0
83.01276	2.1
85.02861	1.3
89.02342	3.9
95.01301	1.8
97.02850	1.7
101.02362	3.2
107.01287	3.4
113.02378	2.2
119.03378	1.2
123.00794	9.1
124.01579	6.4
125.02369	54.3
126.02704	2.0
133.04979	0.7
139.00278	2.1
141.01900	1.8
149.99522	11.3
151.00310	19.7
167.03452	1.2
167.99147	1.4
168.00595	36.1
169.01379	51.6
170.01700	1.1
175.00307	1.3
185.32585	0.6
193.01390	1.7
211.02463	8.7
220.01990	0.6
256.56036	0.7
271.04660	5.8
312.53946	0.6
313.05685	4.2
313.63638	0.7
331.06778	100.0
332.07101	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	331.0103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71186	0.9
59.01258	1.6
65.00174	0.8
69.61953	4.5
74.88127	0.8
74.94393	0.9
81.29992	0.6
109.02861	0.8
115.05388	1.0
121.02881	1.1
123.04417	0.8
125.02356	3.0
125.59412	0.7
131.04921	3.2
137.02379	0.9
138.33749	0.7
143.04948	1.4
147.04427	2.1
158.03734	1.0
159.04434	7.3
161.02388	0.9
165.01851	0.8
169.01396	1.5
171.04431	1.6
171.83429	0.7
175.03989	5.0
176.03386	1.1
177.01915	1.5
185.02408	1.2
187.03993	5.7
193.05099	0.9
197.02344	0.8
202.02675	0.9
203.03482	24.1
204.03827	1.6
211.02419	0.8
213.01874	3.0
214.02625	1.3
215.03490	4.1
216.00633	1.8
217.01451	0.7
230.02112	1.1
231.03012	19.9
232.03290	1.0
241.01553	2.4
242.02061	1.0
243.02972	2.0
244.00214	0.9
258.01691	2.9
259.02521	31.9
260.02869	1.7
271.04822	1.2
287.02032	100.0
288.02332	7.1
289.07199	2.5
303.01553	1.2
314.06726	1.0
331.01019	22.6
332.01266	1.7
332.07779	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	329.234
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03326	1.4
59.00994	0.6
59.01270	9.4
65.83916	0.3
69.03334	0.4
71.01255	0.5
71.08533	0.5
71.08875	0.6
72.69929	0.4
83.04900	0.5
84.02054	0.5
85.02821	0.4
91.54829	0.4
91.88183	0.3
97.06508	0.5
99.08060	5.7
123.00745	0.4
125.09657	1.4
127.11196	3.2
129.09128	0.6
139.11221	6.9
155.10760	0.5
155.14433	0.8
157.12282	0.9
165.12808	0.7
167.14362	0.9
171.10231	15.9
172.10550	0.7
172.97163	0.4
183.13907	5.1
193.12302	2.0
209.11877	1.2
211.13400	26.4
212.13660	1.9
229.14478	13.7
230.14822	0.9
270.98892	1.4
285.18542	0.5
293.21356	0.7
298.98422	1.2
311.22272	0.9
314.00696	1.5
329.03152	1.7
329.23404	100.0
330.23709	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	330.084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47912	0.1
59.01258	0.5
65.99734	0.3
67.89224	0.1
70.15936	0.5
93.03368	0.1
96.95936	0.2
109.02842	0.7
121.02848	0.1
123.00832	0.1
123.04489	0.1
124.01584	0.3
125.02326	0.5
137.02379	2.9
138.03166	6.3
139.03522	0.2
167.01054	0.1
167.02196	3.0
168.02977	100.0
168.17415	0.1
169.01418	0.4
169.03333	3.6
211.02534	0.2
225.86589	0.1
255.05095	0.2
271.04663	0.2
299.98944	0.2
330.08371	21.8
330.97357	0.2
331.08768	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	331.0103
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02281	5.8
65.00221	12.7
67.83823	2.1
69.32944	17.4
69.33366	6.0
83.01263	5.9
95.01299	16.4
98.10894	2.2
99.00742	2.9
107.01304	17.5
109.02864	3.9
109.86582	2.4
110.00011	8.4
111.00792	4.8
119.04916	2.9
123.00800	59.8
125.02356	4.5
131.04938	4.8
136.98743	3.6
137.02400	17.8
139.00290	10.8
143.02180	2.4
143.05000	3.5
147.02962	3.8
147.04446	5.0
149.02391	3.9
149.99518	3.0
150.99129	4.9
151.00325	89.4
152.00923	4.2
155.03477	2.9
158.03787	3.2
159.04472	7.8
161.02364	2.9
163.00323	5.6
164.98203	5.6
165.01913	16.0
165.99048	6.2
169.01379	5.9
175.03970	7.2
177.01888	5.8
178.99821	100.0
180.00430	4.6
183.10246	3.5
185.02347	4.3
187.03958	8.5
189.01926	4.9
190.99889	6.0
191.03465	6.0
199.96582	2.8
201.01834	2.9
203.03502	17.8
205.01425	6.3
213.01930	5.1
215.03456	9.1
217.01448	4.0
219.02986	11.6
229.01431	6.4
230.02390	3.1
231.03014	12.6
241.01529	3.1
243.03064	2.9
247.02528	8.0
252.46304	3.1
257.00943	6.4
259.02512	23.8
275.02039	8.5
285.00507	5.6
287.02011	13.9
303.01514	38.2
304.01877	2.7
312.99985	4.5
316.80380	3.0
330.97052	5.6
331.01010	88.9
332.01648	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	329.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01606	0.7
60.44155	0.3
62.36672	0.3
63.96125	0.4
69.60590	0.9
69.61005	1.8
71.01266	4.2
72.95631	0.4
72.99208	0.5
73.02835	1.0
75.00758	0.4
83.01286	0.7
85.02852	1.9
87.00790	0.5
89.02341	1.0
96.41791	0.3
99.00792	0.6
101.02343	3.1
113.02391	1.8
117.97230	0.3
119.03426	0.3
125.02364	0.7
135.98282	1.9
159.01630	0.3
159.02945	0.6
161.04494	3.3
167.03461	0.8
168.03059	0.5
182.02122	0.4
269.10367	5.8
270.10718	0.6
270.99100	0.4
274.94461	0.3
330.08582	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0886
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03329	0.6
57.56426	0.2
59.01260	2.4
65.00197	0.6
71.01270	0.6
71.08243	0.5
71.08619	0.5
80.82777	0.2
81.03349	4.2
83.01276	2.6
93.03350	0.3
95.01291	0.4
95.04931	0.6
107.01321	0.6
122.77918	0.3
122.89930	0.2
123.04441	26.7
124.04762	0.9
125.02367	6.6
133.02844	0.3
139.03835	0.3
149.02376	1.0
151.00311	1.4
163.03873	0.6
166.02679	0.4
167.03452	100.0
168.03796	3.6
169.01344	1.1
182.15514	0.3
191.03484	0.5
209.04559	1.4
242.04683	0.4
290.00793	0.3
329.05377	0.5
329.08862	1.0
337.47977	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1151
Annotation	Miraxanthin-III
Peak:m/z	Relative Intensity
51.43990	0.5
57.11990	0.5
59.01270	5.1
59.12704	0.6
67.00496	0.5
69.28263	1.2
69.28673	5.6
71.01276	0.5
76.96712	0.6
78.80999	0.6
82.02883	7.0
95.01321	0.6
101.13348	0.6
102.48432	0.6
106.06521	6.8
107.01309	1.1
108.04432	0.9
110.02385	1.7
122.06022	2.0
125.02344	3.2
132.04477	23.5
133.05202	1.8
134.06044	32.4
135.04430	0.8
135.06387	1.4
136.03952	2.6
148.03973	1.8
149.04741	1.4
150.05518	0.8
151.00304	0.8
160.03993	14.5
161.04774	29.9
162.05551	70.5
163.00354	0.6
163.05939	4.0
169.01360	3.3
173.04794	0.6
176.03516	3.5
177.02037	0.6
177.03922	1.6
188.03581	1.1
188.11124	0.5
193.03781	42.2
194.04218	2.9
206.04639	0.7
212.07162	4.1
213.08060	2.8
214.08728	5.1
215.11830	0.7
225.06628	0.9
226.08722	2.6
230.14816	0.6
240.10374	1.3
241.06207	7.3
242.06686	0.9
242.11897	4.5
243.11469	3.1
255.07858	0.7
256.08490	1.0
257.09381	7.9
258.09857	0.7
268.09799	2.2
269.09409	5.5
270.09851	0.9
270.98904	1.4
285.12506	68.9
286.12839	4.9
298.98474	1.9
311.10406	9.9
312.10751	1.1
314.00717	0.8
329.11484	100.0
330.11862	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	329.0312
Annotation	(3E)-Obtusenyne
Peak:m/z	Relative Intensity
52.58597	0.2
53.62151	0.2
55.72622	0.2
55.78412	0.2
59.01265	2.4
69.39697	2.2
69.53681	0.2
125.02375	0.3
131.01408	0.2
144.57886	0.3
147.00793	0.3
167.10745	0.5
169.01414	0.4
171.00813	0.4
175.00278	0.2
187.00365	0.7
199.00319	0.5
214.99863	1.9
226.99901	0.5
242.99384	9.7
243.99760	0.6
258.01724	0.7
269.76529	0.3
270.98907	95.2
271.99255	6.3
283.99673	0.8
285.00510	2.6
286.01154	1.4
298.98398	100.0
299.98758	7.0
310.98337	0.2
312.99945	3.5
314.00763	94.8
315.01083	6.5
329.03110	67.6
330.03470	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0886
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03342	0.5
59.01265	4.9
65.00211	0.5
70.70844	0.8
71.01270	1.0
75.00772	0.3
78.61964	0.3
81.03358	4.3
83.01273	2.7
85.02848	0.5
93.03380	0.7
95.01289	0.6
95.04920	1.3
97.02860	0.6
101.02332	0.3
107.01328	0.4
109.02870	0.6
121.02903	0.5
123.00837	0.9
123.04443	38.0
124.04749	1.3
125.02377	5.1
131.01309	0.4
135.04480	0.8
137.02393	1.3
139.03954	0.7
147.04410	0.3
149.02374	1.3
151.00281	1.5
151.03944	1.1
163.03943	1.3
165.01883	0.4
166.02684	0.8
167.03455	100.0
168.03777	3.5
169.01385	1.5
175.00340	0.9
177.04053	0.6
179.03445	1.2
180.04199	0.3
181.05038	3.0
191.03481	25.5
192.03845	1.2
193.05121	0.4
209.04543	9.7
210.04924	0.5
221.04559	2.8
269.06760	0.4
285.97644	0.5
329.05435	0.4
329.08853	6.3
329.12961	0.4
330.08987	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0311
Annotation	(3E)-Obtusenyne
Peak:m/z	Relative Intensity
54.42360	0.3
55.57027	0.2
59.01263	1.3
66.59187	0.2
95.99649	0.2
128.69180	0.2
131.01286	0.3
169.69289	0.2
171.00821	0.7
187.00394	0.8
199.00368	1.0
200.01057	0.3
214.99866	1.6
226.99825	0.7
242.96872	0.5
242.99370	10.7
243.47849	0.3
243.99681	0.6
246.36150	0.2
258.01755	0.6
270.98892	96.7
271.99225	6.7
283.99564	1.0
285.00488	2.1
286.01245	1.0
298.98383	91.3
299.98715	6.4
312.99960	3.4
314.00748	100.0
315.01074	8.1
329.03088	80.0
330.03448	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	329.0312
Annotation	3,3'-di-O-Methylellagic acid
Peak:m/z	Relative Intensity
50.71522	0.5
50.90979	0.5
59.01266	12.6
67.01791	0.6
71.01266	0.9
71.61896	0.8
76.41330	0.5
95.01289	0.6
97.02839	0.6
101.02309	0.6
125.02346	0.5
126.96672	0.5
163.03969	0.8
171.10234	0.5
181.05107	2.6
192.10303	0.5
200.01135	1.1
202.02695	1.5
202.06416	0.5
213.01836	0.6
214.39905	0.5
217.44620	0.5
229.01379	0.8
241.01396	0.8
242.02112	0.8
242.99391	3.9
257.00983	0.6
258.01697	3.8
262.24686	0.6
269.10309	0.6
270.98889	42.8
271.99353	3.0
283.99722	5.2
285.00461	16.8
285.03546	1.2
286.01263	6.8
287.38428	0.6
297.00320	1.3
298.98407	51.7
299.98715	3.3
310.98355	1.3
312.99954	32.7
314.00739	48.1
315.01013	3.8
329.03091	100.0
329.13953	2.4
329.23318	3.9
330.03409	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	328.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26304	0.4
57.03334	2.4
59.01261	3.0
65.99738	1.3
69.03339	1.0
71.46857	1.0
81.03365	1.5
83.01266	3.6
83.04903	1.0
86.40699	0.5
93.03374	2.6
95.01286	1.5
95.04938	1.2
97.02857	4.1
98.23316	0.5
103.09198	0.6
105.03353	0.7
107.04939	1.9
108.02086	1.1
109.02866	27.5
110.03175	0.6
111.04443	1.5
118.02924	0.6
120.23297	0.5
121.02871	6.5
122.02393	2.6
122.03706	2.8
123.00767	0.7
123.04446	10.5
124.04742	0.8
125.02370	17.6
126.02692	1.0
132.04483	2.7
133.02881	1.3
134.06046	0.6
135.04449	6.8
136.03923	0.8
137.02380	28.9
138.02765	1.6
139.00299	0.6
139.03940	9.3
140.04253	0.7
145.02879	2.5
146.03595	0.8
147.04480	2.7
148.03993	8.2
148.65950	0.6
149.02385	12.8
150.03185	4.9
151.02812	1.1
151.03944	14.0
154.02586	1.1
158.03712	1.0
159.04494	1.7
160.03963	5.4
161.02399	7.7
161.06049	1.8
162.01884	0.8
162.03123	2.8
162.05486	2.7
163.00308	1.4
163.03961	5.5
164.01122	4.6
164.03403	3.0
165.01880	13.8
166.02312	1.3
166.05042	2.0
167.03458	3.7
169.06569	0.5
172.04002	9.4
173.04620	0.8
173.06055	2.5
174.03165	1.1
175.03984	3.4
176.01102	1.6
176.03452	5.3
177.01912	5.0
177.05534	0.7
178.02710	3.6
178.05092	1.1
179.03473	11.8
179.04930	1.0
180.03889	0.7
182.62286	0.6
182.93143	0.6
184.03986	2.0
187.04008	1.5
187.07690	1.1
187.22795	0.5
189.05562	1.0
190.05067	3.8
191.03459	5.5
192.04112	1.0
197.06036	1.9
200.04962	0.8
201.05594	2.0
202.06441	0.8
203.03415	2.0
203.07062	1.5
204.02924	0.7
204.07462	0.9
205.01381	1.4
205.05038	2.4
206.04826	1.0
213.05551	4.8
214.06415	1.1
215.07132	36.0
215.56789	0.6
216.07420	2.1
217.05064	2.2
218.04646	1.7
226.05125	0.7
229.08701	0.6
233.08179	7.0
234.08513	0.7
239.07109	2.0
241.05077	0.9
242.06087	0.6
242.08266	3.0
243.06622	2.2
244.06197	1.6
246.08586	1.3
255.06570	1.1
257.08228	15.6
258.08453	1.1
259.06195	8.3
260.06622	1.2
260.09329	1.2
261.07626	0.8
271.06238	1.1
283.06100	2.1
284.09427	6.2
285.07233	0.6
286.07230	2.9
287.05444	0.7
288.06479	4.0
289.07083	0.7
290.07639	8.1
301.07230	36.0
302.07645	3.5
310.07294	6.8
311.07718	0.9
328.08337	100.0
328.99435	0.7
329.08902	9.6
352.80466	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2185
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.01776	0.6
57.03329	1.6
57.61976	0.4
59.01262	0.9
62.25063	0.4
66.70814	0.4
69.03337	1.7
69.36628	1.1
69.37040	3.0
71.01257	0.7
73.32391	0.4
83.04942	0.7
85.02847	8.3
95.04922	1.4
97.02863	0.7
97.06502	4.5
110.03656	0.7
111.04487	0.4
119.08594	0.6
121.35275	0.4
123.08098	0.6
125.09645	1.6
126.39238	0.5
127.11214	2.1
134.22774	0.5
137.09631	2.1
143.08951	0.5
155.10770	0.6
155.14377	0.8
165.12804	1.1
167.14456	0.8
171.10233	18.5
172.10545	0.6
177.12785	0.7
181.12408	0.6
183.13901	4.1
185.11890	0.9
193.12331	1.8
199.13318	0.6
201.11304	0.6
205.57346	0.5
209.11856	2.2
211.13396	23.2
212.13696	1.5
221.11891	3.8
226.40170	0.5
229.14473	12.7
230.14767	0.6
239.12994	2.4
250.99298	0.5
291.19751	2.8
309.20828	1.3
321.03430	0.4
327.21848	100.0
328.22183	10.9
340.32639	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.023
Annotation	NAc-DNP-Cys
Peak:m/z	Relative Intensity
59.01271	0.4
65.00215	0.6
67.98974	0.1
69.74233	0.1
85.02876	0.1
86.01557	0.4
89.00272	0.4
90.74544	0.1
93.50900	0.1
98.09684	0.1
106.00526	0.2
118.00526	0.6
130.00519	2.8
130.01437	0.2
134.00046	0.4
136.98769	0.3
139.78481	0.1
142.00481	0.7
146.00040	2.8
149.42213	0.2
155.01270	0.3
158.00037	1.7
160.98732	0.2
161.99544	1.0
170.00084	0.5
171.00832	0.2
173.99542	2.0
183.00816	0.4
185.02448	0.5
185.99538	4.0
187.00070	0.2
189.99062	0.7
197.99568	7.3
198.99997	0.5
200.01274	0.2
201.01880	0.6
201.99170	0.2
213.01886	0.5
213.99043	3.1
214.99281	0.1
216.00696	0.2
217.98563	0.2
225.99126	0.5
226.99873	0.8
228.00688	0.4
229.01430	1.1
237.32184	0.1
241.98602	5.5
242.99059	0.3
244.00079	0.1
254.99361	2.5
256.00064	0.5
257.00964	3.4
258.01340	0.2
269.00897	0.5
269.98108	60.1
270.98544	5.7
271.01813	0.2
271.02432	0.1
282.99057	0.7
283.99652	0.8
285.00470	20.7
286.00827	1.6
297.00500	0.4
297.97598	75.9
298.98068	6.7
299.01920	0.6
311.99179	0.4
312.99951	100.0
314.00369	9.6
327.01440	1.0
328.02295	87.8
329.02789	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	327.1094
Annotation	Androsin
Peak:m/z	Relative Intensity
58.00496	1.2
59.01266	35.5
63.29005	0.8
66.27663	0.9
70.76995	2.2
70.77363	1.5
71.00891	1.6
71.01276	21.9
72.99198	4.3
73.02847	1.5
80.21047	0.9
83.01299	1.2
85.02843	4.3
87.00780	1.8
88.22031	1.0
89.02337	18.5
95.01293	2.3
101.02346	14.1
110.74400	0.9
113.02377	7.2
119.03437	8.5
119.04945	3.4
125.02431	1.3
128.74899	0.9
143.03433	1.3
145.02829	1.8
147.04466	100.0
148.04837	3.1
161.02374	1.0
161.04568	1.1
161.05891	1.0
162.81902	0.9
165.01877	0.9
165.05508	14.6
169.01326	1.7
179.05629	1.2
182.13603	0.9
194.33917	1.1
267.10858	1.1
283.75082	1.1
327.10934	67.9
328.11365	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	327.2183
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.69771	1.3
57.03331	3.0
59.01265	10.9
61.98686	1.6
67.38078	1.5
68.80107	1.6
70.14358	1.3
71.01273	4.1
71.04905	1.5
71.60341	1.9
73.02834	6.1
75.52679	1.4
83.04932	1.7
85.02852	1.7
89.02354	2.5
97.06473	2.3
99.08060	4.0
101.02341	2.7
127.07584	5.7
127.11250	2.5
129.09134	27.2
132.08025	1.3
141.09158	12.3
141.76978	1.4
153.12793	1.8
155.10730	17.2
165.02002	1.3
165.05496	1.3
165.12939	1.5
171.10214	13.1
183.01198	13.5
185.11806	48.8
197.11813	41.7
198.12132	1.8
209.11829	6.2
210.12531	1.3
211.13385	2.7
227.12880	2.0
251.40987	1.5
256.98926	1.4
267.10925	4.6
291.19717	14.4
309.20804	25.6
310.21194	4.0
312.99860	3.5
327.16385	21.9
327.21851	100.0
328.02664	1.6
328.16718	3.8
328.22266	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	327.094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	1.9
57.03340	1.6
58.00478	2.1
59.01267	67.6
69.56052	9.4
71.01273	49.6
72.99189	3.7
73.02840	57.6
73.15596	1.0
75.00767	5.1
83.01290	1.7
85.02838	8.7
87.00240	1.7
87.00777	35.4
89.02345	38.5
89.02905	2.0
94.33255	1.1
95.01286	1.9
99.00798	7.4
101.02353	23.2
103.03923	3.0
113.02358	11.7
115.00289	29.9
117.01858	1.5
119.03428	15.3
123.00805	2.2
125.02386	2.6
129.01845	1.8
135.02934	3.8
135.04491	2.3
147.02905	2.7
151.03891	1.2
151.07614	1.9
159.02925	1.5
161.04501	2.0
165.01936	3.0
165.05527	2.2
165.07675	2.2
168.00508	1.1
169.01332	2.3
175.02444	59.3
176.02844	2.6
177.01915	1.7
177.05557	3.1
179.05583	5.1
191.05655	1.8
195.06659	1.7
267.10590	2.3
283.04395	1.1
327.03784	14.0
327.09436	100.0
327.12830	5.5
328.09741	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	327.0365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54821	1.4
57.03341	2.3
59.01265	46.9
62.87852	1.2
68.48940	1.5
71.01269	38.2
71.58163	1.4
72.99199	5.4
73.02821	7.4
77.00552	3.1
85.02862	8.2
87.00766	37.7
89.02339	19.4
93.03357	3.7
95.01283	2.1
99.00769	5.0
101.02354	13.8
113.02355	9.1
115.00285	46.8
119.03406	7.4
119.94845	1.5
125.02428	2.9
131.03424	2.0
135.04416	2.5
139.00296	2.2
143.03436	1.4
147.02913	1.4
151.07628	1.8
159.02905	3.4
161.04501	5.4
164.51472	1.5
165.02023	1.7
165.05530	3.3
165.07672	10.3
166.99870	1.6
169.01436	4.5
175.02446	100.0
176.02719	2.3
177.05524	4.3
179.03394	1.7
179.05537	4.5
179.07253	1.5
195.06621	5.2
215.72362	1.6
223.86127	1.7
267.10992	15.2
327.03717	31.0
327.09274	7.2
327.12976	25.8
328.04031	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	327.0882
Annotation	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
50.74629	0.5
59.01260	0.8
71.01285	0.6
77.44529	0.4
93.03363	27.5
94.03668	1.1
95.01410	0.3
96.95902	0.5
96.99223	6.2
117.03371	2.6
119.04948	22.4
120.05268	0.6
121.02922	0.6
123.04413	2.4
130.04170	1.5
131.04965	6.4
133.02887	4.8
137.02332	0.5
143.04971	20.7
144.05321	0.8
145.02888	4.3
145.06541	1.0
147.04437	0.5
159.04408	0.9
163.03963	10.8
165.05637	0.4
166.99562	0.4
171.04471	2.7
172.04793	0.4
199.67966	0.5
205.29199	0.4
211.07651	6.8
219.08272	0.7
221.09694	1.6
221.88263	0.4
222.06990	0.7
223.07599	1.8
235.07669	4.5
236.08188	0.5
237.09219	6.4
239.10873	0.8
247.07562	0.6
264.07922	0.5
265.08765	19.9
266.09137	2.1
283.09830	1.4
309.07806	4.6
310.08209	0.8
327.08813	100.0
328.09210	9.5
328.72507	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58295	0.3
59.01272	1.6
63.62892	0.3
68.99679	0.7
69.69878	0.6
69.70289	1.3
71.01247	0.6
104.02531	1.1
108.02021	0.3
113.58672	0.3
128.02542	0.5
132.02110	3.2
144.02057	0.9
147.00777	0.5
148.01524	0.6
156.02113	10.5
157.02441	0.5
159.00798	0.5
160.00520	0.3
160.01602	2.5
161.04517	0.3
172.01587	2.3
176.01035	1.0
184.01634	7.4
185.01909	0.6
188.01085	1.0
200.01143	12.3
201.01363	0.6
204.00650	0.8
212.01160	4.4
213.01387	0.3
216.00722	1.4
226.99803	0.8
228.00642	6.2
229.00856	0.4
232.00095	0.4
240.00670	15.4
241.00980	1.0
242.99179	0.5
243.99973	0.4
254.99361	2.5
256.00125	3.2
258.98764	0.4
267.10953	0.5
269.98068	0.4
274.01108	0.5
282.98898	1.8
283.99707	10.6
285.00000	0.8
305.24033	0.3
310.98474	0.7
311.99188	100.0
312.96194	0.2
312.99512	9.3
327.01541	63.8
327.21793	1.1
327.25485	1.2
328.01877	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	325.2029
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
51.80435	1.2
57.03332	2.7
59.01266	28.8
65.51661	1.3
69.41285	3.3
69.41689	8.8
71.01267	7.9
71.04905	1.9
73.02854	2.3
77.59739	1.3
81.03325	1.3
83.04935	5.9
84.02061	3.3
85.02827	3.0
85.95808	1.1
95.04898	2.2
96.95900	1.3
97.06509	3.2
99.04417	1.3
99.08054	3.8
101.02356	2.4
109.06473	2.0
111.08030	2.6
115.07521	2.1
119.04943	1.7
121.02810	1.1
123.08092	1.4
125.09639	4.9
127.07568	15.6
135.08086	2.2
139.07561	3.6
141.65935	1.0
145.02881	4.0
153.09177	12.9
154.18654	1.3
155.10689	2.1
161.04469	1.8
163.11237	3.3
165.12827	2.2
171.10234	11.2
176.04547	1.2
178.09912	3.6
185.11823	18.5
191.10742	1.9
191.14388	1.6
193.07195	2.0
193.15935	1.5
197.11813	18.7
207.10265	2.0
209.11836	69.9
210.12128	3.7
225.96468	1.3
236.10712	1.4
238.12152	6.6
245.19142	3.4
256.13242	3.2
263.20139	1.5
281.21310	2.2
289.18210	9.0
307.19229	100.0
308.19608	8.5
325.14514	2.7
325.20258	56.5
326.20663	4.2
326.30252	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2179
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
50.13272	0.6
50.85672	0.7
59.01261	6.7
66.85036	0.6
69.87404	3.6
76.85139	0.8
80.59664	0.8
98.19904	1.5
101.02381	1.1
124.06381	0.7
149.09662	94.1
150.09987	4.2
163.11234	98.7
164.11572	5.8
183.01167	10.7
184.01859	0.9
197.02718	0.9
205.43144	0.7
265.12842	0.9
265.32513	0.7
325.18381	20.2
325.21790	100.0
326.18710	2.5
326.22144	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	323.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72443	0.6
57.03341	0.8
58.00476	2.4
59.01264	62.8
60.01581	0.8
70.92596	1.3
70.92970	1.2
71.01269	33.7
72.99179	2.8
73.02813	0.7
83.01260	1.7
83.78420	0.5
85.02843	5.4
87.00764	0.9
89.02338	35.9
95.01270	2.8
95.10883	0.7
99.08050	1.1
101.02347	23.8
108.46060	0.6
113.02358	12.8
114.02699	0.8
119.03415	18.7
121.02904	0.8
123.30190	0.6
125.02357	0.7
131.03461	1.4
143.03430	2.3
149.04489	0.9
161.02324	0.6
161.04485	1.5
161.08116	1.0
177.01677	0.7
179.05606	3.6
189.01945	0.6
258.16858	0.7
305.06421	0.8
323.13535	100.0
324.13876	7.3
332.98184	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0938
Annotation	CHEBI:76092
Peak:m/z	Relative Intensity
50.97971	0.3
52.88995	0.3
57.03325	0.3
59.00998	0.4
59.01272	6.5
69.89189	0.7
69.89606	1.0
71.01276	3.2
85.02859	1.0
89.02345	2.5
97.67279	0.3
98.20510	0.6
101.02349	1.0
113.02331	1.0
114.47282	0.4
117.03385	24.3
118.03715	1.1
119.03473	0.5
119.04945	6.0
133.06541	0.5
145.02901	100.0
146.03250	5.2
159.04602	0.6
160.83199	0.3
161.06050	1.4
163.03958	5.4
177.05467	0.4
187.03995	3.1
204.75755	0.3
205.05042	1.0
265.07193	1.1
325.09317	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	325.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76624	0.2
58.69594	0.2
59.01269	5.1
65.75134	0.2
71.01271	2.4
72.99205	0.4
84.06513	0.2
85.02839	0.3
89.02350	2.1
95.01305	0.3
101.02357	0.9
110.91820	0.2
113.02377	1.4
117.03379	16.9
118.03716	0.7
119.03463	0.5
119.04944	4.7
120.05366	0.3
125.02363	0.3
131.04912	0.3
133.06493	0.3
145.02890	100.0
146.03221	4.9
159.04439	0.5
161.06064	1.4
163.03961	8.0
187.03973	4.2
188.04431	0.3
205.05035	1.6
235.06125	0.3
265.07251	1.6
311.03952	0.3
325.09348	8.2
326.09625	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00477	2.9
59.01265	72.7
60.01582	1.1
71.01268	36.4
71.45985	1.5
72.99186	3.7
73.02842	1.0
83.01284	2.4
85.02840	8.8
87.00787	1.4
89.02341	37.1
95.01295	3.3
99.00732	1.0
101.01687	1.8
101.02342	27.6
102.02630	0.9
113.01618	1.5
113.02358	16.4
119.03408	18.1
119.04904	1.2
124.70872	0.8
125.02367	2.0
131.03368	1.3
143.03426	2.4
145.02831	1.0
145.32474	0.8
149.04472	1.1
161.02428	1.2
161.04463	2.4
161.08145	1.9
162.30664	0.8
167.93378	0.9
169.01363	1.7
179.05573	3.2
207.02985	0.9
217.01427	1.0
224.81061	1.0
246.68408	0.8
300.02838	0.9
307.49280	0.8
323.13538	100.0
324.13864	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	323.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38578	0.5
55.85296	0.5
59.01266	100.0
60.01612	0.7
67.58346	0.5
70.84222	0.5
71.01268	5.5
71.57801	0.6
73.02848	1.4
85.02869	1.6
87.00762	0.7
89.02351	1.0
92.71072	0.5
99.96094	0.6
101.02345	3.7
101.06000	1.9
102.53574	0.5
113.02386	2.1
116.21928	0.6
161.04507	4.7
202.09935	0.5
210.43834	0.5
263.11465	3.5
323.13785	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10859	0.5
54.47850	0.4
57.83345	0.4
59.01267	100.0
60.01594	1.0
62.28522	0.5
69.35287	4.8
71.01278	2.7
85.02852	0.7
87.08553	0.4
89.02338	3.6
98.20508	0.8
101.02369	1.3
105.47942	0.4
113.02354	0.8
119.03426	1.3
124.26315	0.4
134.15289	0.5
142.99571	0.4
169.01398	0.5
178.99893	1.1
179.05753	0.5
188.62578	0.4
231.03325	0.5
255.21809	0.5
303.01825	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2077
Annotation	Rapanone
Peak:m/z	Relative Intensity
51.14428	0.8
59.01267	100.0
60.01601	0.9
69.60635	1.8
69.61051	3.2
71.01298	1.3
103.03950	1.4
115.26144	0.7
141.01637	0.9
160.64658	0.7
160.98775	1.2
182.91182	0.6
277.18201	1.4
277.21634	1.1
321.20776	58.6
322.21100	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	322.2031
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
58.02864	1.9
59.01266	8.0
61.98705	0.4
65.83813	0.3
69.33496	3.1
71.01289	0.7
81.03357	0.6
85.20261	0.2
95.04951	0.5
96.34731	0.3
97.06482	0.7
104.94759	0.3
109.06517	0.6
111.09055	0.3
113.02351	0.4
128.10745	7.1
130.08672	100.0
131.09004	3.2
142.24477	0.3
154.49188	0.3
165.12808	1.1
183.01094	0.3
195.73492	0.3
209.11780	0.3
299.99188	0.6
322.20309	35.5
322.98141	0.5
323.09900	0.3
323.20670	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	321.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.7
58.00480	1.6
59.01265	44.4
71.01270	19.4
71.58466	1.0
72.99194	2.5
73.02831	1.2
83.01272	1.2
85.02837	4.4
87.00782	1.3
89.02334	15.7
95.01290	1.7
101.02346	12.4
113.02363	5.2
113.09634	24.5
114.10000	0.5
119.03416	5.5
127.11238	0.7
131.03398	0.5
135.04446	0.5
139.00348	0.7
141.09125	5.3
143.03464	0.6
143.10722	2.1
155.10719	2.0
159.10217	57.8
160.10519	2.3
169.01379	1.2
179.05524	0.6
201.11330	2.0
205.01578	0.6
313.65494	0.5
321.15616	100.0
322.15958	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	321.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01601	1.6
61.04849	0.4
71.01271	2.2
71.61926	0.4
72.19122	0.4
72.33459	0.4
73.02861	0.5
85.02857	0.7
89.02354	1.0
89.67023	0.4
101.02350	1.5
103.90775	0.5
113.02393	1.0
118.35964	0.4
119.03382	0.5
125.02362	1.0
141.03093	0.4
157.32896	0.5
160.04051	0.4
161.04559	0.9
169.01479	0.9
177.01784	0.5
187.88281	0.5
192.76167	0.5
204.27719	0.4
250.46432	0.5
261.13492	2.4
321.56204	0.6
327.80203	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	8.0
69.03343	2.1
69.74309	3.1
69.74716	7.6
71.01251	2.4
73.02782	1.2
76.25641	1.5
81.03369	2.1
83.01288	2.0
97.02871	3.8
98.47949	1.3
99.00809	2.8
99.04399	1.7
109.02858	6.3
111.00804	3.7
121.02794	1.8
123.00794	1.8
124.01598	2.6
125.02369	62.4
126.02692	2.7
137.02394	8.3
139.00316	6.0
139.03897	2.8
141.01854	3.6
149.02438	1.9
153.01846	7.2
165.01865	3.4
167.03488	6.0
167.06810	1.3
169.01384	100.0
170.01659	3.3
177.01924	10.7
178.02406	1.6
181.05031	1.7
191.03503	2.4
195.03044	2.3
221.04611	1.9
241.05037	1.5
259.06253	1.7
263.88602	1.6
275.05582	1.5
285.03998	1.4
303.05304	3.4
321.02576	2.8
321.06134	20.7
322.06543	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	321.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21822	16.0
59.01271	100.0
60.69710	15.6
70.93116	44.2
71.01263	29.2
83.01268	18.9
85.02837	31.6
95.01244	26.3
109.02856	77.1
110.92634	16.2
111.00770	47.2
113.02368	18.5
114.36425	16.7
121.02870	24.8
125.02362	91.0
137.02422	27.5
141.01852	32.1
149.02380	53.8
153.01889	41.4
154.99757	27.2
155.66946	16.9
167.03349	17.3
169.01321	20.3
175.03891	25.2
177.01808	21.9
184.35626	16.9
191.03354	21.7
217.05211	25.4
233.04659	19.5
263.30380	15.3
321.06204	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0623
Annotation	Leucodelphinidin
Peak:m/z	Relative Intensity
55.01769	3.4
57.03331	4.8
59.01249	5.1
65.00187	1.9
67.01774	4.4
67.87995	1.5
68.99701	6.5
69.03340	6.3
70.02449	1.6
71.01277	5.6
81.03348	12.3
83.01276	12.8
85.02842	27.4
93.03349	9.8
95.01293	10.8
95.04932	6.2
96.99206	2.2
97.02854	14.3
99.00771	11.7
99.04410	2.5
105.03395	3.5
108.02077	6.6
109.02867	78.5
109.99997	3.7
111.00791	53.4
111.01575	3.0
111.04394	1.9
112.01112	2.7
113.02354	5.8
119.04948	3.1
121.02869	17.3
121.82492	1.5
122.03647	5.2
123.00813	18.0
123.04442	22.0
124.01591	8.7
125.02369	85.3
126.02629	2.1
127.00273	5.6
127.03983	2.7
133.02878	5.7
135.04430	7.9
135.23792	1.6
137.02376	47.2
137.03439	2.7
138.03214	1.8
139.00302	32.1
139.03932	10.7
140.01030	2.8
141.01874	30.9
143.04944	2.0
145.02924	3.8
146.03645	3.5
147.04427	5.0
148.01695	1.7
149.02393	48.7
150.03195	10.2
151.00294	2.0
151.03957	11.7
152.01083	3.9
153.01883	100.0
154.02344	3.8
154.99812	21.2
155.05052	2.2
159.04411	4.3
160.97374	1.7
161.02391	15.5
161.06023	5.4
162.03145	3.7
163.00377	2.0
163.03937	7.0
163.07520	2.3
163.99843	1.9
164.01154	5.9
165.01874	13.3
166.02573	5.2
167.03467	15.2
171.04420	3.8
172.05191	2.6
173.02336	2.4
173.06053	4.3
174.03204	4.1
175.04007	16.6
177.01894	15.3
177.05569	4.4
179.03481	2.7
180.00562	2.4
181.01414	6.5
181.05084	8.6
182.02094	3.1
183.03012	8.4
185.05978	3.2
187.03954	5.0
187.07796	1.6
188.04675	3.4
189.01855	1.9
189.05548	8.4
191.03467	5.7
193.01434	3.1
195.02972	4.6
199.04016	4.6
200.04781	2.2
201.01985	2.8
203.03482	4.2
203.07382	1.9
205.05022	6.8
211.02446	2.2
213.05614	6.8
215.03458	4.5
215.07224	2.4
216.04285	5.4
217.05063	26.7
218.05417	2.2
221.04439	1.7
229.85344	2.3
231.02988	4.2
231.06650	6.2
233.04562	5.3
235.06181	3.4
241.05046	8.4
243.03192	2.0
257.04578	4.8
259.06134	9.8
275.05768	9.6
277.07288	3.7
285.04141	11.4
286.04596	2.3
303.05118	17.6
304.05569	4.6
321.06223	67.5
322.06558	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	319.1406
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
57.03325	1.1
57.57456	0.8
58.00472	1.1
59.01267	29.8
65.93817	0.9
71.01271	18.3
72.99200	1.5
73.02830	2.2
78.26710	0.9
83.01284	1.4
84.02042	1.0
85.02845	4.3
86.98296	0.8
89.02338	14.3
94.66087	0.8
95.01302	2.3
98.20642	2.1
98.22631	0.9
99.00813	1.0
101.02354	11.6
111.08073	16.4
113.02368	6.5
119.03426	5.5
125.02407	1.2
127.41273	0.9
128.94025	0.8
139.07542	4.1
143.03314	1.0
145.02924	2.3
145.56430	0.8
151.00336	1.1
153.09122	1.2
157.08650	59.7
158.08951	2.3
199.09811	1.7
205.98480	0.9
217.01291	0.8
229.97675	1.0
230.99493	1.0
246.98805	1.6
272.55673	0.8
275.01880	1.4
279.43320	1.0
319.00159	1.8
319.14044	100.0
320.14352	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	321.026
Annotation	Digallate
Peak:m/z	Relative Intensity
51.53226	0.8
52.42018	0.6
59.01274	4.1
62.80294	0.6
67.01788	0.8
69.03342	2.5
69.67673	1.4
69.68085	4.3
71.01274	1.3
71.65154	0.6
81.03358	0.9
87.00790	1.0
89.02353	0.9
93.30663	0.7
95.01276	1.6
95.26816	0.7
97.02873	2.1
101.02325	0.9
109.02860	2.2
111.00822	1.2
117.67847	0.6
123.00803	1.0
125.02372	73.5
126.02696	1.9
137.02371	2.5
139.00298	1.9
147.04440	0.6
149.02362	1.3
153.01920	2.2
154.99796	1.1
163.00269	0.6
165.01935	0.9
167.03543	0.7
169.01387	100.0
170.01764	2.8
175.04018	1.1
217.05151	0.6
241.37386	0.7
303.05084	1.1
321.02625	1.6
321.06256	1.8
333.93561	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0466
Annotation	Hovenitin III
Peak:m/z	Relative Intensity
51.06427	0.3
54.30268	0.3
55.66538	0.3
57.03339	9.4
59.01263	1.7
63.02289	1.4
65.00206	2.5
69.34153	2.8
71.01283	0.4
76.28352	0.3
76.54023	0.3
81.03349	1.1
83.01279	4.4
85.02867	0.4
86.34914	0.3
91.01836	0.3
93.03385	1.4
95.01288	1.2
96.95927	0.3
100.93091	0.3
107.01290	4.1
109.02870	4.9
111.00775	0.6
111.04411	0.4
113.02302	0.3
117.03342	0.6
119.01310	0.6
119.04910	0.7
121.02875	2.6
123.00800	2.3
124.01606	2.1
125.02369	54.3
125.25277	0.3
126.02713	1.3
131.04982	0.4
137.02374	8.3
138.03247	0.4
139.00258	0.3
139.02979	0.4
139.03961	4.3
143.04935	0.3
145.02873	2.5
147.00830	5.0
147.04483	0.5
149.02362	1.4
150.03062	0.4
151.00319	11.9
152.01108	2.1
153.01883	9.2
155.03386	1.5
159.04460	1.1
161.02374	0.4
162.03194	0.3
163.00294	0.7
163.03955	0.9
165.00497	0.6
165.01892	11.0
166.02719	1.8
167.03468	6.8
169.01443	2.0
173.02374	0.6
175.00330	22.4
176.00990	1.7
177.01863	0.5
177.05545	0.5
178.99829	13.1
181.01358	1.3
181.04976	0.6
185.02402	1.3
185.06073	0.3
187.03969	1.7
189.01933	0.4
189.05656	0.3
190.02684	1.1
191.03473	15.0
192.03796	0.8
193.01401	100.0
194.01718	4.0
201.05605	0.5
202.99854	0.4
205.05028	1.8
209.04549	0.6
211.04048	0.5
213.05591	1.1
215.03503	7.6
217.01390	0.4
229.05093	0.9
230.99318	0.4
233.04576	2.8
239.03474	1.0
246.98883	0.6
257.04620	7.7
267.85910	0.3
275.05701	0.5
283.02438	1.8
301.00046	0.4
301.03583	10.3
302.03958	0.9
319.00763	0.4
319.04599	1.3
319.08197	0.6
319.22833	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54857	0.7
55.01750	0.8
56.52049	0.7
59.01267	2.1
64.56772	0.7
69.73746	5.3
70.72545	0.7
71.01253	0.9
71.04906	6.9
80.21925	0.8
91.67107	0.8
93.03351	0.7
95.04922	17.5
97.02853	28.5
109.02860	14.8
115.03915	3.6
121.02764	0.9
137.02374	1.9
139.03940	69.8
140.04274	1.4
149.02367	0.8
153.01878	28.5
154.02159	0.9
157.08583	1.2
165.01875	8.8
183.02951	100.0
184.03354	3.8
319.04691	1.1
328.99286	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0467
Annotation	Hovenitin III
Peak:m/z	Relative Intensity
55.01784	4.0
59.01260	16.7
60.14880	3.9
71.01268	5.2
71.10051	9.5
81.03379	8.1
83.01289	5.1
85.02850	6.5
93.03377	5.9
95.01279	8.1
95.04942	6.2
97.02857	11.8
99.00794	21.3
109.02860	18.9
111.00802	16.8
117.35217	4.5
119.04981	9.2
121.02881	13.9
121.06503	5.7
123.00813	28.0
123.04501	5.5
125.02378	99.1
127.00289	14.5
133.02913	4.8
137.02379	40.1
138.03142	8.9
139.00302	14.4
139.03958	7.6
141.01872	79.7
145.02856	12.2
147.04413	5.8
149.02411	15.6
151.00340	21.2
151.03990	4.4
153.01877	76.0
154.02678	7.7
159.04474	7.1
160.17865	4.0
161.02420	9.8
163.03973	8.1
165.01912	31.8
166.02667	7.1
167.03505	21.5
171.04414	6.6
173.02437	4.9
175.03961	7.5
177.01906	100.0
177.05327	3.9
178.02454	4.1
179.03461	8.4
180.00636	7.1
181.01440	7.8
182.02228	9.3
187.04004	7.3
189.01945	10.2
190.02660	7.1
190.73172	3.9
191.03497	58.2
193.01392	35.7
203.03584	6.7
203.07201	5.0
205.05064	5.3
211.04024	6.7
213.05473	6.1
214.02751	6.3
215.03448	17.9
216.49998	4.3
217.01428	47.2
219.03036	12.3
227.03593	7.1
229.04985	9.3
231.02930	10.3
231.06624	5.1
233.04599	27.9
247.06195	9.9
251.05478	7.8
255.03087	6.2
257.04611	15.0
258.01712	23.1
273.04129	9.4
275.05734	29.8
301.03668	37.2
319.04599	67.3
319.22879	6.7
320.05109	8.4
328.82645	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	316.9946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.7
63.02282	3.3
64.99887	0.6
65.00208	5.8
71.00136	0.3
74.87075	0.3
78.50198	0.3
81.03348	0.6
83.01281	3.1
91.01791	0.5
91.33134	0.3
95.01286	0.4
101.36703	0.3
107.01305	9.3
109.02867	9.3
110.16053	0.3
117.03349	0.8
119.01284	0.7
123.00789	0.8
124.01588	2.4
125.02326	2.9
126.02660	0.3
127.74868	0.4
133.02846	1.1
135.00819	0.7
136.32124	0.3
137.02382	19.9
138.02788	0.6
143.04961	0.3
145.02899	2.1
149.02295	0.4
151.00316	26.1
152.00720	1.3
153.01573	0.4
155.03391	0.6
159.04347	0.6
161.02400	2.5
162.02811	0.4
163.00323	2.6
163.03923	0.4
164.01125	1.5
165.01897	2.9
169.01376	2.6
171.00793	0.6
171.04456	0.9
173.02443	1.9
175.03938	0.5
176.00984	0.3
177.01785	0.5
178.99834	15.4
180.00140	1.3
185.02411	0.5
187.00320	1.2
187.03940	0.9
188.04350	0.5
189.01932	2.6
190.99792	0.4
191.03491	0.7
192.00528	1.2
193.01328	1.1
199.03993	1.1
200.04282	0.4
201.01863	1.4
203.03404	1.1
204.03815	1.2
205.01424	0.8
205.04500	0.7
208.00076	0.3
211.04086	0.3
214.02614	1.3
214.99821	1.1
215.03047	3.8
216.03789	1.3
217.01495	2.1
218.01790	0.4
227.03571	1.8
228.00662	0.5
228.03793	0.7
229.01491	0.7
230.01642	0.5
230.22957	0.4
242.02002	1.3
242.99309	4.0
243.02722	4.4
244.03389	3.0
245.00990	7.4
245.03622	0.3
245.04517	0.5
246.01552	0.5
247.85803	0.4
255.03046	0.4
259.02390	1.2
260.02881	5.4
261.00409	0.5
261.03314	0.9
270.01767	0.4
270.98868	6.7
271.02319	7.5
272.02893	22.3
273.00510	11.0
273.03391	1.1
274.01053	0.7
287.01904	1.7
288.02399	14.0
288.99759	0.5
289.02640	4.8
289.58578	0.4
298.98453	9.3
299.01910	1.5
299.98993	1.8
300.02057	0.4
315.98633	0.7
316.02017	0.7
316.99374	21.6
317.02811	100.0
317.99677	1.3
318.03149	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	316.9946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.5
65.00199	0.6
69.47887	1.5
69.48314	3.6
80.05931	0.6
89.03851	0.9
105.03356	1.0
109.07738	0.5
117.03379	5.0
119.01331	0.9
129.03398	1.5
131.01285	1.3
133.02914	4.0
143.01321	0.7
145.02892	12.6
147.04501	0.9
149.02364	0.8
157.02872	0.8
159.00826	1.5
161.02380	9.7
163.03947	3.1
171.00833	2.0
173.02408	8.7
177.01958	1.3
187.00349	5.1
188.00995	1.0
189.01894	14.5
190.02231	1.1
199.00308	2.3
200.01123	1.7
201.01944	5.7
202.02267	0.7
202.99939	0.9
205.01363	1.0
214.99919	6.6
216.00638	1.4
217.01436	11.5
226.99812	1.3
228.00600	2.4
229.01474	1.9
233.00748	0.8
242.96866	1.2
242.99373	23.7
243.99922	2.3
245.00940	40.7
246.01300	2.3
261.00394	1.5
270.98907	48.0
271.99200	3.1
273.00470	52.6
274.00858	4.1
288.99496	1.1
298.98395	43.5
299.99030	9.0
315.98785	3.0
316.99438	100.0
317.99808	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08207	0.1
58.00467	0.2
59.01266	1.3
71.01256	0.8
97.06478	0.3
116.24395	0.2
117.03359	0.3
119.04972	0.2
123.04430	0.2
131.01340	0.2
145.02893	0.5
157.12282	0.5
159.00827	0.3
164.45970	0.2
172.97699	0.2
183.08148	0.2
185.09705	1.9
187.00453	0.3
197.09669	0.4
199.11296	2.5
200.11697	0.3
202.99951	0.4
213.09177	0.3
214.99855	0.3
217.00348	0.3
227.10855	0.4
230.99367	0.6
232.97438	0.2
232.99750	0.3
239.10825	0.2
241.15944	0.5
242.99539	0.2
254.85590	0.2
267.13931	0.5
279.89838	0.2
281.15579	0.4
283.17087	0.4
285.17596	0.4
286.98477	0.7
297.18637	1.7
299.16791	0.2
299.99246	1.0
313.18225	0.4
314.97910	1.6
315.01517	0.5
315.19720	100.0
315.98242	0.3
316.20065	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	315.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69833	0.4
55.04180	0.5
59.01059	0.6
59.01382	2.3
63.16414	0.5
71.56223	0.5
90.41930	0.5
93.03484	0.6
97.06662	0.5
104.50846	0.5
109.68557	0.5
117.03496	1.2
119.05080	0.9
123.04511	1.0
125.02455	0.5
145.03059	1.5
147.01093	0.4
157.06667	0.6
159.00922	1.0
161.02649	0.6
171.08096	0.5
174.06914	0.7
185.09830	0.8
187.00426	0.8
198.10556	0.7
211.11256	0.9
213.09195	0.4
213.12874	1.3
214.99937	1.1
217.00322	0.6
218.99403	0.5
223.11453	0.6
226.08835	0.5
229.16042	1.0
230.99422	1.9
239.14491	1.0
241.16020	2.8
257.15573	2.3
267.17627	6.3
268.17908	0.8
283.17096	5.8
285.18680	100.0
286.18991	10.2
286.98508	3.1
299.99219	4.2
300.99673	0.6
314.97855	6.7
315.01529	2.6
315.16095	3.4
315.19669	30.3
315.98193	0.7
316.01663	0.5
316.20120	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	315.0729
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01266	0.6
59.70813	0.3
61.21889	0.3
69.65316	0.3
71.01271	1.8
71.25706	0.6
71.26047	0.4
73.02831	0.6
73.69455	0.3
78.10320	0.4
81.03349	0.7
84.27596	0.3
85.02859	1.9
93.03362	0.5
95.01286	1.7
97.02853	0.5
101.02386	0.4
108.02080	100.0
109.02885	23.4
110.03200	0.4
113.02341	0.7
121.02856	1.2
123.00793	1.3
123.04443	1.3
124.63192	0.3
130.76610	0.4
133.02859	0.7
134.03668	0.3
135.00777	0.5
151.03976	0.6
152.01093	53.7
153.01884	16.8
153.05518	0.7
154.02211	0.4
161.02502	0.5
163.03975	1.0
163.94893	0.3
165.01920	1.2
181.04918	0.3
315.07285	45.5
315.15686	0.8
316.07703	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	315.1095
Annotation	Taxicatin
Peak:m/z	Relative Intensity
54.12444	0.5
63.10136	0.5
70.14569	2.4
71.01272	0.6
77.10513	0.5
96.95951	0.5
106.81956	0.5
122.03653	0.7
123.04442	77.2
124.04757	3.0
125.02352	0.8
151.72017	0.5
153.05519	100.0
154.05864	3.9
182.04553	0.5
185.28290	0.5
197.68529	0.5
315.10934	2.9
315.16101	1.5
316.03189	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0155
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
58.74541	0.1
59.01275	0.2
65.45586	0.1
68.28376	0.2
69.75232	1.0
73.11037	0.2
89.15437	0.1
108.02060	0.3
111.01575	0.2
119.04932	0.2
123.00800	0.2
125.02419	0.4
131.01300	0.2
132.02147	0.5
144.02148	0.4
147.00859	0.3
148.01604	0.4
148.43945	0.2
159.00919	0.2
160.01605	1.2
163.00360	0.2
163.04013	0.4
164.01117	0.3
169.01396	0.5
172.01595	1.3
176.01108	0.7
187.00290	0.3
188.01105	0.9
197.11909	0.2
199.00240	0.2
200.01118	2.5
214.99881	0.3
216.00655	3.9
226.99924	0.6
228.00656	0.3
230.99527	0.4
242.99384	2.2
244.00131	3.4
254.99400	0.2
259.02344	0.2
270.98959	1.4
271.99658	1.1
282.98886	0.7
286.98328	0.6
287.02032	0.9
298.98401	1.4
299.99176	100.0
300.99536	6.2
301.02936	0.3
315.01532	70.5
316.01926	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	315.0731
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
51.27281	0.2
57.03335	0.3
59.01267	0.6
69.03345	0.4
69.63561	0.7
69.63990	1.0
71.01276	2.3
73.02833	0.8
73.73680	0.3
79.91132	0.3
81.03355	0.6
83.01272	0.4
85.02860	1.5
87.00794	0.4
88.54440	0.2
89.02364	0.2
93.03362	0.6
94.37158	0.2
95.01289	1.1
98.19810	0.5
101.02339	0.8
108.02081	77.7
109.02879	29.0
110.03195	1.0
113.02342	1.3
121.02886	1.1
122.03723	0.3
123.00791	0.9
123.04443	0.7
125.02364	0.8
133.02914	0.5
134.03592	0.3
135.00824	0.8
135.04419	0.4
151.03943	1.3
152.01099	56.4
153.01888	31.9
154.02223	1.1
163.03941	1.3
165.01915	2.0
169.01419	0.4
195.02913	0.3
209.04434	0.4
225.03992	0.4
315.07288	100.0
316.07629	6.4
324.65121	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0154
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
51.95002	0.5
54.00035	0.6
55.56987	0.5
57.62258	0.5
59.77055	0.5
60.37506	0.5
60.64611	0.6
63.02288	3.4
65.00237	2.2
66.07691	0.5
69.44003	2.1
69.44428	2.4
83.01323	1.4
84.59045	0.5
88.05339	0.7
95.01328	0.5
107.01283	2.7
115.05476	1.3
117.03393	0.7
119.01331	0.6
119.05006	0.8
119.48796	0.6
123.00807	0.7
124.01571	3.8
124.67544	0.5
125.02390	3.8
129.03484	0.6
131.04988	1.7
133.25383	0.5
135.00859	2.2
141.03407	0.6
143.04984	4.4
145.02910	2.3
147.04507	1.1
149.02432	2.9
151.00316	6.6
152.01053	1.5
158.03677	0.6
159.00847	0.8
159.04448	5.0
161.02396	1.5
163.00285	2.9
163.03891	0.6
164.01111	2.7
169.02942	1.8
171.04443	3.1
173.02422	3.0
174.03316	0.6
175.04022	3.3
177.01930	1.0
178.99821	1.9
185.02428	1.3
187.00388	1.1
187.03998	7.9
189.01939	1.4
191.03481	2.1
197.02467	1.6
199.04036	2.9
201.01974	2.2
203.03488	10.5
204.03954	0.6
205.05206	0.5
213.01907	5.7
214.02716	8.3
215.00119	0.7
215.03543	8.7
216.03795	0.7
217.01437	1.6
219.02988	1.0
227.03528	1.4
229.01468	0.7
230.99385	1.1
231.03001	7.3
232.03703	0.8
241.01447	5.4
242.02261	8.6
243.03044	11.2
244.03366	0.8
258.01813	0.8
259.02527	22.6
260.02795	0.9
270.01843	5.1
271.02545	39.1
272.02795	0.8
287.02045	94.7
288.02423	6.7
297.00403	1.0
314.98282	4.8
315.01532	100.0
316.02252	72.4
316.06177	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70047	0.3
54.69067	0.3
59.01263	0.7
71.08189	0.7
73.14152	0.3
85.06477	20.9
86.06821	0.5
86.29469	0.3
90.94357	0.3
170.07303	0.4
183.08104	1.3
185.09691	8.4
186.09981	0.6
196.08838	0.3
197.09692	7.2
198.10237	0.7
210.97394	0.3
211.07762	0.3
211.11299	1.3
213.12822	11.3
214.13152	0.6
222.13680	0.3
227.10777	0.4
239.10786	0.8
245.11812	1.8
265.16010	0.7
283.17087	100.0
284.17426	9.3
313.18152	90.8
314.18494	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	313.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01280	0.8
70.78031	0.5
70.78394	0.2
71.01297	1.0
75.27531	0.2
85.06525	0.2
89.02335	0.5
101.02342	0.2
113.06008	0.5
126.90426	0.2
130.28767	0.1
140.44225	0.2
197.09709	0.7
198.10468	0.4
199.11243	1.1
200.11630	0.2
213.09198	0.2
213.12897	0.4
225.12895	0.3
239.14403	0.4
241.16046	0.8
253.09343	0.4
265.12210	0.2
280.14825	0.9
281.15451	0.3
283.13776	0.2
283.17136	0.8
285.75473	0.2
295.17380	0.2
297.15030	3.6
298.15787	2.6
299.16388	0.3
313.18173	100.0
314.18524	9.8
318.22061	0.2
330.14709	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0726
Annotation	Sylpin
Peak:m/z	Relative Intensity
59.01277	0.3
60.28179	0.2
61.37220	0.1
63.33828	0.1
70.75889	0.5
71.01285	0.2
72.19984	0.1
76.61663	0.2
77.03853	0.2
77.05769	0.1
89.02337	0.2
93.03365	0.2
94.00874	0.1
102.75370	0.2
120.63520	0.1
121.02873	100.0
122.03216	2.6
145.02914	0.2
180.05746	1.2
181.06552	5.4
182.06882	0.3
186.56723	0.2
188.82013	0.1
206.56691	0.2
225.05571	6.6
226.05824	0.2
253.09091	0.2
255.65013	0.2
269.08337	0.2
284.73874	0.2
285.08368	0.2
313.07245	17.4
313.24115	0.2
314.07590	1.5
321.77094	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	1.8
58.00469	4.7
59.01266	100.0
61.57801	1.7
71.01270	70.3
71.60615	3.1
72.99194	6.8
73.02821	4.0
77.08545	1.8
83.01261	3.0
85.02850	12.1
87.00752	5.1
89.02338	69.8
95.01285	6.9
96.95867	1.9
99.00777	2.1
101.01700	3.4
101.02351	44.7
107.04932	23.8
113.02352	29.7
119.03425	31.9
121.02872	2.1
129.66574	1.7
131.03413	3.2
133.89534	1.6
137.02318	3.0
143.03433	4.0
150.06799	14.4
151.03935	6.4
161.04478	9.2
169.01427	2.6
238.87547	2.0
251.01826	2.1
277.15445	2.3
280.18069	1.9
313.05951	3.6
313.09396	18.8
313.24182	2.3
320.79391	2.1
338.63696	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	311.2236
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
54.74373	0.3
57.03331	0.8
59.01267	8.8
63.71964	0.3
70.77134	0.8
71.01268	1.5
73.02847	0.5
83.04884	0.3
83.10820	0.4
89.02326	0.8
97.06520	0.8
101.02331	1.3
109.47475	0.3
117.57378	0.4
123.08121	0.5
123.53086	0.3
125.06016	0.7
125.09649	3.8
139.11214	1.0
141.09143	1.8
141.12785	1.0
143.10660	0.5
149.05995	1.1
151.07568	0.6
152.27823	0.3
153.09154	1.4
155.14348	2.0
157.12318	0.8
161.04486	0.7
171.10223	2.1
181.15930	0.5
183.01163	0.4
183.13814	0.6
185.11844	0.6
197.02768	1.0
199.09721	1.0
200.10515	2.4
201.11238	0.4
213.00198	0.4
237.22211	0.5
239.23767	0.7
249.22260	2.8
251.11302	1.3
258.32376	0.3
265.21912	1.6
267.23331	1.2
275.20221	1.0
283.22644	0.4
293.21295	7.9
294.21741	0.9
311.16583	3.3
311.22348	100.0
312.17188	0.5
312.22675	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	311.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83430	0.8
57.03331	1.6
59.01266	18.9
69.46527	6.6
71.01282	2.5
73.02861	0.9
83.04921	1.1
89.02313	1.3
95.01291	0.9
99.08041	1.7
101.02354	2.0
123.08059	1.1
125.09652	2.5
127.11207	3.7
129.09135	2.1
134.32399	0.8
139.11232	7.1
149.06067	2.3
155.10727	2.4
171.10229	41.0
172.10551	1.4
181.12306	1.8
183.01172	1.0
183.10245	3.3
183.13774	0.9
184.02037	0.8
185.11812	7.7
197.09982	0.8
197.11784	3.3
199.13283	1.9
201.11325	6.5
211.13350	6.5
251.11356	2.9
275.20145	3.2
281.15454	1.2
283.17117	1.4
286.90729	0.8
293.21298	13.6
294.21579	1.2
311.17087	6.1
311.22354	100.0
311.29660	2.1
312.17209	1.3
312.22617	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	311.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03358	2.0
59.01266	65.0
61.98707	2.8
64.72732	2.3
64.96450	2.3
70.03716	10.9
71.01274	5.3
84.66100	2.0
85.02839	2.7
99.00812	3.1
101.02314	2.8
101.29382	2.2
102.19281	2.5
113.02368	4.1
120.49426	2.8
139.11212	2.9
149.06046	5.2
157.08655	5.0
158.00896	2.8
161.04539	2.5
171.10223	17.1
181.12340	2.7
200.89999	2.3
211.13402	2.9
249.22131	2.7
251.11372	11.3
293.21359	40.1
294.21783	3.2
311.17004	4.1
311.22379	100.0
311.29797	7.9
312.22772	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2237
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03320	0.5
59.01267	6.7
65.04558	0.2
71.01271	0.7
71.60316	0.3
78.42319	0.3
82.48593	0.3
85.02840	0.4
85.97125	0.3
89.02331	0.3
97.06470	0.4
99.08114	0.4
101.02369	0.4
113.09621	0.9
115.07568	1.7
126.61074	0.2
127.07572	0.8
128.08363	0.6
139.11232	0.3
149.06009	1.0
161.04507	0.5
165.12808	0.3
167.14389	3.8
183.01218	0.4
183.13866	3.2
195.13879	10.8
196.14163	0.5
211.13345	0.8
213.15005	1.6
229.14386	0.4
229.18217	0.3
241.14359	0.4
242.15193	1.0
247.16998	0.5
249.22235	0.3
250.22694	0.2
251.11397	1.2
265.21738	1.0
267.23331	0.7
275.20068	0.5
283.22699	0.4
293.21338	6.9
294.21738	0.6
311.22351	100.0
312.17282	0.3
312.22690	8.3
330.14038	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2078
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03317	1.6
59.01264	9.7
60.49821	0.8
63.45123	0.7
66.10212	0.7
67.01772	2.2
71.01274	1.2
71.23832	0.9
71.24159	1.1
80.03087	0.9
83.04906	1.2
85.02860	1.2
89.02344	0.8
93.03323	0.8
95.04878	1.1
96.95915	1.8
97.06505	1.5
101.02366	1.3
111.08045	2.4
121.10152	8.2
125.09639	7.9
127.07574	1.0
137.09660	5.3
141.50459	0.8
147.08067	1.0
151.03941	0.9
167.14337	1.1
171.10239	11.4
185.11807	10.3
195.13870	1.6
197.11812	4.8
209.11819	0.9
211.13385	60.4
212.13730	3.8
223.13354	1.0
247.20641	1.1
264.79208	0.9
273.18558	1.4
291.19727	100.0
292.20059	9.2
309.17233	2.2
309.20767	6.3
310.21216	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88778	1.5
59.01266	100.0
60.01581	1.9
64.46929	1.4
70.08797	6.3
71.01276	10.2
73.02834	3.5
85.02858	3.8
89.02330	3.1
95.01270	1.6
95.52956	1.4
98.19843	1.4
98.58247	1.2
99.00840	1.9
101.02356	9.1
111.93353	1.3
113.02363	4.5
123.00831	1.5
124.01524	2.6
125.02385	3.8
149.06000	1.7
151.07678	1.6
154.40268	1.6
161.04509	8.2
177.05557	1.3
179.07082	3.8
187.03899	1.5
205.05052	12.9
223.06099	2.5
251.11421	20.3
267.05173	2.6
311.04099	1.7
328.08276	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	311.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	16.2
71.01268	2.0
71.04916	1.1
71.27657	1.3
83.45135	0.6
84.38432	0.7
97.06445	0.8
99.00790	0.7
99.08094	0.7
101.02348	1.5
111.52786	0.7
112.17081	0.7
113.02391	0.7
139.11211	0.9
149.05984	1.9
151.00322	0.9
154.09923	1.7
177.12802	3.2
178.13596	0.9
184.56990	0.7
195.13879	2.6
196.14549	0.8
211.13403	0.8
211.84993	0.8
231.70236	0.8
249.22310	4.0
251.11427	2.7
266.69604	0.7
275.20056	0.9
293.21310	74.2
294.21680	7.1
295.45801	0.7
297.98785	0.7
310.33472	0.7
311.22357	100.0
311.29828	2.2
312.22678	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.208
Annotation	(9R,10E,12Z,15Z)-9-Hydroperoxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
55.35598	10.3
57.03370	10.0
59.01264	100.0
71.01271	34.7
71.60202	14.2
83.01276	11.2
89.02348	11.7
97.06480	14.2
99.00786	15.4
119.08585	28.5
119.68546	12.4
121.10156	43.9
125.09626	31.5
150.29941	10.3
150.84779	10.6
151.03941	16.5
151.07588	55.8
152.08363	25.1
158.61972	10.7
169.92032	12.6
171.10190	33.5
185.11790	43.9
197.11859	29.7
209.12053	11.7
209.15460	58.6
211.13414	11.7
226.08740	10.8
247.20872	12.0
252.10118	13.3
265.18124	13.9
273.18948	10.7
275.20200	21.0
291.19705	95.4
309.17047	93.3
309.20810	70.6
309.24469	24.6
310.17667	16.4
311.16980	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2079
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03341	0.9
59.01264	1.6
69.94463	0.3
71.01263	0.8
71.27461	0.5
97.02858	0.7
97.06497	1.7
111.08063	0.6
113.09618	2.2
115.07557	1.9
121.10165	0.4
123.00780	0.3
123.04465	0.4
125.06001	1.0
126.06808	1.3
127.07600	0.5
137.32043	0.3
139.11259	0.9
141.09116	1.9
149.09630	0.4
151.11269	0.7
152.08336	0.7
154.09921	0.4
155.10780	0.4
163.11229	0.8
165.12791	3.6
165.40082	0.3
167.10614	0.4
167.14331	1.4
177.12694	0.4
181.12309	4.3
183.13837	1.5
193.12325	1.5
193.16022	0.7
195.13876	2.0
209.15446	0.7
211.13406	4.2
213.15022	0.9
221.15486	2.0
229.14503	0.6
234.73233	0.3
237.22038	0.5
239.12810	0.6
240.13646	2.5
241.14235	0.7
242.15302	0.5
245.19084	0.5
247.20711	4.6
248.20999	0.6
263.20273	1.1
265.21802	0.6
273.18604	2.9
281.18655	0.4
281.21234	2.0
291.19730	38.5
292.20050	3.0
309.20782	100.0
310.21124	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	309.2081
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03333	1.1
59.01266	9.1
61.98701	0.9
69.45853	1.6
69.46262	4.4
71.01258	1.4
79.95586	0.8
89.02342	0.9
98.20542	1.4
99.00795	1.2
101.02335	1.5
109.06448	0.8
111.08044	2.3
112.41935	0.7
125.09688	0.9
127.11239	0.9
137.09607	1.4
151.03922	2.4
151.07578	5.5
151.11253	1.1
152.08339	2.6
153.09109	0.9
153.12796	4.0
155.10698	1.7
165.12848	1.0
166.04109	0.7
167.10695	1.1
169.12311	1.2
171.10168	1.2
179.10635	0.8
179.14339	1.8
181.12282	3.5
193.16077	0.9
194.62053	0.8
197.11761	2.5
199.13370	2.2
203.70557	0.7
207.13922	2.1
209.11833	0.8
209.15495	6.6
215.12831	2.0
227.13025	1.3
228.13593	0.9
247.20705	5.1
252.10071	1.1
263.20148	1.0
265.18027	1.4
273.18600	2.2
281.21289	1.3
291.19724	35.5
292.20029	3.1
309.17200	11.1
309.20740	100.0
310.17548	1.5
310.21048	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	5.8
57.26308	2.0
58.45070	1.8
59.01266	27.5
69.03344	3.0
71.01252	3.9
71.04909	3.9
83.04900	2.4
85.06483	2.7
89.02333	3.6
97.02847	2.7
97.06501	3.1
98.19817	7.0
99.00638	2.0
101.02302	2.6
108.20758	2.1
109.06513	2.3
151.07623	3.3
161.04460	2.1
171.10216	3.2
195.13893	13.6
221.15501	13.2
222.15576	2.4
223.13426	5.5
229.31474	3.1
239.16554	3.3
246.98724	2.6
247.20714	2.6
251.16565	3.1
291.19717	73.7
292.20105	4.9
309.17346	5.5
309.20776	100.0
310.21063	10.7
314.88330	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	309.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66578	0.6
57.03329	1.3
58.00479	1.2
59.01260	6.2
61.85883	0.6
67.77247	0.7
69.03339	1.2
70.89078	0.9
70.89436	1.9
71.04910	1.4
83.04927	1.1
84.06112	0.8
89.02328	0.9
97.06484	1.5
99.00773	1.2
109.06483	1.7
111.08066	35.6
115.63747	0.9
127.07545	1.5
133.69556	0.8
137.09589	0.9
151.03952	3.1
151.07581	5.9
152.08400	4.9
153.09059	0.9
153.12779	2.4
169.12279	6.9
171.10208	0.8
181.12329	2.1
183.13802	1.3
184.07376	0.8
193.08658	0.8
197.11812	100.0
198.12134	6.2
199.13417	4.3
209.15440	11.4
211.13402	10.1
212.13686	0.8
223.16992	0.7
227.12993	4.1
241.03325	0.8
247.20709	1.0
251.16512	1.5
252.10017	1.4
263.20187	3.6
265.18207	4.7
273.18652	1.7
291.16351	1.7
291.19687	21.3
292.20065	1.8
309.17148	17.6
309.20807	41.3
310.17432	2.2
310.21210	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	10.1
69.03355	1.2
71.01268	2.8
73.02834	1.1
76.29240	0.7
83.04925	1.3
91.54369	0.7
95.01283	0.8
97.33921	0.8
99.00768	2.5
101.02354	1.2
103.60215	0.8
107.06893	0.9
107.07640	0.9
109.06524	0.9
111.08071	24.8
112.08407	0.9
127.07531	1.8
137.09673	1.4
149.09685	0.8
151.03943	5.4
151.07585	9.8
151.11145	1.8
152.08395	6.6
153.12764	1.2
167.10785	1.3
169.12260	6.3
171.10207	3.0
179.10715	1.1
181.12299	2.6
183.13858	1.5
184.07411	1.0
185.11713	1.0
193.08669	1.4
193.12283	1.0
197.11816	100.0
198.12140	5.3
199.13347	3.6
209.15474	12.5
211.13362	9.8
212.13643	1.2
227.12917	2.6
252.10124	2.2
263.20233	6.6
265.18024	5.2
273.18686	1.7
291.16611	1.4
291.19705	22.6
292.20020	2.5
292.86462	0.8
309.17123	23.4
309.20770	46.5
310.17548	2.1
310.21097	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	309.12
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
52.89181	0.7
55.01763	0.7
55.98582	0.7
57.03321	0.5
58.00483	1.1
59.01268	29.6
67.36586	0.6
70.14014	1.3
70.14429	2.1
71.01274	15.1
71.04909	1.9
72.99181	1.2
73.02827	2.3
75.00760	0.8
83.01264	1.0
85.02837	5.1
87.00768	0.9
89.02338	13.4
95.01300	1.0
97.02765	0.6
99.00812	1.7
99.04434	1.6
101.02358	8.5
101.05985	9.7
113.02380	6.0
117.01846	1.1
119.03427	5.3
129.05518	8.3
131.07002	0.6
143.03452	0.9
147.06570	29.5
161.04514	1.9
163.33670	0.6
177.05559	1.8
179.05573	2.5
221.04465	2.0
247.02396	0.9
265.03647	1.1
309.11981	100.0
310.12314	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	309.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	2.6
58.00494	1.3
59.01259	10.6
69.03332	5.0
71.01267	2.4
71.04929	1.7
71.08305	1.5
71.08633	2.5
75.30262	1.1
81.08407	1.2
83.04913	1.8
97.06512	1.2
99.00768	3.0
111.08073	1.4
119.08591	16.1
123.04468	1.4
125.09650	7.2
127.11203	3.1
135.08081	2.2
137.09653	30.8
149.09566	1.4
151.03961	7.7
151.07600	17.3
151.11247	1.6
152.08385	11.2
153.09035	1.9
155.10704	3.8
162.10417	3.0
167.10660	4.6
171.10225	100.0
172.10539	5.0
183.10197	5.2
183.13748	1.5
184.07298	2.4
185.11807	25.4
186.12106	1.5
190.09987	2.5
193.08713	2.0
197.11804	7.1
201.11259	7.4
208.10995	2.4
209.15456	24.3
210.15813	1.5
211.13429	2.7
213.11249	9.2
219.17436	2.9
229.19701	2.7
247.17017	1.8
247.20737	2.5
252.09987	3.7
265.18121	6.4
273.18677	10.6
291.16360	2.4
291.19708	41.7
292.20071	3.6
298.43347	1.2
309.17093	48.1
309.20761	52.4
310.17462	5.2
310.21060	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	309.12
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
51.78482	1.1
57.03362	1.3
57.04998	1.4
57.19344	1.4
58.00479	2.4
59.01267	61.4
60.82160	1.2
65.40734	1.1
71.01270	35.9
71.04898	3.0
71.59340	1.6
72.99197	3.7
73.02839	6.7
75.00758	4.2
79.05417	4.0
82.46472	1.1
83.01296	3.0
85.02845	8.7
87.00761	2.2
89.02343	34.9
95.01276	2.9
98.00591	2.1
99.00790	10.1
99.04414	2.6
101.02354	18.3
101.05986	8.7
105.06998	2.1
107.04948	1.7
111.00784	1.8
113.02354	12.9
115.05486	1.7
117.01859	13.4
119.03438	13.2
120.99577	2.1
121.02890	2.2
121.06524	1.9
124.01593	1.4
125.02389	2.3
129.01888	2.1
129.05505	15.1
131.04953	4.0
133.06505	3.7
134.03688	2.9
137.02324	1.8
142.78302	1.3
143.03404	3.2
147.06572	32.9
148.06926	1.7
149.02325	1.5
149.06044	29.3
159.04472	13.1
160.74312	1.2
161.04521	3.4
162.03148	10.5
165.04036	1.4
165.05449	1.3
175.03975	5.2
177.02028	1.9
177.05539	62.4
178.05881	4.2
179.05605	7.4
191.03485	3.1
192.00613	2.4
193.01404	1.5
193.05119	2.6
203.03493	4.6
221.04585	47.1
222.04886	4.0
237.06302	1.4
247.02518	6.0
252.40198	1.4
265.00699	2.2
265.03592	43.9
266.03912	2.5
309.03067	7.5
309.11996	100.0
310.12210	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	309.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00453	2.9
59.01263	100.0
66.41900	2.5
70.33823	2.7
71.01269	73.5
71.33438	3.0
71.33804	4.1
72.99191	5.2
73.02847	3.8
77.00838	2.8
78.95795	3.3
81.03358	3.4
83.01310	3.6
85.02844	8.8
87.00794	5.0
89.02339	94.6
95.01268	4.4
96.96864	4.2
98.00635	4.9
99.00778	35.3
101.02341	34.5
104.18975	2.6
113.02380	30.8
119.03429	32.1
143.03424	5.0
149.06044	5.9
161.04533	7.5
175.04025	3.0
177.05534	13.2
179.05573	28.0
203.03540	3.8
221.04514	14.9
265.03656	7.9
309.02731	2.8
309.08383	11.7
320.48917	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	309.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00453	2.9
59.01263	100.0
66.41900	2.5
70.33823	2.7
71.01269	73.5
71.33438	3.0
71.33804	4.1
72.99191	5.2
73.02847	3.8
77.00838	2.8
78.95795	3.3
81.03358	3.4
83.01310	3.6
85.02844	8.8
87.00794	5.0
89.02339	94.6
95.01268	4.4
96.96864	4.2
98.00635	4.9
99.00778	35.3
101.02341	34.5
104.18975	2.6
113.02380	30.8
119.03429	32.1
143.03424	5.0
149.06044	5.9
161.04533	7.5
175.04025	3.0
177.05534	13.2
179.05573	28.0
203.03540	3.8
221.04514	14.9
265.03656	7.9
309.02731	2.8
309.08383	11.7
320.48917	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	307.1923
Annotation	Albocycline
Peak:m/z	Relative Intensity
51.39686	1.5
55.01750	2.2
55.72544	1.4
57.03336	7.2
59.01266	29.2
69.03343	3.4
69.31964	6.1
69.32405	8.9
71.01272	4.6
73.02821	1.8
79.38450	1.4
79.95637	3.1
81.03362	6.5
83.01285	10.5
83.04916	6.0
85.02812	3.7
89.02313	1.7
95.04917	4.4
97.02851	6.6
97.06501	11.8
109.06516	3.1
111.08061	1.6
119.01389	1.8
121.06515	2.8
123.04436	11.7
123.08089	5.9
125.06003	2.3
125.09671	15.7
135.08064	4.2
137.06023	2.1
137.09671	15.1
141.12762	3.2
142.02583	1.7
146.59036	1.5
147.00795	2.2
149.06013	3.8
161.04500	4.6
161.09561	1.7
163.00307	2.1
163.07588	1.5
163.11255	18.1
165.09155	2.2
165.12805	5.3
167.10760	1.9
171.10208	2.8
174.76787	1.4
179.10735	2.5
181.12323	2.7
185.11829	22.1
191.10786	3.2
191.14391	18.7
207.10242	11.5
209.11845	54.8
210.12180	2.0
216.97743	2.6
217.15932	2.1
225.11346	11.7
233.15450	4.6
245.19128	47.5
246.19458	2.9
261.18542	1.7
263.20215	2.4
271.17087	5.4
279.20139	1.9
289.18158	100.0
290.18484	8.8
307.10605	2.9
307.19238	54.4
308.19293	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	307.2287
Annotation	Isoobtusilactone A
Peak:m/z	Relative Intensity
52.67035	0.5
59.01266	2.9
65.55992	0.5
71.01258	0.7
108.04525	0.5
144.57477	0.6
161.04546	1.2
190.85187	0.5
190.99738	0.6
229.21106	0.7
278.97522	0.6
285.50110	0.6
306.97430	0.6
307.22855	100.0
308.23175	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	308.0275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01796	0.5
59.01268	5.3
71.01273	5.2
71.58228	0.5
72.99191	0.6
73.02838	1.3
75.00753	0.4
78.95796	0.7
82.02896	0.7
83.01285	0.4
85.02863	1.1
86.02423	0.4
87.00744	0.5
89.02340	5.3
89.68534	0.3
93.65836	0.4
96.95910	0.6
96.96860	1.8
98.00603	100.0
99.00862	3.3
100.86945	0.4
101.02362	2.2
113.02388	2.5
114.01930	0.4
117.01851	3.0
119.03411	2.6
120.99570	22.5
121.99845	0.3
128.03531	0.5
129.05447	0.4
131.04953	0.5
134.03654	0.3
143.03531	0.7
147.06604	0.8
149.06070	2.0
159.04529	0.6
161.04482	0.7
177.05533	4.2
179.05551	2.6
179.18388	0.4
186.02272	27.4
187.02621	1.0
201.83266	0.4
221.04573	3.8
247.02501	0.5
265.03592	5.3
308.02808	5.4
309.02795	0.7
309.08569	0.7
309.11957	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	307.1922
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.00193	1.4
51.45924	1.6
51.62623	1.5
56.59229	1.6
56.80468	1.6
59.01266	31.3
63.54707	1.5
67.75912	1.8
69.66368	13.3
71.01273	8.1
71.04907	5.4
73.02837	2.1
80.02518	2.2
81.03365	2.7
83.04935	2.1
85.02858	3.2
96.95926	2.4
97.02862	2.2
98.03604	1.7
98.20501	3.9
101.02354	2.2
109.06507	14.7
111.04427	4.8
113.02357	1.9
115.03920	2.6
119.01331	1.8
123.08100	2.2
127.07558	3.8
149.05972	2.0
161.04478	6.2
167.10706	2.7
177.12819	2.0
190.99884	1.9
195.13889	4.7
245.00928	2.4
245.19144	8.0
259.13464	2.0
287.16473	2.5
289.18179	100.0
290.18637	10.4
307.10385	3.8
307.16095	3.8
307.19281	19.8
307.22693	3.6
308.19705	2.9
320.62469	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	307.123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01067	0.2
59.01266	2.3
59.96625	0.3
62.07961	0.2
71.01281	0.4
71.08852	0.6
74.98959	3.9
74.99351	0.4
79.50066	0.2
85.02861	0.2
91.02115	3.3
92.71515	0.2
93.00036	3.1
115.03962	0.3
149.00911	2.2
159.08411	6.7
160.08617	0.3
161.04518	1.0
161.06328	1.7
163.00241	0.3
171.96541	0.3
174.05205	0.3
178.73009	0.3
192.98074	0.6
206.99712	1.1
209.01286	1.8
217.07259	0.8
223.02849	50.1
224.02887	3.3
225.00714	0.7
241.03972	1.5
275.05988	0.4
289.07745	1.7
290.07379	0.3
291.09167	100.0
292.09274	10.2
307.12433	4.5
308.12274	0.5
309.10214	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	307.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08422	0.2
56.61467	0.2
59.01269	1.8
59.96625	0.3
60.97396	0.2
63.24327	0.2
69.91112	0.6
69.91546	0.5
71.01292	0.5
74.98962	4.1
75.96122	0.3
91.02119	2.9
91.31655	0.2
93.00037	3.6
101.02374	0.2
111.17592	0.2
115.03940	0.3
141.02379	0.2
149.00887	2.1
159.08414	6.6
160.08669	0.3
161.04527	0.6
161.06334	1.8
192.98091	0.5
206.99687	1.3
209.01250	2.6
217.07208	0.7
218.07433	0.2
218.99309	0.2
223.02847	47.3
224.02908	3.8
225.00787	0.5
241.03908	1.5
275.06064	0.5
289.07541	1.9
291.09174	100.0
292.09290	9.5
307.12415	4.4
308.12369	0.3
309.10242	2.3
321.17163	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1408
Annotation	NSC-224070
Peak:m/z	Relative Intensity
53.34159	0.3
55.01769	0.7
57.03341	0.5
58.00487	1.6
59.01268	36.4
60.01604	0.6
60.44816	0.3
63.38842	0.3
63.39179	0.3
69.03326	0.4
69.53323	2.5
71.01273	22.6
72.99189	1.8
73.02839	1.8
75.00799	0.3
83.01283	1.9
85.02847	4.0
85.18571	0.3
87.00784	1.5
87.51926	0.3
89.02344	18.2
90.02695	0.5
95.01286	2.2
96.95927	0.5
98.20535	0.6
99.00782	0.5
99.08063	19.2
100.08384	0.6
101.02355	13.6
113.01616	0.6
113.02370	8.2
113.03164	0.5
119.03426	7.1
127.07585	3.1
129.09154	1.9
131.03455	0.7
141.09164	1.8
143.03410	0.5
143.07109	0.4
145.08655	62.2
146.09041	2.0
161.04559	1.1
179.05592	0.8
187.09789	2.0
217.01433	0.4
218.63634	0.4
219.03073	0.4
245.01073	0.4
263.02084	0.5
292.11020	0.7
307.14056	100.0
308.14398	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	307.0103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93547	0.5
58.72495	0.6
59.01260	5.1
59.69180	0.6
64.99887	1.1
65.00208	10.7
65.03857	1.2
70.02824	2.9
71.01266	2.0
73.02843	0.7
85.02826	0.9
89.02328	0.8
91.05452	0.7
93.03365	1.9
95.01292	1.1
98.77391	0.6
101.02327	0.8
105.03358	1.3
107.04938	3.3
109.02825	0.6
111.00809	1.6
115.37811	0.5
117.03385	5.9
119.04961	3.9
121.02872	8.3
123.00805	0.7
123.04447	1.7
125.02382	1.4
133.02890	4.1
135.04475	6.8
137.02364	1.5
139.00299	0.7
144.59895	0.7
145.02887	16.3
147.00827	3.9
147.04460	9.9
149.02371	1.5
151.03973	1.5
161.02400	9.8
161.04489	1.0
162.02762	1.2
163.02686	1.1
163.03961	15.1
164.04266	0.6
165.01825	1.2
173.02383	4.5
175.03972	2.1
177.01910	2.1
178.99757	1.0
179.03519	1.1
189.01909	39.0
190.02310	3.3
191.03493	10.3
192.00629	1.3
192.03868	0.8
201.01950	1.3
205.01447	2.9
206.02098	0.8
206.99405	0.9
207.02974	3.5
209.00977	1.0
214.99893	1.3
217.01422	62.4
218.01772	4.1
219.02983	11.7
233.00925	2.0
235.02518	2.9
245.00943	100.0
246.01288	6.5
263.02020	49.7
264.02353	3.7
307.01041	6.5
307.07614	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0674
Annotation	Leucocyanidin
Peak:m/z	Relative Intensity
50.55280	0.5
51.11472	0.5
51.31734	0.7
51.87708	0.6
57.03339	5.8
58.85662	0.6
59.01263	11.2
67.01766	0.9
68.99712	0.9
69.03342	2.2
71.01277	3.2
71.60876	0.8
79.95654	0.6
81.03350	2.4
83.01275	6.1
83.04915	1.2
85.02840	1.3
93.03372	3.3
95.01288	6.2
95.04937	4.2
96.95918	21.9
97.02846	6.4
99.00784	14.6
99.04422	3.9
99.05492	0.6
107.04912	0.9
108.02052	1.3
109.02870	27.2
110.03206	1.3
111.00794	17.5
111.04424	2.0
113.02345	2.3
113.05977	1.3
121.02870	5.9
123.00798	7.2
123.04445	13.5
124.01611	3.3
125.02368	32.8
127.00275	1.5
127.03933	1.1
127.35985	0.8
128.03477	0.9
131.04950	1.4
133.02869	2.4
134.80667	0.7
135.04457	4.1
137.02379	29.1
138.03062	2.3
138.99254	1.1
139.00313	20.4
139.03970	8.2
140.01118	4.2
140.93436	0.6
141.01875	6.9
143.04604	1.0
147.04456	1.1
149.02402	8.0
149.05966	1.7
151.03961	6.4
153.01917	3.7
155.03445	0.8
159.04492	6.0
161.02394	19.2
161.05992	1.4
162.03175	7.5
163.00285	0.8
163.03966	3.5
164.01181	3.7
165.01871	8.6
165.05508	3.1
166.02559	1.5
167.03447	8.8
173.06073	2.3
175.04031	4.5
175.07652	1.0
177.01918	1.6
177.05525	6.9
179.03491	4.2
181.01329	0.7
181.05031	2.8
183.02956	0.9
183.04489	0.8
187.03961	1.1
189.02040	1.0
189.05472	1.1
191.03432	1.1
191.07114	1.1
195.02965	1.9
201.05528	3.3
203.03505	4.3
204.04198	0.7
205.05051	4.6
215.07207	0.9
217.05063	1.8
219.06601	7.0
221.04657	1.2
225.11365	5.5
231.02997	1.1
233.22604	0.7
237.07581	0.9
241.05066	0.6
243.06602	4.3
245.04379	0.7
246.01718	1.1
259.06137	2.8
261.04163	4.9
261.07770	4.1
269.04602	2.2
269.67273	0.7
277.07297	1.2
287.05661	10.2
288.06107	1.0
288.25192	0.7
297.31192	0.7
305.03220	4.3
305.06766	100.0
306.07111	7.2
312.82477	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0676
Annotation	(+)-Gallocatechin
Peak:m/z	Relative Intensity
50.06753	1.3
57.03331	6.4
57.04288	1.7
59.01252	3.9
66.83746	1.4
71.33810	3.2
71.34151	1.6
77.78113	1.5
81.03366	3.1
83.01286	3.6
93.03352	3.3
95.01297	2.7
95.04942	3.6
97.02846	4.6
109.02859	15.9
111.04427	3.4
116.20615	1.6
120.34507	1.4
121.02857	3.1
123.00788	6.0
123.04449	1.6
124.01572	4.6
125.02370	99.7
126.02686	2.3
129.13609	1.4
137.02377	31.2
138.03046	1.5
139.03944	24.6
147.04439	1.9
149.02347	1.8
149.06000	1.8
151.04007	2.8
161.02333	3.9
164.01073	5.5
165.01881	25.3
166.02570	2.8
167.03459	21.3
173.06104	1.7
175.03967	2.2
177.01967	2.4
177.05519	5.0
179.03485	25.0
191.03616	1.8
191.07130	1.8
203.03455	3.1
204.04301	3.0
215.36021	1.4
219.06624	19.4
220.07034	2.0
221.04610	8.4
243.06654	1.9
261.07693	7.5
263.17142	1.6
305.06738	100.0
306.07031	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90257	0.4
57.03344	7.8
59.01260	0.9
62.99076	0.4
68.99696	0.6
69.03352	2.0
69.36233	0.5
70.13496	2.4
81.03356	3.6
81.14156	0.4
83.01275	4.0
83.04973	0.8
93.03382	2.0
95.01285	2.5
95.04957	3.2
95.43248	0.5
97.02863	4.7
107.04926	1.0
108.02078	0.6
109.02869	16.3
110.03219	0.6
111.04439	5.6
119.04939	0.6
121.02882	3.0
123.00811	6.9
123.04446	2.3
124.01590	6.2
125.02373	100.0
126.02734	2.9
129.03491	0.5
131.05040	0.5
133.02887	0.8
135.04440	2.1
137.02380	30.9
138.03088	2.1
139.03951	23.7
140.04305	0.7
147.04491	1.8
149.02386	1.6
149.06041	1.6
151.03958	3.7
155.03461	0.5
159.04471	2.3
161.02409	4.2
162.03178	0.6
164.01117	7.2
165.01892	22.2
166.02652	2.5
167.03459	25.3
168.03789	0.8
173.06084	1.6
175.04010	3.2
175.07603	1.0
176.04706	0.6
177.01915	1.9
177.05492	4.6
178.02640	1.2
179.03468	18.3
180.03860	1.0
181.05101	0.8
189.05540	1.0
191.03395	0.8
191.07108	2.1
197.06204	0.5
199.03984	0.5
200.04724	0.6
201.05579	1.5
203.03510	3.4
204.04265	3.3
215.07156	0.9
219.06622	17.0
220.06995	1.4
221.04556	8.1
222.04979	0.7
233.08093	0.9
237.07716	1.2
243.06795	1.2
247.02513	0.6
261.07767	5.8
262.08005	0.7
263.05582	0.8
287.05734	0.7
305.06738	66.3
306.07083	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	305.031
Annotation	Methyl brevifolincarboxylate
Peak:m/z	Relative Intensity
59.01259	1.7
65.00216	0.6
69.03326	0.5
69.70127	1.7
71.01270	0.6
79.95623	0.4
81.03313	0.4
85.02835	0.5
93.03368	0.4
95.01276	0.4
96.95907	0.7
97.02829	0.8
101.03912	0.3
102.60557	0.3
105.03381	0.4
107.04942	0.6
109.02842	0.7
111.00781	0.6
113.02325	0.6
117.03365	2.8
121.02858	1.0
123.00809	0.5
125.02334	1.2
133.02892	3.4
135.04431	0.5
137.02354	0.5
141.01884	1.2
145.02902	6.7
147.04410	0.7
150.06294	0.3
153.01910	0.4
157.02937	0.6
161.02382	9.7
162.02768	0.4
163.02701	0.3
163.03935	2.3
173.02405	6.0
175.04091	0.4
177.01837	0.4
189.01904	12.8
190.02328	0.9
191.03609	0.3
201.01909	6.5
216.00604	0.9
217.01424	51.1
218.01805	3.3
229.01411	5.2
245.00945	45.1
246.01329	3.2
261.00217	0.4
263.02036	1.1
273.00467	100.0
274.00824	6.4
288.99936	1.8
305.03107	53.9
306.03525	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	305.031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.9
71.04901	0.3
71.59882	0.5
117.03375	1.5
121.02871	1.0
125.02368	1.0
133.02885	7.4
139.03975	0.7
139.35400	0.4
145.02895	3.5
149.02400	2.8
160.01543	0.5
161.02411	6.1
163.03896	0.6
168.04604	0.4
171.10136	0.3
173.02408	2.5
174.02724	0.4
177.02026	0.6
183.85757	0.4
188.01157	0.6
189.01912	13.2
189.03635	0.7
190.02274	0.6
200.01183	0.9
201.01868	1.0
207.89714	0.4
216.00645	8.3
217.01427	17.4
218.01782	1.2
228.00612	1.9
232.97218	0.3
244.00172	11.4
245.00932	27.8
246.01378	2.0
261.00497	0.4
273.00473	100.0
274.00763	6.8
305.03235	5.6
305.09634	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0312
Annotation	2-Protocatechoylphloroglucinolcarboxylate
Peak:m/z	Relative Intensity
52.16692	0.1
59.01267	0.6
59.61673	0.1
68.65356	0.1
75.22838	0.1
79.10625	0.2
96.95924	0.3
98.20556	0.4
106.04150	1.5
110.70738	0.2
121.02861	0.4
125.02390	0.2
133.02896	0.3
138.03143	0.3
141.62540	0.1
145.02859	0.3
146.03700	0.4
161.02373	0.5
162.03120	0.4
165.29254	0.1
173.02425	0.8
175.00371	0.2
189.01907	2.6
190.02698	18.4
191.03044	1.1
211.52284	0.1
217.01430	17.8
218.02203	18.7
219.02522	1.1
229.90985	0.2
246.01738	100.0
246.99446	0.1
247.02051	6.8
261.04095	36.7
262.04425	2.9
262.99588	0.1
278.00754	0.8
305.03134	4.2
305.06577	0.3
306.03470	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70565	0.2
56.30024	0.2
58.02862	41.2
58.81347	0.2
59.01266	1.4
59.03198	0.6
71.30510	0.5
83.51380	0.2
89.00270	0.2
131.48781	0.2
141.01590	0.2
160.98770	0.3
168.13890	100.0
169.14247	5.2
181.15663	0.2
212.12904	5.0
237.04158	0.2
272.21414	0.2
304.15982	0.2
304.19287	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	304.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.8
58.00480	0.9
59.01265	100.0
60.01609	1.3
71.01267	6.3
71.17688	1.7
73.02846	1.3
75.00779	2.3
77.22229	0.5
82.02879	8.3
83.01260	1.1
85.02832	6.2
85.03284	0.6
87.00774	1.1
89.02318	3.2
94.02911	3.1
95.01316	0.7
96.04447	0.6
97.02837	1.4
99.00792	1.0
101.02344	6.4
108.79391	0.6
109.02869	1.5
112.10323	0.7
113.02353	20.4
114.02746	0.7
119.03413	6.0
124.01495	0.6
124.03963	13.0
125.02388	2.4
127.03941	2.0
136.03995	2.6
137.02434	0.9
139.03954	1.3
143.03432	3.8
154.05049	1.3
161.04424	0.9
166.02649	0.7
201.52829	0.7
305.06876	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	303.0519
Annotation	Dihydrorobinetin
Peak:m/z	Relative Intensity
54.02682	2.0
55.01764	4.1
57.03307	4.2
67.01765	3.0
68.99700	2.8
69.52635	9.4
69.53064	6.7
71.01297	3.1
74.19330	2.1
74.85458	2.3
81.03344	9.5
83.01273	3.9
85.02834	5.7
93.03366	6.1
95.01289	2.6
97.00124	2.2
97.02879	4.3
99.00778	15.2
108.02055	4.4
109.02869	28.8
111.00788	18.5
113.02412	2.1
121.02919	4.9
123.00774	7.6
123.04457	4.0
125.02382	100.0
126.02715	3.3
127.00300	3.5
131.05014	2.1
133.02838	6.0
135.04465	3.5
137.02394	42.1
138.03177	8.4
139.00316	40.6
139.03925	5.7
140.01056	2.5
141.01886	92.3
145.02879	3.5
147.04463	5.9
148.01442	2.6
149.02396	13.4
151.03903	2.3
152.01073	3.9
153.01883	70.9
161.02414	44.2
162.03088	3.8
163.00369	2.5
163.03928	6.2
164.01099	5.9
165.01889	19.6
166.02641	11.2
167.03458	15.9
171.04396	5.0
173.02428	3.4
173.06026	4.1
174.03166	6.5
175.03984	31.3
177.01912	16.6
180.00575	8.3
181.01344	6.8
185.06100	2.9
187.04042	3.2
188.04774	1.9
189.05498	7.3
191.03491	3.7
193.05014	2.4
199.03951	7.0
201.01970	11.0
203.03517	11.4
213.05574	7.4
216.04280	4.1
217.05083	30.0
218.05415	3.2
225.86481	2.2
231.03040	3.7
231.06635	6.9
235.06104	7.4
241.05119	8.6
243.02971	2.9
257.04575	9.5
259.06085	14.6
261.04272	4.5
275.05621	5.8
285.04150	34.3
286.04602	4.1
303.05145	96.0
304.05670	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	303.052
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
57.03333	13.4
59.01253	6.7
65.00208	2.7
70.15565	1.4
71.60054	1.6
81.03336	2.6
83.01292	8.0
88.63835	1.5
89.12240	1.4
97.02874	1.9
99.00772	3.1
105.03378	1.5
107.01306	3.4
109.02866	11.1
111.00776	5.9
113.75358	1.4
117.36243	1.4
121.02889	3.1
123.00814	2.9
123.04433	5.9
124.01545	1.8
125.02378	100.0
126.02673	3.3
129.19357	1.4
133.02870	1.7
137.02377	12.0
139.00272	7.8
139.04018	1.4
139.30792	1.4
140.07079	4.9
141.01878	19.7
141.07422	6.4
145.02899	1.9
146.03708	2.5
147.04492	3.6
149.02397	6.7
150.03188	5.4
151.00301	5.5
151.03990	7.2
152.01088	3.6
153.01891	20.1
161.02415	8.8
161.06024	1.9
163.03938	2.7
165.01926	4.2
167.03474	2.2
169.01370	1.7
171.04430	2.3
173.06120	2.2
174.03136	4.6
175.03963	22.0
177.01910	19.1
178.99800	6.7
180.00554	2.5
181.01385	3.0
181.89050	1.7
188.04825	2.8
189.05522	3.9
191.03401	2.1
193.05130	2.9
199.03961	5.9
201.01929	3.6
203.03510	3.0
213.05562	2.6
217.05080	13.8
231.06789	2.9
235.06030	2.1
241.05089	6.7
243.03105	1.8
257.04718	2.8
259.06122	6.4
275.05573	5.8
285.04135	59.3
286.04398	5.4
303.05185	29.7
304.05548	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	301.1668
Annotation	Viridamine
Peak:m/z	Relative Intensity
52.96238	0.2
58.32749	0.2
59.47214	0.2
60.97390	0.6
70.98937	0.5
71.96660	0.2
74.98992	0.7
87.76522	0.2
98.82550	0.2
100.60485	0.2
113.46720	0.2
118.96221	0.2
120.97807	0.2
134.99333	3.3
136.97263	1.3
141.07327	0.4
143.05258	0.4
150.98849	0.3
159.08472	1.2
161.06345	5.0
185.02380	0.3
201.04065	0.4
203.05638	2.4
205.03516	0.7
215.05656	0.7
217.07225	68.8
218.07317	4.9
229.01373	0.2
235.08252	0.3
251.87502	0.2
261.06274	0.5
283.99695	0.3
285.13553	28.9
286.13736	2.6
300.99985	4.7
301.16684	100.0
302.00381	0.5
302.16885	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97977	0.3
56.76981	0.3
59.01253	0.4
63.02282	8.2
65.00211	13.0
69.61843	2.0
76.93864	0.3
83.00802	0.7
83.01278	8.3
93.03362	3.9
95.01277	0.4
95.12074	0.3
98.20512	0.7
107.01299	20.1
107.45342	0.3
108.01615	0.5
109.02858	2.5
117.03381	0.8
119.04948	0.4
121.02877	20.2
122.03226	0.8
123.00843	0.4
124.01615	0.6
125.02383	0.8
129.03407	0.7
133.02879	0.6
137.02365	0.5
139.03943	2.2
139.34662	0.3
143.04977	0.5
145.02881	3.2
145.29126	0.3
147.00781	0.3
147.04457	0.9
149.02382	2.8
151.00314	59.3
152.00653	1.8
157.02913	1.3
157.48804	0.4
159.04459	0.7
161.02396	1.8
163.00331	1.3
163.03963	2.0
164.01131	1.3
165.01938	0.4
167.05000	0.3
169.01373	3.6
171.04507	0.3
172.01596	0.3
173.02428	3.4
175.03993	1.0
178.20036	0.3
178.99834	22.2
180.00139	0.9
183.04453	0.6
184.01715	0.5
185.02429	3.9
187.04002	0.7
189.01929	0.9
192.00603	0.5
193.01430	1.3
193.41774	0.3
199.00418	0.6
199.03975	0.6
201.01930	4.1
201.05627	0.7
203.03549	0.5
205.05023	0.6
211.04031	1.1
213.01904	0.5
216.00613	0.3
217.01457	1.0
221.72008	0.3
226.99886	1.0
227.03531	1.4
228.00687	0.7
229.01471	5.3
229.04927	1.6
230.02086	0.6
231.03004	0.3
244.00114	0.6
245.00975	2.4
245.04561	1.7
254.99449	0.6
255.03012	1.0
256.03793	0.4
257.00919	2.3
257.04709	0.6
273.01132	0.5
273.04099	3.3
283.99713	5.5
285.00085	0.6
299.02063	0.6
299.99188	5.3
300.02475	0.2
300.99997	100.0
301.03625	92.7
302.00327	6.9
302.03970	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	301.0361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.23662	0.4
63.02016	0.7
63.02285	7.6
65.00208	15.1
65.72284	0.4
69.48609	3.6
69.49020	0.7
83.01277	8.5
93.03355	4.3
95.01324	0.7
107.01298	24.9
109.02869	2.9
117.03371	0.9
121.02881	22.0
123.00804	0.5
124.01572	0.5
125.02367	1.3
129.03401	1.3
133.02879	1.3
135.00893	0.7
139.03922	1.5
145.02898	3.2
147.04390	1.4
149.02371	2.9
151.00310	70.2
152.00670	2.4
157.02875	1.4
159.04478	0.8
161.02399	1.9
163.00340	1.2
163.03920	1.9
164.01089	1.4
169.01390	3.5
169.02719	0.9
173.02432	3.8
178.99826	23.3
180.00179	1.2
185.02403	5.3
187.04022	0.6
189.01904	1.3
191.03456	0.6
193.01315	1.6
199.03992	0.7
201.01907	4.6
201.05554	0.7
202.21962	0.5
205.05057	1.0
211.04047	1.1
217.01447	1.3
217.04958	0.6
226.99855	1.0
227.03514	1.2
228.00673	0.7
229.01440	5.4
229.05035	2.1
243.02866	0.7
244.47652	0.6
245.00978	2.7
245.04671	1.3
250.01239	0.6
255.03036	1.3
257.01001	2.5
257.04691	0.8
273.04092	3.6
283.99722	5.1
284.02719	0.9
299.02155	0.6
299.99216	5.4
300.99985	100.0
301.03625	93.8
302.00323	7.1
302.03964	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.9996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29250	0.2
58.77219	0.2
69.56766	1.3
69.57187	0.7
81.71581	0.2
111.68125	0.2
117.03408	1.4
119.04907	0.3
129.03380	1.4
133.02887	0.6
141.03291	0.2
145.02901	4.5
147.04471	0.7
157.02908	1.8
161.02397	0.8
163.03969	1.3
171.00888	0.4
172.01535	0.3
173.02415	4.4
183.00781	0.2
184.01654	0.7
185.02428	6.1
186.02824	0.5
189.01903	1.3
190.99829	1.2
199.00391	1.1
200.01056	0.9
201.01938	4.9
202.02269	0.3
206.02205	0.3
213.01880	0.7
216.00587	0.5
217.01411	1.5
218.68701	0.3
221.04535	0.7
226.99905	2.2
228.00621	1.3
229.01430	7.3
230.01784	0.5
240.00502	0.3
244.00116	0.7
245.00958	3.8
245.64404	0.2
254.99428	1.0
257.00916	3.4
258.01465	0.3
271.99695	0.4
273.00433	0.9
282.99164	0.3
283.99701	8.5
285.00064	0.7
299.99191	7.2
300.02686	0.4
300.99966	100.0
302.00314	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	300.9997
Annotation	Unknow
Peak:m/z	Relative Intensity
70.99917	0.7
84.16779	0.3
117.03372	1.4
119.04929	0.4
123.00730	0.4
125.02384	0.7
129.03391	1.0
133.02847	0.4
140.01001	0.6
145.02864	3.4
147.04489	0.8
157.02878	2.0
161.02304	0.5
163.03938	1.2
169.01360	0.7
173.02394	4.3
185.02415	5.7
189.01884	1.2
199.00398	0.8
200.01102	1.1
201.01918	4.7
213.01921	0.6
216.00624	0.7
217.01392	1.4
226.99873	1.8
228.00684	0.9
229.01414	6.5
230.01808	0.7
240.00745	0.3
244.00188	1.0
245.00925	4.4
254.99205	0.4
257.01028	2.3
273.00351	0.8
282.98914	0.3
283.99698	7.9
285.00076	0.5
299.99197	5.8
300.99957	100.0
301.06635	2.2
301.56650	0.4
302.00284	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	300.9997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10767	0.3
63.49011	0.2
67.08315	0.3
69.42523	2.0
69.42923	0.6
117.03387	0.6
117.91484	0.3
129.03372	0.9
133.02933	0.3
136.69937	0.2
145.02882	2.9
147.04483	0.5
157.02901	1.2
161.02422	0.6
163.03969	0.7
173.02405	3.5
185.02423	4.2
189.01891	0.8
191.03346	0.3
199.00423	0.6
200.01082	0.8
201.01866	3.3
213.01831	0.4
216.00690	0.6
217.01434	1.0
226.99889	1.0
228.00642	0.9
229.01416	5.1
230.01701	0.4
244.00011	0.5
245.00925	2.8
246.01334	0.3
254.99280	0.4
257.00961	2.4
258.01245	0.3
283.99649	5.1
285.00140	0.4
299.99194	5.0
300.99957	100.0
301.97003	0.5
302.00314	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	300.9996
Annotation	Unknow
Peak:m/z	Relative Intensity
83.42766	0.4
111.65316	0.4
129.03407	1.1
131.75108	0.4
133.02914	0.5
145.02892	3.1
147.04416	0.7
157.02896	1.5
161.02422	0.6
163.04027	1.0
173.02354	3.1
185.02429	4.6
189.01884	1.4
200.01144	0.8
201.01956	4.2
217.01471	1.4
226.99881	1.7
228.00645	0.9
229.01376	5.2
230.01645	0.6
244.00255	0.6
245.00931	3.8
254.03366	0.5
257.00967	2.4
273.00348	0.5
283.99750	6.7
285.00113	0.5
299.99197	4.9
300.99960	100.0
302.00311	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	297.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46495	1.1
55.01762	1.1
57.03331	1.9
58.00476	4.3
59.01266	100.0
60.01587	1.0
62.79913	0.9
71.01274	59.4
71.58107	1.1
72.99192	5.4
73.02839	9.7
75.00779	6.8
83.01283	2.9
85.02849	14.8
87.00757	4.7
89.02343	68.8
89.89593	0.8
90.02661	1.6
95.01279	3.9
95.24908	0.9
96.95916	2.4
99.00802	4.7
99.04424	1.0
101.02353	40.7
103.03955	1.3
105.01842	10.1
113.02354	25.1
114.77029	1.0
117.01852	3.3
117.05495	2.2
119.03429	29.1
121.02951	1.0
125.02363	3.7
131.03421	3.6
135.02882	1.7
135.06567	25.2
143.03462	7.4
149.04504	1.9
159.02914	2.0
161.04507	17.3
162.04968	0.9
169.01381	3.0
179.05591	23.3
237.06122	3.4
237.09834	9.9
297.08365	29.5
297.11975	55.5
297.24399	10.2
298.08957	1.3
298.12305	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1868
Annotation	5,6-Dehydrosugiol
Peak:m/z	Relative Intensity
50.17788	0.1
57.03316	0.2
59.01265	3.9
59.37077	0.1
70.21820	0.5
71.01272	0.9
73.02821	0.3
79.95625	0.3
83.01270	0.2
85.02833	0.2
85.06451	0.2
89.02336	1.1
91.94296	0.1
97.06496	1.5
101.02359	1.0
103.60059	0.1
109.74966	0.1
113.02331	0.4
119.03421	0.4
119.04960	0.2
121.92838	0.1
135.06537	0.5
144.95667	0.1
161.04466	0.3
170.00337	0.2
183.01180	9.1
184.01958	0.8
197.09715	0.3
198.03401	0.1
199.11259	4.5
211.11356	0.2
216.00882	0.3
237.09827	0.9
267.13901	1.1
281.15482	1.0
282.15958	0.1
295.17059	0.4
297.15344	18.0
297.18591	100.0
298.15628	1.6
298.18930	8.3
298.24176	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14083	0.7
57.03329	1.4
58.00472	3.7
59.01268	62.6
60.88060	0.8
62.99875	0.7
66.25706	0.8
71.01271	46.0
71.85491	0.8
72.99192	3.5
73.02854	1.2
83.01274	1.6
85.02853	7.0
87.00773	1.6
89.02341	61.6
95.01324	2.1
98.19805	3.1
99.00780	0.8
101.01692	1.6
101.02354	30.4
102.02707	1.3
109.21594	0.8
113.02361	19.8
117.03379	6.3
119.03436	27.8
119.04934	31.3
120.05284	1.3
121.02859	1.8
123.03187	7.7
124.28378	0.8
131.03418	1.2
137.05998	2.3
138.05545	100.0
143.03427	3.2
145.02893	31.4
149.04492	1.5
161.04482	2.3
162.03148	1.1
179.05571	2.8
180.06578	2.4
185.96841	0.9
229.77570	1.0
299.11316	3.5
299.16595	47.8
299.25912	2.3
300.10989	7.9
300.16837	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	300.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00232	0.6
59.01252	2.7
67.01757	0.2
67.60901	0.3
68.01298	2.3
70.02821	0.3
70.48090	1.0
71.01273	0.9
72.99207	0.6
89.02345	0.5
95.04942	0.3
109.10741	0.3
110.05952	0.3
111.41579	0.3
113.50270	0.3
115.52458	0.3
117.03326	0.4
122.02396	0.9
123.03181	5.0
124.03986	0.3
124.07606	0.6
124.86581	0.3
125.02383	0.7
136.07619	0.6
137.04770	0.8
138.05545	100.0
139.00281	0.3
139.03999	0.4
139.05878	2.7
145.02896	1.8
146.03221	1.0
151.00253	0.5
152.07115	1.6
163.03900	0.4
166.08763	0.5
167.05841	2.0
168.06601	0.5
169.01328	0.5
180.06636	5.6
201.01901	0.5
210.07602	0.6
229.01309	0.5
245.00934	0.3
283.99722	0.6
299.99240	2.5
300.10959	16.9
300.16714	6.0
300.99969	12.0
301.03421	0.7
301.07605	0.3
301.11282	1.2
301.16919	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	4.0
60.01600	0.5
64.30846	0.2
68.01302	0.7
70.95247	0.6
71.01270	2.1
72.01627	0.3
72.99192	0.3
85.02833	0.3
89.02343	2.4
90.02689	0.5
96.01626	0.3
101.02355	1.0
102.02711	0.4
113.02364	0.6
114.02691	0.3
119.03421	0.9
119.04951	0.8
120.03765	0.3
120.05242	1.1
122.02379	0.7
123.03188	7.8
125.17236	0.2
130.94893	0.2
137.02403	0.3
137.04759	0.6
137.05977	0.2
138.05544	100.0
139.05894	2.9
145.02887	1.2
146.03195	0.8
152.07085	0.7
165.04276	1.0
167.05864	0.7
180.06615	1.9
193.73729	0.2
216.65723	0.2
258.01886	0.3
299.99194	0.3
300.10980	6.9
300.16824	2.6
301.00021	1.0
301.11353	0.3
305.52377	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2286
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03323	0.8
59.01269	6.5
59.52083	0.4
70.74642	1.5
71.01292	1.1
83.36536	0.5
87.99035	0.4
88.34875	0.4
96.60151	0.4
99.08076	0.5
108.56731	0.4
113.02419	0.4
125.09677	1.2
129.07510	0.4
133.04994	0.5
135.00810	0.4
141.12726	1.2
155.10745	0.4
171.10225	30.6
172.10558	1.5
183.10204	2.9
195.14008	0.5
253.08978	0.5
277.21777	40.2
278.22092	4.0
295.22845	100.0
296.23206	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2286
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
54.82411	0.3
57.03332	0.6
59.01267	8.7
71.01268	1.4
71.04906	0.3
71.28773	0.6
73.02798	0.3
83.04912	0.6
85.02863	0.5
87.00791	0.4
89.02348	0.3
91.01789	0.5
94.15833	0.3
99.08070	0.3
101.02371	0.5
108.96182	0.3
113.02333	0.4
113.09638	2.3
133.06499	0.5
135.00807	0.8
161.04472	0.7
177.12914	0.7
179.14372	1.0
181.12286	0.6
195.13889	18.0
196.14268	1.0
235.08173	0.8
253.09332	0.3
277.21783	17.8
278.22125	1.9
295.22858	100.0
296.23199	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	297.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72588	1.6
58.00486	3.1
59.01266	100.0
70.51685	6.6
71.01269	27.2
72.99181	2.2
73.02845	6.2
83.01270	2.6
85.02840	11.6
89.02335	26.9
101.02338	20.3
113.02343	12.1
116.39144	1.8
119.03442	13.8
130.56912	1.7
135.06561	10.8
143.03352	2.1
161.04526	15.2
163.24579	1.7
179.05571	9.4
191.06660	1.7
237.09824	18.9
243.97336	2.1
270.28091	2.1
297.11984	25.7
297.15018	3.9
297.24335	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	297.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	1.6
57.03340	2.0
58.00488	3.2
59.01266	100.0
61.98693	0.8
70.62178	0.8
70.89232	3.0
71.01272	56.6
72.99182	4.4
73.02834	9.1
74.81608	0.9
75.00761	7.8
76.96821	0.9
83.01281	3.2
85.02840	15.7
87.00774	4.7
88.76209	0.8
89.02338	70.3
94.73354	0.8
95.01307	2.7
96.23700	0.8
96.95884	1.3
99.00774	3.4
99.08074	0.8
99.41388	0.9
101.02347	38.3
103.03910	1.0
105.01858	5.7
107.68737	1.0
113.02354	23.7
117.01867	2.1
117.05495	1.5
119.03424	25.4
121.02808	0.8
125.02351	2.7
131.03400	3.0
135.06560	23.0
136.41823	0.9
143.03426	5.8
149.04497	1.6
150.07039	0.9
159.02902	1.2
161.04523	15.9
161.48807	0.8
168.07814	0.8
169.01358	2.0
179.05588	19.3
237.06142	3.2
237.09819	6.7
262.23169	1.2
279.40704	0.9
297.04321	1.4
297.08356	26.9
297.11972	47.0
297.24384	8.3
298.08896	2.0
298.12350	2.2
305.42053	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.1
59.01265	5.4
61.72390	0.6
65.00208	0.8
68.99705	0.9
71.01268	3.0
71.56833	1.0
73.02863	0.9
87.50799	0.6
89.02320	2.2
95.01276	1.4
96.95882	0.6
101.02322	1.1
123.08070	1.1
125.09624	4.0
131.03430	1.6
131.07095	0.7
141.12836	1.1
148.98798	0.9
149.09688	1.8
161.04507	2.0
165.72256	0.6
171.10188	0.8
176.98331	0.9
185.11778	10.2
197.11830	2.5
220.14676	2.6
221.15471	4.4
236.10571	2.7
240.18291	0.6
249.02951	0.7
249.22318	1.3
264.96207	1.5
275.20407	1.4
292.99335	0.9
293.08844	3.4
293.21295	100.0
294.21567	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	293.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26228	0.3
53.38999	0.3
57.03330	0.8
59.01260	2.8
59.27542	0.3
65.00203	0.8
69.03322	0.5
69.35018	3.1
71.01274	1.7
72.99231	0.7
77.87313	0.4
81.33653	0.3
83.04910	0.9
84.00655	0.3
85.02853	0.6
85.06492	0.4
86.81974	0.3
87.00737	0.3
88.41187	0.3
88.95921	0.3
89.02335	1.9
89.69916	0.3
95.01287	0.7
95.04971	0.4
96.35061	0.3
96.95892	0.7
98.19762	0.6
99.08044	0.5
101.02335	0.5
113.02364	0.4
113.09615	0.4
123.08055	0.3
125.02309	0.3
125.09650	0.6
131.03424	0.8
139.11221	3.3
153.12854	1.6
161.04465	1.1
167.14395	0.4
188.28629	0.3
191.18007	3.6
192.11572	0.5
193.15979	0.4
220.14731	0.9
221.15471	1.9
224.14166	0.5
229.19624	0.6
229.51414	0.3
236.10512	1.8
245.19122	0.6
247.20679	2.8
264.96335	0.8
275.20203	0.6
281.73328	0.3
291.19943	0.4
293.08847	2.6
293.21301	100.0
294.21613	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71058	0.5
57.03328	1.5
58.18496	0.5
59.01270	11.5
62.99082	0.5
71.01268	1.1
72.99181	4.0
79.95650	1.7
85.02844	1.1
96.95914	100.0
97.95824	0.6
98.20665	1.0
101.02348	0.5
119.04913	1.3
149.04523	0.6
151.11259	0.5
161.04573	0.5
163.03934	2.1
169.12245	0.5
197.11862	0.9
215.12874	21.7
216.13295	0.9
221.08553	6.0
229.28677	0.8
233.08513	1.8
235.08167	1.0
251.09659	0.9
277.07559	0.7
295.08630	76.0
296.08948	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	293.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.8
59.01261	14.1
61.98717	1.6
63.38857	0.9
65.00204	1.5
70.76222	2.9
71.01275	6.9
71.04897	4.6
73.02848	1.5
77.77225	1.0
85.02821	1.2
87.04392	1.4
89.02319	5.8
92.99689	0.9
95.01277	1.6
96.95958	1.3
101.02317	2.2
101.44305	1.1
113.02338	1.5
113.09637	1.7
125.02421	1.4
131.03395	2.6
143.03442	1.1
161.04482	2.8
163.78574	1.0
176.98315	1.8
193.15941	1.8
205.12390	1.0
211.00856	1.1
220.14650	2.9
221.15434	8.4
223.17010	5.1
231.21146	2.9
235.17058	39.5
236.10622	5.9
236.17281	2.1
264.96295	2.7
273.22922	1.1
275.20224	33.7
276.20578	2.5
293.08945	54.7
293.21283	100.0
294.09143	5.3
294.21628	9.6
311.09882	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62090	0.7
57.03342	4.1
57.82061	0.6
59.01265	9.3
61.98706	0.8
66.07404	0.7
71.01263	3.8
74.13998	0.7
85.02832	1.1
88.65354	0.7
89.02327	3.1
95.01286	1.7
96.95967	1.0
97.02832	0.9
113.02413	0.9
113.09645	11.5
121.10149	12.5
122.10450	0.9
125.09651	1.9
131.03392	1.4
139.11209	1.2
149.09645	1.1
161.04477	0.9
167.10757	0.9
171.10226	33.9
172.10606	1.6
176.98262	1.1
179.10826	1.0
183.10187	1.3
185.11784	2.9
195.13881	2.2
197.11821	1.8
220.14693	2.1
221.15439	2.5
229.60222	1.0
231.21184	3.2
236.10564	3.2
249.22313	1.3
264.96317	1.1
275.20215	40.4
276.20450	4.5
293.09015	4.5
293.21298	100.0
294.21628	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	293.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31509	0.8
59.01254	3.4
65.60200	0.9
69.28488	8.8
71.01244	1.1
75.40862	0.8
85.20202	0.7
92.58067	0.8
98.19765	2.0
121.10156	34.8
125.09620	2.0
127.11303	1.1
149.09691	1.0
160.70235	0.8
171.10228	63.4
172.10571	2.3
185.11768	3.5
231.21227	4.6
275.20218	100.0
276.20605	8.3
293.08792	1.2
293.21295	65.1
294.21597	5.5
310.45255	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09321	0.5
57.03333	0.7
59.01269	3.0
60.47045	0.5
61.05669	0.5
66.64924	0.5
69.03364	0.6
71.01270	1.5
71.38384	1.1
89.02341	1.0
113.09634	1.0
124.20022	0.5
140.82986	0.5
149.09859	0.5
165.27235	0.5
167.10779	0.6
171.10239	0.7
175.16493	0.5
179.14334	1.1
194.73338	0.5
195.13887	13.8
196.14461	1.5
205.12270	1.2
211.13509	0.5
214.27773	0.6
216.03741	0.6
220.14621	0.5
223.11362	0.9
223.13380	10.7
224.13905	0.9
228.13641	0.9
231.21283	0.5
256.13181	4.2
275.20200	8.3
278.23071	0.7
293.21289	100.0
294.21616	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	293.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	0.7
62.85392	0.2
65.00194	0.2
67.12466	0.2
69.71938	1.1
71.01270	8.3
77.42773	0.2
79.91902	0.2
89.02349	0.3
95.01295	0.3
100.62317	0.2
127.07567	1.0
127.30708	0.2
148.05237	1.1
150.70253	0.2
151.07571	0.6
161.04454	0.3
164.08377	1.2
171.61008	0.2
177.09178	4.7
178.09430	0.3
190.09998	0.5
191.10719	0.2
192.11526	6.0
193.12123	0.6
203.07024	0.2
205.12331	6.0
206.12642	0.4
207.13905	1.7
217.08702	0.4
218.09462	2.0
220.14694	48.6
221.15457	100.0
222.15804	7.7
222.17992	0.4
235.13426	1.2
236.10553	71.9
237.10936	5.3
253.14607	0.3
264.96228	0.3
293.08899	0.5
293.17664	11.8
293.20773	0.4
294.17892	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.18
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66528	0.2
59.01273	1.2
65.00214	0.3
68.99689	0.3
70.86172	0.7
71.01262	0.8
75.64584	0.3
78.64716	0.3
79.95612	1.9
83.00584	0.2
83.01228	0.2
83.98755	0.2
85.02856	0.3
89.02338	0.8
95.01297	0.3
95.95141	0.4
96.95913	100.0
97.95797	0.2
127.98521	0.3
131.03397	0.5
161.04459	0.3
213.91721	0.2
220.14542	0.4
221.15480	1.1
236.10574	1.0
264.96198	0.3
284.46375	0.3
293.09265	1.5
293.17990	84.2
294.18311	6.3
294.20953	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01548	0.8
55.01771	1.0
57.03333	1.9
58.00471	2.5
59.01264	64.2
59.50600	1.0
61.83881	1.0
67.79804	1.0
69.44855	0.9
71.01270	30.9
71.09782	2.7
72.01649	1.2
72.99194	2.8
73.02850	2.2
73.72887	0.9
79.85149	1.0
83.01270	1.9
85.02843	9.0
85.06478	22.3
87.00787	2.5
89.02335	32.6
91.00515	0.9
95.01289	2.3
95.16518	0.9
98.20036	1.4
99.08069	1.0
101.02349	23.8
113.02363	10.6
113.06021	5.6
115.07542	3.6
119.03429	10.7
127.07579	2.4
131.07066	100.0
132.07431	2.9
160.48619	1.1
166.65112	0.9
173.08138	1.8
206.20364	1.2
219.99883	1.3
228.35861	1.1
237.20134	0.9
243.14372	0.9
249.03146	1.4
293.12488	96.2
294.12805	6.2
312.43521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1927
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
57.31731	0.6
58.02849	0.9
59.01271	7.8
64.36776	0.6
65.00214	0.7
71.01273	2.1
78.99813	0.6
79.08096	0.5
79.95638	0.7
89.02344	1.8
92.99674	0.6
95.01292	1.2
98.19732	1.3
101.02334	0.6
119.05003	0.6
131.03441	1.2
148.98787	1.4
156.13892	100.0
157.14220	2.8
161.04543	1.2
175.04079	0.7
197.19357	0.6
200.12877	5.6
220.14716	2.6
221.15512	4.7
233.10350	1.6
236.10596	4.2
247.02315	0.6
248.02901	4.4
264.96338	1.6
275.20352	0.6
292.01706	0.8
292.19498	1.7
293.08887	2.6
293.17828	4.3
293.21323	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49451	1.3
54.22295	1.3
55.01764	3.3
57.03347	2.6
58.00466	3.9
59.01264	91.5
60.01583	1.5
61.16948	1.3
69.03352	1.8
71.01269	74.9
71.21387	3.0
72.99192	6.2
73.02833	51.4
83.01276	7.2
85.02844	24.8
87.00773	6.1
89.02338	40.3
95.01284	6.5
97.02864	2.0
99.00773	6.4
101.02350	38.8
103.03922	11.8
112.98543	1.3
113.02358	27.9
119.03407	18.8
120.99609	1.4
127.00269	3.4
131.03427	79.1
143.03453	2.4
159.02937	3.3
161.04506	16.4
173.04471	1.8
189.74026	1.6
196.16293	1.3
234.81078	1.3
235.75641	1.5
293.08871	100.0
294.09131	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	291.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.9
59.01257	1.1
59.47133	0.4
64.65436	0.4
71.20412	0.7
80.33965	0.4
88.66627	0.3
91.35708	0.3
93.07005	1.3
97.06482	1.5
104.24426	0.5
121.02852	0.7
121.10152	14.4
122.10471	0.8
123.08072	1.1
125.09653	8.3
126.09998	0.4
141.12744	0.9
141.77069	0.4
145.02827	0.5
146.14735	0.4
147.08076	1.2
163.03918	0.5
173.02507	0.5
175.03972	1.1
185.11795	14.0
186.12155	0.9
191.03465	1.2
197.11836	3.2
203.03558	0.7
209.11810	1.4
211.13382	1.3
219.03123	0.6
223.13345	0.6
247.02519	7.7
247.20700	1.1
248.02853	0.8
273.18585	1.8
289.17969	0.4
290.98346	0.5
291.01535	1.3
291.19727	100.0
292.20047	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	291.1975
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
54.68963	0.2
59.01257	0.8
61.98703	0.3
71.58546	0.3
73.02837	57.8
74.03175	0.7
93.03355	0.3
94.74644	0.2
106.70124	0.3
119.04932	0.5
121.02870	0.7
136.07120	0.2
143.39198	0.2
145.02892	0.4
147.04398	0.3
163.03889	0.3
172.29590	0.3
173.02229	0.3
175.03935	1.1
190.02641	0.4
191.03491	1.2
203.03520	0.7
209.04535	0.4
218.99261	0.3
219.02899	0.5
235.35863	0.3
236.88513	0.3
246.98709	0.4
247.02504	7.4
248.02745	0.7
291.01447	1.8
291.19736	100.0
292.20081	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	291.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34109	0.3
50.46194	0.2
59.01259	1.0
62.61566	0.2
71.01253	0.3
71.27425	0.6
79.60919	0.3
88.39599	0.3
95.20245	0.3
96.70565	0.3
97.06476	0.5
108.14253	0.3
114.02632	0.3
119.04930	0.7
121.02890	0.3
125.05996	0.3
125.91641	0.3
147.04436	0.5
148.08885	1.3
149.09612	0.3
150.10445	1.4
151.11198	0.4
160.39079	0.3
163.11220	1.1
165.12802	21.1
166.13150	1.1
175.04004	0.9
175.11290	0.5
176.12012	0.5
177.12764	0.6
179.14345	0.3
191.03488	0.9
191.14471	0.6
203.03490	0.6
217.16003	0.7
219.02965	0.6
245.19305	0.3
247.02501	7.4
247.20724	10.4
248.02803	0.8
248.20964	0.8
252.29189	0.2
273.18686	5.4
274.18961	0.6
274.72302	0.3
276.77386	0.3
290.98074	0.4
291.01508	1.1
291.19730	100.0
292.20087	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	291.0155
Annotation	Unknow
Peak:m/z	Relative Intensity
64.71072	0.2
69.03882	0.2
74.68683	0.2
81.93674	0.2
89.29350	0.2
98.49317	0.3
105.03352	0.4
107.05016	0.2
111.00502	0.2
117.03348	0.3
119.04947	1.2
121.02808	0.3
131.04958	0.3
135.04456	0.8
145.02890	2.0
147.04466	3.3
149.02376	0.3
157.80582	0.2
159.04433	0.4
161.02292	0.4
163.03955	2.6
173.02388	3.3
174.02998	0.6
175.03972	3.4
177.01880	0.3
189.01872	0.3
190.02669	2.1
191.03474	13.0
192.00671	0.5
192.03786	0.8
201.01878	0.9
203.03477	1.5
218.02177	0.7
219.03011	6.1
229.01512	0.5
246.01740	0.4
247.02516	100.0
248.02856	6.6
291.01547	11.1
291.07736	0.5
292.02029	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0154
Annotation	Unknow
Peak:m/z	Relative Intensity
72.38074	0.4
79.87614	0.4
82.85121	0.4
91.05447	1.5
98.19779	1.2
99.08474	0.4
103.05440	1.9
105.03370	9.5
107.04891	0.6
115.05469	1.0
115.45303	0.4
117.03402	0.7
119.04948	8.4
121.02856	1.0
121.06448	0.5
129.03378	0.4
130.04121	1.3
131.04945	5.1
132.02089	0.8
133.02859	1.6
135.04562	0.5
145.02872	2.2
146.03665	0.5
147.04454	19.0
148.04756	0.9
149.02380	0.9
157.02844	0.6
158.03690	3.9
159.04471	9.6
160.01654	0.8
161.02368	1.6
163.04013	1.0
173.02432	1.9
174.03169	1.4
175.03964	100.0
176.01213	0.5
176.04285	5.2
177.05536	6.4
185.02394	0.8
189.01901	0.5
190.02742	0.6
191.03459	5.4
201.01987	0.9
202.02769	0.7
203.03487	66.8
204.03815	3.5
219.03035	1.8
221.04550	10.8
222.05057	0.5
229.78415	0.5
229.80553	0.5
231.92694	0.4
245.00966	0.6
247.02504	93.8
248.02858	6.8
273.00491	1.4
291.01538	29.9
292.01834	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	291.0154
Annotation	Phyllanthusiin E
Peak:m/z	Relative Intensity
54.86946	0.4
69.62672	3.4
71.11960	0.4
71.44843	0.4
98.19748	0.4
98.20339	1.4
105.03350	0.7
119.04930	1.6
121.02942	0.5
131.07008	0.5
137.72496	0.5
145.02917	2.5
147.04494	3.8
157.01671	0.5
157.62920	0.4
159.04395	0.6
163.03943	2.1
173.02400	3.5
174.03067	0.5
175.03973	4.8
188.88406	0.5
190.02686	2.7
191.03476	14.2
192.03799	0.5
203.03447	2.8
205.01495	0.7
218.96394	0.5
219.03012	6.4
226.17154	0.4
246.01625	0.9
247.02513	100.0
248.02841	5.5
287.12411	0.4
291.01547	7.8
292.01788	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47641	0.3
58.76797	0.3
60.06926	0.3
71.34983	0.8
83.28622	0.3
91.05415	0.4
93.03359	0.4
95.01275	0.4
103.05413	0.6
105.03365	2.5
110.38117	0.3
117.03358	0.5
119.04953	4.0
121.02837	0.5
131.04939	1.3
133.02876	0.8
135.04433	1.1
143.26273	0.4
145.02892	3.4
147.04462	8.2
149.02425	0.6
158.03629	0.9
159.04451	1.8
161.02316	0.6
163.03967	2.9
173.02431	4.2
174.03094	0.9
175.03970	18.1
176.04288	0.7
177.01913	0.6
177.05499	1.5
189.01889	0.5
190.02689	3.7
191.03485	15.9
192.03795	0.8
201.01996	1.2
203.03485	10.5
204.00674	0.3
204.03783	0.4
205.01401	0.5
215.42566	0.3
217.01431	0.4
218.02159	0.7
219.03023	5.4
221.04620	1.8
229.01564	0.5
245.00967	0.5
246.01720	0.8
247.02522	100.0
248.02846	4.7
248.10469	0.3
248.48357	0.3
291.01556	18.5
292.02017	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	4.3
59.01249	0.9
64.15342	0.3
64.34444	0.3
67.01807	0.4
69.03338	0.8
71.17191	1.0
80.02573	0.9
81.03357	5.1
83.01279	5.6
93.03371	2.3
95.01291	1.3
95.04927	6.3
97.02856	10.7
107.04928	0.4
108.02081	2.0
109.02867	41.4
110.03196	1.3
111.04441	0.6
117.03351	0.6
119.04977	0.4
121.02059	0.6
121.02879	5.9
122.03702	1.7
123.04446	28.4
124.01588	0.4
124.04800	0.8
125.02373	23.7
126.02728	0.9
133.02914	0.5
133.06500	0.4
135.04445	2.6
137.02377	13.4
138.03209	1.7
139.03946	5.9
143.04843	0.4
145.02876	1.6
146.03658	1.5
147.04483	0.9
149.02402	5.7
149.06001	0.5
150.03200	1.9
151.03957	14.7
152.04292	0.4
157.06512	0.4
159.04462	4.6
160.05266	2.3
161.02380	2.1
161.06044	7.7
162.03220	2.1
162.06422	0.7
163.04016	1.6
164.01103	4.8
165.01881	5.7
166.02664	0.7
167.03442	3.1
173.06084	1.6
173.80836	0.3
174.03169	0.9
175.03992	3.4
175.07578	2.3
177.05511	1.1
179.03467	8.2
180.03992	0.5
185.06027	1.5
186.06804	0.4
187.03970	6.7
188.04765	5.7
189.01927	0.5
199.07643	1.1
201.05519	1.2
202.06348	3.2
203.07127	18.5
204.07462	0.9
205.05054	13.2
206.05389	0.5
211.03783	0.6
212.04732	0.8
217.04980	0.4
217.08775	0.4
221.08214	5.7
227.07198	3.1
229.04988	0.7
230.05872	0.7
231.02971	1.2
245.08240	27.7
246.08607	2.2
247.06133	1.2
271.06229	1.1
289.07260	100.0
290.07620	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	289.0726
Annotation	(+)-Catechin hydrate
Peak:m/z	Relative Intensity
55.01781	0.2
57.03337	4.4
59.01264	0.4
65.43431	0.2
67.01764	0.3
68.65948	0.3
69.03340	0.9
69.45995	2.1
80.02571	0.6
81.03349	4.5
83.01271	4.6
85.02833	0.3
91.01865	0.2
93.03349	2.4
95.01280	1.4
95.04926	6.2
96.73721	0.2
97.02854	10.9
98.19794	0.3
99.04432	0.7
107.04894	0.5
108.02061	1.5
109.02863	39.1
110.03188	1.5
111.04429	0.6
115.05502	0.2
117.03364	0.6
119.04882	0.3
121.02871	4.7
122.03632	1.8
123.04442	27.1
124.01637	0.4
124.04787	0.9
125.02370	24.5
126.02721	0.6
131.04961	0.4
133.02873	0.5
133.06560	0.3
135.04446	2.7
135.96909	0.2
137.02379	13.9
138.03246	1.7
139.03943	5.4
143.04929	0.6
145.02893	2.3
146.03687	2.0
147.04420	1.2
148.01413	0.3
149.02380	5.7
149.06055	0.4
150.03191	1.9
151.03946	14.5
152.04288	0.6
154.02588	0.5
157.06493	0.4
158.03667	0.4
159.04454	4.3
160.05275	2.3
161.02377	1.7
161.06035	7.3
162.03198	2.1
162.06323	0.5
163.03976	1.8
164.01099	4.7
165.01891	5.6
166.02560	0.7
167.03430	2.2
170.26254	0.2
170.27742	0.2
173.02383	0.3
173.05995	1.4
174.03174	0.7
174.06781	0.4
175.03996	2.7
175.07600	3.1
177.05501	0.9
179.03459	9.2
180.03761	0.5
181.06430	0.3
184.05295	0.2
185.06030	1.2
186.06808	0.5
187.03975	6.3
188.04741	5.2
189.01944	0.2
189.05141	0.3
199.07620	0.9
201.01878	0.3
201.05583	1.1
201.09134	0.3
202.06323	2.4
203.03731	0.6
203.07120	16.9
204.07449	1.1
205.05060	11.9
205.06610	0.3
205.07022	0.4
206.05402	0.7
212.04752	0.9
217.05064	0.6
217.08673	0.8
221.08192	5.3
222.08617	0.4
227.07117	2.9
228.07524	0.3
229.05020	0.6
230.05882	1.2
231.02986	0.9
245.08220	28.3
246.08517	2.1
247.06171	1.5
271.06174	1.4
289.07242	100.0
290.07590	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0727
Annotation	(-)-Epicatechin
Peak:m/z	Relative Intensity
57.03324	3.8
59.01255	1.8
67.21312	0.6
68.53234	0.6
69.94249	3.0
76.82014	0.7
78.22041	0.6
81.03344	4.1
83.01282	5.2
83.40963	0.6
93.03354	2.1
95.01280	1.1
95.04910	6.9
97.02855	11.7
98.19817	0.7
99.04410	0.8
105.03339	0.8
108.02128	1.3
108.58504	0.6
109.02863	37.4
110.03188	1.1
121.02858	4.9
122.03625	1.8
123.04438	26.7
125.02367	25.0
129.28761	0.7
134.13803	0.6
135.04451	2.2
137.02377	11.6
138.03148	1.3
139.03941	6.3
145.02901	2.2
146.03670	2.4
147.04434	0.7
149.02408	5.7
150.03175	1.6
151.02812	1.0
151.03949	13.1
157.06628	0.7
158.65324	0.6
159.04442	4.8
160.05193	2.4
161.02399	2.2
161.06020	6.1
162.03195	2.4
163.03940	2.0
164.01076	4.7
165.01862	4.5
166.02664	0.6
167.03456	2.6
173.06000	2.1
174.03252	1.0
175.03951	2.9
175.07582	2.9
177.05486	0.9
179.03447	8.9
185.06036	1.1
187.03951	5.8
188.04779	4.9
199.07584	1.0
201.05519	0.9
202.06371	3.3
203.07114	16.4
204.07405	1.3
205.05057	10.8
212.04849	0.9
217.01527	0.7
217.08449	0.6
221.08182	5.8
227.07124	3.1
230.05885	0.8
231.02969	0.8
245.08220	28.6
246.08531	1.5
247.06102	1.3
261.00375	1.2
270.37201	0.6
271.06052	1.8
289.00253	2.0
289.07245	100.0
290.07562	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	289.0726
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
57.03337	8.9
58.20567	0.8
69.03328	2.0
80.02572	1.6
81.03358	9.7
83.01286	9.1
85.34708	0.8
91.05462	0.7
93.03353	4.5
95.01297	2.9
95.04934	13.0
97.02856	23.8
98.03183	1.0
99.04393	1.3
103.72252	0.8
108.02115	3.3
109.02866	85.9
110.03216	2.4
117.03359	1.8
119.00716	0.7
121.02888	10.3
122.03673	5.9
122.59762	0.7
123.00744	1.2
123.04449	53.8
124.01532	1.3
124.04761	2.0
125.02376	48.5
126.02713	1.2
135.04474	5.8
137.02379	29.9
138.03131	3.2
139.03951	12.2
142.17542	1.0
145.02899	4.2
146.03668	3.4
147.04463	1.4
149.02386	14.4
150.03191	4.2
151.03952	31.1
152.04301	1.0
157.06535	2.7
157.97588	0.8
159.04454	10.7
160.05247	5.8
161.02373	3.2
161.06038	16.9
162.03171	5.5
163.03967	4.6
164.01099	10.3
165.01901	11.8
166.02660	1.7
167.03444	4.5
173.05981	2.9
174.03111	1.7
175.03958	6.3
175.07585	6.9
177.05504	3.0
178.28198	0.9
179.03455	12.3
184.05255	1.1
185.06039	3.8
187.03978	13.7
188.04762	11.7
199.07654	2.2
201.05557	3.0
202.06325	4.9
203.07135	37.9
204.07466	1.4
205.05046	21.4
206.05457	1.5
212.04849	2.2
217.08679	1.6
221.08223	14.2
227.07175	5.1
229.04942	1.4
229.21289	1.1
230.05823	2.2
245.08215	35.7
246.08490	2.4
247.06133	3.0
271.06155	1.8
289.07257	100.0
290.07614	11.0
306.11819	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63965	0.3
59.01277	0.7
61.91648	0.3
64.31939	0.3
69.51350	2.7
71.01273	1.2
73.02853	0.3
78.95798	4.7
81.03365	0.5
85.02845	6.7
87.00785	1.1
93.03364	1.9
96.95932	4.4
96.96865	14.1
99.00777	0.5
109.02869	0.7
111.04430	0.9
113.02321	0.3
115.00288	0.3
118.75156	0.3
120.33054	0.3
120.99551	0.6
125.02343	0.3
127.03934	2.0
128.03481	0.4
132.95242	0.3
142.99773	2.0
171.02985	0.3
173.00874	1.7
173.04501	0.6
191.05588	100.0
192.05959	3.6
236.77806	0.3
245.00868	0.4
259.38727	0.4
289.03519	0.8
289.06680	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0727
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
57.03330	5.3
57.43936	0.7
69.03345	1.6
69.51160	3.9
69.51584	3.2
80.02610	0.9
80.33538	0.7
81.03352	6.5
83.01277	6.7
84.78575	0.8
93.03343	2.9
95.01275	1.2
95.04925	8.9
97.02851	13.6
99.04417	1.0
108.02081	2.4
109.02865	55.9
110.03175	1.5
112.01791	0.8
117.03426	1.2
121.02873	7.3
122.03657	2.3
123.04446	36.7
125.02374	33.5
126.02728	1.9
135.04439	3.4
137.01382	1.4
137.02376	19.4
138.03088	1.8
139.03944	7.7
145.02882	3.7
146.03625	2.3
149.02386	8.8
150.03127	2.3
151.03957	20.1
152.04257	1.1
157.06624	0.8
159.04477	5.3
160.05252	3.7
161.02426	3.0
161.06050	10.6
162.03137	3.5
163.03928	2.9
164.01093	7.1
165.01907	7.6
166.02704	1.5
167.03476	3.3
173.06100	1.9
174.03265	1.3
174.24109	0.8
175.04002	4.0
175.07637	4.6
177.05515	1.3
179.03494	10.1
185.06024	2.2
187.03973	9.5
188.04759	6.7
189.01917	3.4
190.02716	7.8
195.47740	0.8
199.07610	1.5
201.05566	2.0
202.06306	4.2
203.07124	24.3
204.07521	1.4
205.05042	15.4
212.04732	1.1
217.01440	9.0
217.08791	1.6
218.02180	5.6
221.08185	8.4
227.07172	4.1
230.05849	1.7
231.03084	1.4
245.00969	6.1
245.08234	33.4
245.10756	1.9
246.01750	15.7
246.08559	3.1
247.06163	2.4
278.00772	1.9
289.07263	100.0
290.07620	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	288.9879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	2.2
70.11236	3.8
71.01276	0.9
76.61961	0.8
78.95794	10.9
79.95636	1.9
85.02805	1.0
85.79504	0.8
93.03397	1.1
96.95918	100.0
96.96847	27.0
98.19862	1.3
112.53477	1.0
127.03889	0.8
128.03357	0.9
138.06760	0.8
142.99834	5.5
153.78786	0.8
173.00874	6.3
191.05585	21.7
217.50748	0.8
304.71353	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.9973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.3
64.06969	0.4
68.90017	0.4
70.89072	0.8
70.89424	1.0
71.01270	1.5
72.31694	0.4
73.02850	0.6
77.25136	0.4
78.95795	16.8
85.02847	6.2
87.00769	1.2
93.03336	2.3
96.95914	23.5
96.96864	49.6
99.00774	0.8
109.02924	0.5
111.04445	0.9
111.45789	0.4
112.98707	0.8
127.03951	1.7
142.99802	9.3
143.37560	0.4
166.67130	0.6
173.00856	14.2
191.05585	100.0
192.05960	2.1
243.55177	0.4
270.98669	1.6
289.03320	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.8
63.03866	0.4
69.66647	3.5
78.95794	2.3
85.02844	7.3
87.00781	1.2
93.03358	2.2
96.95936	4.6
96.96848	4.8
109.02899	1.0
111.04422	0.9
114.39651	0.6
127.03939	1.9
128.13876	0.5
141.92842	0.5
141.98938	0.5
145.60799	0.5
171.03018	0.6
173.04590	1.1
176.62518	0.5
179.98865	0.5
191.05589	100.0
192.05952	3.2
197.71313	0.5
255.76837	0.5
288.42337	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.057
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
57.03338	0.8
59.01268	0.4
63.02298	3.0
65.00215	12.1
65.84184	0.3
69.68956	0.3
72.47591	0.3
77.60409	0.3
80.42958	0.3
83.01280	5.7
83.01765	0.4
95.01278	0.4
98.02419	0.4
107.01301	16.6
107.04983	0.5
108.99258	0.4
109.02855	2.3
119.01250	0.4
125.02361	5.6
133.02856	0.5
134.02782	0.3
134.03603	1.7
135.04453	100.0
136.04770	3.4
137.02394	0.6
145.93277	0.3
147.00838	0.4
151.00313	91.2
152.00656	3.2
157.04863	0.3
159.00818	0.7
159.04478	0.4
161.02367	1.5
165.01852	1.1
169.01370	2.9
172.90054	0.3
177.01901	0.5
214.99901	0.8
230.99278	0.9
269.04633	0.5
270.05045	0.4
286.56143	1.6
286.98532	2.9
287.05698	17.7
287.46533	0.3
288.05978	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2235
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
59.01250	1.1
61.98708	0.4
67.18849	0.2
69.78789	0.2
71.61303	0.2
71.61727	0.3
73.02802	0.3
79.54696	0.2
83.04893	0.2
86.35240	0.2
97.06520	0.3
99.08064	1.5
125.02370	1.7
129.09148	0.9
131.01306	0.3
141.12762	1.7
145.35814	0.2
153.59430	0.3
155.14322	0.6
159.00807	0.5
161.02434	0.3
175.00209	0.2
175.20030	0.2
187.00385	0.4
214.99879	0.7
221.19212	0.2
230.99345	0.8
239.20059	0.3
241.21806	1.1
257.15463	0.4
258.98907	0.3
269.18658	0.4
269.21283	2.9
285.14969	0.3
285.20718	1.7
286.21335	0.3
286.98444	4.2
287.22339	100.0
287.98770	0.4
288.22662	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	288.9879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	2.2
70.11236	3.8
71.01276	0.9
76.61961	0.8
78.95794	10.9
79.95636	1.9
85.02805	1.0
85.79504	0.8
93.03397	1.1
96.95918	100.0
96.96847	27.0
98.19862	1.3
112.53477	1.0
127.03889	0.8
128.03357	0.9
138.06760	0.8
142.99834	5.5
153.78786	0.8
173.00874	6.3
191.05585	21.7
217.50748	0.8
304.71353	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.208
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
57.03331	0.8
59.01268	3.2
61.98713	0.6
62.31957	0.3
62.84198	0.4
71.22262	0.7
71.22612	0.4
78.08131	0.4
78.95805	0.5
83.04900	0.5
85.02856	0.6
123.04443	0.4
127.04009	0.3
149.67830	0.3
152.91708	0.5
160.17699	0.3
166.43077	0.3
186.95541	0.7
203.02232	0.5
203.33636	0.3
221.19109	1.0
223.20673	61.5
224.21022	4.0
241.21800	1.8
267.19708	34.4
268.20056	2.4
285.04230	4.1
285.20773	100.0
285.27084	3.1
286.04507	0.5
286.21170	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	286.2396
Annotation	Prosopinine
Peak:m/z	Relative Intensity
51.00100	0.3
59.01258	1.0
61.98717	1.0
65.21020	0.3
65.49120	0.3
69.70940	0.7
69.71348	1.6
70.02854	0.9
74.06005	1.9
103.03909	0.3
117.03241	0.3
118.05034	1.0
125.02370	1.1
131.01311	0.5
159.00789	0.4
168.51654	0.2
187.05544	0.3
204.00124	0.3
214.99866	0.6
230.99310	0.7
240.23349	2.7
242.21307	1.6
242.24916	0.4
259.94888	0.3
268.22897	0.9
284.22595	0.3
286.04523	0.5
286.23950	100.0
286.98447	2.8
287.16525	0.6
287.24356	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0412
Annotation	Cyanidin
Peak:m/z	Relative Intensity
53.93223	0.2
54.80707	0.2
59.01255	0.6
60.17848	0.2
63.02271	0.9
65.00220	0.7
67.01774	0.3
69.41393	1.6
79.01753	0.2
83.01275	1.1
91.01800	0.4
92.62488	0.2
93.03363	2.8
95.01302	0.3
101.04084	0.2
103.90993	0.2
107.01308	1.5
108.02081	0.5
109.02858	0.9
109.70209	0.2
117.03343	1.0
117.18761	0.1
119.01328	0.3
121.02858	0.3
123.00807	0.4
123.04452	0.4
130.04167	0.3
131.04977	0.3
133.02866	0.5
135.00795	0.6
135.04384	0.2
137.02412	0.8
141.07021	0.2
143.04935	1.3
145.02921	1.0
145.06520	0.2
151.00294	1.9
154.04156	0.8
155.04950	0.6
157.02887	0.4
157.06512	0.7
158.03625	0.4
159.04427	1.4
161.02423	0.8
163.00320	0.7
164.01047	0.5
165.01909	0.3
167.04973	0.6
168.05711	0.3
169.01427	0.3
169.06531	1.2
171.04466	1.4
173.02379	0.5
173.06010	0.3
174.02931	0.2
175.04016	0.2
183.04459	0.4
184.05275	0.5
185.06015	2.1
187.04021	1.7
189.05505	0.3
191.03450	0.2
192.00555	0.3
195.04520	0.3
196.05292	0.3
197.06030	0.3
201.05559	0.6
211.04010	1.4
211.13339	0.6
212.04680	0.3
213.02002	0.2
213.05576	1.2
214.02707	0.8
215.03484	0.7
219.02937	0.4
227.03542	0.9
229.05040	2.0
239.03481	1.5
240.04259	0.4
241.05040	0.4
243.03044	0.5
255.03062	0.7
256.03760	0.3
257.04572	1.0
267.02972	0.3
268.03757	0.5
284.26822	1.2
285.04111	100.0
285.27106	0.3
286.04468	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	285.114
Annotation	Stemanthrene B
Peak:m/z	Relative Intensity
55.82568	0.2
56.59110	0.2
59.01268	1.6
61.98716	0.2
71.09752	0.2
71.10091	0.3
94.56370	0.2
147.47957	0.2
167.79950	0.2
172.05225	1.3
173.05862	0.2
184.08875	0.8
185.06044	1.1
197.06062	0.3
199.11263	3.3
208.08900	1.6
210.06874	0.3
211.07610	2.8
211.13411	1.0
213.05565	0.9
213.09242	0.2
215.07164	0.3
223.07666	0.8
223.11241	2.2
224.08296	0.3
225.05751	0.4
225.09198	6.1
226.09749	1.0
227.10597	0.2
239.07092	0.4
239.10880	1.4
240.07887	0.4
241.08792	1.3
241.12364	4.1
241.14534	0.1
242.12608	0.3
251.07201	0.3
252.07957	2.3
253.05199	0.4
253.08600	0.9
255.10344	2.1
257.11874	0.6
258.08844	0.2
267.06845	0.3
267.10361	0.6
268.07468	11.4
269.07730	1.0
283.09854	1.5
284.26840	0.3
285.04953	1.9
285.11377	100.0
285.27155	1.2
286.11725	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	279.0155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	14.8
65.00203	5.4
65.03843	4.8
71.01275	6.0
71.59758	5.0
77.03844	4.5
89.03864	10.6
93.03357	5.2
96.51032	3.4
105.03381	6.0
107.04939	8.6
109.02858	7.4
111.00849	8.6
117.03397	21.1
119.04959	12.9
121.02859	11.0
123.96982	3.4
133.02901	17.2
135.04474	28.2
137.02350	6.2
145.02861	21.4
147.00745	4.8
147.04425	12.8
148.01611	9.6
149.02373	8.2
151.03914	7.3
161.02406	40.3
163.03996	29.8
165.01813	3.8
173.02385	7.5
179.03453	8.6
183.03105	4.0
189.01924	70.7
190.02338	3.9
191.03526	21.8
192.00629	27.9
193.01385	19.0
205.01434	13.1
207.03003	100.0
217.01448	31.8
233.00925	9.5
235.02504	44.9
261.00455	61.0
262.01004	7.4
279.01501	35.2
279.23312	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	279.2337
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01258	1.0
70.34247	0.2
71.01263	0.4
91.01783	0.2
98.20609	0.2
119.01300	0.2
146.47295	0.2
163.00368	0.3
168.13609	0.2
261.22229	0.5
279.23349	100.0
280.23676	9.2
284.41266	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56678	0.5
57.46255	0.5
70.50106	1.9
78.95796	29.9
95.47780	0.5
96.96861	100.0
98.20487	0.5
103.38078	0.5
108.96942	0.5
199.61861	0.5
232.57127	0.5
284.65714	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2177
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01266	2.4
59.15321	0.1
70.62588	0.5
70.62951	0.2
71.01274	0.5
89.00205	0.4
92.99744	0.2
122.26098	0.1
127.07519	0.4
160.98775	0.4
161.02357	0.2
205.15887	0.3
205.19421	0.2
233.22839	0.3
259.20694	0.7
275.20313	0.4
276.96463	0.2
277.21774	100.0
278.22150	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	277.2179
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01262	1.5
61.56643	0.6
64.98746	0.6
70.51472	2.0
75.33414	0.6
91.03510	0.7
95.20647	0.6
225.68608	0.6
277.21793	100.0
278.22104	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	273.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	1.9
58.89131	0.2
59.01260	0.6
63.02281	0.5
64.65730	0.2
64.92467	0.2
65.00203	2.2
69.03352	0.4
70.35186	0.2
71.61660	0.3
71.73264	0.2
79.05447	0.4
81.03350	24.1
82.03682	0.5
83.01274	7.0
93.03360	10.2
94.03703	0.2
95.01298	0.8
95.04938	0.9
99.04414	0.5
101.92705	0.2
107.01289	2.9
111.04390	0.4
119.04945	20.9
120.05289	0.6
121.02834	0.2
122.03642	0.3
123.04442	43.0
124.01585	0.2
124.04796	1.7
125.02371	12.9
126.02689	0.4
133.02869	0.3
135.04448	1.9
137.02347	0.4
143.04984	0.3
145.02901	0.4
145.06523	0.4
147.04430	0.5
149.02373	1.3
151.00301	5.2
161.02403	0.7
161.06020	0.2
163.07645	0.3
166.02672	0.8
167.03452	100.0
168.03796	4.4
169.06538	0.9
169.39992	0.2
171.04449	0.5
179.03468	8.9
180.03717	0.4
185.06126	0.4
187.07672	1.0
189.01881	0.6
189.05547	4.5
190.05865	0.2
211.07683	0.5
217.01527	0.5
229.05148	0.3
229.08745	1.4
245.01013	1.2
245.04689	0.4
255.06683	1.1
273.00446	2.5
273.07742	74.6
274.08090	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	275.0206
Annotation	5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene
Peak:m/z	Relative Intensity
51.28767	0.4
53.98840	0.4
59.01261	1.1
70.45399	1.5
74.22108	0.4
86.79214	0.4
87.00782	0.5
104.70549	0.4
104.87975	0.4
119.04981	0.4
122.51694	0.4
123.00818	0.4
125.02363	0.5
129.03375	0.6
129.06125	0.4
131.04922	0.6
141.03387	0.7
145.02902	1.1
147.04469	2.5
149.05960	0.5
157.02878	1.0
159.04492	1.2
163.03944	1.5
173.02403	1.9
175.03912	2.6
176.01093	0.4
177.01862	0.6
185.02370	1.6
187.07674	0.8
189.01921	0.7
190.02739	0.5
191.03435	3.1
201.01906	6.7
202.02417	0.7
202.99765	0.5
203.03479	6.5
213.01964	1.1
218.02223	0.8
219.03053	2.9
229.01440	18.9
230.01900	1.6
231.03009	1.7
247.02492	1.4
257.00980	15.0
257.03232	0.3
258.01678	7.6
259.01978	0.5
259.99734	0.5
274.01331	1.1
274.55280	0.5
275.02042	100.0
276.02362	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	271.2286
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
52.47222	0.2
56.54543	0.2
56.66876	0.2
57.70455	0.2
59.01276	0.6
60.20940	0.2
61.98717	0.3
63.02282	0.2
65.00210	0.6
83.01263	0.3
93.03368	0.5
107.01292	0.9
108.02189	0.2
109.02853	0.3
119.04944	2.9
119.47112	0.2
121.02876	0.3
125.02396	0.4
132.72429	0.2
137.02328	0.3
151.00316	2.6
165.01949	0.3
169.01416	0.2
173.08633	0.2
177.01819	0.4
223.20552	0.3
225.18825	0.2
225.22231	3.8
226.22354	0.2
228.23804	0.2
229.49062	0.2
229.94298	0.2
246.38637	0.2
247.34972	0.2
253.21754	1.5
269.21255	0.8
271.06235	3.7
271.22842	100.0
272.06552	0.5
272.23181	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	271.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34032	0.2
57.46657	0.2
58.97710	0.2
59.01260	0.7
60.14519	0.2
63.02280	0.6
65.00208	0.9
71.60255	0.3
80.04582	0.2
83.01295	0.4
83.04935	0.3
93.03365	0.6
95.01268	0.4
98.20589	0.3
107.01318	1.2
108.02087	0.3
109.02877	0.6
112.70224	0.2
119.04959	3.4
125.02375	0.8
137.02373	0.4
137.52438	0.3
145.69228	0.2
151.00310	3.5
157.03027	0.2
157.06529	0.9
164.01047	0.3
165.01808	0.3
170.07175	0.3
171.08063	0.4
172.05237	0.2
177.01881	0.4
183.08067	0.7
185.06166	0.4
197.09669	0.6
199.11357	0.5
209.06165	0.2
209.09718	1.1
210.10448	1.1
211.11269	1.2
222.07057	0.4
223.07553	0.5
223.11217	0.6
225.12865	2.5
227.10808	0.3
227.14418	4.0
237.09221	9.4
238.10005	39.7
239.10443	2.7
241.04930	0.3
241.08736	0.6
253.12370	6.7
254.12837	0.4
255.10280	0.5
256.11050	2.8
271.06320	5.2
271.13446	100.0
271.22888	1.7
272.06424	0.6
272.13782	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	271.1347
Annotation	(-)-Methallenestrilphenol
Peak:m/z	Relative Intensity
50.79036	0.2
55.48323	0.2
63.02293	0.2
65.00198	0.2
71.32507	0.4
77.16751	0.2
88.80926	0.2
93.03385	0.3
107.01271	0.4
109.02857	0.2
119.04939	0.9
125.02364	0.3
141.89812	0.2
151.00302	0.7
157.06529	1.7
160.57727	0.2
170.07315	0.7
171.08080	0.2
183.08083	1.0
184.08804	0.2
197.09709	0.8
199.11327	1.2
209.09770	1.9
210.10400	1.0
211.11278	2.1
212.11938	0.3
223.11229	1.6
225.12849	5.1
226.13206	0.4
227.14424	9.6
228.14742	0.6
235.11374	0.5
237.09254	1.5
238.10004	5.1
239.10486	0.4
241.05009	0.2
241.12260	0.3
253.08765	0.5
253.12395	7.1
254.09517	3.3
254.12744	0.7
269.11734	0.3
271.13452	100.0
272.13785	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	271.062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25770	0.3
53.46467	0.4
53.74224	0.3
54.53488	0.3
55.65635	0.3
57.03339	14.0
59.01265	0.7
63.02293	0.5
65.00211	0.9
81.03347	2.9
83.01273	3.3
88.70834	0.3
93.03358	0.7
95.01280	0.5
96.28966	0.4
105.03383	0.6
105.69106	0.4
107.01301	1.5
108.02068	0.6
109.02869	3.9
111.00031	0.3
111.00782	1.8
117.03397	1.5
119.04935	2.9
121.02878	1.2
123.04409	0.4
124.01562	0.4
125.02370	100.0
126.02718	1.9
131.04976	1.2
133.02853	0.8
135.04460	2.0
137.02359	1.1
139.00282	0.4
143.04945	1.1
145.02890	26.3
146.03700	5.1
149.02386	5.2
151.00304	2.8
157.06555	1.2
159.03152	0.7
159.04469	12.1
160.04924	0.5
161.02448	0.6
161.06017	9.2
165.01904	0.4
167.04916	0.8
169.02869	0.4
173.06026	0.4
174.03148	0.4
175.03990	0.4
181.06528	0.7
183.04451	2.3
184.05261	1.2
185.02475	0.5
185.06059	6.5
187.03975	7.4
188.04691	0.5
188.57109	0.3
197.06129	0.4
199.07645	0.8
201.05467	2.4
203.07089	4.6
209.06049	2.3
211.03963	0.9
212.04745	0.6
213.01990	0.4
225.05605	1.2
227.03618	0.9
227.07085	4.6
228.07515	0.6
229.05092	1.3
230.02170	1.4
235.03975	0.9
242.99362	0.4
243.06667	0.7
253.05092	6.9
254.05650	0.5
256.03738	0.6
269.04688	0.5
271.06186	45.7
271.19299	0.7
271.22794	2.1
272.06509	3.3
278.14539	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0619
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
57.03328	0.6
59.01255	0.8
61.98704	0.7
62.09161	0.4
63.02282	9.0
65.00210	15.3
68.43075	0.5
71.61675	0.8
73.96357	0.4
83.01274	9.9
93.03357	12.2
98.20512	0.5
107.01297	23.4
109.02853	1.3
112.20126	0.4
119.04943	69.6
120.05284	2.8
121.02898	0.9
123.04408	0.5
125.02365	3.7
133.02893	0.5
136.01524	0.4
137.02383	0.6
143.04996	0.9
145.02878	2.5
146.29378	0.5
150.71675	0.4
151.00310	58.6
152.00661	1.6
161.06042	1.9
165.01846	3.0
169.01357	5.4
177.00456	0.8
177.01897	8.6
185.06090	1.6
187.03989	2.4
201.43651	0.4
214.99869	0.6
227.07170	1.3
241.09834	0.5
271.06180	100.0
271.22824	3.1
272.06509	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	271.062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	0.4
60.11023	0.3
61.03770	0.3
63.02285	8.2
65.00211	15.2
66.00578	0.3
69.48038	0.9
69.48441	1.9
77.90891	0.3
78.98975	0.4
81.03346	0.3
82.58692	0.3
83.01284	9.3
84.87757	0.3
86.15940	0.3
93.03363	10.7
94.03708	0.3
95.01285	0.4
97.48508	0.3
107.01302	21.8
108.01585	0.4
109.02857	0.5
117.03356	0.5
119.04948	63.2
120.05282	1.7
121.02874	0.8
125.02367	3.4
137.02351	0.8
143.04958	0.8
145.02904	2.1
151.00316	57.7
152.00656	1.9
161.06023	1.3
164.01108	0.7
165.01900	2.8
169.01381	2.8
174.01649	1.4
177.01903	8.9
185.06075	1.3
187.04001	2.9
203.07089	0.6
211.02435	0.5
216.00266	0.3
219.35362	0.3
220.67062	0.4
227.07065	1.0
229.05154	0.4
253.05110	0.7
271.06189	100.0
271.22852	1.0
272.06506	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	270.9867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00203	0.4
55.34302	0.2
59.01233	0.3
61.62883	0.2
70.07067	0.2
70.50092	0.2
70.50421	0.6
71.01273	4.8
78.95798	40.9
80.99697	0.2
83.01319	0.3
87.00798	0.6
96.96867	100.0
99.00795	2.0
112.98724	0.8
113.67188	0.2
115.00254	0.3
119.04926	0.4
119.82993	0.2
120.99564	0.6
124.98721	2.5
125.02380	0.2
140.98216	0.7
142.99803	41.1
144.00140	1.0
151.00374	0.4
167.97676	0.2
173.00877	17.2
174.01196	0.4
191.05579	0.3
218.28465	0.2
271.02014	0.3
271.06079	0.8
271.22873	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.9867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74773	0.4
52.57559	0.4
54.24289	0.4
59.01267	0.7
70.13982	2.3
71.01273	5.1
76.19798	0.5
78.91791	1.2
78.95799	37.9
80.04232	0.4
87.00789	0.7
96.96866	100.0
98.19803	0.5
99.00778	1.8
108.02100	1.0
109.62610	0.5
111.00819	0.9
112.98708	1.0
119.04930	0.6
121.06512	0.5
124.98743	2.9
125.02406	0.7
131.79417	0.4
140.98172	0.7
141.29643	0.5
142.99803	41.6
144.00156	1.0
151.00331	0.6
169.01401	0.8
169.30219	0.5
173.00888	20.2
211.02493	1.5
227.05592	0.6
271.04865	1.7
271.22754	0.6
280.69641	0.5
282.40448	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0729
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
57.03335	2.3
59.01264	14.9
59.57596	1.1
65.99715	1.0
70.64109	3.5
71.01272	19.9
72.99201	3.8
73.02847	3.1
75.00755	8.8
78.95803	2.4
81.95406	1.2
83.01307	1.0
85.02849	18.1
87.00775	26.3
89.02338	8.5
95.01282	3.9
96.00798	1.9
96.95913	2.3
96.96900	1.3
99.00783	5.5
101.02352	5.1
103.00270	3.0
105.01841	7.2
113.02357	22.6
115.00311	1.5
117.01866	3.0
119.03441	1.6
125.02404	2.5
126.01923	1.4
129.01862	2.0
131.03409	1.3
141.01904	1.2
164.08917	1.3
169.01427	1.2
191.05583	21.8
193.06125	1.4
207.05084	1.3
237.06136	1.4
249.06129	4.3
267.07297	100.0
268.07562	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	265.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	30.2
59.77115	1.2
63.24450	1.7
65.00206	2.6
69.03333	1.3
69.35674	8.1
69.36107	6.2
71.01266	5.2
85.02821	2.3
86.78959	1.4
92.99697	1.7
95.01274	7.1
95.04946	1.7
99.00770	1.8
101.02328	3.8
120.99276	1.7
121.02920	2.7
121.06532	2.5
135.08064	1.9
136.01588	4.1
148.98763	3.9
149.02411	3.3
149.06010	20.6
149.99474	2.1
152.01111	10.2
163.03912	2.5
163.07605	5.7
167.07094	5.7
176.98259	2.8
177.01799	2.7
177.99060	6.9
178.02596	1.8
178.06311	1.5
179.07085	31.8
180.00633	6.1
191.07071	10.2
192.00606	13.0
206.02213	3.5
206.05840	6.3
207.02977	4.7
207.06624	51.2
208.06906	2.8
217.05051	2.7
219.06610	2.2
221.08298	2.8
222.08942	10.8
235.06137	67.2
236.06358	2.7
250.08510	100.0
251.08827	4.9
264.96320	2.9
265.10867	31.8
265.14459	5.9
265.18091	2.1
266.11273	2.5
281.44144	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0728
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
57.03330	4.0
59.01265	28.1
65.99742	2.4
70.67281	2.5
70.67610	2.0
71.01273	39.9
72.99190	7.9
73.02835	7.1
75.00763	19.5
78.95802	5.6
82.02863	1.5
83.01305	3.8
85.02845	33.6
87.00775	36.9
89.02348	14.2
95.01299	5.4
96.95894	4.9
96.96860	3.6
97.02847	2.2
99.00797	11.8
101.02357	10.1
103.00275	3.1
105.01846	8.8
109.02885	1.5
110.02392	1.9
111.00800	2.9
112.50489	1.2
113.02361	34.2
113.53362	1.4
115.00279	2.0
117.01859	3.1
125.02354	3.8
126.01963	1.6
127.06021	1.3
129.01842	3.2
139.85062	1.3
169.01355	2.0
175.02423	2.3
191.05592	27.9
207.05119	1.5
216.87202	3.5
237.06218	2.5
248.89944	1.7
249.06076	2.6
267.07285	100.0
268.07578	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	259.023
Annotation	D-Glucose 6-phosphate
Peak:m/z	Relative Intensity
57.03322	0.4
59.01262	1.3
70.02711	2.2
70.03082	0.8
71.01266	1.5
78.95796	68.2
79.01128	0.5
96.96864	100.0
99.00763	0.7
101.02365	1.1
111.00788	1.1
112.98700	1.6
113.02383	0.5
129.01903	0.5
138.97946	5.7
142.45410	0.4
168.99068	3.0
199.00134	3.5
223.00165	0.5
241.01190	2.3
259.02322	19.5
259.04651	0.9
260.02734	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0204
Annotation	Ancistroquinone E
Peak:m/z	Relative Intensity
50.88612	0.9
53.14694	1.1
58.06944	1.0
59.01266	6.4
64.47562	1.1
65.00224	1.2
65.03867	1.8
71.57674	1.0
72.73259	1.2
83.26096	1.0
84.00806	1.0
89.03874	1.1
91.05417	2.2
93.03352	2.6
96.36162	1.3
101.03880	1.9
105.03374	1.2
107.04945	5.1
117.03373	5.9
119.04946	9.4
121.02859	3.9
123.00808	1.1
129.03368	1.6
133.02895	1.7
135.04469	20.8
145.02904	23.4
146.03188	1.2
147.04466	19.7
148.01836	1.2
149.02299	2.2
151.03935	1.6
160.15248	1.2
161.02357	3.4
163.00352	1.6
163.03976	27.5
164.01089	2.2
164.04248	1.5
165.01836	1.2
173.02422	13.1
174.03134	2.6
175.04013	8.4
176.01077	2.3
177.01915	3.3
189.01923	7.7
190.02698	5.9
191.03482	97.3
192.00688	2.7
192.03792	6.3
193.01353	3.9
204.00558	1.1
206.02203	1.7
207.02943	4.4
216.00652	1.1
217.01402	6.7
219.02991	37.7
220.03340	2.3
232.59566	1.2
235.02490	12.0
245.00925	14.3
263.02023	100.0
264.02377	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2022
Annotation	KDC 165
Peak:m/z	Relative Intensity
59.00993	0.6
59.01266	7.2
68.87791	0.4
70.77632	1.2
71.01269	1.2
85.02835	0.7
89.41376	0.5
101.02370	0.6
146.76422	0.5
163.00339	0.7
218.99358	0.8
219.21263	0.7
245.19119	1.0
262.98413	0.9
263.20215	100.0
264.20551	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	249.1866
Annotation	roughanic acid
Peak:m/z	Relative Intensity
58.14465	0.9
59.01270	15.4
61.98704	2.5
65.00204	1.7
70.25995	4.9
82.77316	1.0
85.02844	1.1
87.00794	1.2
89.00233	2.1
93.03405	1.2
101.02334	1.6
156.52942	1.1
176.98361	1.6
177.01910	2.0
193.21330	1.0
199.82448	1.0
205.08592	1.2
205.15982	4.8
205.19481	1.3
220.56282	1.0
225.73645	1.0
248.96817	2.6
249.15031	10.3
249.18637	100.0
250.14560	31.5
250.18820	12.2
252.37270	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0231
Annotation	beta-D-Glucose 6-phosphate
Peak:m/z	Relative Intensity
51.09910	0.1
58.69089	0.1
59.01252	0.3
62.96283	0.2
69.89215	0.5
71.01286	0.4
73.02852	0.1
78.95795	86.8
84.84634	0.1
85.02834	0.1
93.94196	0.1
96.96866	100.0
97.97291	0.1
101.02353	0.8
107.60418	0.1
123.48919	0.1
131.73230	0.1
138.97957	5.3
146.60341	0.1
150.97954	0.3
163.04408	0.1
168.99036	2.3
171.00615	0.2
178.95958	0.3
196.50404	0.1
196.92590	0.1
198.90527	2.1
199.00099	2.5
199.90620	0.2
214.93698	0.7
216.90625	2.1
217.90788	0.1
223.00130	0.4
234.91655	0.3
240.91624	2.0
241.01187	1.4
241.91705	0.2
258.92725	2.1
259.02292	12.5
259.92584	0.2
260.02600	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1707
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
53.52596	0.1
56.07537	0.1
56.87508	0.1
59.01263	0.4
61.31400	0.1
69.38445	0.5
69.38872	0.8
71.01264	0.2
89.02373	0.2
121.02875	0.2
147.00804	0.3
165.01842	0.2
174.99115	0.2
175.03938	0.2
179.71521	0.1
184.00160	0.2
186.95520	0.7
187.02501	0.1
202.99823	0.5
205.15875	0.2
212.55576	0.1
220.16927	0.6
223.49321	0.1
231.13844	0.5
245.66142	0.1
246.98973	0.8
247.02617	1.0
247.17064	100.0
248.07932	0.3
248.17404	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	249.0556
Annotation	gamma-Glu-Cys
Peak:m/z	Relative Intensity
51.43159	0.5
58.02845	0.6
59.01263	2.8
66.87634	0.5
69.41781	1.6
69.42185	3.6
72.00784	0.9
74.02374	2.4
82.02885	1.8
84.04443	2.8
86.02363	11.6
88.03956	1.3
95.13213	0.6
96.04453	0.9
96.95917	2.7
102.98515	1.7
107.15316	0.6
109.07620	1.1
120.01170	12.7
127.05044	4.2
127.08703	14.3
128.03461	100.0
129.03844	3.4
131.72546	0.6
153.06642	6.8
171.07707	49.2
172.08087	2.3
179.04591	1.4
197.05663	0.9
213.03336	0.7
215.06728	2.2
231.04475	4.8
249.00552	0.8
249.05637	9.6
249.07965	1.0
249.11279	0.7
249.15056	1.2
250.05905	0.8
250.14572	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	245.0437
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
50.33264	1.0
59.01265	4.3
62.42522	1.0
65.99737	1.3
68.01313	1.6
68.99702	1.5
69.03346	2.7
71.00948	0.9
71.01274	5.8
71.60201	0.9
72.99197	4.2
73.02843	3.7
75.00785	1.1
78.95795	100.0
83.01277	1.2
85.02849	5.1
86.02364	1.1
87.00778	10.4
93.03371	1.3
95.01283	1.9
96.95912	1.6
96.96868	16.5
97.02858	3.4
98.02372	1.5
99.00816	2.5
101.02332	2.8
103.00262	1.7
109.02880	2.8
110.02396	1.2
111.00800	2.6
111.04420	1.4
112.00294	1.8
113.02371	3.7
115.00313	2.5
119.03423	2.0
121.02885	2.8
123.00817	1.2
124.03895	0.9
125.02351	7.2
126.01868	1.2
129.01878	2.9
137.02376	1.6
138.02794	1.5
139.03972	6.3
140.01691	3.1
141.01874	2.3
142.01311	1.0
145.01332	1.2
148.04044	0.9
152.99530	65.1
153.99887	1.9
154.99893	1.1
157.01425	1.2
163.49202	1.0
164.03394	1.6
165.03850	2.9
166.05048	2.4
169.01407	1.8
171.00604	30.5
173.00824	1.3
175.02440	1.5
184.02473	1.2
187.02425	1.5
200.70442	1.0
201.03947	1.0
210.04120	3.7
219.05183	4.8
227.03958	1.2
228.05171	3.7
245.04381	88.4
246.06483	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	247.0253
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15746	0.3
59.01254	0.7
67.44520	0.4
69.27530	3.2
71.01263	0.3
72.99205	0.6
73.62169	0.3
82.73837	0.3
90.92708	0.3
93.95763	0.3
98.02385	0.6
98.95515	0.7
105.03407	0.3
119.04935	1.5
130.86259	0.4
131.04961	0.3
133.02870	0.6
135.04431	0.9
145.02863	2.0
147.04459	3.1
149.02359	0.4
159.04445	0.8
163.03990	2.1
173.02394	3.0
174.03143	0.5
175.03960	2.2
177.01923	0.5
179.45923	0.3
190.02696	2.8
191.03474	11.8
192.03873	0.5
201.01996	0.7
203.00128	0.3
203.03484	1.6
219.02986	4.3
230.02176	0.4
246.01643	0.5
247.02519	100.0
248.02882	7.9
248.05171	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0251
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05907	0.2
71.06255	0.2
89.14293	0.1
91.05463	0.2
93.03381	0.2
103.05427	0.2
105.03388	0.3
107.04942	0.4
115.05460	0.1
117.03395	0.3
119.04932	1.6
121.02854	0.3
130.04208	0.1
131.04982	0.3
133.02925	0.6
135.04454	1.2
137.06076	0.1
145.02881	3.2
146.03662	0.2
147.04459	3.5
148.04797	0.3
149.02385	0.2
158.03674	0.1
159.04465	0.3
161.02408	0.6
163.00418	0.1
163.03947	2.6
164.04289	0.2
173.02385	3.6
174.03165	0.7
175.03964	2.7
176.01135	0.4
176.04289	0.2
177.01894	0.5
185.02402	0.1
189.01888	0.4
190.02676	3.3
191.03464	13.4
192.00629	0.2
192.03780	0.8
201.01865	0.8
202.02644	0.1
203.03476	1.0
205.01320	0.5
217.01421	0.3
218.02141	0.7
219.02985	5.0
220.03310	0.3
229.01434	0.3
230.02174	0.1
246.01657	0.4
247.02496	100.0
248.02835	7.8
248.05579	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.06
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42297	0.2
59.01265	16.3
59.96597	0.6
69.23640	1.4
69.24075	1.3
71.01260	0.4
73.02821	0.4
74.98966	10.0
75.14520	0.3
75.96101	0.5
75.98924	0.3
80.27032	0.2
83.01244	0.3
85.02818	0.6
87.00763	2.4
91.02107	10.9
93.00031	5.1
97.02876	0.3
98.19748	0.5
99.00763	0.5
102.93473	0.3
115.50321	0.3
117.01847	0.5
130.88069	0.3
147.38966	0.2
149.00906	4.6
159.02910	0.3
160.64711	0.3
161.04486	1.9
177.38167	0.3
179.05579	11.8
179.07187	0.6
180.05956	0.4
187.85464	0.2
193.79785	0.3
197.23093	0.3
206.99695	2.5
207.99724	0.4
215.34773	0.3
223.02841	100.0
224.02869	12.5
229.49875	0.3
239.05939	1.3
239.12877	0.4
241.03963	1.9
258.25671	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08197	2.0
55.01755	1.8
57.98708	1.8
58.99489	7.7
59.01265	100.0
69.03335	1.9
70.73885	5.9
70.89542	1.9
71.01260	8.9
73.02835	2.5
74.98998	2.0
83.01292	2.2
85.02868	5.6
87.00774	22.0
89.02357	5.1
99.00755	3.2
101.02386	3.3
115.00306	2.2
117.01829	3.2
125.02380	1.9
141.01820	1.8
149.10477	1.7
151.04211	3.6
161.04529	13.3
176.49585	1.8
179.05576	84.2
179.53967	2.0
180.05956	3.7
193.03915	2.1
221.06744	4.3
239.05717	2.5
239.07791	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	245.0437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33264	1.0
59.01265	4.3
62.42522	1.0
65.99737	1.3
68.01313	1.6
68.99702	1.5
69.03346	2.7
71.00948	0.9
71.01274	5.8
71.60201	0.9
72.99197	4.2
73.02843	3.7
75.00785	1.1
78.95795	100.0
83.01277	1.2
85.02849	5.1
86.02364	1.1
87.00778	10.4
93.03371	1.3
95.01283	1.9
96.95912	1.6
96.96868	16.5
97.02858	3.4
98.02372	1.5
99.00816	2.5
101.02332	2.8
103.00262	1.7
109.02880	2.8
110.02396	1.2
111.00800	2.6
111.04420	1.4
112.00294	1.8
113.02371	3.7
115.00313	2.5
119.03423	2.0
121.02885	2.8
123.00817	1.2
124.03895	0.9
125.02351	7.2
126.01868	1.2
129.01878	2.9
137.02376	1.6
138.02794	1.5
139.03972	6.3
140.01691	3.1
141.01874	2.3
142.01311	1.0
145.01332	1.2
148.04044	0.9
152.99530	65.1
153.99887	1.9
154.99893	1.1
157.01425	1.2
163.49202	1.0
164.03394	1.6
165.03850	2.9
166.05048	2.4
169.01407	1.8
171.00604	30.5
173.00824	1.3
175.02440	1.5
184.02473	1.2
187.02425	1.5
200.70442	1.0
201.03947	1.0
210.04120	3.7
219.05183	4.8
227.03958	1.2
228.05171	3.7
245.04381	88.4
246.06483	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	237.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64520	0.5
55.01773	100.0
56.02114	2.1
59.01276	3.3
61.98718	1.5
65.62601	0.6
71.01278	2.4
71.13713	1.5
71.14057	0.6
73.02855	2.4
75.00800	0.7
79.05424	1.0
85.02863	1.1
87.04412	59.3
88.04780	1.9
89.02322	0.9
93.03363	1.1
94.58521	0.6
101.02379	2.4
113.02376	0.9
113.06065	1.6
119.04970	0.7
121.02904	0.8
129.01877	0.9
131.08607	1.1
133.10185	2.1
140.06396	0.6
143.08636	1.7
144.05797	1.6
145.06487	0.7
146.07343	3.0
159.08107	12.5
160.08412	0.9
161.04535	0.7
161.09668	48.9
162.09985	4.4
173.49791	0.6
177.04100	1.2
193.12387	1.8
237.09293	2.4
237.11470	12.3
237.15080	1.7
238.11821	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48942	0.7
59.01261	2.6
70.96723	2.1
71.01270	38.0
71.29900	0.8
74.98991	1.4
75.00764	4.9
75.59212	0.7
83.01271	0.8
85.02835	2.0
87.00780	8.2
93.03352	0.8
93.71792	0.7
99.00771	1.1
101.02362	1.9
105.00068	10.6
105.03767	0.9
109.05584	0.7
112.21211	0.9
113.02378	1.2
115.00288	70.2
116.00636	1.6
120.99572	100.0
121.99886	2.4
129.01840	0.8
130.98689	0.9
137.02397	1.4
148.99078	6.8
149.02628	1.5
177.02243	0.8
193.01479	1.7
226.65376	0.8
237.00735	14.1
237.04181	2.3
237.06155	3.5
238.01155	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98714	0.4
70.98529	0.6
71.01266	0.5
73.01179	0.2
85.02860	0.4
98.38802	0.2
101.02326	0.4
107.79520	0.2
117.02559	0.2
123.93398	0.2
129.01872	0.4
134.03693	0.4
135.04469	0.3
136.05219	0.4
148.04063	0.4
148.05237	6.6
149.05646	0.4
149.09666	0.8
151.07684	0.2
162.06860	0.4
175.07579	0.3
176.08406	0.7
177.09172	37.2
178.09526	3.3
178.56967	0.2
190.10004	1.4
191.10674	0.9
192.11531	26.6
193.01414	0.3
193.11916	3.3
201.09209	0.7
202.87717	0.2
203.07162	0.6
206.09526	0.3
217.08704	2.8
218.09468	7.0
219.09821	0.8
224.10632	0.2
236.10562	100.0
237.10936	11.0
237.14668	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93070	1.2
57.03336	11.2
59.01266	100.0
60.01581	1.4
60.99183	1.3
67.01781	5.6
68.07255	1.0
68.99702	2.2
69.83462	1.8
69.83829	7.3
71.01273	26.7
73.02834	4.4
83.01290	8.4
85.02836	5.9
87.00763	1.3
93.03352	9.8
99.00790	13.7
102.59401	1.1
111.00788	13.3
111.04388	1.3
129.01869	18.1
130.02182	1.7
165.72824	1.1
173.00804	2.0
173.04535	15.9
194.79565	1.4
209.28500	1.2
233.15503	21.7
234.15852	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	17.4
59.96621	0.5
60.01606	0.3
60.97405	0.4
67.01787	0.7
69.36343	0.3
69.36659	2.7
71.01266	0.4
74.98962	5.4
88.42902	0.3
91.02134	0.6
93.00042	3.6
93.03355	2.9
98.20581	0.6
111.04422	0.5
118.96168	0.5
133.98486	0.4
134.99335	5.9
136.97247	2.2
149.00903	58.4
150.00879	3.9
150.98853	0.8
159.08426	1.5
161.06351	3.8
173.04518	4.6
201.04015	0.3
215.05634	1.4
217.07214	84.0
218.07379	9.7
233.10361	100.0
234.10493	12.4
234.15714	0.5
235.08249	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0672
Annotation	N-Succinyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
54.38258	0.5
55.53423	0.5
59.01266	4.1
65.03806	0.5
65.99744	1.5
67.01748	0.7
68.01303	2.8
68.99714	0.8
69.03339	2.1
71.01282	5.3
71.61675	0.7
71.62044	0.5
72.99201	3.8
73.02831	2.5
75.00774	2.2
78.95800	5.0
80.96414	0.7
81.03362	2.6
83.01273	1.8
83.04948	0.5
85.02850	2.4
87.00773	18.4
88.01142	0.8
94.02897	0.9
95.01292	1.4
96.00811	2.7
96.04449	1.0
96.95910	1.4
96.96867	2.9
97.02841	2.8
98.02374	2.4
99.00796	2.7
99.04430	1.4
101.02349	1.5
103.00275	2.2
104.05042	0.6
106.02883	0.9
108.02082	0.8
108.04482	1.1
109.02872	11.2
110.02377	1.7
110.98436	0.9
111.00796	2.9
112.00332	3.7
112.98728	0.7
113.01588	0.6
113.02361	2.4
115.00285	5.0
117.01853	1.5
121.02869	2.2
122.02419	0.7
123.00835	1.2
123.04436	1.5
124.03960	2.2
125.02374	7.7
125.06020	0.6
126.01864	2.6
127.00319	1.4
127.03935	7.1
129.01863	0.7
132.04497	4.1
138.01881	1.1
139.03915	1.6
140.03487	0.7
141.01869	1.1
142.01363	1.7
142.94753	1.1
142.99803	0.7
143.03404	0.6
145.01372	1.2
148.03964	0.7
149.02333	1.2
150.01907	1.7
150.05531	3.6
151.96858	0.5
153.01903	3.9
154.91473	0.6
154.99835	0.8
156.02986	1.7
156.90025	0.6
166.05019	0.7
168.03015	1.5
169.01392	5.9
171.02948	16.9
172.03271	0.9
175.02461	2.1
176.03510	8.4
177.03830	1.1
189.04015	4.5
194.04573	9.2
212.02040	0.9
212.05638	2.0
230.03009	2.4
230.06718	100.0
231.03169	0.7
231.07056	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	227.1291
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
57.03326	0.6
59.01257	0.9
61.98733	0.7
64.15874	0.4
65.00211	0.6
65.01326	1.1
65.99712	0.7
67.01767	1.4
68.99670	0.5
71.01265	0.7
71.04902	0.9
71.61505	0.7
71.61906	0.6
80.02573	1.9
81.03352	2.2
83.04922	7.1
84.02074	3.4
88.88940	0.6
91.02899	0.8
95.01295	1.7
95.04901	1.2
97.06469	0.5
97.76878	0.5
106.04027	1.1
111.00785	1.4
111.08020	0.5
122.03611	0.6
123.00770	0.6
125.05974	0.9
128.68910	0.6
129.43884	0.4
135.08052	0.7
137.13051	0.5
137.86768	0.5
139.00325	0.9
139.11214	0.5
154.99808	0.6
157.05122	0.8
159.06764	0.7
163.11263	5.2
165.12799	5.9
166.13046	0.5
181.12198	0.8
183.00566	0.9
183.13882	9.4
184.14192	1.0
191.10753	1.7
201.07776	1.0
202.74969	0.5
209.11823	100.0
210.05403	0.5
210.12155	10.7
223.70638	0.5
227.03230	3.5
227.07309	2.7
227.09187	0.9
227.12914	9.0
227.16528	2.5
227.20168	5.1
228.08859	1.0
228.13159	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.32936	0.7
56.12090	0.8
57.03324	1.0
57.45021	0.6
59.01267	1.4
61.98721	0.8
67.01776	1.6
71.01289	0.9
71.61810	1.0
73.28374	0.7
81.03363	0.8
86.27113	0.8
93.03365	2.5
95.01283	1.5
99.92507	0.7
111.00809	3.1
139.00323	1.6
154.99835	0.7
164.69319	0.8
165.12822	5.3
183.13876	100.0
184.14227	8.4
209.11826	5.2
227.03568	1.7
227.07065	2.6
227.12897	86.1
227.16551	4.2
227.20143	9.7
228.13243	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	227.1292
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
55.01775	0.4
57.03326	0.3
59.01253	0.4
63.15281	0.3
66.00893	0.3
67.01788	0.5
69.03319	0.2
71.01286	0.3
71.04916	0.6
71.17433	0.6
73.26025	0.2
80.02566	2.0
81.02944	0.4
81.03353	1.9
83.01267	0.5
83.04923	6.5
84.02065	4.1
95.01286	0.5
95.04919	0.8
109.06515	0.5
115.92764	0.2
125.05991	0.5
125.09659	0.5
135.08089	0.7
139.00319	0.5
145.12387	0.3
147.11674	0.3
163.11249	5.5
164.11594	0.4
165.12813	4.3
171.10207	0.3
175.59457	0.3
181.12297	0.6
183.13864	2.0
191.10780	1.4
199.13290	0.3
209.11830	100.0
210.12169	10.9
210.14211	0.4
226.98611	0.3
227.03638	0.5
227.07027	0.3
227.12918	4.6
227.16412	0.6
227.20218	1.3
228.13362	0.4
236.80258	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0461
Annotation	Nifuradene
Peak:m/z	Relative Intensity
52.69718	0.9
55.01759	3.9
57.03086	1.4
57.03341	20.4
59.01267	13.5
65.35270	0.9
67.01809	0.9
67.67789	0.9
68.99702	2.0
71.01276	15.4
71.55712	1.0
72.99191	5.6
73.02824	2.7
75.00778	7.3
83.01282	10.7
84.02065	2.9
85.02850	100.0
86.03173	2.8
87.00785	5.0
88.01518	1.3
96.95910	1.6
101.02348	14.6
103.00257	1.3
103.03914	2.1
111.00796	47.1
112.01109	2.3
121.02850	1.3
125.02364	1.5
129.01872	29.6
130.02251	1.2
135.04463	1.5
147.02919	7.5
149.02412	1.2
153.01979	1.2
161.04547	2.6
164.04716	1.3
165.01727	1.1
187.02449	3.6
193.01357	3.1
205.03539	48.5
206.03876	1.6
208.03790	4.7
223.04576	50.8
223.13376	1.2
224.05002	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58197	0.4
57.03338	26.2
59.01267	1.7
65.01355	0.6
69.03353	4.6
71.04911	7.9
71.59843	0.7
81.03364	1.2
83.04927	1.7
95.04933	1.4
97.06498	2.2
106.04059	0.5
107.04919	1.0
109.02878	0.6
109.06517	4.6
115.07603	0.6
121.06527	2.5
121.10162	2.5
123.08078	6.9
124.08474	0.5
125.06084	0.6
125.09647	0.9
126.39552	0.4
135.04469	0.7
135.08104	1.6
137.02412	0.9
137.09657	20.0
138.09973	1.1
147.08006	0.6
147.10229	0.5
149.09628	0.5
151.07677	1.0
151.11220	8.8
152.11555	1.0
153.09166	1.5
153.12804	13.4
154.13142	0.8
161.79224	0.5
163.11240	8.0
164.11577	0.6
165.01877	0.6
167.03400	0.7
177.12813	0.6
179.10899	0.9
179.14371	3.9
180.04189	0.7
181.12297	8.9
181.13748	0.9
189.12852	1.5
191.10840	0.6
195.02948	1.9
195.06642	0.8
195.13885	18.3
196.14191	2.3
197.11839	0.9
197.15451	18.3
198.07796	0.6
198.15823	1.6
205.12337	1.2
207.10181	0.6
207.13879	15.3
208.14168	1.1
210.05269	2.6
225.07693	1.5
225.14970	100.0
226.01616	0.6
226.15289	10.4
241.14500	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03217	1.0
57.03337	25.2
59.01262	3.9
61.98725	1.2
69.03344	3.8
71.01287	1.4
71.04913	5.2
71.60926	1.9
83.04925	2.1
83.43923	1.0
93.03387	2.1
97.02865	1.7
97.06471	1.9
109.06498	3.4
118.15398	1.1
121.06532	1.4
121.10148	2.6
123.00813	1.1
123.08072	7.9
125.02376	7.2
125.06002	1.2
137.02351	2.1
137.09645	22.2
144.04243	1.0
151.03923	1.4
151.07568	1.4
151.11237	10.0
152.08368	1.4
153.09175	1.4
153.12810	16.7
163.11243	9.6
165.01816	2.3
171.06763	1.1
171.13850	2.2
179.10747	1.7
179.14357	4.6
180.04248	1.4
181.12303	10.7
189.12840	1.3
195.02962	2.1
195.06619	2.3
195.13872	17.7
196.14334	2.6
197.11777	3.9
197.15446	19.6
198.08041	1.4
199.06242	1.6
207.13899	16.9
210.05229	2.4
213.59453	1.1
225.00478	1.2
225.07690	3.2
225.11319	4.6
225.14967	100.0
226.07439	1.2
226.15298	10.7
241.14551	1.6
246.73389	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
54.35236	0.4
56.02303	0.4
57.03339	1.7
59.01265	100.0
60.01603	1.5
61.98730	0.5
80.02600	0.6
81.03353	1.0
92.99736	1.7
97.06498	2.3
97.76299	0.5
108.45777	0.4
109.06517	1.9
118.71223	0.4
120.02177	0.6
121.02874	20.8
122.03249	1.3
124.03950	0.6
136.98743	1.4
137.06038	0.5
151.03970	0.8
164.98254	1.8
165.12781	2.5
179.03511	1.0
183.06696	1.1
194.02203	0.8
208.97282	0.6
209.04512	4.3
209.08546	0.8
209.11804	15.5
210.04855	0.7
210.12146	1.9
229.18945	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.134
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
53.67985	0.3
59.01266	1.2
61.98711	0.8
62.84628	0.3
69.03339	0.6
71.41102	0.4
83.04914	0.5
85.02826	0.3
95.01319	1.1
97.02850	0.2
97.06497	0.3
109.02835	0.3
111.00785	0.3
118.11666	0.3
123.00835	0.5
125.02355	0.3
137.02310	0.3
139.00362	0.6
149.02260	0.2
149.09642	0.3
155.10718	0.4
164.98279	0.6
165.12796	0.5
166.99828	0.3
167.10690	1.7
167.14349	1.5
181.01387	0.7
183.13889	13.0
184.14229	1.0
192.97830	0.6
193.12347	3.1
196.03731	0.9
210.98843	0.3
211.06245	1.2
211.13393	100.0
212.13736	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	221.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66172	0.2
53.32831	0.2
59.01266	18.9
60.01608	0.4
69.75122	0.3
70.02831	1.1
71.01267	0.5
73.02846	0.6
85.02855	0.3
89.57815	0.2
91.01787	0.6
95.01339	0.3
101.02351	0.8
119.01308	0.4
119.48974	0.3
128.59779	0.2
143.03383	0.3
161.04504	1.1
163.00319	14.0
164.00664	0.7
177.01878	0.9
178.81328	0.2
190.99834	100.0
192.00163	7.2
202.99904	0.6
203.84135	0.3
205.01413	0.7
206.02196	41.6
207.02528	3.0
211.51584	0.2
221.01048	0.6
221.04568	5.9
221.06445	0.3
221.11890	0.5
222.04897	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0662
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
57.03322	0.3
58.22992	0.2
59.01265	7.3
60.59139	0.2
61.98718	0.4
68.79196	0.2
69.86868	0.2
70.48991	0.8
71.01260	0.5
73.38560	0.2
75.00759	1.0
77.03816	0.2
80.07130	0.2
85.02847	0.3
89.02280	0.2
89.82400	0.2
91.01801	0.4
91.30080	0.2
93.03352	0.2
95.04911	0.7
97.04095	0.2
99.00787	0.4
105.03367	3.4
119.01315	0.2
120.84488	0.2
121.02887	0.3
123.04455	0.5
129.01863	1.5
132.02151	0.2
133.02879	31.9
134.03215	1.6
135.00819	0.3
147.02953	1.2
149.02359	2.2
150.74670	0.2
151.04019	0.3
152.61752	0.2
161.02365	0.2
163.00294	0.6
163.04048	0.2
164.04742	2.6
177.01891	14.9
178.02151	1.1
181.05141	0.2
192.04253	100.0
193.04594	7.8
207.03105	0.7
207.06619	22.8
207.13902	0.9
208.07011	2.4
223.76184	0.2
224.87140	0.2
227.31123	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0666
Annotation	Sedoheptulose
Peak:m/z	Relative Intensity
53.00204	0.8
55.01772	3.2
57.03337	22.8
58.00476	2.2
58.03680	0.6
58.99484	2.4
59.01265	28.1
63.96141	0.4
67.01764	1.1
68.99701	2.4
69.03339	1.4
71.01272	20.9
71.18685	1.0
72.01563	0.5
72.99191	3.7
73.02832	4.5
74.98990	3.8
75.00774	1.7
77.00559	2.6
78.95800	2.7
79.95628	1.9
80.96419	5.5
81.03378	0.5
82.02886	0.8
83.01274	7.5
83.04916	1.6
84.02065	7.1
85.02844	71.6
85.99982	0.8
86.03180	2.0
87.00774	32.2
87.04412	1.3
88.01147	0.7
89.02340	11.3
93.03327	2.4
95.01276	0.6
96.95909	1.5
96.96872	2.9
97.02853	3.4
99.00777	7.5
99.04453	0.6
99.14760	0.5
101.02351	9.7
102.98497	1.0
103.03940	0.5
109.02859	1.1
110.98421	0.7
111.00786	8.7
111.04495	0.6
112.97971	0.9
112.98721	11.2
112.99504	0.6
113.02336	1.6
115.00301	0.8
115.03940	0.9
119.03436	3.0
120.99590	4.4
121.02837	4.2
124.00665	2.0
124.98711	1.9
127.03913	0.8
129.01868	45.4
129.05498	0.7
130.02194	1.3
131.03421	0.5
133.01352	0.6
136.99049	1.5
137.02383	2.0
137.06004	1.3
141.01892	4.1
142.99800	40.4
144.00131	1.7
145.01360	0.6
147.02902	0.5
159.02942	9.9
161.02345	0.5
165.01938	1.4
165.04048	0.6
165.05510	0.9
173.00879	11.0
173.04500	1.5
174.01167	0.9
178.99794	0.6
179.03510	0.8
191.00243	0.5
191.01952	1.1
191.05612	1.7
194.02138	0.9
194.05867	0.4
209.01111	4.2
209.06647	100.0
210.04526	1.1
210.07034	4.9
217.34233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46548	1.8
57.03330	8.9
58.00479	4.5
58.03678	2.3
59.01267	100.0
60.01612	4.2
60.99199	4.5
64.37183	1.8
68.99694	11.0
69.03355	2.2
70.34978	7.2
71.01269	26.3
71.04903	2.6
72.01602	5.5
72.99201	48.6
73.02834	23.8
75.00770	21.9
80.31147	2.1
80.96410	6.7
83.01297	9.4
84.99200	4.3
85.02847	29.6
87.00780	50.8
88.01107	3.0
89.02352	5.6
95.01284	5.5
98.02371	3.9
98.06013	1.9
99.00777	18.9
99.04414	4.3
100.01608	3.0
100.04758	7.3
100.98703	8.4
101.02366	15.7
102.02703	6.3
103.00297	10.7
111.00785	3.3
111.15598	1.7
112.01114	3.9
112.98726	19.1
113.02357	32.0
115.00265	8.3
116.00584	3.1
117.01845	9.2
118.76106	1.9
118.98002	1.9
125.02369	7.8
126.02715	25.1
127.02896	1.9
129.01851	31.6
130.99796	99.0
131.03416	9.0
132.00127	3.7
135.02873	6.1
135.04507	2.9
142.99776	6.2
144.00612	29.3
144.03743	3.5
145.01373	66.8
146.01698	9.5
147.02892	12.5
157.01398	24.6
162.01927	4.5
163.00357	4.5
163.04057	2.5
177.01851	6.5
188.02829	7.0
189.04027	2.7
192.04266	18.0
197.74876	2.0
206.01271	3.4
206.02043	2.7
206.04201	46.3
206.99396	3.7
207.03107	4.6
207.05002	12.8
207.06740	3.8
215.85571	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	206.0822
Annotation	N-Acetyl-D-phenylalanine
Peak:m/z	Relative Intensity
52.56296	0.5
58.02863	33.2
59.01263	8.1
65.99717	0.7
70.02869	13.7
71.01259	0.6
72.00802	4.1
76.59121	0.5
78.48191	0.6
82.03977	0.6
91.05425	6.9
129.01859	1.4
135.04469	1.6
147.04460	34.4
148.04776	2.7
149.02390	1.1
162.09212	1.9
163.00342	0.7
164.07121	100.0
165.07462	6.9
173.07454	0.7
177.01845	4.0
192.00616	2.3
192.04254	4.6
206.08220	43.8
207.02963	1.3
207.06639	1.8
207.08551	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	207.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	5.1
57.68594	4.6
59.00989	7.5
59.01265	100.0
63.01899	4.7
67.01796	4.7
69.74479	4.5
70.00507	16.6
70.00933	9.9
71.01257	6.0
75.00768	24.6
83.01321	5.9
85.02856	7.0
95.36459	4.3
96.95929	37.7
98.20397	5.7
119.01316	4.4
119.04936	5.8
129.01871	24.3
135.02925	19.7
136.93924	21.6
147.02945	21.2
149.02443	11.6
177.01907	56.3
192.04265	73.6
193.04709	7.3
207.03102	5.3
207.06621	28.3
207.08272	4.8
207.10275	7.2
220.97816	5.2
225.67871	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	206.0221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	0.2
58.02867	0.2
59.01267	3.5
59.59875	0.1
65.00233	0.2
65.01342	0.2
65.99750	0.3
71.01293	0.4
71.60030	0.2
75.00768	0.5
75.02331	0.2
79.01810	0.2
82.04015	0.3
85.02877	0.2
91.01797	2.5
91.02323	0.2
93.03397	0.2
95.01281	1.5
97.04031	0.2
99.00790	0.2
106.04058	0.2
107.01318	0.4
108.02080	0.5
109.03987	0.2
111.01974	0.2
119.01334	1.7
121.02872	0.2
121.05189	0.2
123.00807	0.2
129.01868	0.7
134.03453	0.2
135.00818	1.2
136.01590	0.8
137.09634	0.2
147.02959	0.6
148.01624	0.2
149.02434	0.4
151.00381	0.4
163.00325	35.2
164.00676	2.1
177.00464	0.2
177.01912	3.0
178.99866	0.4
190.99838	100.0
192.00531	18.0
192.04210	2.2
205.01440	0.7
206.02214	3.9
206.04184	0.2
206.12593	0.2
206.16147	0.2
206.67702	0.2
206.99298	0.7
207.02953	4.3
207.06636	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1597
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
50.85088	0.2
55.75071	0.1
57.87055	0.2
59.01261	1.7
61.98724	0.4
62.20681	0.1
67.92237	0.2
70.95363	0.5
71.01266	0.5
72.99189	0.2
75.00759	0.2
82.32357	0.2
85.02850	0.4
87.00732	0.3
87.05536	0.2
99.00778	0.3
101.02271	0.2
115.00278	0.7
133.02901	0.3
161.02383	0.2
161.06104	0.3
162.89278	0.3
177.01843	0.3
179.54865	0.2
189.12837	1.8
190.02678	0.2
190.99855	0.2
205.01404	0.5
205.05089	0.4
205.15968	100.0
206.16309	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	205.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41024	2.2
54.28262	2.1
55.01777	8.5
57.02132	2.1
57.03343	4.1
58.00480	3.7
58.29212	2.4
59.01265	100.0
65.00233	2.5
67.01766	4.0
68.99712	13.8
70.67559	4.2
70.67931	4.2
71.01272	97.3
71.63321	2.3
72.01638	2.6
72.99202	45.5
73.02835	13.5
75.00762	40.7
83.01278	12.4
85.02855	4.6
87.00777	75.8
89.02360	6.2
96.99216	7.6
99.00775	34.6
99.04443	6.8
100.98724	3.2
101.02370	14.9
103.00282	9.9
111.00785	40.0
112.98731	14.9
113.02371	2.4
115.00291	93.2
116.00634	2.9
117.01855	15.9
124.98746	19.0
125.02384	17.5
127.00301	11.8
129.01881	13.9
130.99788	28.3
137.47739	2.2
142.99818	25.3
143.03391	3.5
144.00540	4.5
145.01372	33.6
154.99834	15.7
157.01378	8.5
173.00871	6.0
175.02448	9.8
187.02509	5.3
205.03481	6.7
206.04321	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	205.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97255	0.4
55.01766	0.5
57.03338	10.7
58.02869	0.9
58.42751	0.5
59.01262	8.2
60.56107	0.5
64.58041	0.6
65.01331	0.9
65.99728	1.5
68.01286	0.7
69.03336	1.4
71.01262	3.6
71.59281	0.9
72.99177	1.4
75.00768	1.5
76.50460	0.4
78.78287	0.5
82.04008	0.7
83.01266	0.5
83.04897	0.7
85.02834	1.8
87.00784	1.8
93.03347	1.0
95.04925	2.5
96.65879	0.6
97.02843	1.4
97.06488	1.9
99.00806	1.9
106.04082	1.0
107.02444	0.7
107.04945	3.6
109.03994	0.8
109.06488	0.8
111.00793	0.6
115.00299	3.0
119.04918	0.7
120.05723	0.8
121.05116	1.7
121.06511	4.3
122.03525	0.6
123.08082	1.5
129.01871	0.8
133.06502	1.4
134.03598	1.3
135.04469	0.9
135.05508	0.6
135.08107	2.7
136.05074	0.8
138.06859	0.6
142.99837	0.7
145.01402	1.0
147.04477	0.9
147.08090	25.7
148.05128	0.8
148.08405	1.9
149.05981	1.2
149.09674	3.6
151.07500	0.8
154.99796	0.6
160.08881	1.9
161.02312	0.8
161.06047	1.2
161.09679	4.7
162.06798	0.7
163.11243	10.1
164.11560	1.1
165.05560	0.7
171.08150	3.3
172.08852	2.1
174.06834	0.7
175.07529	1.2
175.11206	4.8
176.08342	0.7
177.01888	0.7
177.05547	0.6
177.12798	7.8
178.06114	1.2
187.07629	0.8
187.11249	24.2
188.08452	2.9
188.11531	2.5
189.09187	14.1
190.09918	5.5
203.10768	8.0
204.11153	1.2
205.01418	1.2
205.12326	100.0
205.15918	2.8
206.08388	0.7
206.12677	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	205.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	7.2
57.03338	1.8
58.00475	3.0
59.01263	69.8
60.99187	1.3
67.01768	1.3
68.23162	1.1
68.99706	9.3
71.01267	75.8
71.21895	1.7
71.22226	1.2
72.01607	2.5
72.99198	40.6
73.02844	8.5
75.00765	29.5
81.03345	0.9
83.01280	7.9
84.01604	0.9
84.99212	2.0
85.02841	5.6
86.04578	1.0
87.00769	44.2
88.98714	1.5
89.02321	5.2
96.86905	1.0
96.99216	5.9
99.00777	31.6
100.98715	2.5
101.02324	9.1
103.00258	9.7
105.50496	1.0
111.00780	12.0
112.98707	8.9
115.00283	100.0
116.00611	3.9
117.01864	11.4
124.98728	13.9
125.02375	4.4
125.69961	0.9
127.00302	12.2
129.01863	13.7
130.99791	15.4
142.99803	21.3
144.00537	4.4
145.01357	26.8
147.02951	1.1
154.99794	13.4
157.01395	6.0
159.02951	1.1
161.06100	1.0
163.11263	1.8
169.01526	1.2
173.00851	6.7
175.02431	11.5
187.02419	1.7
204.45270	1.2
205.03484	9.2
205.05185	1.7
205.12325	2.0
205.15936	4.8
206.04314	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	205.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	6.2
58.00473	3.2
59.01266	90.5
67.01801	3.0
68.99696	10.9
71.01270	81.6
71.14095	4.8
72.99197	47.5
73.02843	12.4
75.00768	33.9
80.99694	2.5
83.01278	12.8
85.02863	14.2
87.00773	50.1
89.02336	6.5
96.99226	4.6
99.00790	34.9
101.02341	8.5
103.00318	6.0
111.00782	39.1
112.98680	2.9
115.00290	100.0
117.01855	16.6
118.03192	2.8
124.98724	13.3
125.02389	4.1
127.00293	12.6
127.03880	2.4
129.01869	13.7
130.99815	5.1
142.99779	27.7
145.01378	24.3
154.99792	10.9
161.02467	4.9
173.00899	5.8
175.02467	10.2
177.01883	2.9
187.02405	3.5
190.02705	4.1
205.01440	3.6
205.03465	8.9
205.12308	5.4
205.15974	9.3
206.04155	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	203.0196
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
55.01777	0.8
55.65415	0.6
57.03339	5.7
59.01263	9.4
59.66328	0.6
66.03369	1.5
67.01787	2.0
68.01308	6.2
68.99700	2.2
69.03344	44.5
70.03684	1.6
70.08940	0.6
70.66130	1.9
71.01269	32.9
71.22423	0.6
72.01605	0.8
72.99210	7.5
73.02834	10.4
75.00762	7.8
78.95802	1.6
79.01789	2.1
82.02889	0.9
82.91466	0.6
83.01263	3.4
85.02845	15.5
87.00774	22.5
88.01127	0.5
89.02324	0.9
94.02860	1.4
95.01287	20.0
96.96867	1.9
97.02853	62.9
98.02386	9.2
98.03185	2.2
99.00778	26.9
99.01434	1.3
100.01135	1.5
101.02383	1.9
103.00278	7.3
105.01840	18.5
111.00787	4.4
111.04443	0.9
112.03931	0.8
113.02352	15.1
113.52689	0.6
114.02731	0.7
115.00287	17.6
115.01066	1.2
115.03912	2.1
117.01891	0.9
119.04932	0.6
123.00803	18.8
124.01189	0.8
124.03957	1.2
126.01900	11.6
129.01874	2.8
131.03413	1.7
135.02931	2.5
137.02396	0.7
138.01848	0.7
139.00313	3.3
140.01079	0.7
141.01871	100.0
142.02225	4.6
144.02969	2.6
145.01421	0.6
156.02940	0.7
157.01352	1.7
159.02940	1.8
159.04390	0.6
166.99886	2.9
175.03940	0.6
185.00873	7.5
186.03995	3.2
203.01959	27.3
204.02310	1.4
204.05124	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	203.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47326	0.6
55.01759	1.1
57.03325	1.5
58.02867	2.9
59.01267	8.9
60.99198	1.4
67.01776	1.2
68.99703	1.1
69.03345	50.1
69.66417	1.2
69.66821	4.3
70.03683	1.7
71.01273	32.6
72.99190	7.8
73.02854	1.4
75.00762	4.3
79.01775	3.1
82.06521	1.0
83.01276	2.2
85.02843	6.9
87.00770	10.3
89.08788	0.6
95.01295	6.2
97.02854	74.3
98.03188	2.9
98.20499	1.3
99.00800	4.7
100.03925	1.5
100.98719	1.5
101.02336	0.8
105.01839	1.7
111.00796	2.5
112.98684	0.7
113.02328	2.5
115.00283	8.1
115.03925	1.0
117.01859	1.1
123.00803	3.0
124.98740	0.6
127.00299	1.9
129.01883	4.0
130.99771	0.8
131.03406	0.8
141.01878	18.8
142.02206	1.2
142.99808	1.2
145.01360	1.5
153.35159	0.8
158.08124	3.0
159.02925	2.0
174.01544	0.8
186.07764	1.6
187.02411	0.7
203.01959	100.0
203.10843	0.9
204.02348	7.2
204.03973	0.7
204.06970	0.9
204.08737	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	197.0607
Annotation	4-Hydroxybenzophenone
Peak:m/z	Relative Intensity
51.00986	2.3
59.01265	13.9
60.99205	3.2
61.98714	9.7
65.00214	7.6
69.03336	4.5
69.40559	17.0
81.03339	3.7
83.01305	4.5
85.02864	2.4
93.03337	2.5
95.01282	9.6
96.95905	3.4
97.02845	2.6
109.02856	11.0
109.06538	2.2
111.04436	3.6
116.92777	2.6
121.02863	10.0
123.00811	39.1
123.04438	4.8
125.02369	7.6
126.90409	2.7
137.02333	2.8
138.03160	8.8
147.56668	2.2
150.51524	2.7
151.00391	2.5
153.01862	8.5
153.05501	10.1
153.09108	4.4
153.12794	28.8
160.84151	13.2
162.83871	40.8
166.99834	33.2
171.13852	3.1
178.99783	4.2
179.10677	3.4
182.02179	55.2
196.98512	3.1
197.00737	3.8
197.04475	21.5
197.06056	100.0
197.08017	7.1
197.11824	32.8
197.15312	3.4
197.80765	23.1
197.90164	3.0
198.06378	10.3
198.12154	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	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
50.18323	0.3
51.86808	0.3
53.58717	0.4
54.20454	0.3
55.01771	0.3
57.03336	0.5
59.01257	1.7
60.99193	0.7
61.98709	0.7
64.55973	0.3
65.00224	0.5
65.94251	0.4
67.01784	0.4
69.03355	0.9
69.39592	3.2
71.04919	0.8
81.03354	0.5
83.01264	0.6
83.04928	0.6
84.66819	0.3
95.01308	1.3
95.04951	0.5
97.02869	0.7
97.06490	13.7
98.06819	0.7
98.20580	0.8
99.08044	3.1
99.08521	0.3
99.18181	0.3
107.50263	0.4
108.99226	0.5
109.02872	1.5
109.06499	0.4
110.02384	0.5
111.00763	0.4
121.02846	1.3
122.03649	1.8
123.00794	3.4
123.04434	0.7
125.02362	1.4
125.09648	1.0
126.03154	0.7
126.90417	0.7
130.03972	0.4
137.02342	0.6
137.09647	1.7
138.03177	1.7
151.11255	1.3
153.01903	1.0
153.05542	1.3
153.12790	100.0
154.13127	8.9
162.83890	1.1
166.99803	4.2
169.12268	0.5
171.06786	0.8
171.13860	1.0
178.99951	0.5
179.03404	0.5
179.10738	22.3
180.11089	1.3
182.02187	8.0
182.05800	0.6
183.02757	0.5
196.91054	0.4
197.02060	1.3
197.04567	3.3
197.06271	0.5
197.08144	1.4
197.09944	0.7
197.11803	14.0
197.15424	0.4
197.80775	0.5
198.12140	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	191.0348
Annotation	Pisonin F
Peak:m/z	Relative Intensity
51.67192	0.2
57.03328	0.7
59.01268	8.3
59.90022	0.2
67.01798	0.4
68.99713	0.2
69.03347	0.4
69.45518	0.6
69.45922	1.8
71.01271	1.0
73.02846	1.2
77.03845	0.3
81.03370	0.5
83.04946	0.2
84.02087	1.5
84.02516	0.3
85.02340	0.6
85.02850	9.0
86.03184	0.3
87.00777	4.9
93.03378	1.9
99.04434	0.9
101.02386	0.3
104.02579	0.5
109.02875	0.7
111.00793	7.4
111.04414	0.7
119.04960	2.1
121.02878	100.0
122.03219	6.1
127.03940	1.2
129.01855	0.8
131.03433	0.7
147.04460	6.5
148.04909	0.5
163.00381	0.5
163.03979	0.7
171.03040	0.5
173.00928	0.3
173.04547	0.8
176.01109	2.0
190.99899	0.6
191.01958	0.9
191.03543	8.6
191.05612	31.9
192.03853	1.0
192.05962	1.8
202.66479	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0558
Annotation	2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone
Peak:m/z	Relative Intensity
57.03347	4.8
59.01268	3.3
67.01768	2.2
68.64270	0.6
71.01283	1.7
71.28243	1.2
73.02823	1.0
81.03319	1.2
81.30379	0.6
83.04924	0.9
85.02845	38.8
86.03171	1.1
87.00774	38.4
88.01091	0.7
93.03363	6.5
99.00759	0.8
99.04407	0.9
107.73869	0.6
109.02891	1.6
109.56583	0.7
111.00793	67.7
111.04392	1.8
112.01126	3.1
125.02354	0.6
125.73711	0.7
127.03922	4.5
129.01860	3.8
129.21271	0.6
130.99823	0.7
153.01851	0.5
171.02939	1.6
173.00853	1.8
173.04486	1.6
185.52350	0.7
191.02014	8.1
191.05582	100.0
192.02307	0.9
192.05919	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	191.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17622	0.1
57.03341	0.8
58.00478	0.3
59.01266	3.7
60.99180	0.3
67.01775	1.0
67.92027	0.2
69.03350	0.7
71.01269	2.2
71.04919	0.1
71.57931	0.1
71.58295	0.2
72.99164	0.1
73.02831	0.9
77.89282	0.1
81.03346	0.6
83.01275	0.2
83.04924	0.8
84.90210	0.1
85.02844	23.5
85.36774	0.1
86.03180	0.6
87.00774	6.9
88.01110	0.2
93.03363	6.8
94.03688	0.2
95.01272	0.2
97.02853	0.1
99.00762	0.3
99.04418	0.9
101.02354	0.4
109.02865	1.7
111.00791	5.4
111.04429	2.5
112.01075	0.2
112.04763	0.2
113.02348	0.5
125.02391	0.2
127.03933	5.3
128.04301	0.2
129.01852	0.5
129.05431	0.1
137.02383	0.2
143.03487	0.3
153.01816	0.2
155.03459	0.6
171.02971	1.7
173.04518	2.8
176.01114	0.2
191.05586	100.0
192.05936	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	191.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17622	0.1
57.03341	0.8
58.00478	0.3
59.01266	3.7
60.99180	0.3
67.01775	1.0
67.92027	0.2
69.03350	0.7
71.01269	2.2
71.04919	0.1
71.57931	0.1
71.58295	0.2
72.99164	0.1
73.02831	0.9
77.89282	0.1
81.03346	0.6
83.01275	0.2
83.04924	0.8
84.90210	0.1
85.02844	23.5
85.36774	0.1
86.03180	0.6
87.00774	6.9
88.01110	0.2
93.03363	6.8
94.03688	0.2
95.01272	0.2
97.02853	0.1
99.00762	0.3
99.04418	0.9
101.02354	0.4
109.02865	1.7
111.00791	5.4
111.04429	2.5
112.01075	0.2
112.04763	0.2
113.02348	0.5
125.02391	0.2
127.03933	5.3
128.04301	0.2
129.01852	0.5
129.05431	0.1
137.02383	0.2
143.03487	0.3
153.01816	0.2
155.03459	0.6
171.02971	1.7
173.04518	2.8
176.01114	0.2
191.05586	100.0
192.05936	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	191.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17622	0.1
57.03341	0.8
58.00478	0.3
59.01266	3.7
60.99180	0.3
67.01775	1.0
67.92027	0.2
69.03350	0.7
71.01269	2.2
71.04919	0.1
71.57931	0.1
71.58295	0.2
72.99164	0.1
73.02831	0.9
77.89282	0.1
81.03346	0.6
83.01275	0.2
83.04924	0.8
84.90210	0.1
85.02844	23.5
85.36774	0.1
86.03180	0.6
87.00774	6.9
88.01110	0.2
93.03363	6.8
94.03688	0.2
95.01272	0.2
97.02853	0.1
99.00762	0.3
99.04418	0.9
101.02354	0.4
109.02865	1.7
111.00791	5.4
111.04429	2.5
112.01075	0.2
112.04763	0.2
113.02348	0.5
125.02391	0.2
127.03933	5.3
128.04301	0.2
129.01852	0.5
129.05431	0.1
137.02383	0.2
143.03487	0.3
153.01816	0.2
155.03459	0.6
171.02971	1.7
173.04518	2.8
176.01114	0.2
191.05586	100.0
192.05936	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	187.0246
Annotation	trans-Homoaconitate
Peak:m/z	Relative Intensity
54.18185	0.5
55.14378	0.5
58.62395	0.5
59.01263	1.3
60.41457	0.6
67.01777	0.8
68.99693	0.8
70.45010	0.8
70.45352	2.0
71.04910	2.4
72.99197	0.7
81.03368	5.3
83.01277	1.4
97.02840	0.8
98.02391	3.9
99.00804	1.9
99.04423	45.0
100.04003	0.8
100.04745	1.9
102.05539	1.8
114.05534	1.8
115.03929	9.4
116.03451	4.3
116.07149	1.0
125.02373	100.0
125.09647	0.9
126.02705	5.6
127.00331	0.8
128.03494	1.0
130.93478	0.5
142.04991	1.5
143.03455	11.2
143.04546	1.4
144.02937	3.0
144.06622	1.2
157.01381	0.6
187.00781	0.6
187.02391	14.9
188.02837	1.4
188.05681	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	187.0246
Annotation	2-Methyl-trans-aconitate
Peak:m/z	Relative Intensity
55.01777	2.8
57.03334	2.2
59.01265	7.4
66.85386	1.6
68.99707	4.2
69.03378	1.6
71.01272	19.8
71.56214	1.8
72.00800	2.3
72.99187	3.5
81.03355	4.5
81.91302	1.7
83.01274	4.5
85.02846	1.6
89.02361	2.6
97.99986	2.2
98.02404	14.4
99.00786	17.0
99.04423	34.9
100.03947	2.9
102.05526	3.2
111.00793	2.6
114.05530	3.5
115.03918	6.9
116.03441	24.9
116.07117	4.6
123.08134	1.8
125.02368	100.0
125.09647	17.2
126.02721	4.6
127.00283	4.7
129.01859	4.2
140.98340	1.8
141.58533	1.8
142.05051	2.2
142.99866	2.9
143.03432	10.8
143.04530	4.8
144.02954	24.1
154.99786	2.4
169.01350	4.8
187.02266	13.9
187.03728	6.9
187.09668	11.8
187.13316	2.4
188.03207	2.3
188.05537	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	183.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01785	0.3
56.29269	0.2
59.01263	0.4
65.00213	0.5
67.01779	0.8
68.99696	0.8
69.31375	2.2
69.31793	0.8
71.01285	0.3
72.99198	0.8
82.26201	0.2
83.01281	1.2
95.01308	0.4
102.81509	0.3
110.00030	0.9
111.00797	5.8
123.00787	1.2
124.00931	0.3
124.01618	3.3
127.00288	2.1
136.98726	3.7
139.00319	6.5
139.03923	0.4
139.11169	0.3
140.01105	8.7
151.00275	0.8
154.99818	0.9
157.05183	0.4
168.00606	12.6
169.00975	0.7
183.02963	100.0
183.10220	1.0
184.01768	0.5
184.03311	6.1
184.06172	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0296
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
55.01767	0.3
59.01261	0.5
65.00204	0.6
66.87640	0.2
67.01771	0.9
68.99700	0.5
71.01272	0.9
72.99196	0.9
77.56823	0.1
83.01284	1.0
83.04871	0.2
84.99196	0.2
87.00758	0.4
95.01257	0.6
95.04906	0.2
96.99239	0.4
97.02841	0.4
98.02412	0.2
99.00775	0.3
103.68354	0.2
110.00027	1.2
111.00798	7.3
112.01173	0.2
112.03951	0.3
113.54966	0.1
113.83243	0.2
121.06504	0.2
123.00784	0.9
124.01613	3.4
124.98756	0.4
127.00298	2.7
130.04057	0.2
136.98737	4.7
137.99011	0.3
139.00310	6.7
139.03937	0.6
139.11227	0.2
140.01099	10.9
141.01479	0.5
151.00317	0.7
152.98232	0.6
154.69582	0.2
154.99846	0.7
155.03539	0.2
156.05580	0.3
157.05174	0.5
168.00600	14.3
169.00966	0.9
172.00128	0.1
177.90761	0.2
183.02960	100.0
183.10194	1.1
184.03313	6.8
184.06032	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0559
Annotation	D-Fructose
Peak:m/z	Relative Intensity
55.01781	1.4
57.03341	2.1
58.00482	5.9
59.01267	100.0
60.01602	1.7
68.99714	0.5
69.03359	2.4
69.03687	0.4
70.48797	0.9
71.01273	79.7
72.01606	1.6
72.99202	5.3
73.02839	5.9
75.00761	3.1
81.03373	0.9
82.35281	0.4
83.01284	4.5
85.02847	18.0
86.72710	0.4
87.00777	47.0
88.01122	0.9
89.02341	39.3
90.02687	1.0
94.86484	0.4
95.01285	4.2
97.02861	4.0
99.00784	13.0
100.01083	0.6
101.02351	14.3
102.02673	0.6
105.01888	0.5
105.70370	0.4
111.00780	0.6
113.02362	9.8
113.03166	0.5
117.01857	9.5
119.03433	3.1
123.00811	0.7
125.02379	6.2
126.02646	0.4
129.01888	1.5
131.03416	1.3
141.01888	3.5
143.03445	1.3
147.02954	0.5
153.04688	0.4
159.02925	2.8
161.00873	0.8
161.04509	31.3
162.04832	2.2
172.13531	0.5
177.03992	1.4
178.99762	0.8
179.05583	42.1
180.03008	0.4
180.05876	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	175.0245
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
55.01773	10.4
56.59752	2.4
57.03336	4.4
59.01261	25.0
65.36654	2.5
68.99698	7.9
69.03339	8.1
71.01274	43.2
71.56158	4.5
72.99197	29.4
73.02832	17.4
75.00765	28.3
83.01292	17.4
85.02840	26.8
87.00774	100.0
89.02379	2.7
95.01310	5.2
99.00774	24.8
101.02363	7.8
103.00307	6.9
111.00807	8.6
113.02354	21.4
115.00288	56.5
117.01870	6.7
127.00297	55.5
129.01871	6.9
139.00311	5.0
145.01370	7.0
157.01389	6.3
175.02438	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	178.9505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30779	0.3
59.01265	4.1
63.62317	0.3
64.31320	0.4
64.57909	0.4
65.22254	0.3
70.30910	1.2
71.01275	3.5
72.99171	0.4
73.02847	0.6
76.00902	0.4
78.95789	4.0
82.67390	0.4
83.01273	0.4
85.02864	1.3
87.00766	4.0
89.02350	1.3
92.26032	0.3
95.95107	0.4
96.95912	0.6
99.00786	0.6
101.02359	0.8
106.27001	0.4
117.01814	0.6
119.93655	0.4
125.02380	0.8
134.96033	5.5
135.04443	0.6
135.96107	0.7
136.93945	100.0
137.94012	9.8
140.89128	0.4
141.01892	0.4
151.92657	6.5
152.92719	0.9
159.02881	0.4
161.04524	2.4
164.01131	1.2
178.95021	44.7
179.03448	1.0
179.05582	2.8
179.07028	0.7
179.95140	5.8
196.96016	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0088
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
53.00197	1.5
55.01762	5.6
57.03343	4.4
59.01266	6.7
60.99192	1.9
61.54781	0.7
67.01774	13.2
68.68172	0.9
68.99693	3.0
69.03345	2.2
69.87833	4.7
71.01270	100.0
72.01606	2.1
72.99197	4.7
73.02831	14.4
80.99739	1.0
81.03355	1.9
83.01273	9.4
83.04929	3.8
85.02841	5.9
85.06477	2.3
87.00768	4.6
93.03358	50.6
94.03694	2.7
95.15472	0.7
96.99198	3.6
97.02853	0.8
99.00782	36.0
99.04421	2.0
101.02367	0.7
109.02855	1.0
111.00784	11.3
111.04438	12.1
111.08067	1.8
111.72571	0.7
112.98717	17.7
115.00276	4.9
124.97861	1.4
124.98730	21.4
129.01845	2.9
129.05482	1.1
137.02365	4.3
140.98212	1.6
142.99799	68.1
144.00159	2.8
154.99800	2.1
155.03433	3.6
173.00873	16.0
173.04504	11.7
173.08202	1.2
174.01381	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0245
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
55.01770	3.3
57.03332	7.6
59.00997	2.5
59.01266	34.0
66.82378	2.0
67.01752	2.1
68.99689	8.8
69.03346	10.6
69.53910	10.2
69.54338	5.2
71.01269	65.6
72.99198	35.6
73.02827	13.6
75.00760	29.6
83.01279	21.8
85.02840	27.9
85.06496	2.3
87.00771	100.0
89.02321	3.4
93.03329	2.6
95.01267	4.7
96.99216	3.2
98.19807	3.1
99.00771	28.9
101.02329	6.6
103.00245	8.5
107.95397	1.8
111.00782	7.4
113.01215	2.5
113.02370	16.7
115.00287	86.2
115.03927	3.6
117.01830	7.7
124.98726	4.1
127.00286	38.0
129.01839	7.4
130.58813	2.2
131.03441	5.8
132.02928	2.7
139.00298	5.5
145.01350	7.7
147.04478	2.8
157.01360	8.9
164.64677	2.2
175.02493	39.9
175.03931	7.2
175.06143	11.5
176.03346	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	173.0088
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
52.76872	1.0
53.00195	3.5
54.23457	1.0
55.01768	8.0
57.03340	6.6
59.01268	8.1
67.01779	9.2
68.99692	4.7
69.26600	1.2
69.70253	7.1
71.01271	100.0
72.01598	2.1
72.99201	7.3
73.02838	10.5
79.83366	1.1
80.99722	2.0
83.01279	11.7
83.04917	2.3
85.02842	16.3
86.58044	0.9
87.00765	8.0
88.03941	1.0
93.03361	21.4
96.99208	4.7
99.00782	39.3
99.04401	1.8
101.02333	2.3
111.00791	52.5
111.04449	6.7
112.01096	1.9
112.98721	33.5
114.12494	1.0
115.00275	4.3
120.80351	1.0
124.98726	28.9
127.00188	1.1
127.64069	1.2
129.01837	5.5
137.02365	2.3
140.98215	2.6
142.99803	84.7
143.84421	1.0
144.00089	3.2
154.67082	1.1
154.99786	2.9
155.03426	1.5
162.44975	1.0
173.00874	20.9
173.04486	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	171.0296
Annotation	5-Methylmaleylacetate
Peak:m/z	Relative Intensity
55.01759	0.4
57.03328	0.6
58.52913	0.2
59.01270	2.5
62.74585	0.2
65.03851	8.8
67.01778	4.6
68.01287	0.3
68.99713	1.5
69.02959	0.3
69.03345	8.1
70.74217	0.8
71.01270	9.0
71.04919	1.6
72.99191	0.7
78.95796	9.8
79.98929	0.4
80.02570	0.3
80.99698	0.8
81.03350	21.1
82.03688	1.1
83.01282	1.2
83.04909	1.4
85.02839	3.0
85.99987	0.5
87.00788	0.5
91.01801	1.4
95.01270	0.8
96.95897	0.3
96.96871	2.7
96.99226	0.9
97.02849	1.9
99.00774	2.7
99.04421	3.9
101.02357	0.3
103.16489	0.2
108.02081	8.4
109.02863	100.0
110.02434	0.5
110.03183	3.9
111.00797	2.8
112.00288	0.3
113.02365	0.7
113.50975	0.2
121.26979	0.2
124.98719	2.0
125.02363	4.1
126.01875	0.2
127.00299	0.9
127.03934	61.0
128.04282	2.9
141.01878	0.3
142.99789	0.5
143.03442	1.5
152.96521	0.3
152.97115	0.2
152.98276	2.1
153.01874	4.5
170.99361	2.3
171.00597	1.0
171.02968	12.5
171.06592	0.4
171.10211	1.4
172.03308	0.6
180.31429	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0139
Annotation	Gallic acid
Peak:m/z	Relative Intensity
55.01773	0.8
57.03342	1.7
59.01267	1.3
65.00214	0.6
67.01786	1.2
68.99713	1.1
69.03342	5.4
69.03696	0.5
69.74619	1.1
69.75022	0.7
71.01273	3.2
74.70683	0.3
78.95818	0.6
79.01785	0.5
80.96427	1.0
81.03366	2.0
83.01291	1.1
85.02850	2.0
95.01281	1.5
96.95930	0.6
96.96858	0.5
97.02859	5.1
98.19891	0.6
99.00778	3.1
99.43366	0.4
107.01305	1.6
109.99982	0.7
111.00806	0.5
113.02364	3.0
123.00857	0.6
124.01601	1.0
125.02372	100.0
125.09663	0.4
125.99519	1.0
126.02707	6.0
139.00328	0.5
142.81142	0.3
150.97034	1.6
151.00278	0.6
153.99011	0.3
168.98262	1.9
169.01389	37.4
170.01717	2.9
170.04587	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.7
58.02866	0.3
59.01263	6.7
60.09013	0.2
65.00217	0.9
65.01351	0.4
65.99734	0.4
66.03381	0.9
66.85150	0.2
67.01778	1.0
68.84273	0.3
68.99734	0.4
69.03339	4.8
69.52917	1.9
79.01784	0.5
80.02564	0.3
81.03343	1.8
83.01283	2.4
83.02410	0.3
86.02401	0.3
87.95406	0.2
90.00861	0.5
95.01307	1.3
95.52928	0.2
97.02856	4.6
97.06493	0.4
98.02388	0.5
100.03909	0.2
107.01290	1.5
110.02396	2.1
115.02911	0.7
116.02500	0.7
123.00794	0.7
124.01569	1.1
125.02369	100.0
125.09658	0.8
125.99505	0.7
126.02702	5.0
127.04977	0.5
129.03255	0.3
134.95964	0.2
141.01930	0.5
142.04059	1.8
143.02559	0.4
143.03578	1.3
143.04561	0.2
151.00319	5.6
152.00739	0.3
153.99026	0.6
168.03107	0.3
169.01381	42.8
169.05060	1.7
169.08713	0.5
170.01706	2.6
170.04684	0.8
175.17651	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80480	0.3
56.84598	0.4
58.02863	100.0
59.01253	0.4
59.03181	1.7
61.98729	0.4
65.00213	0.4
67.01785	0.5
68.99695	0.8
69.03349	2.2
70.02881	0.7
71.08590	0.9
81.03378	0.7
83.01279	0.8
85.02834	0.5
95.01326	0.6
95.48003	0.3
96.99227	0.4
97.02857	2.6
107.01311	0.4
109.02898	0.4
123.00810	0.5
124.01591	0.5
124.04782	0.5
125.02366	42.1
125.09657	1.1
128.19543	0.3
140.30478	0.3
141.01968	0.4
151.00354	0.8
151.11249	0.3
153.01532	0.8
153.99088	0.5
162.64383	0.3
168.03845	0.5
168.13866	9.8
169.01375	16.2
169.05057	0.7
169.08792	0.4
169.12253	0.5
169.14268	1.0
185.66939	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0506
Annotation	Orthoform
Peak:m/z	Relative Intensity
54.28871	0.2
66.03374	0.3
67.01766	0.3
68.70276	0.2
69.36796	1.6
71.01247	0.2
74.15450	0.2
81.03339	0.4
81.04453	0.2
91.01806	0.3
92.99715	0.3
93.03352	0.7
95.01298	1.0
95.04922	0.6
97.02856	0.3
97.04009	0.2
98.19759	0.3
102.20848	0.2
103.26418	0.2
108.02075	2.9
109.02861	0.3
111.00802	0.3
121.02872	10.0
122.02412	0.3
122.03201	1.6
122.06020	0.4
123.00817	1.3
123.04449	3.3
123.08101	0.4
124.01566	0.6
124.03941	0.2
124.05093	0.3
136.05232	9.9
137.02370	0.3
137.05574	0.6
138.05534	0.3
139.03928	1.1
151.00316	0.9
151.02690	20.1
152.01100	7.6
152.02942	1.3
164.98253	0.3
166.05048	100.0
167.02344	0.1
167.03455	6.1
167.05379	7.2
167.07051	0.6
183.01695	9.2
184.02034	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0267
Annotation	Vanillate
Peak:m/z	Relative Intensity
54.83635	0.7
55.01756	1.8
58.02843	0.9
65.00211	1.2
65.01318	1.9
65.96960	0.8
65.99723	1.2
67.01780	1.5
67.02882	1.3
68.01311	1.4
68.99715	1.7
69.03333	2.6
69.50664	7.3
71.04894	1.1
81.03355	9.6
81.04417	0.8
82.02885	1.0
82.03964	1.3
83.01266	6.1
83.02382	1.4
87.34956	0.8
93.03329	2.2
94.02853	0.8
95.01269	5.4
95.02408	1.0
95.04910	3.7
97.02850	5.3
97.03969	2.8
99.04417	11.5
108.02092	4.7
109.02866	5.9
109.03999	1.7
111.00761	4.2
121.02854	1.0
122.02370	1.1
122.03201	3.6
122.06007	1.4
123.00829	7.8
123.04433	8.0
124.01548	2.7
124.05039	2.3
125.02364	3.5
125.03490	1.6
126.46617	0.9
136.98727	1.9
137.02376	44.1
137.03450	2.1
138.03174	100.0
139.00311	7.7
139.03830	5.7
149.02261	0.9
151.00276	3.0
152.01102	11.5
164.98183	1.2
166.02684	16.3
166.04977	1.6
166.06230	1.0
166.99841	5.1
167.02119	1.3
167.03448	23.6
167.07086	1.6
170.02080	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
59.01263	3.1
65.01331	1.6
65.99745	1.4
71.01269	1.4
71.10477	1.3
72.24758	0.5
78.54015	0.5
82.04004	1.9
83.02394	0.9
85.02859	1.4
85.55290	0.5
89.02348	0.9
91.01790	1.1
91.02935	0.8
91.05453	0.6
92.04951	0.7
93.03382	3.9
101.02354	1.0
111.05260	0.5
117.03381	0.7
119.01321	1.3
119.04949	100.0
120.01987	0.7
120.04443	1.5
120.05297	7.2
121.02794	0.6
121.04007	1.4
121.05130	4.4
122.03520	1.5
134.03587	0.7
135.00839	1.2
135.04453	12.1
136.04027	0.9
136.05035	2.5
137.03487	1.3
145.02849	0.9
146.03506	0.5
148.01624	2.1
149.02373	1.2
159.95753	0.5
162.89305	0.8
163.00291	4.6
163.03960	20.2
163.06181	1.9
163.07579	1.0
164.01018	0.8
164.04561	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	165.04
Annotation	L-Ribonic acid
Peak:m/z	Relative Intensity
55.01770	0.4
55.36642	0.2
57.03328	0.7
58.00489	0.4
59.01264	7.9
68.99710	0.3
70.71280	0.6
71.00887	0.5
71.01270	6.9
72.99201	4.4
73.02836	3.6
75.00764	13.3
79.95633	1.2
80.96409	0.4
83.01284	0.4
85.02851	0.9
87.00773	100.0
88.01107	2.8
89.02337	2.9
99.00784	11.2
100.01126	0.3
101.02355	4.1
103.00278	0.4
105.01844	81.4
106.02177	2.0
106.97997	0.4
115.00270	0.4
117.01859	3.3
119.03419	1.2
121.02866	0.4
129.01875	0.7
135.02939	2.2
137.02411	0.2
147.02933	8.2
148.03291	0.5
165.04001	62.5
166.01715	1.4
166.04306	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	152.0348
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
50.82210	0.2
59.01262	0.8
64.72889	0.2
65.00206	0.3
65.99740	0.3
66.03378	2.0
67.01788	0.3
67.02900	0.5
68.01287	0.4
68.99709	0.3
69.03329	0.4
70.90822	0.3
70.91154	0.4
72.04433	2.7
79.95641	0.3
80.96407	0.8
81.03347	1.6
81.04461	0.4
82.02878	0.4
82.04017	0.4
83.01285	0.4
91.01814	0.2
95.01284	0.4
97.02824	0.3
107.01324	0.3
107.64597	0.2
108.02081	2.6
108.04468	0.5
109.02865	35.4
109.99087	1.0
110.00008	1.9
110.03564	0.4
111.01926	0.3
121.02885	0.8
122.03658	34.2
123.04024	1.9
124.03958	0.4
124.04806	0.9
125.02355	1.8
125.03329	0.4
134.03555	0.3
137.01953	1.4
137.99522	4.2
151.00302	0.7
151.11259	0.4
152.03474	100.0
153.01894	13.1
153.03812	6.0
153.05484	0.9
153.12805	0.9
171.13960	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01272	4.5
63.02293	1.6
65.01339	5.8
65.99739	7.5
66.03402	0.9
67.01776	1.7
67.02905	5.0
68.01290	1.8
68.99690	1.2
69.03343	0.9
70.02243	4.0
71.01273	7.9
73.02840	1.2
78.03409	1.0
79.02910	1.3
80.01318	0.8
80.04938	0.9
81.03339	1.1
81.04508	0.7
82.02886	1.3
83.01307	1.0
83.02400	1.7
89.02354	4.4
91.02912	1.5
93.03371	2.1
94.02850	0.8
95.01293	4.3
95.02418	1.5
95.04908	1.0
95.19411	0.8
96.00817	1.3
101.02359	2.5
101.37135	0.8
104.02394	0.9
106.04026	2.2
106.83815	0.8
107.01339	1.2
107.02437	1.1
107.04955	7.5
108.02045	9.1
108.04451	1.3
108.05589	1.8
109.00340	1.6
109.02892	1.1
109.03971	4.1
120.01984	1.7
121.02879	5.6
122.02420	0.9
122.03716	8.8
123.00813	7.0
123.01936	8.7
123.04456	19.2
123.05392	1.3
124.01575	1.5
136.01598	58.9
137.02325	1.1
139.03929	2.8
149.02419	5.0
150.00114	2.6
150.03166	100.0
150.06593	2.4
151.00331	3.1
151.03981	30.8
151.06067	2.5
151.07510	1.0
154.02678	2.2
157.26256	0.8
158.64430	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.045
Annotation	xylulose
Peak:m/z	Relative Intensity
50.77955	0.5
57.34194	0.5
59.00993	0.8
59.01265	10.6
66.04291	0.5
69.03351	1.6
69.86810	1.0
69.87215	2.6
71.01273	30.7
72.01609	0.7
73.02839	22.6
73.03249	1.3
74.03140	0.6
75.00746	0.6
85.02836	1.5
87.00780	10.1
89.02340	100.0
90.02652	2.8
98.20541	0.7
101.02319	1.0
103.03912	12.9
121.02885	1.2
127.24224	0.5
131.03436	7.7
149.04503	58.8
150.04831	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	150.0318
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01334	0.6
65.99756	0.9
69.83057	1.3
69.83472	1.2
71.01280	0.5
75.22523	0.4
79.92029	0.4
92.02479	0.4
93.03362	0.9
95.01273	0.7
107.01265	0.5
107.04887	0.7
108.02036	0.9
121.02880	1.4
122.03672	4.9
123.00806	2.9
123.01904	0.9
123.04490	2.2
124.01576	0.7
136.01598	5.4
137.02377	0.5
139.03940	2.3
149.02377	6.0
150.03175	100.0
151.03551	8.4
154.02727	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59486	2.0
53.00206	15.1
55.01774	3.3
57.03323	6.1
59.01251	9.4
60.88903	2.1
68.99697	4.8
69.03341	8.6
71.01270	68.0
71.01665	3.5
71.11867	4.1
72.01591	2.0
72.99185	4.3
73.02820	4.0
80.99696	4.5
81.03349	4.0
83.01287	9.9
84.88025	2.1
85.02840	23.0
87.00764	18.5
92.96788	2.2
96.99203	15.2
97.02859	7.8
99.04434	4.1
112.38402	2.1
112.98711	21.9
113.02345	5.7
115.00276	8.5
120.41979	2.5
124.98721	54.5
124.99643	2.6
125.02363	9.4
125.06007	2.5
140.98250	8.4
142.99799	100.0
143.03467	14.1
143.10710	11.1
144.00125	7.4
144.04488	8.5
144.06543	4.7
149.26923	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	147.0294
Annotation	2-Dehydro-3-deoxy-L-arabinonate
Peak:m/z	Relative Intensity
57.03339	28.2
59.01263	94.5
71.01276	100.0
71.58118	10.6
72.99200	19.9
75.00761	31.4
78.29040	5.6
85.02843	37.0
85.36184	5.5
87.00767	39.6
89.02329	13.4
96.88570	5.5
99.00793	46.2
101.02342	14.1
103.03904	6.6
111.00726	7.6
117.01853	9.1
129.01859	37.4
147.02910	22.6
147.04427	17.2
148.05118	14.4
152.17624	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	142.998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87608	1.5
52.25255	1.6
53.00202	13.3
55.01776	1.9
57.03346	2.0
59.01252	5.3
60.21616	1.3
66.83807	1.6
67.56573	1.5
68.99692	4.9
69.03338	3.1
70.71004	3.0
70.71384	3.0
71.01273	51.2
71.04875	1.6
72.99197	4.1
73.02834	1.5
80.99720	6.0
82.02888	3.3
83.01288	1.9
85.02840	13.2
87.00774	12.6
96.99222	16.3
97.02851	2.5
99.04430	2.7
102.05508	5.1
111.00811	8.0
112.98718	28.5
115.00296	8.2
124.98732	52.1
125.02376	3.0
125.99139	3.6
140.98228	9.6
142.99800	100.0
143.03481	3.9
144.00151	6.2
144.04454	3.5
144.06638	2.6
158.99344	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	142.998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00207	16.4
53.75789	1.2
58.00484	1.3
59.01273	7.0
68.99696	4.5
69.03336	2.6
69.45490	6.9
69.45898	2.5
71.01270	45.1
71.04900	1.5
72.99198	3.6
73.02856	1.6
80.99716	4.8
82.02862	4.1
84.57457	1.1
85.02858	7.3
87.00774	10.6
96.99213	19.7
97.02837	2.6
98.19876	2.7
99.00763	1.8
99.04420	4.3
102.05541	1.3
112.98721	27.4
113.02375	1.5
113.99053	1.5
115.00273	4.1
118.57610	1.0
124.98733	52.1
125.02324	1.8
125.99092	1.5
134.92824	1.0
140.98219	9.4
142.99800	100.0
143.03438	4.8
144.00136	6.1
144.02875	1.2
144.04506	12.8
144.06561	1.2
145.32941	1.1
158.99367	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	138.019
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
55.01755	0.8
58.62089	0.3
65.01331	0.3
65.99707	0.3
66.00530	0.3
66.00860	0.8
67.01778	1.6
67.02892	0.3
67.49043	0.3
68.01298	0.8
68.99706	0.4
70.93485	0.5
70.93849	0.6
72.71932	0.3
76.84586	0.3
76.92653	0.2
83.01286	0.6
84.14259	0.3
93.03377	0.4
94.03687	2.6
95.01280	0.9
95.02405	0.4
96.00808	0.5
96.05567	1.2
97.03962	0.6
108.02078	51.5
109.02423	2.6
110.02376	0.5
111.00787	6.4
111.01914	0.7
134.88385	0.3
136.00362	0.4
138.01900	100.0
139.00327	4.3
139.02245	6.6
139.03947	0.7
139.04971	0.5
156.41106	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0188
Annotation	cis,cis-4-Hydroxymuconic semialdehyde
Peak:m/z	Relative Intensity
55.01789	5.6
57.03338	10.0
59.01258	3.3
67.01785	5.4
68.01310	1.6
68.99699	12.2
69.03345	33.0
70.02863	1.3
70.26789	4.1
70.27155	1.9
71.01273	35.0
72.01628	1.3
72.99185	1.8
73.02840	11.3
78.95806	8.1
79.01771	2.0
81.95248	1.3
83.01297	6.8
84.47274	1.1
85.02843	23.3
87.37340	1.0
95.01290	37.9
96.01628	1.7
97.02855	34.6
98.02400	3.0
98.03185	1.7
99.00782	88.8
100.01127	4.1
111.00808	9.1
111.95597	2.7
112.98721	19.8
113.02361	14.9
113.98931	1.1
115.82420	1.2
123.00806	37.3
124.01160	2.5
125.02400	2.4
125.99512	1.6
131.53827	1.2
139.00311	1.7
140.01060	1.4
140.98250	16.8
141.01877	100.0
142.01276	2.3
142.02328	6.8
142.04044	2.7
142.05058	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0136
Annotation	Malate
Peak:m/z	Relative Intensity
59.01265	1.4
65.01313	0.0
70.75211	0.1
71.01270	67.8
72.01604	2.1
72.99198	15.9
73.99551	0.4
75.00770	0.1
87.00771	1.3
87.04443	0.1
89.02340	7.9
90.02695	0.2
112.63965	0.0
115.00288	100.0
116.00619	4.2
117.56720	0.0
133.01355	27.5
134.01686	1.3
134.03510	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	135.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	9.7
64.01810	2.0
65.01321	2.5
65.99741	4.9
68.01289	1.1
68.85851	1.0
69.70364	7.5
71.01270	6.2
71.50706	1.2
72.40002	1.1
72.99197	16.4
73.02868	2.4
75.00766	100.0
76.01125	1.9
78.95781	6.5
80.96431	1.4
85.02844	3.6
87.00780	15.0
89.02345	10.1
92.04961	1.4
93.03374	2.6
96.96870	12.6
106.04046	1.8
107.04948	4.2
108.02085	4.8
108.04449	1.5
117.01827	2.8
134.03687	1.3
134.89384	7.7
135.01973	2.1
135.02925	39.7
135.04454	26.9
135.97054	7.5
136.00349	1.2
136.01556	2.8
136.03984	3.9
136.04929	1.5
147.48828	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64166	2.8
55.01761	6.7
58.00475	4.1
59.01265	100.0
60.01592	3.4
63.47464	2.8
65.01342	5.2
65.99735	3.9
70.60510	8.8
71.01273	62.6
71.25289	2.5
72.99191	11.9
75.00807	3.2
83.01283	4.5
87.00755	3.2
96.39005	2.7
101.02368	2.8
119.02411	8.8
119.03456	5.6
119.04921	13.5
120.01949	7.9
120.05579	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	129.0186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	13.6
55.14851	2.4
55.82851	2.3
55.88473	2.2
57.03338	58.8
59.01277	6.3
60.22633	2.5
65.01343	3.2
67.01779	100.0
67.56821	2.4
68.99709	12.0
69.66804	2.6
70.01675	2.5
70.91987	2.4
71.01279	12.0
71.56046	3.8
72.99192	7.2
73.02856	6.9
74.72649	2.6
82.05431	2.6
83.01283	12.3
83.04892	2.5
85.02844	53.8
85.06525	3.0
87.00794	5.1
88.03939	40.7
89.01366	3.1
99.00797	5.8
101.02384	4.8
111.00794	5.7
129.01863	45.5
130.04065	27.5
130.04990	6.1
130.08730	4.1
143.06369	2.7
149.74266	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	130.0867
Annotation	beta-Alaninebetaine
Peak:m/z	Relative Intensity
55.01784	1.2
55.41317	1.1
56.66429	1.2
57.03333	7.6
58.00510	1.5
59.01263	11.2
65.01347	1.7
68.02140	1.4
69.03352	2.9
70.47650	4.8
71.00893	2.8
71.01273	47.4
72.99195	1.8
73.02839	73.7
75.00783	2.9
78.11148	1.1
80.70243	1.3
85.02854	18.1
85.06482	3.0
87.00777	1.6
87.04412	11.8
88.03959	3.5
89.01370	1.8
101.02359	3.3
103.03927	3.0
104.85583	1.2
108.52825	1.2
113.02362	4.1
130.03104	2.0
130.04036	14.3
130.08673	100.0
131.03505	20.1
131.06999	1.3
131.09015	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	115.0029
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45645	2.2
59.01263	9.9
69.54208	7.2
69.54636	9.2
71.01273	100.0
71.04910	4.5
72.01618	2.8
72.70612	2.3
73.03974	5.2
74.02351	3.8
80.04465	2.0
87.00779	6.1
89.01360	3.2
98.20524	4.3
115.00270	13.1
115.03923	4.3
116.02493	5.5
116.07106	28.6
126.96433	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	117.0186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	17.8
70.12661	4.4
71.01273	19.7
71.04908	2.2
73.02841	100.0
74.02346	1.6
74.03181	3.2
75.00768	2.8
87.00783	7.3
90.00877	3.8
91.02907	1.6
99.00785	9.8
99.92481	1.8
102.04833	1.1
110.46744	1.0
116.92804	6.1
117.01865	22.4
117.03262	1.1
117.05480	1.7
118.02913	7.3
118.04034	2.6
120.31917	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.8
59.01266	2.3
59.72783	0.4
64.90891	0.3
70.47096	1.1
70.47513	0.6
71.01270	1.4
71.04869	0.4
71.16676	0.3
72.00796	0.4
73.02836	100.0
74.03173	3.2
87.00748	0.4
91.02898	0.9
99.00784	9.4
99.92500	1.7
100.01136	0.4
116.92777	7.9
117.01859	18.4
117.92783	0.6
118.02175	0.6
118.02944	0.7
118.04001	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	4.4
65.85546	0.4
67.01777	5.6
68.02091	0.5
70.20341	0.5
71.01280	0.8
71.58186	0.6
71.58544	0.4
78.95796	100.0
79.95626	0.8
83.01276	14.5
93.28838	0.4
101.05299	0.5
110.97586	3.6
110.98371	3.4
111.00792	18.7
112.01146	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
79.99500	0.3
82.70317	0.3
91.01748	0.6
92.99686	1.3
95.00728	0.4
95.01286	7.5
96.01606	0.3
99.92416	0.4
107.01290	0.5
109.02855	0.7
111.00763	1.1
113.62660	0.4
117.03342	1.5
119.04931	0.9
121.02846	0.6
123.00780	2.1
125.02365	3.8
129.03412	0.6
131.01274	0.6
131.04988	0.4
133.02873	2.0
135.00816	0.6
137.02361	1.4
139.00264	1.4
140.01031	0.4
145.02884	3.8
147.00844	0.5
147.04420	1.4
149.02324	0.9
151.00330	0.7
157.02887	1.5
159.00772	0.8
159.04401	0.8
161.02385	4.0
163.00317	5.5
163.03951	2.3
164.00914	0.6
164.98254	6.6
165.01865	1.5
166.99838	0.9
169.01410	3.1
171.00829	1.3
171.04436	0.4
173.02368	4.0
173.91435	0.4
175.00296	0.6
175.03940	1.9
176.01097	0.8
177.01852	2.8
178.02451	0.4
178.99773	1.5
182.78741	0.4
182.99313	1.3
184.00002	0.6
185.00902	0.8
185.02403	3.5
187.00357	2.0
187.03973	1.0
189.01891	6.4
190.02603	0.8
190.99815	0.9
191.03523	2.5
193.01369	1.0
194.99187	0.5
199.00333	1.5
199.03983	0.4
200.01045	0.8
201.01935	5.1
202.02310	0.4
202.99771	0.9
203.03482	2.9
205.01424	1.8
206.99297	0.8
207.02899	0.4
209.00853	1.3
211.03906	0.4
213.01938	1.9
214.99863	4.0
216.00522	1.2
217.01434	6.7
218.01974	0.5
219.02991	1.4
225.00429	0.8
226.99835	1.9
227.03607	0.6
228.00529	0.7
229.01434	9.6
230.01997	1.3
230.99344	1.6
231.02982	2.5
231.99936	0.8
233.00922	1.8
234.01382	0.5
234.98943	0.4
235.02359	0.5
241.01401	0.4
242.99400	5.9
243.02994	0.9
244.00009	1.5
245.00940	11.1
246.01547	0.8
247.02513	4.7
248.03001	0.6
249.04083	2.1
254.99319	1.1
257.00946	6.1
258.01541	1.6
258.98859	0.9
259.02621	1.0
259.99597	0.7
261.00476	3.6
262.00763	0.5
263.01965	0.7
269.01071	0.5
270.98904	13.3
271.02185	0.7
271.99393	1.4
273.00455	11.8
274.01138	3.0
275.02036	13.6
276.02328	0.9
282.98599	0.6
283.99722	2.7
285.00333	2.8
286.98407	1.8
287.01947	1.1
287.98975	0.5
288.99976	3.2
290.00540	0.6
291.01514	3.5
297.00641	0.6
298.98410	20.5
299.99139	10.4
300.99957	93.0
302.00262	7.8
303.00571	0.6
310.98404	1.2
313.00006	1.4
314.00552	0.4
314.97882	2.2
315.01462	1.0
315.98578	5.2
316.99445	100.0
317.99768	6.2
319.00940	0.4
326.97739	0.9
327.01456	0.7
328.99582	0.8
331.00809	0.7
338.97638	0.5
343.00974	0.8
433.04575	0.5
445.04239	0.6
448.61392	0.4
461.03946	1.3
463.05338	5.9
464.05759	0.4
479.04489	0.5
481.06052	1.0
501.03220	1.9
519.04486	0.9
595.04083	0.9
613.04993	1.1
631.05933	0.8
633.07794	2.7
671.05164	2.3
717.05231	0.5
737.06439	0.6
747.05743	0.5
763.05042	1.2
765.05554	3.3
781.05902	0.8
783.07062	1.4
784.07245	0.7
803.03638	2.0
804.03223	0.5
821.04224	2.1
823.07251	0.5
879.06677	0.4
897.06769	2.2
905.07062	0.6
907.08905	0.8
913.04492	0.9
915.05383	1.7
916.06891	0.5
931.04028	0.5
933.06659	2.6
934.06409	0.8
949.06012	1.6
951.07617	4.6
952.08783	0.9
953.03967	1.0
957.08521	0.6
971.04224	1.9
989.05164	3.2
990.05774	0.8
1047.06104	0.6
1065.07300	4.3
1066.05811	0.6
1089.07581	1.3
1107.08813	1.5
1108.08765	0.5
1125.08997	5.1
1126.10120	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03347	0.2
83.01300	0.2
89.03864	0.2
90.46187	0.1
92.99735	1.8
95.01289	9.2
97.02837	0.2
98.20629	0.2
99.00748	0.2
101.03909	0.2
107.01311	0.5
109.02877	0.5
111.00838	0.3
113.03893	0.2
117.03378	1.0
119.04961	0.4
120.99182	0.2
123.00819	1.7
124.01575	0.2
125.02377	2.8
129.03398	0.6
131.04958	0.4
131.75868	0.2
132.02113	0.2
133.02872	0.9
135.04407	0.3
137.02419	1.3
139.00310	0.4
141.03458	0.2
143.01352	0.2
145.02884	2.5
147.00816	0.4
147.04442	1.5
149.02420	0.4
151.00279	0.3
157.02899	1.3
158.03639	0.2
159.04483	1.1
160.01610	0.3
161.02394	1.5
163.00325	2.7
163.03979	1.4
164.01064	0.5
164.04300	0.2
164.98256	6.5
165.01875	1.4
165.98605	0.2
166.99857	0.4
169.01392	2.4
169.02800	0.4
171.00851	0.5
172.01595	0.5
173.02396	3.3
174.03180	0.3
175.03981	1.5
176.01161	0.4
177.01811	0.9
178.99817	0.5
183.04364	0.2
185.02425	4.0
186.03038	0.3
187.00372	0.6
187.03976	0.7
188.01062	0.2
189.01929	1.9
190.02708	0.8
190.99832	0.9
191.03461	1.7
193.01427	0.4
194.99339	0.3
198.03214	0.2
199.00375	0.5
199.03957	0.4
200.01120	0.7
201.01917	4.9
202.02495	0.3
203.03468	2.9
204.03899	0.2
205.01401	0.6
206.99184	0.2
208.00032	0.3
209.00867	1.6
211.03966	0.2
212.01190	0.2
213.01927	1.5
214.02757	0.4
215.00044	0.4
215.03508	0.4
216.00635	0.8
217.01424	3.0
218.02121	0.6
219.02921	1.0
221.00964	0.2
224.05156	0.2
226.02652	0.2
226.99886	0.9
227.03572	0.4
228.00618	1.0
229.01436	9.0
230.01930	0.6
231.02994	2.5
232.03481	0.2
233.00917	0.4
233.98061	0.8
234.98871	0.5
239.03555	0.4
240.00635	0.3
241.01477	0.6
242.99379	1.0
243.03056	0.7
244.00166	0.6
245.00955	6.1
245.04617	0.3
246.01382	0.5
247.02466	2.4
247.04826	0.3
248.03183	0.5
249.04073	2.3
254.99367	1.0
255.03185	0.3
256.00079	0.4
257.00967	7.7
258.01743	1.6
259.02509	0.9
259.99612	0.2
261.00485	0.7
267.02908	0.2
269.00922	0.7
269.04590	0.2
270.98917	2.7
271.02502	0.5
271.99542	0.6
273.00485	6.1
274.01184	1.7
275.02048	13.2
276.02356	0.6
282.99097	0.2
283.02603	0.3
283.99692	3.6
285.00455	3.0
285.03772	0.2
286.00931	0.3
287.02036	0.7
288.99939	0.3
291.01550	0.4
298.98422	2.5
299.01852	0.4
299.99188	8.8
300.99960	100.0
302.00302	4.7
310.98575	1.2
311.01910	0.3
313.00015	1.5
314.00690	0.5
315.01514	1.3
316.99396	0.4
319.00858	0.3
326.97827	0.5
327.01617	0.3
327.05161	0.2
328.99451	0.4
338.98029	0.4
343.00864	1.2
356.98880	0.4
401.05322	0.3
445.04147	0.6
456.36047	0.2
461.03906	0.3
463.05365	2.4
473.03928	0.5
475.05560	0.4
501.03210	1.3
613.04987	0.5
615.05725	0.3
631.05823	0.5
633.07697	0.8
643.06262	0.3
671.05341	1.7
672.06567	0.2
689.05884	0.2
765.06396	0.8
775.04578	0.3
803.04205	0.9
825.07684	0.6
919.09583	0.2
933.06622	5.3
934.07306	0.7
935.08209	16.7
936.08606	2.0
945.06177	0.9
947.07886	0.9
973.06128	13.7
974.05841	1.5
991.06482	0.5
1049.07703	10.6
1050.07922	1.8
1109.09839	7.6
1110.09448	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01795	0.2
83.01277	0.2
85.14311	0.1
85.20566	0.1
85.77143	0.1
89.03856	0.3
91.01778	0.2
91.42089	0.1
92.99727	1.9
93.03362	0.3
95.01292	10.0
96.01614	0.3
97.02864	0.2
98.19803	0.1
99.00792	0.1
105.03376	0.1
107.01316	0.4
107.38322	0.1
109.02863	0.5
109.53667	0.1
111.00793	0.3
115.05356	0.2
117.03386	0.7
119.01273	0.2
119.04947	0.4
120.99230	0.2
121.02861	0.4
123.00817	1.5
124.01564	0.2
125.02374	3.0
126.02678	0.1
129.03372	0.5
131.04979	0.3
132.02106	0.2
133.02902	0.6
134.00029	0.2
135.00797	0.3
136.98619	0.2
137.02383	1.3
139.00281	0.4
141.03419	0.3
143.01335	0.2
143.04907	0.2
145.02902	2.7
146.03278	0.1
147.00815	0.2
147.04443	1.4
149.02364	0.3
151.00310	0.5
151.03967	0.1
153.01891	0.2
154.99809	0.2
156.86787	0.1
157.02916	1.3
158.03607	0.2
159.00798	0.3
159.03322	0.1
159.04454	0.8
160.01610	0.2
161.02397	1.6
161.99605	0.2
162.03073	0.1
163.00327	3.3
163.03946	1.3
164.00955	0.1
164.04681	0.1
164.98264	5.6
165.01880	1.7
165.98692	0.1
166.99792	0.3
169.01398	2.7
169.02788	0.2
171.00822	0.3
171.04485	0.3
172.01624	0.3
173.02411	3.0
174.03055	0.3
175.00362	0.2
175.03975	1.7
176.01097	0.3
177.01926	0.9
177.05582	0.1
178.99791	0.4
179.03488	0.2
185.02411	4.3
186.02931	0.2
187.00311	0.6
187.03951	0.7
189.01909	2.8
190.02692	0.9
190.99826	0.8
191.03470	1.8
192.00673	0.2
193.01392	0.5
194.99213	0.2
197.02429	0.2
197.05884	0.1
199.00308	0.4
199.04008	0.3
200.01166	0.5
201.01927	5.2
202.02551	0.5
203.03505	3.0
204.00702	0.2
204.04021	0.1
205.01468	0.6
206.99478	0.2
207.02876	0.1
208.00085	0.2
209.00893	1.7
211.00444	0.3
211.04048	0.2
212.00941	0.1
213.01958	1.7
213.05392	0.1
214.02649	0.3
214.99887	0.6
215.03485	0.5
216.00661	0.7
217.01439	2.9
218.02159	0.6
218.99362	0.1
219.02942	1.1
221.04584	0.4
225.05653	0.1
226.99869	1.0
227.03503	0.3
228.00650	0.7
229.01439	9.6
230.01997	0.7
230.99496	0.2
231.03018	2.8
232.03392	0.2
232.97232	0.2
233.00958	0.4
233.98105	0.9
234.98901	0.5
235.02519	0.2
237.00282	0.2
240.00603	0.3
241.01418	0.8
241.05197	0.2
242.02023	0.3
242.99406	1.1
243.03072	0.4
244.00121	0.8
245.00954	6.8
246.01483	0.7
247.02490	2.1
248.03241	0.6
249.04062	2.3
251.03601	0.1
253.01192	0.1
254.99329	1.1
255.03174	0.3
256.00006	0.5
257.00970	7.9
258.01682	1.7
259.02408	0.7
261.00507	0.6
267.03049	0.2
269.01028	0.6
269.04559	0.2
270.98911	2.8
271.02441	0.4
271.99628	0.7
273.00491	6.1
274.01166	1.9
275.02051	15.0
276.02328	0.6
279.03049	0.1
281.04852	0.2
282.98831	0.4
283.02475	0.4
283.99731	3.2
284.02863	0.3
285.00479	3.4
285.03772	0.2
286.01059	0.2
287.02032	0.4
287.05295	0.1
289.00201	0.2
290.00720	0.2
291.01569	0.6
297.00629	0.2
297.03970	0.2
298.01276	0.2
298.98492	2.5
299.01978	0.4
299.05362	0.2
299.99203	8.5
300.99963	100.0
302.00296	6.0
302.03772	0.3
303.01205	0.3
309.04291	0.2
310.98398	1.5
311.01736	0.2
312.99960	1.5
313.03290	0.2
314.00690	0.4
315.01532	1.2
315.04865	0.2
316.99423	0.3
317.02960	0.2
319.01041	0.3
323.02164	0.3
326.98157	0.6
327.01483	0.2
327.98611	0.2
328.99536	0.5
329.03055	0.3
331.01114	0.2
338.97919	0.3
341.02960	0.2
343.00992	1.3
343.04642	0.2
353.05182	0.2
356.98813	0.2
383.04544	0.2
419.06360	0.2
445.04318	0.5
447.05933	0.2
461.03519	0.2
463.05286	1.9
473.03662	0.3
475.05270	0.2
501.02914	0.6
505.06033	0.2
571.68744	0.1
613.04865	0.2
631.05646	0.2
633.07458	0.5
671.05463	0.9
765.05835	0.4
803.03821	0.3
825.08270	0.3
933.06720	2.0
934.07874	0.4
935.08203	7.3
936.08075	1.2
945.06061	0.6
947.08563	0.2
973.06140	6.2
974.06451	1.6
991.06915	0.2
1049.07813	4.4
1050.08130	1.0
1109.09705	3.0
1110.10364	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03855	0.2
92.99716	1.5
93.03364	0.1
95.01285	8.8
96.01646	0.2
97.02874	0.2
99.00790	0.2
101.03861	0.1
105.03374	0.2
107.01319	0.2
109.02866	0.4
111.00787	0.3
112.60024	0.1
117.03352	0.8
119.04958	0.4
120.99245	0.2
121.02853	0.3
123.00796	1.1
123.04426	0.2
124.01581	0.1
125.02380	2.9
129.03369	0.5
131.01347	0.1
131.04948	0.3
132.02106	0.2
132.46156	0.1
133.02904	0.6
135.00769	0.2
135.04428	0.3
137.02390	1.1
139.00337	0.3
141.03386	0.2
145.02887	2.3
146.03616	0.2
147.00806	0.3
147.04449	1.2
149.02391	0.4
151.00296	0.2
153.01869	0.2
154.99815	0.1
155.01228	0.2
157.02896	1.1
158.03687	0.3
159.00810	0.2
159.04440	1.0
160.01645	0.2
161.02390	1.7
162.03038	0.1
163.00333	2.6
163.03949	1.3
164.01051	0.3
164.98245	5.9
165.01874	1.4
165.98521	0.2
166.99776	0.4
169.01402	2.8
169.02786	0.2
171.00819	0.4
171.04446	0.1
172.01662	0.2
173.02402	3.0
174.03027	0.3
175.00246	0.2
175.03963	1.4
176.01108	0.2
177.01883	1.0
177.05612	0.1
178.99808	0.5
179.03416	0.2
181.01344	0.2
184.01657	0.1
185.02406	3.8
186.02957	0.2
187.00314	0.3
187.03973	0.7
188.01132	0.3
189.01912	2.0
190.02696	0.9
190.99895	0.9
191.01831	0.2
191.03467	1.6
192.00517	0.3
193.01387	0.5
194.99229	0.2
197.02473	0.2
198.03142	0.1
199.00381	0.3
199.03972	0.3
199.60706	0.1
200.01064	0.7
201.01917	4.4
202.02538	0.3
203.00026	0.1
203.03467	2.8
205.01363	0.5
205.05067	0.2
206.99361	0.2
207.02826	0.2
208.00095	0.3
209.00909	1.7
211.00322	0.2
211.04057	0.2
213.01927	1.4
214.02646	0.5
214.99829	0.5
215.03522	0.3
216.00645	0.7
217.01430	3.4
218.02208	0.6
219.02972	1.1
221.04503	0.2
223.04140	0.2
225.05487	0.1
226.99939	1.0
227.03500	0.4
228.00597	0.6
229.01434	8.5
230.01993	0.6
230.99397	0.2
231.02992	2.8
232.03285	0.2
233.00899	0.5
233.98082	0.7
234.98912	0.5
239.03596	0.2
240.00644	0.2
241.01503	0.5
241.05124	0.2
242.02036	0.2
242.99332	1.1
243.03027	0.6
244.00140	0.7
245.00928	6.2
246.01450	0.5
247.02496	2.1
248.03156	0.6
249.04045	2.3
250.04346	0.2
254.99329	1.0
255.03210	0.3
256.00085	0.4
257.00958	7.1
258.01669	1.6
259.02432	0.7
261.00485	0.6
267.03018	0.3
269.01010	0.4
269.04541	0.2
270.98917	3.1
271.02359	0.5
271.99634	0.7
273.00482	6.3
274.01245	2.1
275.02029	13.7
276.02271	0.7
281.04526	0.2
282.98962	0.4
283.02444	0.3
283.06183	0.1
283.99686	3.4
284.02847	0.2
285.00494	2.9
285.03928	0.3
286.00903	0.3
287.01938	0.6
289.00162	0.2
290.00644	0.2
291.01553	0.6
294.99152	0.1
295.02518	0.3
297.00494	0.2
297.03802	0.2
298.98434	2.9
299.01959	0.4
299.95535	0.2
299.99167	8.1
300.99948	100.0
302.00302	5.6
302.03793	0.2
303.01163	0.2
310.98499	1.5
311.01892	0.3
311.99130	0.1
312.02740	0.1
312.99997	1.5
314.00568	0.4
315.01544	1.1
316.99463	0.5
317.02899	0.3
319.01028	0.5
323.01981	0.2
326.97830	0.5
327.01367	0.2
327.98697	0.2
328.99469	0.4
331.01007	0.2
335.04111	0.2
338.97800	0.3
341.03003	0.2
343.01038	1.5
344.01236	0.2
356.98889	0.2
401.05310	0.2
419.06244	0.2
433.66226	0.1
445.04495	0.7
447.06219	0.2
461.03833	0.4
463.05286	2.7
464.05817	0.2
473.03937	0.2
475.05283	0.2
501.03302	1.1
505.06699	0.2
514.40112	0.1
519.04175	0.1
546.08997	0.3
613.05151	0.3
615.06543	0.3
631.06360	0.3
633.07599	0.9
671.05365	1.9
689.06757	0.2
765.06116	1.1
766.06403	0.3
775.04187	0.2
803.03735	0.7
823.06226	0.2
825.08435	0.6
891.08679	0.2
915.05859	0.3
919.08752	0.2
933.06641	5.3
934.07373	0.9
935.08148	15.6
936.08575	1.9
945.06592	0.8
947.07922	0.6
973.06110	12.2
974.06342	2.0
991.07452	0.5
1005.08893	0.3
1049.07703	9.2
1050.08179	1.6
1109.09863	6.4
1110.10120	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.9845
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28035	0.2
55.01765	0.7
65.99741	0.5
67.01774	1.1
68.01302	0.7
70.00481	0.3
70.00880	0.6
71.01270	0.3
77.39735	0.2
78.95797	100.0
80.96412	0.2
83.01276	2.3
110.98451	3.1
111.00797	4.2
111.01941	0.8
111.04414	0.4
112.00303	0.4
112.01083	0.2
115.10316	0.2
120.31660	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
79.84935	0.2
89.03872	0.3
92.66505	0.2
95.01292	1.1
95.04998	0.2
97.01416	0.2
104.52922	0.2
105.03386	0.3
108.52496	0.2
109.02924	0.3
111.00800	0.2
117.03372	1.3
119.04939	0.7
121.02819	0.2
123.00803	2.1
125.02373	2.9
129.03407	0.6
132.02147	0.3
133.02896	1.2
135.04433	0.3
137.02362	0.5
139.00327	0.3
145.02904	3.4
146.09216	0.2
147.04495	1.2
149.02432	0.3
151.00227	0.3
157.02913	0.7
159.00858	0.5
159.04468	0.7
160.01619	0.3
161.02390	3.3
163.00308	0.6
163.03975	1.8
163.47818	0.2
165.01848	0.4
166.99783	1.0
169.01422	2.1
171.00850	0.8
172.01604	0.5
173.02420	4.1
174.03133	0.2
175.03976	1.6
176.01123	0.5
177.01898	1.2
178.99873	0.3
185.02396	2.3
187.00238	1.4
187.04010	0.4
188.01111	0.5
189.01909	4.7
190.02599	1.1
190.99818	0.4
191.03485	2.9
199.00322	0.7
200.01161	0.6
201.01930	4.8
202.02499	0.4
203.03481	2.1
205.01395	0.8
213.01907	0.5
213.05489	0.2
214.02718	0.4
214.99872	1.9
215.03415	0.4
216.00621	0.9
217.01424	7.1
218.02083	0.6
219.02983	1.3
221.04433	0.3
226.99832	1.3
227.03508	0.4
228.00632	0.8
228.99182	0.5
229.01433	7.9
229.04877	0.3
230.02077	0.6
230.99432	0.3
231.03021	2.1
232.00046	0.3
233.00945	0.5
235.02478	0.3
240.00700	0.3
241.01460	0.3
242.02261	0.2
242.99417	4.1
243.03075	0.8
244.00142	1.3
245.00951	11.6
246.01419	0.9
247.02481	4.7
248.03172	0.6
249.04131	2.0
254.99402	0.8
255.03146	0.2
255.99960	0.3
257.00955	5.4
258.01633	1.3
259.02481	0.3
259.99704	0.5
261.00534	1.4
261.02997	0.2
263.01816	0.3
267.02975	0.5
269.04688	0.4
270.98923	14.4
271.02328	0.9
271.99521	1.7
273.00479	16.2
274.01166	2.1
275.02045	10.6
275.05106	0.5
276.02356	0.6
279.03192	0.2
283.02612	0.4
283.99701	3.0
285.00363	0.8
285.03967	0.4
286.98666	0.4
287.02100	0.7
288.99994	0.6
291.01520	1.3
298.98419	15.1
299.01688	0.5
299.99185	9.7
300.02585	0.6
300.99963	100.0
302.00296	6.4
309.04059	0.5
312.99979	0.7
314.00775	1.8
315.01541	0.9
316.02298	3.3
316.99460	0.9
317.02930	0.5
327.01575	0.3
341.02957	0.2
343.01007	1.5
383.04221	0.3
389.05127	0.3
405.04745	0.4
417.04739	0.4
433.04099	0.4
443.02469	0.7
445.04001	1.4
461.03796	1.4
463.05249	1.8
477.06631	1.8
579.20111	0.2
613.05139	1.6
625.14325	4.2
631.06384	0.6
763.04590	0.3
763.51697	0.3
765.05884	0.8
907.08643	0.6
915.05157	1.1
933.06635	48.1
934.06976	8.7
951.07690	29.1
952.07935	6.4
952.26990	0.3
1056.26868	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
73.17021	0.2
78.26759	0.2
93.03366	0.2
95.01288	1.1
96.95888	0.7
99.00819	0.2
101.03821	0.3
105.03373	0.3
107.04895	0.3
108.02070	0.2
109.02876	0.6
111.00785	0.3
117.03403	1.1
119.01309	0.3
119.04962	0.9
121.02840	0.3
123.00793	1.4
123.04428	0.5
124.01535	0.3
125.02371	3.5
126.02702	0.3
129.03404	0.5
131.04958	0.3
132.02112	0.3
133.02896	1.7
135.04419	0.4
137.02380	1.0
138.52565	0.2
141.03378	0.2
145.02895	2.7
147.00848	0.2
147.04456	2.1
149.02351	0.6
151.00273	0.2
151.03954	0.5
153.01872	0.2
157.02879	1.7
158.03630	0.2
159.00797	0.2
159.04507	1.5
160.01622	0.4
161.02409	2.6
162.02890	0.3
163.00342	1.3
163.03960	1.9
164.01163	1.0
164.04730	0.2
164.98209	0.3
165.01825	0.7
166.99696	0.3
169.01367	1.7
169.02682	0.3
171.00847	0.3
173.02420	3.2
174.03098	0.6
175.02498	0.3
175.03964	3.7
176.01088	0.4
177.01930	1.4
178.99800	0.3
179.03415	0.4
185.02414	3.4
186.02879	0.2
187.00290	0.6
187.03964	0.6
187.79105	0.2
188.00945	0.3
189.01903	2.3
190.02660	1.5
190.99899	0.2
191.03468	2.2
193.01430	0.4
199.00316	0.4
199.03973	0.3
200.01123	0.5
201.01930	6.1
201.05719	0.3
202.02594	0.6
203.03479	6.1
203.07292	0.2
205.01399	0.7
207.02908	0.2
208.00075	0.3
209.00912	0.6
209.11794	0.2
213.01964	1.8
214.02573	0.7
214.64923	0.2
214.99890	0.8
215.03381	0.5
216.00577	0.9
217.01427	3.0
218.02138	1.1
219.02972	2.1
222.01651	0.2
226.99915	0.9
227.03488	0.4
228.00653	0.7
229.01442	12.4
230.02007	1.3
230.99438	0.3
231.02998	3.5
232.00325	0.2
232.03418	0.3
233.98186	0.2
240.00783	0.2
241.01385	0.5
242.99321	0.8
243.03012	0.5
244.00110	0.8
245.00954	5.9
245.04736	0.3
245.07855	0.2
246.01555	0.6
247.02501	3.2
248.03125	0.5
249.04086	1.2
254.99245	0.5
255.03123	0.3
257.00967	11.4
258.01685	4.6
259.02423	0.7
261.00439	0.9
269.00937	0.3
270.98880	2.2
271.06262	0.4
271.99506	0.7
272.02875	0.2
273.00479	7.1
274.01248	3.4
275.02036	50.2
276.02353	2.9
281.04941	0.2
283.02560	0.3
283.06122	0.3
283.99692	3.2
284.02655	0.2
285.00366	0.8
287.02142	0.6
289.07205	0.8
290.00598	0.4
291.01450	0.6
297.00775	0.3
298.98465	2.5
299.01675	0.3
299.99194	6.7
300.02652	0.4
300.99957	100.0
302.00299	6.0
315.01578	0.3
316.99304	0.7
319.01236	0.4
324.99963	0.3
341.06772	0.3
371.00720	0.3
397.05594	0.3
407.07578	0.3
527.11914	0.6
553.10010	0.4
569.09613	0.9
571.11011	2.0
827.10944	0.3
829.13153	0.5
835.07648	0.3
843.10400	0.3
845.12213	0.4
853.08179	1.0
871.10175	6.3
872.10480	1.6
873.11761	50.8
874.12042	8.7
885.11096	0.4
911.10022	1.5
932.05878	0.9
987.11304	4.0
988.11908	1.0
1029.12817	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.119
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01288	0.2
85.02845	0.2
88.21796	0.2
89.03866	0.2
93.03344	0.3
95.01279	0.6
101.03880	0.1
102.48711	0.2
105.03421	0.2
107.01305	0.2
107.04911	0.2
109.02856	0.6
111.00787	0.4
117.03375	0.4
119.01292	0.3
119.04943	0.3
121.02885	0.4
123.00788	1.2
123.04458	0.2
125.02376	2.6
129.03368	0.6
131.04936	0.3
133.02869	0.6
135.00821	0.2
135.04456	0.4
137.02373	1.1
141.03403	0.3
145.02892	1.9
147.04453	1.2
149.02371	0.3
151.00279	0.2
157.02890	0.9
158.03642	0.2
159.04442	1.2
160.01608	0.2
161.02388	1.1
162.58603	0.1
163.00316	1.7
163.03978	1.2
163.32535	0.1
164.01010	0.4
165.01907	1.1
166.99785	0.3
169.01398	2.8
169.02794	0.3
171.97136	0.2
172.01656	0.2
173.02388	2.9
174.03119	0.2
175.03989	1.5
176.01083	0.2
177.01874	1.3
178.99820	0.2
179.03424	0.2
185.00870	0.3
185.02409	3.2
186.03050	0.2
187.00294	0.3
187.03972	0.6
188.01125	0.3
189.01909	1.9
190.02679	1.1
190.21039	0.2
190.99860	0.9
191.03471	1.8
191.05157	0.2
192.00687	0.3
193.01366	1.9
199.00394	0.2
199.03993	0.2
200.01123	0.4
201.01913	4.4
202.02596	0.3
203.03490	3.7
204.03975	0.2
205.01434	0.5
206.99400	0.3
207.02893	0.2
208.00171	0.2
209.00839	0.9
211.04108	0.3
213.01909	1.0
213.05453	0.2
214.02744	0.3
214.99954	0.3
215.03459	0.5
216.00613	0.6
217.01439	2.2
218.02177	0.6
218.99318	0.5
219.02972	1.0
221.00963	0.3
221.04565	0.2
226.99911	0.6
227.03549	0.5
228.00586	0.4
229.01434	8.4
229.05070	0.3
230.02048	1.1
230.99475	0.2
231.02983	2.9
232.03194	0.2
233.00867	0.3
237.00481	1.0
239.03627	0.2
240.00769	0.2
242.99388	0.4
243.03023	0.7
244.00131	0.6
245.00938	5.3
246.01614	0.7
247.02489	2.5
248.03114	0.3
249.04028	2.4
253.01764	0.2
254.99455	0.4
255.03027	0.4
256.03854	0.2
257.00952	7.1
258.01666	1.8
259.02570	0.8
261.00473	0.9
267.03082	0.2
269.01038	0.2
269.04550	0.2
270.98904	0.9
271.02502	0.4
271.99609	0.4
273.00470	4.6
273.03760	0.2
274.01227	2.9
275.02036	18.3
276.02426	1.1
283.02435	0.3
283.99734	2.9
284.02850	0.3
285.00497	1.0
286.01196	0.2
287.01971	0.7
288.02618	0.2
290.00696	0.2
291.01514	0.6
295.02460	0.2
298.98404	1.0
299.02090	0.6
299.99185	7.6
300.99954	100.0
302.00299	5.9
302.03748	0.4
303.01266	0.3
311.01840	0.3
313.00000	0.3
313.03473	0.2
314.00659	0.4
315.01627	1.6
316.02133	0.2
317.03052	0.2
319.01102	0.5
324.99979	0.2
327.01694	0.7
329.03229	0.3
341.03006	0.2
343.01062	1.8
345.02618	1.0
361.05704	0.3
369.02219	0.2
371.00406	0.3
381.04819	0.5
383.04224	0.2
387.03540	0.2
389.01443	0.3
405.04590	0.4
419.06229	0.4
431.02805	0.2
445.04150	0.3
449.03601	0.3
463.05215	3.7
464.05978	0.2
546.10944	0.2
551.06757	0.7
615.06421	0.4
633.07397	4.6
634.07990	0.4
683.05493	0.2
721.07751	0.2
763.09650	0.2
765.05902	1.4
781.11237	0.3
782.76379	0.2
825.08179	1.0
841.07062	0.2
853.07727	2.8
854.07806	0.4
891.09277	0.3
907.08044	0.2
935.08185	22.1
936.08417	3.0
1005.08948	0.8
1023.09521	1.1
1039.12610	0.2
1065.10376	0.4
1083.11877	9.5
1084.12451	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1038.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
72.59726	0.5
80.79755	0.5
92.90488	0.6
93.03321	1.1
95.01295	1.9
96.95870	0.8
109.02863	0.7
111.00780	0.8
117.03378	1.7
121.02868	1.1
123.00770	1.3
125.02356	4.1
125.58448	0.6
131.01364	0.9
133.02861	2.4
137.02309	0.7
145.02878	5.1
147.00797	0.7
147.04456	2.1
148.01559	0.7
149.02341	1.6
151.00278	0.7
152.73871	0.5
157.02907	1.2
159.00821	1.1
159.04384	0.7
160.01614	0.6
161.02362	6.2
163.00301	2.4
163.03978	2.0
164.01033	0.6
164.98154	1.0
165.01881	1.5
166.99821	0.6
169.01384	1.3
169.02800	0.8
171.00859	0.9
172.01588	0.8
173.02405	4.4
175.00317	1.0
175.03983	2.3
176.01053	0.8
177.01909	3.9
184.38976	0.5
185.02461	2.7
187.00340	2.9
187.04027	1.1
188.01114	0.6
189.01895	7.8
190.02472	0.7
190.99814	0.8
191.03456	1.7
192.00591	0.6
193.01357	1.0
199.00317	1.1
199.14667	0.6
200.01161	1.7
201.01936	4.8
203.03452	3.3
204.00529	0.6
204.03903	0.6
205.01445	3.2
206.99306	0.7
213.01857	1.3
214.99870	3.9
216.00604	2.2
217.01395	9.0
218.02074	1.0
219.03047	1.6
221.00914	0.8
226.99829	1.1
229.01431	8.7
230.02010	1.2
230.99384	1.4
231.03026	2.0
231.99979	1.3
233.00952	2.7
242.99403	7.5
244.00032	1.5
245.00938	13.7
246.01448	1.2
247.02510	2.5
249.04109	1.3
257.00961	5.1
258.01682	2.3
259.99625	1.6
261.00473	6.5
269.00967	0.6
270.98920	20.0
271.01712	0.7
271.99402	2.5
273.00464	18.6
274.01099	2.6
275.02051	20.0
276.02396	1.4
283.99673	2.0
285.00363	1.8
286.98401	3.5
287.01825	1.3
287.98877	1.2
288.99969	5.6
289.07382	0.9
290.00223	1.0
291.01501	2.6
298.98401	32.1
299.99094	7.7
300.99960	59.1
302.00223	4.5
313.00006	0.8
314.97928	2.4
315.98581	5.6
316.99454	100.0
317.99802	5.1
331.00989	0.7
381.21014	0.6
500.08173	1.1
516.07880	1.2
518.09290	0.8
526.06525	0.6
544.07306	2.2
546.09064	7.5
562.08344	0.7
584.07111	0.7
676.08954	0.7
761.63977	0.6
818.08771	1.9
820.10327	2.3
846.08301	10.1
847.08801	1.3
848.10291	1.3
862.07318	1.0
863.08142	0.9
864.08148	3.4
865.09894	0.8
960.08606	1.4
978.09265	1.8
1038.11682	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01276	1.2
91.01819	0.3
93.03353	0.5
98.19880	0.3
104.08389	0.1
107.01293	3.3
108.02109	0.7
109.02865	2.4
119.01319	0.4
121.02875	2.9
124.01579	0.3
125.02348	0.5
128.81657	0.1
135.00795	0.9
139.03934	0.2
148.01585	1.3
149.02357	0.5
151.00311	12.4
152.00867	0.3
157.06538	0.2
159.04454	0.5
161.02394	0.3
163.00319	3.6
163.03925	0.3
164.01143	0.6
165.01900	0.3
167.04987	0.2
169.01404	1.1
171.04419	0.2
173.05943	0.2
175.04034	0.2
178.99826	6.0
183.04489	0.9
185.06061	0.2
187.03931	0.5
189.05667	0.2
190.99826	0.5
192.00601	0.3
193.01321	0.2
199.03987	0.6
201.01978	0.2
201.05621	0.6
203.03496	0.4
209.00555	0.2
211.03986	1.5
213.01796	0.2
214.02553	0.2
215.03485	0.6
216.04263	0.5
216.37093	0.1
217.04921	0.2
226.02727	0.9
227.03520	2.7
228.04161	0.2
229.04942	0.9
239.03465	0.6
240.04256	0.4
243.03023	6.8
244.03439	0.6
245.04582	2.3
254.02220	1.4
255.03023	21.5
256.03424	1.4
257.04517	0.4
266.02319	0.3
268.03873	0.3
269.04593	1.2
271.02536	43.2
272.02997	3.5
273.04108	1.4
283.02536	1.8
299.02167	1.6
300.02817	70.9
301.03558	51.1
302.03928	3.0
343.04462	0.2
447.09415	100.0
448.09753	9.0
577.15216	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1024.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01268	0.3
71.59932	0.5
83.01299	0.6
95.01284	1.2
95.04861	0.4
100.45476	0.3
109.02908	0.8
115.05427	0.3
117.03385	1.0
119.04926	0.7
123.00816	1.1
123.04443	0.5
125.02374	4.0
129.03439	0.7
131.04906	0.4
132.02121	0.4
133.02902	1.3
135.04446	0.3
137.02391	1.0
145.02910	2.8
147.04434	1.5
149.02382	0.5
151.00380	0.4
151.03943	0.4
157.02924	1.3
159.04489	1.6
161.02425	2.2
163.00311	1.0
163.03920	2.0
164.01093	1.1
164.98280	0.4
165.01881	0.9
166.99802	0.7
169.01389	1.3
173.02394	3.5
174.03165	0.5
175.03970	3.5
177.01930	1.3
185.02412	3.9
187.00323	0.4
187.03989	0.8
188.01151	0.5
189.01923	2.5
190.02640	0.9
191.03470	2.7
201.01921	6.4
202.02596	0.5
203.03490	5.7
205.01434	0.7
207.03136	0.4
213.01959	2.4
214.02637	0.6
215.03514	0.5
216.00661	0.5
217.01456	3.5
218.02185	0.8
219.03052	2.1
226.99847	0.9
227.03522	0.4
228.00648	1.0
229.01430	13.7
230.01945	1.5
231.03003	3.6
233.00917	0.4
242.99413	0.9
243.03072	0.7
243.90771	0.3
244.00119	0.5
245.00952	7.2
245.04607	0.4
245.08420	0.4
246.01579	0.6
247.02524	3.0
249.04015	1.5
255.03102	0.4
256.00052	0.3
257.00955	11.2
258.01718	4.9
259.02588	0.7
261.00500	0.9
261.03595	0.4
269.04492	0.4
270.99005	2.2
271.02539	0.7
271.05969	0.6
271.99597	0.4
273.00476	8.1
274.01300	4.1
275.02048	55.4
276.02405	3.5
283.99713	2.9
285.00351	0.5
287.01956	0.7
289.07355	0.8
290.00827	0.4
298.98499	2.4
299.99185	7.2
300.99963	100.0
302.00314	6.5
303.00751	0.4
316.99393	1.1
319.01007	0.6
371.00549	0.4
447.08908	0.5
463.05173	0.5
525.16296	0.6
530.09180	0.4
546.09052	1.3
548.10498	2.8
584.33801	0.3
740.11871	0.7
830.08453	0.8
848.09808	9.1
848.25867	0.6
849.09912	1.9
850.11279	52.2
851.11456	7.3
888.09467	1.8
964.10712	6.9
965.10687	1.0
1024.13318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1022.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01266	0.2
71.21042	0.4
77.56125	0.2
82.02879	0.4
83.55307	0.2
93.73887	0.2
95.01297	1.3
99.00790	0.3
99.81884	0.2
105.03372	0.2
107.01359	0.3
109.02911	0.3
111.00773	0.4
117.03392	0.6
119.04929	0.6
121.02875	0.2
123.00787	1.2
125.02393	1.1
129.03400	0.5
131.04965	0.6
132.96222	0.2
133.02899	1.1
137.02397	0.5
141.01939	0.2
141.03362	0.4
145.02878	3.2
147.00769	0.3
147.04439	1.4
149.02380	0.4
157.02917	1.2
159.00809	0.3
159.04460	1.4
160.01614	0.4
161.02391	1.9
163.00294	1.2
163.02756	0.2
163.03969	1.5
164.98221	0.6
165.01875	0.4
169.01425	0.3
171.00827	0.3
173.02425	3.0
174.03114	0.5
175.03963	2.5
177.01921	0.9
185.02415	3.7
186.02988	0.3
187.00342	0.4
187.03952	0.7
188.01164	0.3
189.01892	3.2
190.02650	1.1
190.99767	0.3
191.03482	2.9
192.00568	0.3
193.01526	0.4
199.00391	0.4
200.01126	0.4
201.01913	5.5
202.02512	0.6
203.03488	5.9
204.03850	0.4
205.01408	0.6
207.02965	0.3
208.00244	0.3
209.00835	0.7
213.01973	1.9
214.02708	0.5
214.99860	0.5
215.03502	0.2
216.00688	0.5
217.01445	3.4
218.02107	0.9
219.02969	1.8
221.00919	0.3
224.68349	0.2
226.99887	0.6
228.00679	0.7
229.01442	12.5
230.01889	1.2
231.03024	3.5
233.00929	0.4
241.01498	0.5
242.02150	0.3
242.99347	1.1
243.02982	0.2
244.00102	0.8
245.00940	7.7
246.01456	0.9
247.02538	2.9
248.03075	0.3
249.04048	1.4
252.02997	0.2
254.99423	0.7
257.00958	10.4
258.01697	4.3
259.02341	0.7
259.99759	0.3
261.00458	1.0
269.00986	0.4
270.98932	3.0
271.01889	0.4
271.99585	0.6
273.00476	9.2
274.01227	3.4
275.02039	51.0
276.02402	3.2
282.98865	0.3
283.02536	0.3
283.99680	3.1
285.00497	1.0
287.02060	1.0
289.00003	0.3
291.01483	0.6
298.98422	4.0
299.01663	0.3
299.99188	6.6
300.99963	100.0
302.00296	6.7
313.00110	0.4
315.01846	0.3
316.99463	0.8
317.99948	0.3
319.01160	0.5
327.01572	0.5
331.01031	0.5
371.00620	0.3
500.08429	0.6
502.09940	0.6
516.07922	0.7
518.09222	0.2
526.06311	0.3
528.07874	0.8
544.07434	2.8
545.07684	0.3
546.09009	4.0
556.06940	0.2
572.07086	0.3
584.07086	0.5
738.09814	0.4
802.08691	0.3
810.05463	0.3
818.09039	0.3
820.09760	0.3
828.07111	0.9
846.08228	8.2
847.08331	1.5
848.09698	36.1
849.10083	6.2
886.07855	1.1
962.09302	3.9
963.09576	0.8
1022.10870	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1022.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
71.46930	0.3
82.02895	0.3
89.03879	0.2
95.01299	1.0
97.02837	0.2
99.00776	0.3
100.07557	0.1
100.23489	0.1
101.03876	0.3
105.03358	0.1
107.01357	0.2
109.02879	0.2
111.00783	0.2
117.03380	0.7
119.04946	0.5
121.02865	0.4
121.26596	0.1
123.00826	1.1
125.02380	0.6
129.03394	0.6
131.04945	0.3
133.02898	0.8
135.04414	0.2
137.02319	0.4
139.00299	0.2
141.03381	0.3
145.02896	2.2
147.00841	0.2
147.04469	1.6
149.02371	0.4
151.00288	0.2
154.99734	0.2
157.02899	1.0
158.03647	0.3
159.00826	0.2
159.04471	1.2
159.05663	0.2
160.01605	0.4
161.02377	1.5
162.03000	0.1
163.00343	1.0
163.03957	1.4
164.01021	0.1
164.98251	0.5
165.01891	0.4
166.99780	0.2
169.01366	0.3
171.00929	0.2
172.01619	0.3
173.02406	2.9
174.03130	0.3
175.00298	0.2
175.03986	2.4
176.01089	0.3
177.01959	0.7
177.03275	0.1
183.04646	0.2
184.01646	0.1
185.02420	4.0
186.02774	0.2
187.00352	0.3
187.03963	0.6
188.01053	0.2
189.01884	2.0
190.02637	1.0
190.99820	0.1
191.03467	2.0
192.00615	0.2
192.03915	0.1
193.01384	0.4
199.00371	0.3
199.03914	0.1
200.01096	0.4
201.01920	4.9
202.02568	0.6
203.03488	5.7
204.00693	0.1
204.03888	0.4
205.01500	0.7
206.99303	0.1
209.00876	0.4
213.01917	2.1
214.02681	0.7
214.99902	0.4
216.00594	0.6
217.01396	2.4
218.02220	0.6
219.02963	1.9
221.00945	0.2
222.01711	0.3
226.99911	0.6
227.03456	0.3
228.00636	0.6
229.01439	11.9
230.02003	1.3
231.03003	3.5
232.03557	0.2
233.00871	0.4
233.98111	0.2
235.02406	0.2
240.00604	0.2
241.01427	0.3
242.02081	0.2
242.99352	0.7
243.03079	0.3
244.00079	0.7
245.00941	5.6
246.01505	0.7
247.02505	2.9
248.03084	0.3
249.04074	1.1
254.99435	0.3
255.02998	0.3
257.00952	11.7
258.01697	4.1
259.02341	0.5
261.00494	0.8
269.00934	0.2
270.98938	2.0
271.02304	0.2
271.99512	0.6
273.00488	6.2
274.01202	3.5
275.02036	57.3
276.02386	3.1
277.28409	0.1
282.95694	0.1
283.02640	0.2
283.99716	2.8
285.00421	0.5
287.02014	0.5
288.99823	0.2
290.00778	0.2
291.01434	0.3
297.00177	0.1
298.98456	2.6
299.01865	0.3
299.99182	5.7
300.99954	100.0
302.00308	6.5
302.03192	0.1
312.99969	0.2
313.03503	0.2
315.01712	0.1
316.99362	0.9
319.00970	0.4
325.00021	0.2
327.01538	0.3
417.04135	0.2
500.08377	0.2
502.09982	0.5
516.08026	0.2
528.07690	0.4
544.07446	1.3
545.07318	0.2
546.09100	3.2
547.09180	0.5
584.06891	0.3
594.38019	0.1
738.10040	0.3
802.09613	0.2
804.11218	0.3
810.05792	0.2
818.08887	0.2
820.10046	0.2
828.06787	0.7
846.08179	3.1
847.08551	0.7
848.09692	27.5
849.10052	4.3
858.09277	0.2
886.07721	0.7
962.09406	2.2
963.09515	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01259	0.4
94.79795	0.3
95.01293	0.9
99.00779	0.5
111.00795	0.4
117.03400	0.9
119.04874	0.4
123.00804	0.7
125.02361	1.9
129.03358	0.5
131.04948	0.4
133.02933	0.7
137.02370	0.7
145.02893	2.2
147.04424	1.5
149.02365	0.4
157.02882	1.3
159.04477	1.1
161.02368	2.1
163.00308	1.0
163.03963	1.4
164.01036	0.5
164.98236	0.6
165.01872	0.7
169.01312	0.6
173.02399	3.4
175.03938	2.2
177.01891	1.3
179.03488	0.5
185.02423	3.7
187.04001	0.6
188.01123	0.3
189.01929	2.0
190.02603	1.1
190.99692	0.4
191.03511	2.6
199.00377	0.5
200.01186	0.5
201.01906	5.9
202.02643	0.8
203.01790	0.6
203.03517	5.1
205.01413	1.0
213.00032	0.3
213.01804	1.7
214.02719	0.6
214.99934	0.4
215.03461	0.5
216.00601	0.5
217.01367	2.8
218.02083	0.6
219.02992	2.2
226.99849	0.6
228.00528	0.4
229.01421	12.0
230.02068	0.9
230.75574	0.3
231.02966	3.8
232.03372	0.4
233.00806	0.6
242.99342	0.5
244.00142	0.6
245.00905	6.6
246.01517	0.5
247.02502	3.1
248.03163	0.3
249.04094	1.1
257.00931	11.4
258.01685	4.4
259.02243	0.8
261.00439	0.8
270.98834	2.0
271.99518	0.7
273.00452	7.3
274.01193	3.3
275.02036	51.9
276.02405	2.8
283.99734	2.8
285.00360	1.0
288.99631	0.4
298.98492	3.2
299.01654	0.6
299.99158	6.3
300.99954	100.0
302.00272	7.7
313.00095	0.4
316.99490	1.2
371.88745	0.4
493.09756	0.6
519.08228	0.5
535.07886	2.0
537.08984	3.1
538.10095	0.4
801.05731	0.4
811.11511	0.5
819.07202	0.9
837.08136	6.4
838.08441	1.4
839.09668	44.6
840.10181	6.9
877.07721	1.1
953.09528	3.5
954.10010	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01263	1.0
81.03354	4.8
83.01273	7.3
85.02865	0.6
88.98715	1.1
93.03367	4.3
95.01289	2.6
95.04924	5.3
96.95908	2.0
97.02851	10.9
99.04422	0.9
101.02362	0.9
107.04934	1.2
108.02060	1.4
109.02861	33.3
110.03217	0.8
111.04397	1.1
117.03443	0.8
121.02882	6.4
121.06519	0.6
122.03674	2.0
123.04440	23.0
124.13156	0.6
125.02370	24.6
125.09643	1.1
126.02697	0.7
131.04919	0.9
133.02855	1.8
135.04454	4.0
137.02370	26.8
138.03110	1.8
139.03941	7.2
145.02858	1.7
146.03636	2.9
146.04659	0.6
147.04424	1.5
149.02377	9.4
149.05896	0.6
150.03169	1.9
151.03958	12.9
157.06516	1.1
159.04465	7.5
160.05208	2.6
161.02377	6.2
161.06032	10.7
162.03230	4.1
163.00333	2.4
163.03949	2.1
164.01085	7.5
165.01863	8.6
166.02597	0.8
167.03473	3.9
173.06033	2.3
174.03148	1.7
175.03949	6.0
175.07611	4.1
175.85541	0.5
176.01094	1.2
177.01872	3.7
177.05524	2.0
177.12880	0.6
178.02669	0.6
179.03470	11.3
185.06107	1.3
187.03981	9.1
188.04767	7.7
189.05396	0.8
190.02635	0.6
191.03488	0.8
199.07616	1.6
201.05511	1.8
202.06305	4.0
203.03499	1.7
203.07112	25.6
204.07445	1.3
205.05060	16.8
206.05328	0.8
212.04756	1.0
217.05054	1.0
217.08798	1.0
221.08133	4.6
223.13441	2.1
227.07124	4.5
229.04996	0.5
230.05704	1.0
231.02945	2.2
245.08212	33.7
246.08566	1.6
247.06134	2.4
265.14426	0.7
271.06274	2.0
277.21771	3.6
289.07251	100.0
290.07489	6.4
291.12592	1.2
306.39301	0.6
435.17935	0.6
497.18417	0.8
805.43658	1.1
859.44946	6.5
860.46753	1.1
909.58276	0.8
967.48468	1.7
993.48810	6.0
994.49371	1.7
1011.49774	98.1
1012.50220	27.6
1012.71790	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
70.95712	0.8
71.00594	0.3
71.01276	0.7
78.95789	0.4
80.02547	0.3
81.03356	4.7
82.83656	0.3
83.01276	8.3
83.04941	0.7
85.02879	0.5
88.98719	0.3
89.02330	0.6
91.05415	0.4
93.03362	4.9
93.71005	0.3
95.01284	1.3
95.03538	0.3
95.04928	5.6
96.02924	0.3
96.95917	1.4
96.96844	0.4
97.02854	11.7
97.03484	0.7
99.04407	0.8
101.02348	0.5
105.03367	0.6
107.04939	1.5
108.02091	2.9
109.02863	33.6
110.03197	0.7
111.00800	0.5
111.04444	0.6
117.03397	0.8
119.04910	0.4
120.01987	0.4
121.02874	7.3
122.03728	1.7
123.00829	0.8
123.04445	24.8
124.01584	0.4
124.04773	1.0
125.02372	27.0
125.09622	0.8
126.02686	0.8
131.04945	0.8
133.02904	2.1
133.06543	0.8
135.04457	4.2
137.02380	30.6
138.03082	1.2
139.03946	8.5
140.04271	0.4
141.01880	0.4
143.04909	0.8
145.02905	2.3
146.03664	2.8
147.04475	1.5
149.02391	9.8
149.05998	0.8
150.03090	1.3
151.03961	13.2
151.05202	0.7
154.02701	0.4
157.06555	0.9
158.03679	0.8
159.04469	7.2
159.08090	0.5
160.05232	2.9
161.02394	6.7
161.06032	11.7
162.03178	4.1
162.06384	0.6
163.00339	2.9
163.03960	2.8
164.01105	7.9
165.01898	8.7
165.05557	0.9
166.02657	0.9
167.03485	3.5
172.05292	0.6
173.06038	2.2
174.03177	1.9
175.03976	6.9
175.07596	4.3
176.01151	1.8
176.04494	0.4
176.07904	0.4
177.01904	5.0
177.05452	1.7
178.02602	0.9
179.03462	10.6
180.03900	1.0
184.05319	0.6
185.06039	2.7
186.06804	0.4
187.03976	9.7
188.04752	8.7
189.01955	0.5
189.05396	0.7
190.02780	0.6
191.03452	0.7
191.79211	0.4
199.07573	1.5
201.05608	1.8
202.06339	3.9
203.03416	1.2
203.07132	27.7
204.04234	0.6
204.07495	1.5
205.01427	0.7
205.05052	18.1
206.05305	0.5
207.10233	0.8
212.04765	1.2
217.05043	1.1
217.08720	1.3
221.08203	4.9
223.13373	1.8
225.11366	0.4
227.07144	5.2
229.05070	0.9
230.05911	1.7
231.02971	2.0
245.08221	33.7
246.08626	2.1
247.06149	2.5
247.13409	0.5
249.11278	0.4
265.14490	0.4
271.06207	1.3
273.11429	0.5
277.21783	6.3
278.22128	0.6
289.07254	100.0
290.07599	6.6
291.12537	0.7
303.04852	0.4
331.11932	0.5
497.18250	1.3
805.44159	1.1
859.44861	5.5
860.45313	1.6
967.47510	1.6
968.48926	0.6
993.48700	5.7
994.49786	1.5
1011.49829	92.5
1012.50122	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	1001.296
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33445	0.6
71.00902	0.1
71.01270	0.2
83.01271	0.3
87.56726	0.1
90.63582	0.1
95.01281	0.2
98.19865	0.2
101.02348	0.1
107.01293	1.5
108.44492	0.1
109.02856	0.7
111.00780	0.2
123.00791	0.9
124.01598	1.2
125.02362	2.3
135.00795	0.3
136.01558	0.3
136.98674	0.1
137.02365	2.1
139.00264	0.3
140.01082	0.2
141.01883	0.2
145.02875	0.1
148.01590	0.2
151.00316	5.2
151.03868	0.2
152.01099	0.6
159.04414	0.1
161.02362	0.4
163.00308	1.1
164.01118	1.4
165.01888	0.4
166.99724	0.1
168.00571	0.3
169.01369	2.0
174.03111	0.1
175.03896	0.2
177.01897	0.3
178.02432	0.1
178.99820	4.5
183.04518	0.1
185.02396	0.2
187.03981	0.1
188.04785	0.1
189.02014	0.1
190.99866	0.1
192.00583	0.3
193.01401	0.2
199.03990	0.3
201.02052	0.1
203.03430	0.6
204.04254	0.4
209.38651	0.1
211.02444	0.5
214.02701	3.9
215.03355	0.5
217.01453	0.1
219.02921	0.2
221.68117	0.1
227.03490	0.7
229.01428	0.1
231.02951	0.2
232.03790	0.4
233.04214	0.1
234.31343	0.1
242.02232	3.7
243.02969	2.0
244.03711	0.3
245.04507	0.3
259.02496	3.6
260.02988	0.3
261.04095	0.3
270.01740	4.1
271.02515	23.7
272.02881	1.5
287.02039	13.7
288.02628	1.8
289.03726	0.1
289.07086	0.2
299.01984	0.5
300.02695	0.1
301.00168	0.1
313.06125	0.2
315.01477	0.6
316.02292	68.8
317.02963	15.8
318.03369	0.9
334.02209	0.1
407.07712	0.2
462.07794	0.1
463.08902	100.0
464.09216	7.9
537.19879	10.4
538.20184	1.0
623.88751	0.1
840.82788	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	972.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99753	0.4
69.03425	10.2
69.87041	2.2
71.01308	0.4
71.04964	0.8
79.01818	0.5
81.03413	30.8
83.01291	0.8
85.02444	0.4
85.02898	4.6
89.03903	0.6
91.05438	0.7
97.02871	3.3
99.04443	3.1
101.02332	0.7
103.05482	1.9
107.04913	0.5
108.19056	0.3
109.02873	14.0
111.00723	0.5
111.04398	0.4
115.05389	0.4
119.04933	2.2
121.06480	0.3
125.02293	0.6
127.03905	7.4
131.04932	4.0
133.02716	0.5
134.79890	0.3
135.04373	0.8
137.02306	1.1
139.03847	0.7
141.01866	0.5
143.03352	0.8
145.04900	0.9
147.04398	8.5
149.02350	0.6
151.03831	0.6
153.01814	3.9
157.02817	1.3
159.04417	5.3
163.03914	3.1
165.01805	2.5
165.05452	0.8
173.02299	1.1
175.03903	12.0
177.01782	1.3
177.05502	3.2
179.03346	1.2
181.01309	0.3
185.02269	1.6
187.02271	0.5
187.03893	5.6
191.03389	6.1
192.00429	0.4
193.01324	7.4
193.02986	0.7
193.04892	3.1
195.02888	0.4
201.01805	4.1
202.02538	0.6
203.03380	26.1
204.03574	0.5
205.01285	1.0
205.04958	2.8
207.02831	1.5
209.00868	0.7
212.41370	0.4
213.01863	3.3
215.03355	3.6
217.01305	0.7
219.02882	10.3
219.27689	0.4
221.00829	19.4
221.04384	14.3
221.06630	0.6
222.01445	0.4
223.02338	0.5
228.99564	0.4
229.01350	4.0
230.01994	0.9
231.02866	29.0
232.03279	0.8
233.00812	1.4
241.01257	2.8
247.02376	16.9
248.02682	0.4
249.03926	11.5
257.00793	7.8
258.01236	0.4
259.02359	32.3
260.02814	1.2
265.03391	1.8
275.01837	21.4
276.02615	6.1
277.03415	100.0
278.03778	1.8
285.00293	7.6
289.03430	0.9
293.02881	4.0
302.00485	1.0
303.01328	84.0
304.01675	2.1
315.01395	0.4
321.02362	13.8
339.03448	28.6
344.03885	0.4
363.03650	0.8
385.05563	0.4
419.06113	0.8
429.04703	0.8
447.05582	3.3
465.06641	5.1
483.07800	4.5
529.91052	0.4
767.07373	1.4
785.08228	98.5
786.08521	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	970.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99743	0.8
69.03422	19.9
69.03769	0.9
71.01296	0.9
71.04949	0.4
71.61335	0.6
77.41212	0.3
79.05452	0.6
81.03407	32.3
83.01273	1.4
85.02894	1.9
85.16698	0.4
91.05444	0.8
94.42892	0.4
95.01293	0.4
95.04948	0.4
97.02894	2.7
97.20150	0.3
99.04393	1.3
105.03351	0.6
107.04887	1.3
109.02865	15.3
111.04360	0.7
117.03353	1.1
119.04903	0.6
125.74698	0.4
127.03896	6.0
131.04866	0.7
132.50465	0.4
133.02797	1.2
135.04338	0.9
137.02228	0.6
145.02754	0.9
147.04391	2.5
151.03812	1.0
153.01796	2.6
157.02829	1.1
161.02374	2.2
163.03905	6.4
165.01779	1.5
173.02367	2.2
175.03889	3.3
177.01822	0.5
179.03403	2.2
185.02280	0.9
187.03902	3.9
189.00208	0.5
189.01782	5.2
190.02490	0.6
191.03375	8.9
193.01216	1.1
193.04907	0.5
201.01785	5.6
202.02510	0.6
203.03363	4.5
205.01248	0.8
207.02872	7.1
209.00696	0.6
213.01846	3.1
215.03331	4.4
217.01309	8.8
218.02060	0.9
219.02858	11.3
221.00737	1.3
221.04347	0.6
229.01305	4.7
230.01924	0.8
231.02846	18.1
235.02339	14.9
239.01767	0.6
241.01358	2.9
245.00812	10.0
247.02354	13.5
248.02988	0.5
249.00145	0.4
249.03891	0.7
257.00797	9.0
258.01324	0.5
259.02347	33.9
260.02661	0.6
261.03851	0.5
263.01852	5.7
273.00293	9.6
274.01019	0.7
275.01828	19.7
276.02634	8.3
277.03400	96.5
278.03738	1.9
285.00241	6.7
287.01944	1.1
289.03372	1.4
291.01276	3.6
297.04053	0.7
300.99792	3.6
302.00510	1.0
303.01309	95.2
304.01480	2.2
305.02853	1.8
319.00836	5.7
321.02347	5.0
331.00693	1.1
337.01868	27.7
338.02533	0.5
339.36542	0.4
343.04309	0.4
344.03867	0.4
349.02051	0.9
379.02847	0.6
407.02515	1.3
411.03171	0.6
429.04434	2.7
445.03995	1.7
445.37317	0.4
447.05524	0.7
463.05060	7.7
481.06204	1.4
501.55908	0.4
765.05237	1.2
783.06647	100.0
784.06763	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	969.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	1.2
69.03423	2.2
69.51434	0.6
69.53441	3.2
69.53855	1.5
79.05489	1.8
80.04995	0.7
81.03406	1.5
82.06596	1.1
85.02895	4.8
85.28922	0.6
87.04450	0.6
91.05486	2.1
93.05779	0.6
93.07034	4.2
94.06554	7.7
95.04948	0.6
95.07352	4.1
95.08581	1.0
96.08114	10.7
97.02877	2.4
97.06525	0.9
99.04427	0.7
99.30424	0.5
103.05453	0.6
104.86476	0.5
106.06547	1.4
107.07381	1.1
108.04486	2.2
108.08107	18.5
108.94975	0.6
110.09668	21.0
120.04462	1.3
120.08095	15.7
122.06014	6.5
122.09681	3.6
124.07597	3.4
127.03883	1.3
130.39256	0.6
132.04457	0.8
132.08070	0.7
134.06044	1.8
134.09607	0.7
136.07571	15.2
136.11519	0.6
137.08388	1.2
138.05418	0.7
138.09129	32.6
139.09489	0.6
144.04379	0.8
146.05984	1.1
146.26707	0.5
148.07558	8.0
150.09131	8.3
152.07097	3.1
153.01845	1.2
160.03949	3.8
160.07526	1.1
162.05554	0.8
162.09151	0.5
164.07071	1.4
166.08624	55.9
167.07060	0.7
168.10202	4.9
172.00124	0.6
172.03886	6.0
174.05525	1.0
174.09157	1.4
178.05026	0.8
178.92085	0.6
184.07547	0.7
190.04974	5.6
197.10768	0.9
198.11569	1.7
199.08691	1.4
199.12302	0.6
204.06564	7.5
208.09886	0.6
209.10841	1.1
210.11481	1.5
211.08653	2.6
211.12326	3.0
212.09459	1.1
212.13057	1.0
213.10172	4.4
221.10803	0.6
222.11455	1.0
223.08646	7.8
223.12170	3.1
224.09392	1.8
224.13109	1.3
225.10194	27.6
225.13882	2.4
226.08691	0.8
226.10834	5.8
227.11748	9.1
228.12503	1.4
229.13254	1.0
235.08710	1.0
235.12375	1.1
236.09325	1.3
236.13011	1.4
237.06674	1.1
237.10213	14.6
237.13824	2.9
238.10959	11.6
238.14677	1.2
239.08173	3.1
239.11766	22.4
240.10222	1.1
240.12500	6.3
241.09726	0.9
241.13358	3.9
244.09785	1.0
245.12982	0.8
246.07629	1.1
249.10208	4.4
249.13878	0.6
250.10925	4.8
250.13269	0.5
251.08202	11.9
251.11838	18.8
252.08775	0.7
252.10199	0.8
252.12462	5.2
253.09770	12.9
253.13405	13.1
254.10519	6.6
254.14076	1.0
255.11401	2.8
255.14981	1.6
257.12854	0.9
263.08698	1.0
263.11746	6.1
264.08679	3.4
264.12552	4.3
265.09778	31.1
265.13388	21.2
266.10544	15.7
266.14130	3.4
266.35516	0.6
267.11328	12.1
267.14911	3.3
268.09521	0.8
268.12167	1.0
269.09445	1.0
269.12869	4.4
270.10245	0.9
271.10852	5.4
271.14258	1.6
272.11508	1.0
273.12247	3.2
273.97714	0.6
275.11749	1.3
276.12595	1.3
277.09790	2.4
277.13275	2.7
278.10599	2.3
279.11264	26.4
280.09369	1.1
280.12152	2.9
281.09744	0.8
281.12833	18.0
282.10080	1.6
282.13550	2.5
283.10828	20.7
283.14410	9.7
284.11469	4.5
285.12311	41.4
286.13205	3.8
287.13913	2.4
289.15399	0.8
291.11285	3.8
292.12088	2.2
293.12775	11.8
294.13495	5.0
295.10843	3.0
295.14417	7.4
296.11414	2.8
297.12299	19.0
298.13147	8.4
299.13901	20.5
300.14722	1.6
301.12286	0.8
301.15427	5.0
305.09213	1.3
307.10703	8.1
307.99207	0.6
308.11490	1.4
309.12274	11.9
309.15707	0.9
310.13019	3.1
311.10397	1.3
311.13846	19.3
312.14505	1.0
313.15387	2.7
315.13644	1.2
316.14655	0.8
318.16037	0.8
319.10828	2.3
320.11606	1.6
321.12302	9.2
323.10324	2.9
323.13776	0.8
324.11212	1.3
325.11807	28.0
325.14828	1.5
326.12439	8.7
326.15738	0.7
327.13361	57.9
328.14017	1.9
329.15814	1.0
330.16104	0.9
332.17526	1.3
337.11829	10.0
338.12555	16.3
339.13400	20.3
339.17471	1.3
340.14001	1.0
341.11172	1.2
341.14966	1.6
343.12842	2.9
344.13742	1.5
344.17535	1.1
345.14658	1.5
346.15475	1.4
353.14981	1.1
355.12997	1.6
357.14447	12.3
358.15265	5.9
358.18961	0.7
359.15997	9.0
360.16779	0.7
362.18674	0.9
367.13068	0.7
369.14325	3.0
370.15298	2.5
371.16046	5.4
372.17068	2.6
374.18860	0.8
376.16452	0.7
378.18234	1.2
384.17053	0.7
386.18777	1.5
387.15637	0.9
388.16367	1.0
390.18170	2.5
391.19125	1.4
392.19879	1.9
393.20520	1.1
400.16592	1.8
404.19858	2.7
406.17288	0.8
414.18207	1.4
416.19809	1.8
417.16595	0.8
418.17291	9.6
420.19159	1.7
422.20737	2.0
423.21472	0.7
428.19705	1.0
430.17673	1.9
432.19226	5.0
434.20874	2.1
436.18277	1.2
442.17740	1.6
444.19141	2.0
445.20016	0.8
446.21201	6.1
447.21567	1.0
448.18680	3.2
448.23508	1.3
450.20276	7.0
451.20880	2.8
454.17526	1.1
458.17419	0.7
460.18652	3.8
462.20200	4.3
463.20911	1.7
464.21704	4.4
465.22552	5.2
466.23712	2.6
472.18896	2.0
473.19446	1.6
474.20181	4.6
476.17911	1.0
478.19839	0.8
480.21255	5.2
487.17374	1.0
489.18320	0.7
490.19702	14.4
491.20508	16.2
492.21249	59.4
493.21695	1.9
494.22333	0.8
506.22794	1.5
509.21466	7.4
510.22604	0.8
522.22375	7.7
523.23096	69.5
524.23883	48.6
525.24255	1.1
569.27362	1.4
585.27203	1.6
587.28442	6.9
594.23865	0.7
595.25549	2.5
596.25433	0.8
612.24811	0.8
613.26489	61.8
614.26575	1.4
624.25409	1.1
627.27209	1.4
635.24548	1.5
636.25610	2.2
645.29138	100.0
646.29266	3.2
652.25488	2.6
653.25690	51.2
654.26520	16.1
673.28101	1.2
684.27673	1.1
685.28333	44.4
686.29028	10.9
739.29791	2.9
757.30603	4.0
775.31665	15.6
789.34161	1.1
807.34351	6.5
815.30762	3.5
847.30859	0.7
937.35455	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.8
69.03415	2.3
70.06592	0.8
71.05007	0.6
79.05484	1.1
80.05038	0.7
81.03413	2.0
81.07055	0.6
83.35606	0.5
85.02901	5.0
91.05453	1.7
93.05771	1.2
93.07030	2.0
94.06556	4.9
95.04986	0.7
95.07334	2.1
96.08115	6.7
97.02874	2.5
99.04463	0.9
101.09976	0.4
103.05435	0.7
106.06573	2.6
107.07315	1.3
108.04465	0.9
108.08101	10.3
109.02884	1.3
110.06029	0.8
110.09670	8.4
116.04974	0.8
118.06542	0.7
120.04460	2.2
120.08092	8.7
121.02863	0.5
122.06009	9.8
122.09665	3.2
123.04311	0.7
124.07575	5.7
125.61133	0.6
127.03918	1.4
132.08078	0.8
134.05991	1.9
134.09711	0.5
136.07559	19.8
137.08308	1.1
138.05447	0.8
138.09120	17.7
144.04434	2.9
145.04909	0.6
146.05984	8.7
146.07062	0.7
147.04413	1.0
148.07559	13.7
150.09113	8.2
152.07039	16.7
153.01823	1.8
158.05988	0.7
160.03979	1.5
160.07559	1.7
162.05515	1.9
164.07037	6.2
165.07964	0.6
166.08617	39.4
167.07022	0.7
167.09335	0.7
170.09496	0.7
172.03917	20.1
174.05498	1.7
174.09123	2.3
176.07063	2.5
178.08594	0.8
182.08133	1.7
182.09605	0.6
186.09193	0.6
188.07085	0.7
190.04962	16.0
192.06525	0.7
192.10280	0.6
194.08090	1.0
197.10713	1.3
198.09334	0.6
198.11533	1.9
199.12296	1.0
200.07072	0.7
204.06548	25.9
205.06961	0.9
209.10745	1.1
210.09575	0.4
210.11403	2.5
211.12280	4.2
212.09276	0.9
212.13104	1.7
213.03322	0.5
213.10251	0.8
218.08105	1.5
221.10771	1.0
223.08704	0.7
223.12265	3.2
224.09355	0.8
224.12955	0.9
225.10220	5.9
225.13812	2.1
226.10921	3.7
227.11780	3.9
229.09770	1.2
229.13287	1.2
235.08519	1.1
235.12279	1.5
236.09363	1.5
236.12938	0.6
237.10201	6.2
237.13948	1.2
238.10913	4.6
239.11778	8.0
240.12505	1.0
241.09743	1.0
241.13322	2.1
243.11407	1.2
245.12787	0.8
246.07735	1.0
247.12331	0.7
248.09425	1.2
249.10188	5.1
250.10867	5.4
251.08025	1.2
251.11783	12.7
252.08971	0.9
252.12579	3.3
253.09723	2.9
253.13319	5.9
254.10545	0.7
255.11365	4.5
256.12146	1.8
257.12854	1.9
258.13611	0.7
259.14389	1.4
261.10220	0.5
262.11032	1.5
263.07709	0.7
263.08829	0.8
263.11746	14.5
263.14420	0.8
264.08688	2.7
264.12460	3.3
265.09756	6.8
265.13397	8.9
266.10541	4.8
266.13538	0.8
267.11243	14.0
267.14035	0.9
268.12000	1.9
269.12836	5.0
271.10806	2.6
271.14444	4.4
273.12253	3.5
275.11758	1.2
277.09763	2.6
277.13196	1.0
278.10471	3.1
279.11237	25.2
280.11942	4.6
281.12836	10.8
282.10260	0.9
282.13654	1.6
283.10800	4.1
283.14124	1.0
284.11554	8.7
285.12305	28.8
286.12936	1.6
287.13989	2.2
289.15396	3.2
291.11246	13.5
291.14325	0.4
292.12048	3.6
293.09329	1.7
293.12744	13.2
294.10190	0.6
294.13470	0.9
295.10782	4.7
295.14215	0.9
296.11575	4.9
296.14624	0.8
297.12299	39.0
298.13049	3.1
299.13852	7.9
300.14407	0.6
304.08447	0.8
305.12775	0.6
307.10699	3.1
308.11282	0.8
309.12302	19.2
310.12939	3.7
311.10233	4.3
311.13934	5.5
312.11102	0.9
312.14420	0.7
313.11774	2.0
313.15350	1.2
315.13525	1.3
319.10742	9.1
320.11307	0.7
321.12314	9.5
323.10291	10.1
323.13995	1.4
324.11014	1.5
325.11798	20.1
326.12463	1.8
327.13364	11.5
328.14233	0.8
330.15952	0.9
332.17719	1.1
337.11777	51.4
338.12274	3.0
339.13428	8.1
340.14471	0.8
341.11426	1.8
341.15106	1.5
342.16000	0.7
343.12936	3.8
344.13684	0.7
344.17499	0.6
346.19177	1.2
351.13513	1.4
355.12961	2.4
356.13840	1.0
357.14441	10.3
358.15253	2.4
359.16104	1.2
360.16879	0.7
362.18530	0.8
367.12704	0.8
368.13617	0.7
369.14523	5.3
370.15607	1.3
371.16058	2.8
372.17160	1.5
373.14117	0.8
374.18823	1.2
376.20602	1.1
385.13809	1.8
386.18674	1.1
390.18149	1.8
392.19659	1.9
399.15265	2.6
400.16309	2.9
401.17010	1.5
402.17938	2.6
404.19870	2.4
406.17322	0.8
412.16690	2.6
414.18182	1.3
416.19775	1.7
417.15558	0.6
418.17630	2.0
420.19321	1.7
421.19684	1.1
421.44772	0.7
422.20767	1.8
425.17197	0.6
428.19751	1.3
430.17502	6.4
431.18628	0.8
432.19067	5.6
433.19778	0.8
434.20584	1.0
436.18677	1.5
442.17288	2.7
444.19064	1.9
446.21106	3.0
448.18539	11.5
449.19397	9.5
450.20200	11.2
450.26242	1.0
460.18579	8.8
461.19110	2.7
462.20276	5.2
463.20996	1.2
469.15982	1.9
472.18600	2.2
474.20084	2.9
476.17700	2.5
477.18814	3.4
478.19354	2.7
480.21277	2.9
481.16129	1.0
487.16974	6.3
490.19690	21.8
491.20248	1.9
492.21271	9.4
499.17383	0.9
505.18286	1.2
519.19849	1.2
522.22229	11.9
523.23059	2.3
524.23065	1.2
567.26019	0.7
594.24329	2.1
595.25385	5.5
608.25812	2.1
611.24792	1.4
612.25269	2.3
613.26495	100.0
614.26807	3.4
616.22644	0.8
622.23944	1.5
624.25153	1.0
634.23535	3.2
636.25360	1.7
645.29059	29.2
646.29376	1.0
652.24884	24.2
653.25720	5.6
654.26471	2.2
666.25458	0.8
671.44171	0.6
684.27533	16.2
685.28259	4.4
686.28644	0.7
739.29559	2.0
757.30414	4.6
774.30402	1.2
775.31732	56.5
776.31628	2.4
778.27966	2.0
796.29303	2.2
807.34302	18.3
808.34943	1.2
814.30176	7.4
815.30457	1.8
846.31964	1.5
901.35101	1.2
919.35345	1.1
937.36890	4.7
969.38721	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	2.5
69.03382	0.7
69.52683	0.6
69.53108	1.3
77.54460	0.2
79.05455	0.8
80.04989	0.4
81.03359	0.6
81.05768	0.4
82.06537	0.6
85.02853	0.9
91.05467	1.1
93.07033	2.4
94.06023	0.4
94.06563	5.4
95.04927	0.8
95.07346	2.7
95.08550	0.6
96.08123	7.0
97.02848	0.4
97.06488	0.8
98.20705	0.3
103.05479	0.4
106.06514	0.4
107.04888	0.3
107.07276	0.5
107.08440	0.2
108.04456	1.9
108.07438	0.4
108.08109	6.0
109.08891	0.5
110.09669	11.5
111.04407	0.2
114.75927	0.2
118.06475	0.5
120.07248	0.5
120.08096	8.7
121.06442	0.4
122.06021	9.6
122.09611	1.2
124.07607	1.0
127.03878	0.4
132.04384	0.7
132.08047	0.3
134.06000	2.2
136.07558	5.4
137.08333	0.3
138.09126	17.3
146.05943	0.7
146.09648	0.4
148.07558	3.8
150.05466	0.3
150.09125	3.7
151.12508	0.2
152.07066	2.7
153.01794	0.3
160.03925	6.7
160.07533	0.3
162.05486	0.6
162.09151	0.4
164.07045	3.2
166.08623	26.6
167.09073	0.2
168.10150	0.5
172.03947	1.3
174.05457	0.5
174.09109	0.6
178.04956	2.6
182.08025	0.2
187.08687	0.2
190.04962	1.1
192.06470	0.7
194.08055	0.3
196.09808	0.3
197.10754	0.6
198.09167	0.4
198.11398	0.4
199.08658	1.4
199.12238	0.3
200.07010	0.3
204.06531	1.6
209.10707	0.5
210.11383	0.4
211.08676	2.1
211.12190	1.5
212.09415	1.0
212.12973	0.4
213.06551	0.3
213.10229	2.1
213.13887	0.3
221.10696	0.7
222.09480	0.3
222.11224	1.0
223.08612	2.7
223.12076	1.4
224.07272	0.2
224.09370	0.9
224.13055	0.7
225.10216	12.7
225.13487	1.0
226.08765	0.2
226.10921	4.2
227.11763	3.9
229.13268	0.6
232.09836	0.2
234.11401	0.2
235.08479	1.4
235.12144	1.2
236.09207	1.3
236.12984	0.5
237.10197	5.5
237.13799	2.5
238.10927	3.8
238.14490	0.3
239.08105	5.2
239.11757	12.4
239.15523	0.5
240.08742	0.4
240.12471	3.7
241.09665	1.3
241.13321	1.1
243.14893	0.4
247.12216	0.6
248.09030	0.5
248.11041	0.4
248.12993	0.4
249.10196	5.3
249.13951	0.5
250.10912	5.9
251.08142	3.5
251.11757	16.8
252.08665	1.2
252.12573	3.9
253.09694	4.9
253.13321	10.4
254.10461	12.5
254.13715	0.5
255.08730	0.2
255.11159	1.4
255.14871	0.7
257.09299	0.3
257.12756	0.4
261.10251	0.3
262.10938	0.5
263.11771	10.4
264.09073	1.0
264.12546	8.9
265.09747	5.4
265.13321	21.9
266.10486	2.9
266.13986	2.0
267.11252	6.3
267.14844	2.6
268.12027	1.0
269.09625	0.5
269.12863	1.3
271.10703	2.1
271.13776	0.4
272.11377	0.3
275.11801	0.9
276.10056	0.3
276.12747	0.4
277.09698	1.9
277.13315	1.0
278.10364	2.3
279.08218	0.4
279.11240	8.4
280.11960	1.2
281.09735	0.5
281.12814	12.3
282.10406	0.4
282.13510	2.8
283.10760	6.6
283.14377	4.6
283.17456	0.3
284.11526	1.7
284.14651	0.4
285.12299	10.7
286.13147	2.0
291.11249	3.2
291.14423	0.4
292.12021	1.4
293.09274	0.9
293.12762	8.2
294.10098	1.1
294.13562	2.5
295.10776	2.9
295.14377	1.6
296.11511	4.4
296.14841	0.3
297.12302	6.9
297.15643	0.5
298.13150	2.1
299.13879	14.0
300.14386	0.5
301.12708	0.2
303.11304	0.3
305.09204	0.5
306.09988	0.4
307.10721	1.1
307.14249	0.4
308.11539	1.5
309.12302	61.9
310.12891	4.2
311.13861	25.1
312.14279	1.0
313.11697	1.1
313.15314	0.3
319.10770	2.0
320.11456	1.6
321.12280	5.1
321.16040	0.4
323.10233	0.9
323.13910	0.6
324.11072	1.7
325.11783	3.4
325.15302	0.4
326.12653	1.6
327.13358	82.2
328.13708	2.8
329.14969	0.4
330.15970	0.6
335.13992	0.4
337.11783	12.8
338.08380	0.5
338.12534	9.1
339.13364	17.0
340.13821	0.6
341.14972	2.8
343.13004	0.3
343.16785	0.2
344.13882	0.8
344.17816	0.3
345.14557	0.4
351.13327	0.5
353.14963	0.9
355.12762	0.6
356.13611	0.7
357.14453	5.3
358.15158	2.4
359.15985	8.6
360.16470	0.4
363.13623	0.3
369.14407	28.9
370.15085	3.4
371.15985	39.1
372.16672	2.0
373.17810	0.4
386.18652	2.0
387.15744	0.5
388.16345	0.3
393.14310	0.3
400.16516	0.8
401.17166	0.4
402.18103	0.7
404.19699	2.2
412.16418	0.4
414.18109	2.1
416.19650	11.2
417.20169	0.4
418.17560	0.8
419.18549	0.3
420.18863	0.6
430.17401	3.0
430.22534	0.3
432.13657	0.1
432.19128	5.5
442.17642	3.1
446.20929	0.8
448.18539	10.3
449.19205	0.5
450.19824	0.4
460.18625	46.0
461.19104	1.3
464.22049	0.7
471.17639	0.4
472.18542	0.2
474.20273	3.1
478.19724	1.0
480.21262	42.2
481.21783	1.2
490.19598	1.2
491.20432	0.6
492.21252	100.0
493.21588	2.9
503.47076	0.2
506.22876	0.5
522.22278	2.0
523.23077	0.9
524.23682	1.8
567.27094	0.3
569.27686	0.7
585.27118	0.5
595.25330	3.6
604.22662	0.5
610.23785	0.3
613.26489	74.0
614.27020	2.9
618.25134	0.3
622.23547	0.5
624.25128	0.9
627.27972	2.6
631.27368	0.8
636.25116	1.1
645.29120	34.1
646.29370	1.4
652.24457	0.4
654.26465	3.2
685.29395	0.3
739.30341	0.5
757.30438	1.2
775.31750	1.4
789.33368	0.4
807.34216	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	0.9
67.09846	0.4
68.08022	0.5
69.03413	2.1
73.02882	0.5
79.05460	1.3
81.03407	1.3
85.02888	3.7
91.05468	1.2
93.05733	0.7
93.07040	1.4
94.06557	4.7
95.04945	0.5
95.07340	1.8
95.08593	0.7
96.08114	5.6
97.02869	1.3
97.06528	0.6
98.21608	0.9
99.04416	0.7
106.06543	1.9
107.07346	1.2
108.04484	0.8
108.08105	12.0
109.02779	0.5
110.06036	0.6
110.09664	10.9
116.04975	0.8
118.06522	0.7
120.04475	2.5
120.08092	9.2
122.06020	8.2
122.09669	3.1
123.06762	0.5
124.07567	5.6
127.03893	0.5
132.08086	0.9
134.06027	2.3
134.09587	1.0
136.07568	17.0
137.08377	0.6
138.05467	1.3
138.09131	14.9
144.04434	2.2
146.05995	5.9
146.09608	0.5
148.07565	10.7
150.05511	0.8
150.09132	7.3
152.07056	12.9
160.03944	1.8
160.07573	1.3
162.05479	2.2
162.09171	0.7
164.07025	4.3
166.08623	31.6
170.09604	0.5
172.03915	16.4
174.05522	1.0
174.09158	1.4
176.07089	2.1
178.05025	0.5
178.08617	0.7
180.10109	0.5
182.08173	1.0
186.05453	0.5
190.04968	11.7
192.06535	0.9
192.10329	0.6
194.08113	0.8
197.10785	1.6
198.11514	1.9
199.12286	0.8
204.06537	22.3
209.10648	1.0
210.09526	0.6
210.11504	3.5
211.08772	0.6
211.12260	4.7
212.09283	1.3
212.13069	1.5
213.10220	0.8
213.13904	0.7
218.08118	2.0
220.14908	0.5
221.10699	0.8
222.11589	0.9
223.08611	0.9
223.12225	3.6
224.09457	1.5
225.10219	7.5
225.13895	1.6
226.10872	3.6
227.11725	4.5
229.09717	0.8
229.13310	1.1
235.08655	1.0
235.12338	1.7
236.09464	1.5
237.10217	5.3
237.13812	0.8
238.10945	4.4
239.08197	0.7
239.11748	8.9
240.12619	0.7
241.13383	1.4
243.11380	0.6
245.12772	0.7
246.07600	0.5
246.84883	0.5
248.09467	1.0
249.10245	5.6
250.10922	6.3
251.08142	1.2
251.11778	12.6
252.08800	1.1
252.12541	3.1
253.09708	2.4
253.13387	4.9
255.11292	3.5
256.12027	2.7
257.12805	1.0
262.11105	1.5
263.08850	0.9
263.11768	15.0
263.14438	1.0
264.08936	1.9
264.12531	3.2
265.09793	5.9
265.13376	8.7
266.10486	4.6
266.13510	0.7
267.11270	14.5
268.11896	1.3
269.12799	4.2
270.09967	0.5
271.10852	2.1
271.14413	3.9
273.12247	2.4
275.11832	0.9
276.08823	0.6
277.09763	3.0
277.13300	1.3
278.10446	4.2
279.11270	24.6
280.12051	4.0
281.12784	10.2
282.09979	1.3
282.13361	0.8
283.10812	4.3
283.14383	1.8
284.11517	8.8
285.12296	27.2
286.13028	1.4
287.13971	2.3
289.15485	1.8
291.11234	14.9
292.11960	2.8
293.09247	2.0
293.12729	11.2
294.09854	0.6
294.13419	0.8
295.10800	3.0
295.14386	1.3
296.11508	4.1
297.12305	34.2
298.13144	2.4
299.13928	6.2
304.08600	0.6
307.10651	2.3
308.11517	0.8
309.12292	17.6
310.13013	3.1
311.10233	3.9
311.13937	4.0
312.11047	0.7
313.11829	2.0
313.15475	1.0
316.14462	0.7
319.10730	9.8
319.14120	0.5
321.12271	10.1
323.10287	7.0
323.13885	1.0
324.10913	0.9
325.11804	17.9
326.12418	0.9
327.13300	8.7
330.16162	0.6
337.11780	46.3
338.12454	3.5
339.13330	5.0
340.14261	0.6
341.11243	2.0
341.14777	0.9
342.15961	0.8
343.12949	2.4
344.13791	0.7
344.17575	1.0
346.19141	0.7
351.13513	0.7
355.12930	1.7
357.14456	9.2
358.15283	1.6
359.16028	1.7
360.16959	0.7
362.18558	1.0
365.64447	0.5
367.13028	0.6
369.14377	3.9
370.15363	1.3
371.16098	1.9
372.16962	1.3
374.18842	0.6
376.20523	0.8
382.15887	0.6
384.17191	1.0
385.14059	1.0
386.14569	0.6
388.16373	1.0
390.18051	1.4
392.19534	1.0
399.15518	1.7
400.16504	1.9
401.17776	0.7
402.18213	1.4
404.19870	2.8
406.17480	0.8
412.16827	1.4
414.18369	1.1
416.19864	1.3
418.17563	2.0
420.19299	1.3
421.19983	1.1
422.20801	1.5
430.17557	5.2
431.18542	1.1
432.19238	4.3
436.18652	1.4
442.17596	2.7
444.19202	1.9
446.20831	3.3
448.18521	10.5
449.19418	8.6
450.20197	9.2
450.26099	0.7
460.18683	7.8
461.19162	2.4
462.20197	3.4
463.20914	1.0
469.15854	0.8
472.18564	2.7
474.20425	3.0
475.45142	0.5
476.18069	2.9
477.19049	2.8
478.19778	2.1
480.21353	3.5
487.17059	4.7
490.19681	20.0
491.20422	2.4
492.21213	8.9
505.17786	0.6
519.19757	1.4
522.22266	10.7
523.23083	6.3
524.23737	3.8
567.26080	0.9
594.24481	2.0
595.25513	5.6
608.25665	1.3
611.24719	1.9
612.25421	2.6
613.26489	100.0
614.26935	2.6
634.24017	0.8
636.25598	1.4
645.29089	27.7
646.29138	1.0
652.24915	22.7
653.25531	4.3
654.26257	1.9
684.27570	14.3
685.28198	3.9
686.29059	0.8
712.01312	0.5
739.29108	0.9
757.30792	2.8
775.31732	50.5
776.32349	1.6
778.27576	0.9
807.34277	15.8
814.29993	3.6
937.36188	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01831	0.3
68.99781	0.5
69.03419	4.6
70.20786	0.4
70.21200	0.4
71.00961	0.3
71.01344	0.8
71.04974	0.5
73.02888	0.4
79.01830	0.3
81.03407	30.0
83.01337	1.0
83.04961	0.4
85.02888	1.8
87.00819	0.2
91.05462	0.4
91.74892	0.1
93.03377	0.6
95.01318	3.9
95.04941	0.3
97.02881	1.5
98.21500	0.1
99.00803	0.8
99.04436	1.4
101.02352	0.6
103.05448	0.7
107.01268	0.4
109.02867	16.0
111.00776	1.6
111.04434	1.0
113.02359	1.5
117.01809	0.4
117.03336	0.2
119.01286	0.4
119.03434	0.1
119.04919	0.7
121.02853	1.5
122.59927	0.2
123.00786	0.8
123.04453	0.2
125.02341	0.9
127.03897	3.2
129.01814	0.6
129.03343	0.5
131.04933	0.8
133.02834	0.3
135.04422	0.2
137.02327	4.3
139.00226	0.4
139.03894	1.8
141.01810	5.3
143.03429	0.4
145.02861	0.5
145.04918	0.2
147.04375	1.2
149.02347	0.9
151.00250	0.6
151.03833	0.3
153.01845	1.1
155.03368	0.7
157.01457	0.4
157.02840	1.1
158.41763	0.2
159.03032	0.2
159.04448	0.4
161.02335	0.3
163.00301	0.2
163.03882	1.1
165.01817	7.8
167.03391	5.0
169.01286	1.1
173.02321	1.4
174.03194	0.2
174.86887	0.2
175.00195	0.3
175.03871	2.3
177.01842	1.8
179.03387	0.5
181.01262	0.8
182.99315	0.2
183.00989	0.2
183.02864	4.6
183.04451	0.3
185.02339	1.2
185.04398	0.8
187.02240	0.4
187.03873	4.6
189.01822	0.4
191.03371	2.8
193.01305	11.4
194.01810	0.3
195.02861	1.7
197.00735	0.5
201.01805	3.6
201.03896	0.9
202.02527	0.4
203.03365	3.6
205.01254	0.3
205.05002	0.2
207.02887	0.6
209.00877	0.4
211.02332	2.4
213.01814	2.8
213.03885	0.6
215.01456	0.3
215.03368	3.6
217.01353	1.3
219.02850	3.2
221.00783	37.2
222.01132	0.6
223.02336	0.5
227.03438	0.3
229.01279	3.2
229.03415	1.8
229.05086	0.1
230.02066	0.4
231.02853	19.8
232.03391	0.2
233.04388	0.2
235.02406	0.5
237.00365	0.3
239.01831	24.7
241.01276	3.0
241.04967	0.2
243.02795	0.4
245.00766	1.0
245.04422	0.4
246.01505	0.2
247.02361	7.2
249.03940	0.4
257.00769	4.4
257.02753	0.3
258.01553	0.3
259.02350	31.8
260.02814	0.5
261.03915	0.5
263.01859	1.0
267.01227	0.2
269.00900	0.2
269.04373	0.2
271.02377	0.5
273.00262	1.0
273.03583	0.3
275.01831	9.2
276.02597	3.4
277.03400	100.0
278.03772	1.2
281.02960	0.4
285.00302	3.5
285.03580	0.3
287.01855	0.7
289.03360	0.8
291.01434	0.3
293.03119	0.4
293.06516	0.6
297.03970	0.4
299.01801	0.5
300.99817	0.3
301.03387	0.4
302.00516	0.7
303.01309	51.6
304.01721	0.6
305.02756	1.1
309.02435	0.2
313.03439	0.7
315.01413	0.8
315.04651	0.2
317.02942	0.5
319.00696	0.5
319.04282	0.2
321.02390	5.1
321.06082	0.4
325.03198	0.2
328.99268	0.5
329.02826	0.3
331.00784	0.9
331.04413	0.3
333.02142	0.2
341.02939	0.6
343.00784	0.2
345.02371	0.3
347.04001	0.3
349.01941	0.4
359.03769	0.3
365.05075	1.4
367.04553	0.2
369.02338	0.5
377.05038	0.2
387.03510	0.3
403.03021	0.2
405.04446	0.2
411.03229	0.4
429.04486	0.8
431.02371	1.1
433.03958	0.3
435.01904	0.5
447.05380	0.6
449.03455	1.2
451.04874	0.4
453.02737	0.3
459.01376	0.3
467.04449	0.4
477.02908	2.8
495.04019	13.0
513.05060	0.2
575.06671	0.3
579.05994	0.6
595.09277	0.2
603.05908	0.3
621.07178	1.5
639.08234	3.4
657.09460	0.2
685.05017	0.2
959.09772	9.9
960.09277	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6138
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	41.7
69.03416	2.6
69.07063	11.0
70.53899	1.1
70.54295	1.0
71.04984	1.8
73.02914	3.1
73.03235	0.6
77.03915	0.9
79.05484	29.2
81.03396	1.3
81.07050	47.8
83.04964	1.8
83.08605	6.3
85.02898	13.5
85.06523	1.5
91.03952	9.7
91.05473	17.5
93.07035	35.5
93.20530	0.6
95.04962	3.8
95.08598	38.2
96.04448	0.6
97.02884	8.3
97.06544	2.8
97.10146	2.7
99.08104	0.6
103.05460	0.6
105.07021	15.4
107.08588	21.7
109.06508	1.1
109.10145	17.2
111.08058	1.4
111.11658	0.6
113.09631	0.8
115.03983	0.7
115.05448	0.6
117.06999	5.9
119.08581	13.2
121.10134	17.0
123.08097	0.8
123.11704	7.1
125.09602	1.0
127.03904	3.3
129.06992	1.7
131.08557	10.0
133.10115	11.9
135.11682	13.6
137.09589	0.6
137.13252	2.4
143.08553	2.2
145.04965	5.1
145.10112	7.4
147.11678	9.6
149.13239	7.9
151.14839	1.3
157.10069	1.9
159.11664	8.6
161.13243	6.6
163.05986	6.9
163.14822	5.2
171.11661	2.3
173.13248	7.0
175.14789	3.7
177.12822	1.0
177.16370	1.7
183.11711	0.7
185.13252	2.1
187.14810	3.4
189.16328	1.3
199.14803	1.4
201.16447	1.7
213.16354	1.5
215.17957	1.4
217.19591	0.6
231.21098	0.9
233.22519	0.6
239.47536	0.5
241.19554	3.0
243.21092	6.7
247.20456	0.7
257.19113	0.6
259.20511	8.8
261.22125	19.3
263.23709	2.3
271.24335	0.6
273.22406	0.8
275.23557	0.6
277.21619	0.8
279.23206	1.0
285.21933	0.7
299.23660	0.7
301.25183	0.8
309.24060	0.6
315.23398	0.9
315.26816	0.8
317.24744	2.5
331.22614	0.6
333.24225	8.6
335.25772	100.0
336.26068	1.2
337.27319	13.1
348.03690	0.6
371.29391	0.7
491.37473	0.6
503.36661	0.8
503.42960	0.9
515.37524	0.6
517.38892	0.9
521.43524	3.0
529.39130	1.0
539.44507	0.8
543.40021	1.1
595.47150	18.7
613.48236	28.2
652.67316	0.6
929.19098	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.51
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	93.4
68.77037	1.7
69.03414	14.7
69.06716	3.4
69.07061	39.1
69.27485	24.3
71.01332	2.5
71.04990	12.7
73.02898	6.4
75.77538	2.3
79.05486	63.2
81.03410	71.2
81.07048	100.0
83.04974	31.0
83.08608	32.0
85.02424	3.2
85.02897	37.9
85.06527	6.9
91.03931	10.9
91.05472	89.6
93.06468	3.8
93.07037	63.8
95.04955	45.0
95.08592	41.7
97.02879	18.9
97.06524	21.6
97.10155	14.6
99.04459	3.3
99.08081	4.7
103.05437	2.4
105.04530	2.1
105.07018	61.0
107.04954	21.5
107.08588	37.5
109.02875	3.9
109.06518	15.0
109.09447	3.3
109.10143	30.9
111.04443	5.1
111.08093	15.3
113.05981	3.6
115.05444	2.7
116.04704	3.0
117.07018	12.5
119.04838	3.0
119.08559	42.0
121.06497	8.8
121.10124	21.7
123.08064	10.2
123.11690	8.4
125.09599	8.8
127.03896	8.9
127.07587	3.7
128.06207	3.0
129.05473	12.1
129.06970	19.6
131.08563	29.9
133.06480	6.8
133.10118	40.3
135.08014	8.4
135.11664	17.4
137.09602	10.6
141.06964	2.8
142.07703	5.1
143.08531	6.4
145.05009	2.6
145.10088	15.9
147.04395	2.8
147.08035	7.9
147.11668	25.7
149.09601	21.4
149.13248	9.4
151.11203	4.9
157.10109	21.2
159.11693	12.3
161.09595	3.2
161.13161	3.9
163.06055	2.7
163.11153	13.2
165.12753	3.5
169.10188	2.4
171.06517	2.7
171.10237	2.2
171.11720	4.0
173.11702	11.0
173.13147	5.1
175.11159	17.9
177.12756	5.5
179.14246	2.5
181.12285	2.5
183.11633	3.7
185.13187	2.3
187.11215	3.8
189.12694	2.7
193.12218	59.1
195.13789	4.8
199.13289	4.0
207.86235	2.5
211.13257	69.3
227.12805	5.5
229.14314	9.9
239.17950	2.7
243.15851	5.8
249.14764	3.1
253.14394	3.4
255.15804	15.0
257.18982	5.5
267.15894	41.5
269.17438	17.5
273.18359	4.6
275.20029	23.1
283.15292	3.9
285.13998	4.2
285.16937	53.3
291.19427	5.8
301.16446	11.0
333.91904	1.9
347.22528	2.1
349.23721	27.4
365.23227	5.7
381.22723	3.5
421.25653	6.7
423.27313	5.9
435.27438	3.3
437.29282	2.9
439.26941	32.2
447.27377	5.1
453.28430	6.0
461.29144	2.7
462.29352	2.2
463.30222	2.4
465.28302	5.2
477.28162	6.3
479.30048	5.0
481.27701	6.0
495.29419	10.7
523.33783	2.4
541.35309	18.9
547.75000	2.2
559.36194	37.5
575.35529	9.2
577.37134	7.5
899.99030	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	951.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05474	1.3
69.03418	5.1
69.33215	0.7
70.06570	2.0
70.57906	0.7
71.60244	1.4
72.03259	0.7
73.02905	0.9
79.05478	2.9
80.04993	1.5
81.03412	6.0
83.04973	0.7
85.02907	5.9
86.94415	0.7
91.05468	3.4
93.05779	1.7
93.07023	2.9
94.06567	6.8
95.04956	2.1
95.07344	1.9
96.08129	6.4
97.02892	5.8
99.04440	0.8
100.71635	1.0
103.05457	1.8
105.07019	1.3
106.06532	2.2
107.04936	1.4
107.07294	1.5
108.04456	2.1
108.08109	15.4
109.02847	3.1
110.09674	10.3
118.06544	1.3
119.04900	1.0
119.08624	1.0
120.04475	2.5
120.08096	13.3
121.06432	1.1
122.06041	10.2
122.09666	6.9
123.04400	3.0
124.07570	3.4
124.11949	0.8
125.02306	1.3
127.03901	2.5
132.08066	2.0
134.06010	2.7
134.09624	1.6
135.04424	1.5
136.07564	24.6
138.05524	1.5
138.09131	16.8
139.03876	2.1
143.03360	1.7
144.04436	2.0
144.08127	1.1
146.05954	6.6
147.04395	1.8
148.07568	14.0
150.05496	1.0
150.09132	7.6
152.07069	12.5
153.01820	18.1
158.06006	1.3
160.03923	1.6
160.07565	3.4
162.05516	2.0
162.09108	1.2
163.03902	1.3
164.07082	5.1
166.08621	17.4
167.07082	1.6
167.08870	0.9
172.03932	9.2
174.05530	2.1
174.09105	1.9
176.07060	2.5
177.05414	1.0
178.04877	1.0
178.08633	0.9
180.10117	1.2
185.08379	1.0
186.09207	1.0
190.04956	8.1
194.08095	1.1
197.10751	2.3
198.11519	2.1
200.06979	0.9
202.08633	1.1
204.06505	6.6
209.10730	1.8
210.11433	2.3
211.12247	6.3
212.09367	1.3
212.12891	1.8
213.10181	1.7
213.13800	1.5
214.08609	2.0
214.10802	0.7
221.10663	1.0
223.12292	3.4
224.09483	1.4
224.13049	1.6
225.10205	6.3
225.13808	2.9
226.10985	3.1
227.11783	7.4
229.13307	1.0
235.12271	2.3
236.09355	1.7
237.10185	10.1
237.13829	2.0
238.08707	0.9
238.10887	4.5
239.11794	18.5
240.12532	4.6
241.13310	4.5
245.12817	1.0
246.11140	1.0
249.10184	4.1
250.10970	3.5
251.07928	1.6
251.11787	23.4
252.08844	1.5
252.12521	5.6
253.09682	2.4
253.13329	10.9
254.14052	1.6
255.11215	6.2
257.12784	1.7
262.10892	1.9
263.08170	1.0
263.08746	1.2
263.11752	12.1
264.08795	2.2
264.12509	3.9
265.09845	6.9
265.13290	8.7
266.10513	6.3
266.14050	3.5
267.11292	20.4
267.14404	1.3
268.11960	2.7
269.12817	3.7
271.10736	2.2
271.14209	1.8
273.12347	1.6
274.10696	2.1
275.11761	1.7
277.03427	1.0
277.09711	3.9
277.13229	2.4
278.10483	5.7
279.04800	1.1
279.08298	1.1
279.11261	26.5
280.12021	6.5
281.12805	13.2
282.13553	1.0
283.10696	2.3
284.11545	2.5
285.12286	13.4
287.13995	1.0
289.09778	0.9
291.11282	10.2
292.11945	3.0
293.09549	1.3
293.12833	9.5
295.10712	4.0
295.14359	2.6
296.11511	1.8
297.12360	18.5
298.12891	2.4
299.13800	6.7
303.11325	1.5
305.09299	1.1
307.10806	5.1
307.13977	1.2
309.12354	6.5
310.12875	3.4
311.10568	1.6
311.13837	11.8
312.14587	1.0
313.15387	1.7
315.13501	1.2
317.12897	1.2
319.10712	8.0
321.12302	8.1
322.12900	2.9
323.10129	4.1
323.13928	2.3
324.11075	1.3
324.14713	1.2
325.11972	6.8
325.15494	1.4
327.13440	5.6
328.14429	1.1
329.15210	1.0
330.15906	1.3
333.12274	1.9
337.11731	6.4
337.15338	1.6
339.13422	5.8
340.13989	1.0
341.14990	1.8
344.17422	1.2
351.13373	1.6
353.14853	2.9
354.15866	1.1
355.12686	1.5
356.13730	1.4
357.14240	2.8
357.18298	0.9
358.15524	1.4
359.16278	1.0
365.10956	1.0
365.14966	1.3
367.12759	1.3
369.14331	3.6
370.15399	1.6
371.16052	2.0
372.16846	2.1
373.17538	1.0
374.18491	0.9
376.20349	1.0
377.14948	0.9
379.12527	1.6
381.14386	2.7
382.15231	1.1
383.15900	2.2
384.17007	1.5
386.14465	1.3
386.18680	2.3
388.16086	1.2
393.14340	1.7
395.15912	2.6
397.13208	1.0
397.17917	1.4
398.14804	1.2
399.15326	2.3
400.16461	2.5
401.17023	1.1
402.18082	2.2
404.19623	2.2
405.14282	2.1
407.15970	1.7
409.13718	1.3
411.15295	4.8
412.16418	2.4
413.17349	1.3
414.17932	1.4
417.14825	1.0
419.15994	1.2
424.16156	1.1
425.17334	1.5
427.14938	1.4
428.19955	1.5
429.16574	6.0
430.17444	4.8
431.18295	1.7
432.18930	2.5
433.19748	0.9
435.15314	2.8
439.14880	3.0
441.16443	6.4
442.17294	1.7
444.18961	1.3
445.13824	1.8
446.20496	2.0
450.20258	1.7
451.14700	1.3
453.16559	4.7
459.17578	2.0
463.14862	2.3
465.16162	1.6
467.14395	1.4
469.16010	3.6
471.17740	4.5
472.18488	2.1
474.20248	1.5
481.15979	10.1
483.17337	1.0
499.16626	1.6
548.23633	1.0
556.19916	1.2
558.22552	2.0
566.25183	1.3
574.21442	2.4
578.24731	2.2
588.23279	1.3
590.24384	1.3
592.22784	2.7
593.23688	6.1
594.24542	5.6
598.22266	1.1
606.24628	6.3
608.25562	1.0
616.22968	1.9
618.24451	2.2
620.22058	4.8
621.22815	3.1
622.23596	2.8
634.23773	12.7
635.24786	2.1
636.25909	1.1
652.24689	2.0
666.26343	7.3
693.28503	1.6
703.26691	1.4
721.28674	6.7
728.29260	1.6
729.29077	1.2
739.29858	6.4
748.26801	1.3
753.31506	0.9
755.28864	1.0
756.29535	5.0
757.30768	41.5
758.30072	2.6
760.26910	2.3
778.28015	7.3
780.29358	1.4
784.28644	1.2
789.33228	6.9
796.29126	100.0
797.29755	15.2
798.30524	1.1
828.31848	17.0
829.32874	6.0
855.32874	1.3
865.32703	1.2
873.34857	1.0
883.33972	4.6
891.35913	1.0
901.35034	5.0
919.35956	32.3
920.35950	1.5
951.38690	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	951.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	6.2
69.73822	3.1
69.74229	7.2
70.06580	2.5
73.02909	1.8
79.05477	3.3
80.04985	2.4
81.03407	6.4
85.02888	8.9
89.93696	1.2
91.05463	4.6
93.07036	3.7
94.06549	6.7
95.04966	2.7
95.07332	3.0
96.08131	8.0
97.02892	3.5
97.06496	1.4
103.05457	2.4
105.07018	1.7
106.06536	1.6
107.04974	2.4
107.07327	2.4
108.04453	2.8
108.08106	25.2
109.02856	3.3
110.09670	14.0
115.28925	1.2
118.06473	2.3
119.04962	2.9
120.04492	2.9
120.08093	17.5
121.06502	1.3
122.05993	12.9
122.09661	7.9
123.04411	4.1
124.07554	4.4
127.03891	4.4
134.06013	3.0
134.09650	1.9
135.04393	2.0
136.07564	31.6
138.09119	19.7
139.03886	2.6
141.94901	1.7
146.05984	6.8
147.04379	4.1
148.07539	15.1
150.09096	9.5
151.03885	2.5
152.07059	13.9
153.01819	5.4
160.04016	1.7
160.07545	4.5
161.05994	1.9
162.05484	1.6
162.09103	3.6
163.03889	2.0
164.07079	6.5
166.08609	22.5
167.07051	4.1
172.03918	10.0
174.05502	5.0
174.09096	1.8
176.06999	2.5
177.05383	2.2
178.08644	2.1
180.10175	1.6
183.79991	1.4
186.09071	1.8
190.04956	9.9
192.06554	2.6
197.10689	2.7
198.11436	2.2
199.12280	3.2
202.08438	1.5
204.06625	6.7
204.08228	1.3
208.09712	2.5
209.10710	1.9
210.11436	2.7
211.12276	8.7
212.13049	2.7
213.10168	3.2
213.13774	2.4
223.12286	5.6
224.12978	1.7
225.10306	10.5
225.13831	4.2
226.11003	4.4
227.11829	10.3
229.13335	1.5
235.12375	2.4
236.09277	3.0
237.10252	10.2
237.13889	2.2
238.11121	7.2
239.11749	21.5
240.12503	5.7
241.13322	4.0
249.10144	7.9
250.10963	4.1
251.11772	25.9
252.12567	8.5
253.09792	4.2
253.13286	12.6
254.14061	2.8
255.11255	5.9
257.12714	2.0
259.14322	2.7
262.10992	2.2
263.11768	16.2
264.08881	1.8
264.12543	3.1
265.09875	10.0
265.13208	11.2
266.10464	8.1
266.14105	4.7
267.11270	24.9
267.14597	2.4
268.12018	1.9
269.12781	5.0
271.10785	2.2
271.14307	2.7
276.12555	1.6
277.09735	3.9
277.13376	4.8
278.10437	6.2
279.11230	38.3
280.08936	1.3
280.12079	7.9
281.12830	13.2
282.13306	1.6
283.10706	4.1
283.14200	2.1
284.11523	2.1
285.12265	18.9
291.11243	13.0
292.12094	4.2
293.09497	2.5
293.12759	12.9
295.10736	3.9
295.14026	2.5
296.11417	3.7
297.12311	19.7
298.13205	2.9
299.13974	5.1
305.12817	1.7
307.10696	4.8
309.12341	8.9
310.12863	4.3
311.10495	2.6
311.13824	16.9
312.14597	1.8
319.10629	8.7
320.11209	1.9
321.12308	10.2
323.10181	4.4
323.13730	3.1
325.11688	8.1
325.15118	1.7
327.13248	7.7
330.16193	2.7
337.11783	6.1
338.12473	1.6
339.13406	7.9
341.15250	2.7
342.15851	2.5
343.16867	1.9
344.17621	2.9
346.18973	1.7
351.13348	2.7
353.14822	3.2
356.13623	2.8
357.14471	4.4
358.15320	2.9
365.15088	2.0
369.14398	5.4
370.15329	2.2
372.17075	2.8
379.12573	2.0
381.14462	3.8
383.16135	2.2
386.18869	2.7
394.15009	1.8
395.16068	3.2
397.13953	2.3
399.15265	3.3
400.16507	5.2
402.18149	2.0
404.19574	4.3
405.14661	3.3
411.15533	8.1
412.16260	3.7
414.18124	3.3
423.15591	2.9
424.16367	2.6
425.17044	3.0
427.14929	1.7
429.16345	10.9
430.17468	6.1
430.46509	1.6
431.18015	2.7
432.19217	3.2
435.15369	4.4
439.14948	4.0
441.16660	7.3
442.17291	2.8
443.18155	2.0
444.19385	1.8
446.20648	2.6
450.20084	2.3
451.14880	2.7
453.16550	7.4
459.17538	3.0
463.14511	4.3
469.15982	4.0
471.17554	9.8
472.18863	2.9
474.20032	1.8
481.15997	14.9
499.17227	2.2
516.21051	1.6
523.17731	1.8
548.23523	1.4
558.21936	2.0
562.21960	2.9
565.24634	2.0
574.21692	3.1
576.23340	2.0
578.24744	3.6
580.22699	1.9
590.24561	2.1
592.22760	5.3
593.23718	17.4
594.24225	18.8
604.22046	1.9
606.24298	17.0
618.24084	4.9
620.22345	10.8
621.22827	7.5
622.23480	4.4
634.23877	32.2
635.24249	5.1
636.25287	4.1
652.24438	3.0
666.26410	23.8
667.26563	3.7
693.29810	1.6
721.28186	5.0
728.30475	1.7
729.30896	4.0
739.29608	12.4
754.27478	2.7
756.29675	2.8
757.30701	100.0
758.30536	4.8
760.26501	1.8
778.28339	13.9
789.33020	10.6
796.29132	87.7
797.29822	18.9
798.29657	5.2
828.31677	15.1
829.32452	6.9
896.06854	1.5
901.34247	4.9
919.18756	2.8
919.35986	55.8
920.35132	5.0
951.38928	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	941.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99779	1.7
69.03423	8.9
71.01350	0.7
71.04990	0.8
71.58463	1.1
78.92271	0.8
79.01865	1.4
81.03412	29.6
83.01334	1.2
85.02898	4.0
90.11104	0.7
92.99751	1.6
93.03403	0.9
95.01340	4.7
97.02890	3.9
97.82224	0.6
99.00790	1.8
99.04436	1.1
99.58823	0.6
102.09258	0.8
107.04924	1.3
109.02873	23.7
109.14105	0.8
111.00781	0.8
111.04431	1.5
116.98574	1.1
121.02888	3.6
122.03872	0.8
123.00764	2.4
123.04436	2.8
125.02349	1.8
127.03913	8.5
128.98601	0.7
131.04942	1.2
134.99648	0.9
135.04410	2.9
137.02333	3.6
139.03873	5.2
141.01819	2.0
145.02826	0.9
146.99677	1.0
147.04411	2.5
149.02284	3.8
151.00294	1.1
151.03888	1.4
153.01802	2.5
157.02884	0.9
163.03905	3.9
165.01833	11.2
166.99794	1.3
167.03419	4.1
169.01331	1.5
173.02467	0.8
175.03941	2.0
177.00583	1.0
177.01935	1.1
177.41016	0.8
182.99365	1.0
185.02628	0.9
187.03899	4.5
189.00580	1.0
189.02037	0.9
191.03362	3.9
193.01312	34.0
194.99315	0.9
195.02887	2.1
201.01990	4.5
203.03358	5.3
205.01353	1.5
208.50771	0.7
209.01068	0.7
211.02393	2.4
213.01816	3.1
215.03362	3.9
217.01279	2.2
219.03029	5.4
221.00795	54.4
223.13895	0.7
229.01373	3.4
229.04968	1.2
231.00677	1.3
231.02881	19.3
232.03323	0.8
237.00665	1.0
237.02744	0.9
239.01866	6.5
241.01332	3.0
245.00847	4.2
245.04897	2.9
247.02391	12.7
247.04881	1.1
247.06096	1.0
257.00778	7.3
257.04703	1.2
259.02362	29.6
261.02881	2.2
263.01596	1.6
267.01468	1.0
271.02606	2.2
273.00256	2.8
275.01855	17.1
276.02618	4.2
277.03412	100.0
278.03741	2.3
285.00299	4.8
287.01709	1.3
287.05289	0.7
289.03629	0.8
289.06839	1.5
303.01328	77.7
304.01657	1.6
317.02850	0.9
321.02420	4.2
327.01013	0.9
345.02408	1.0
373.06055	1.2
401.05188	0.8
421.49463	0.7
427.10422	1.3
429.03931	3.3
431.02417	0.8
443.11813	1.0
447.05438	2.2
449.03583	5.0
459.02026	3.4
477.02933	19.4
480.10657	1.3
495.03900	1.9
542.60712	0.8
543.10406	0.9
603.05750	1.9
621.06860	7.2
941.08667	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	941.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01851	0.4
69.03423	5.6
70.58936	0.8
71.01358	0.4
71.04987	0.4
79.01850	0.3
79.05492	0.3
80.02520	0.2
81.03409	34.1
83.01314	0.9
83.04974	0.2
85.02892	1.1
89.03900	0.3
91.05472	0.6
92.99755	0.3
93.03391	0.4
95.01321	3.6
95.04952	0.3
97.02870	1.7
99.00806	5.7
99.04439	0.7
101.02341	0.3
103.05464	0.9
105.03372	0.3
109.02868	17.4
111.00801	0.3
111.04427	0.5
113.02345	0.6
117.01836	1.8
117.03278	0.2
119.01276	0.2
119.04912	0.6
121.02893	0.7
123.00778	0.5
125.02362	0.6
127.03920	2.5
129.03372	0.3
131.04932	0.9
133.02827	0.2
135.04390	0.4
137.02316	2.9
139.03897	1.7
141.01807	1.5
141.07001	0.2
145.02827	0.8
146.03563	0.2
147.00781	0.2
147.04379	1.8
149.02306	0.9
153.01791	0.5
155.03416	0.2
157.02866	1.2
157.06398	0.2
159.04422	0.4
161.02359	0.6
163.03888	2.3
165.01820	6.3
167.03401	2.4
169.01279	0.6
173.02318	1.8
175.00290	0.4
175.03912	2.6
177.01823	1.5
177.04077	0.2
179.03374	0.4
181.01328	0.5
182.99310	0.3
183.01115	0.2
183.02820	0.6
183.04280	0.3
183.37276	0.2
185.02364	1.3
187.03880	5.6
187.05504	0.4
189.01807	2.4
190.02609	0.4
191.03380	4.5
191.05063	0.3
193.01312	10.3
194.02194	0.2
195.02837	1.5
197.00763	0.4
201.01796	4.3
201.03667	0.3
201.05476	0.3
202.02573	0.5
203.01459	0.3
203.03372	5.2
205.01285	0.7
207.02826	0.8
211.02353	1.1
213.01814	3.4
215.03360	4.6
215.05493	0.2
217.01297	4.4
218.02087	0.6
219.02878	7.4
221.00787	42.9
222.01140	0.5
223.02271	0.3
229.01318	4.4
229.03384	0.4
230.02019	0.6
231.02863	21.6
232.03224	0.3
235.02365	0.5
237.00253	0.3
239.01833	20.8
241.01276	4.2
245.00797	6.8
245.04568	0.3
246.01578	0.9
247.02359	9.2
248.03073	0.3
249.03889	0.3
257.00778	6.1
257.03586	0.4
257.04697	0.3
258.01404	0.3
259.02356	35.1
260.02704	0.6
261.04013	0.4
263.01770	1.4
269.04321	0.2
271.02164	0.4
273.00302	4.2
273.03613	0.4
274.01025	1.0
274.98730	0.3
275.01831	15.7
276.02597	4.5
277.03403	100.0
278.03720	0.8
281.03152	0.4
285.00317	4.3
285.03723	0.4
287.01846	0.9
287.04749	0.2
289.03391	0.8
291.01355	0.5
293.04068	0.2
295.02380	0.2
297.03897	0.3
299.01901	0.5
300.99976	0.4
301.03455	0.5
302.00577	0.6
303.01315	49.8
304.01700	0.7
305.02847	1.7
312.99796	0.3
313.03296	0.4
315.01288	0.6
317.02829	0.3
319.00937	0.3
321.02359	3.0
328.99387	0.9
329.02798	0.4
331.00769	1.6
341.02777	0.3
347.03940	0.3
349.01874	0.5
375.03299	0.3
383.03873	0.3
393.02185	0.4
401.05283	0.3
403.03146	0.4
411.03275	0.7
421.04395	0.3
429.04422	1.6
431.02493	0.3
447.05487	1.6
449.03488	11.1
459.01846	0.9
467.04440	0.6
477.02963	30.2
478.03165	0.4
495.04037	5.5
557.05499	0.3
585.04919	0.4
593.07483	0.3
603.05768	0.4
621.07214	4.3
639.07721	0.3
940.91589	0.3
941.08917	5.1
941.27313	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01857	1.2
68.99783	2.1
69.03421	8.3
70.66845	0.7
71.01337	0.5
71.04963	0.7
75.02342	0.3
79.01839	1.8
81.03410	28.8
83.01323	1.4
83.04941	0.4
84.19221	0.2
85.02892	2.1
89.03900	0.4
91.01807	0.5
91.05466	0.7
92.99760	1.9
93.03376	0.7
95.00751	0.3
95.01319	4.7
95.04938	0.5
97.02875	3.1
99.00787	1.2
99.04458	1.1
101.02351	0.9
103.05433	1.1
105.03356	0.4
107.01305	0.5
107.04920	0.2
108.02081	0.3
109.02869	22.2
111.00774	1.1
111.04414	1.3
113.02328	0.9
117.03397	0.3
119.01263	1.4
119.04911	0.7
121.02853	4.0
123.00060	0.3
123.00794	3.1
125.02350	1.7
127.03904	5.2
131.04921	0.6
133.02840	0.4
134.74730	0.2
135.00716	0.3
135.04350	0.3
137.02324	3.0
139.00237	0.8
139.03891	1.3
141.01817	1.9
145.02818	0.9
147.00749	0.6
147.04390	1.7
148.01529	0.4
149.01259	0.4
149.02335	3.6
151.00250	1.5
151.03969	0.3
153.01801	0.6
154.99706	0.3
155.03355	0.2
155.06053	0.2
157.02803	0.8
159.04385	0.6
161.02333	0.6
163.00212	0.5
163.03896	1.6
165.01823	12.2
166.99725	1.9
167.03389	5.1
169.01331	1.4
173.02357	2.1
175.00217	0.4
175.03911	2.6
176.01054	0.4
177.01837	1.5
178.99686	0.4
179.03339	0.5
181.01262	1.1
182.99258	1.3
183.02831	0.6
185.00826	0.5
185.02267	1.9
187.02301	0.3
187.03888	4.2
189.01819	1.7
189.05440	0.3
191.03380	3.3
193.01305	38.5
194.01715	0.5
194.99203	1.2
195.02788	1.4
197.00793	0.5
197.05827	0.2
198.43785	0.2
199.03902	0.5
201.01805	5.3
202.02554	0.4
202.99776	0.5
203.03380	5.7
205.01288	1.6
207.02908	0.5
209.00841	0.8
210.01596	0.4
211.02310	3.0
211.04146	0.2
213.01839	3.5
213.05307	0.3
215.03368	4.7
217.01337	2.6
219.00740	0.3
219.02866	6.0
221.00783	62.1
222.01176	0.4
222.98671	0.3
223.02280	0.4
227.03551	0.5
229.01303	5.4
229.04936	0.4
230.01991	0.7
231.02853	22.0
232.03288	0.3
233.04512	0.3
235.02350	0.4
239.01782	5.7
239.03949	0.5
241.01317	3.6
241.05090	0.3
243.02844	1.1
245.00807	3.5
245.04555	0.3
247.02362	13.0
248.02777	0.3
253.05113	0.4
255.02821	0.6
257.00751	8.4
258.01285	0.5
259.02353	34.6
260.02783	0.8
261.03860	0.4
263.01843	2.6
267.01105	1.2
269.00760	0.4
269.04480	0.3
271.02271	1.0
273.00351	2.4
273.03464	0.4
274.00998	0.3
275.01831	18.4
276.02533	4.1
277.03403	100.0
278.03833	1.2
283.02335	0.6
285.00290	5.3
285.03537	0.3
287.01727	1.5
289.03268	1.1
291.01276	1.8
295.02298	0.2
297.03836	0.3
299.01779	0.7
300.99866	0.5
301.03400	0.8
302.00610	0.9
303.01312	81.0
304.01654	1.0
305.02863	0.5
309.03821	0.4
311.01666	0.5
311.05487	0.4
312.99832	0.4
313.03387	0.6
314.89737	0.3
315.01501	0.5
317.02811	0.8
319.00809	0.5
319.04434	0.3
321.02368	3.3
327.01349	0.6
328.99249	0.3
329.02823	1.1
331.00732	0.7
337.03043	0.4
339.01239	0.4
339.04959	0.5
341.03043	0.4
345.02252	0.4
347.03928	1.2
355.04398	0.4
357.02386	0.3
359.03934	0.2
365.04803	1.1
369.02271	0.3
375.03821	0.3
383.04062	0.3
387.03540	0.3
401.05215	0.4
403.03046	1.2
411.03519	0.4
415.02762	0.5
419.05939	0.3
421.03882	0.7
429.04404	2.7
431.02408	2.0
433.04059	0.6
447.05579	2.7
449.03476	3.7
459.01791	4.6
467.04312	0.5
477.02951	17.0
478.03220	0.3
495.04205	1.3
507.39172	0.3
513.05182	0.8
542.37750	0.2
557.05328	0.5
575.06390	0.4
585.05017	0.7
603.05969	1.8
621.07214	7.0
639.08105	0.4
941.08801	7.3
942.08923	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	2.4
67.05500	51.7
69.03423	4.3
69.07064	14.2
69.34209	6.0
71.05000	4.1
71.35355	0.7
73.02903	2.7
77.03902	0.9
79.05486	37.1
80.72253	0.7
81.03412	88.6
81.07050	61.1
83.04967	6.0
83.08135	1.3
83.08614	21.0
84.17680	0.8
85.02901	7.7
85.06516	2.6
91.03955	6.0
91.04493	0.7
91.04890	0.9
91.05473	32.2
93.07038	41.8
95.04961	31.3
95.08601	44.1
97.02876	6.5
97.06515	6.3
97.10167	8.1
99.08089	1.5
103.05440	0.8
105.07021	26.7
107.04961	8.1
107.08586	26.5
109.02917	0.7
109.06499	4.4
109.10144	20.6
111.04453	1.2
111.08077	7.7
115.03903	0.9
115.05430	1.6
117.07008	7.4
119.04977	1.2
119.08575	24.3
121.06501	5.5
121.10136	25.2
123.04462	3.2
123.08044	4.3
123.11682	7.4
124.17927	0.7
125.09645	5.8
127.03899	2.2
129.06984	11.4
130.07753	0.9
131.08563	22.7
133.06514	4.6
133.10126	15.0
135.08029	2.0
135.11667	15.3
137.05972	1.2
137.09610	3.3
137.13251	1.8
139.11116	1.0
142.07756	2.3
143.08545	3.0
145.04935	3.1
145.10112	11.8
147.04410	1.1
147.08075	3.3
147.11690	15.3
149.09656	5.8
149.13266	7.4
151.11169	0.9
151.14903	0.8
153.09096	1.3
155.08580	1.3
157.10117	11.7
159.11696	8.5
161.09653	0.8
161.13251	6.0
163.06007	4.5
163.11179	3.3
163.14774	3.6
165.12764	3.3
167.08521	1.0
169.10161	1.1
171.11679	3.0
173.09590	1.4
173.13254	7.4
175.11192	9.3
175.14806	2.4
177.12721	1.6
177.16342	1.5
183.11684	1.9
185.13268	2.3
187.14757	3.8
189.09215	0.6
189.11211	3.5
189.12717	1.6
193.12238	22.7
197.13235	1.6
199.14833	1.1
201.16376	1.7
203.14374	0.9
205.12289	1.0
207.13776	1.4
209.13351	1.0
211.13286	2.3
213.16505	1.0
227.12787	9.6
235.13301	2.9
243.21022	5.7
249.14903	2.1
259.13266	2.8
259.20526	1.6
261.22116	16.8
265.14301	0.8
267.15897	100.0
268.16098	0.8
273.14987	1.2
273.18463	1.0
277.14447	0.9
279.23141	1.8
285.22098	2.0
299.23657	1.2
301.14349	2.6
301.25195	5.8
309.16943	5.0
317.24609	3.7
333.16946	1.3
333.24081	1.2
335.25781	75.8
336.25903	0.9
337.27316	1.2
359.25482	1.0
389.22931	0.8
407.24463	1.0
415.28552	0.7
417.26447	1.4
417.31653	0.7
421.25644	3.4
435.27234	2.7
435.32684	5.5
449.28812	1.9
453.33704	7.2
471.34830	4.9
475.30527	1.3
509.36429	2.5
527.37311	79.2
528.37402	1.0
543.34882	0.8
545.38342	93.2
546.38617	1.6
559.39673	2.7
569.38251	8.4
577.40466	2.6
587.39099	1.7
611.39136	1.6
623.39337	1.4
635.39307	2.7
653.40314	3.0
671.41724	3.3
925.59564	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	3.5
67.05501	56.2
69.03399	7.0
69.07065	27.0
71.04987	5.6
71.46796	2.3
71.60367	2.8
73.02917	3.4
74.14767	1.8
79.05053	3.8
79.05486	49.4
81.03411	60.4
81.06578	3.2
81.07050	64.0
83.04986	18.3
83.08607	27.5
83.65514	2.3
84.72218	2.1
85.02901	29.7
85.06524	3.6
91.03935	7.0
91.05474	51.1
93.07036	56.0
95.04965	27.0
95.08599	30.2
97.02870	8.6
97.06530	15.2
97.10150	5.9
97.19514	1.9
99.08060	4.0
105.06390	3.1
105.07025	42.0
107.04942	14.0
107.08579	33.7
109.02828	2.8
109.06499	8.1
109.10136	12.1
111.04439	3.1
111.08060	11.3
113.06039	4.2
115.05450	3.4
117.07034	12.1
119.08572	30.7
121.06472	5.9
121.10120	18.5
123.04420	2.2
123.08070	3.2
123.11656	2.8
125.09616	5.3
127.03924	6.7
129.06990	11.6
131.08565	20.7
133.06471	2.9
133.10118	28.2
135.08043	4.7
135.11684	12.0
137.09619	4.0
142.07794	2.6
143.08537	5.1
145.06570	2.3
145.10127	13.4
147.04384	3.3
147.08070	4.1
147.11682	24.8
149.09628	14.5
149.13182	11.1
151.11147	2.4
155.08440	2.3
157.10098	16.8
159.11696	10.7
161.13242	4.4
163.05975	2.8
163.11128	8.3
165.12723	3.5
171.11659	3.5
173.04408	4.8
173.13231	4.9
175.11200	16.1
177.12639	3.3
193.12250	28.9
195.13741	3.3
197.46324	2.0
211.13266	44.1
227.12766	3.1
239.17979	2.7
255.15918	15.0
257.19037	7.7
261.71277	2.3
267.15900	26.0
269.17407	27.3
275.20056	27.7
279.72064	2.1
285.16901	50.8
293.20883	3.4
295.36777	2.3
331.22769	4.0
349.23752	30.5
367.24805	3.2
439.26883	3.3
443.27994	5.6
447.27148	9.7
461.28964	41.2
463.30685	2.3
465.28418	21.6
479.29993	100.0
480.30591	3.0
501.31982	2.5
519.32385	3.4
541.35107	21.5
559.36279	49.3
577.37494	11.0
623.33978	7.0
654.19519	2.4
721.41608	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	920.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.1
67.05501	56.0
69.03410	1.9
69.07061	11.0
71.04989	17.9
71.62251	1.2
73.02907	2.1
75.61304	0.7
79.05486	29.1
81.03389	1.5
81.07050	81.9
83.04967	4.1
83.08607	7.9
85.02896	9.1
85.06531	6.0
87.04456	0.7
89.56282	0.6
91.03957	7.1
91.05472	26.2
93.07034	39.1
95.04958	5.1
95.08598	25.4
97.02892	5.9
97.06521	4.5
97.10155	1.5
99.04440	1.0
99.08106	1.5
101.87626	0.7
105.07021	15.0
107.08586	20.4
109.06504	1.8
109.10149	13.4
111.08068	3.0
115.03893	1.0
117.07000	4.4
119.08569	9.2
121.10133	16.2
123.08067	0.9
123.11703	14.3
127.03912	2.5
127.07528	0.9
129.07014	0.8
131.08559	7.7
133.10118	18.0
135.11678	10.8
137.13240	0.9
139.11182	0.7
143.08536	1.2
145.04953	2.5
145.10135	5.2
147.11690	5.2
149.09570	0.7
149.13245	8.1
151.11168	7.1
153.12759	1.6
157.10130	1.2
159.11670	7.1
161.13255	3.4
163.06021	2.4
163.14828	1.2
171.11737	1.8
173.13301	3.1
175.14883	0.9
177.12794	1.6
179.14247	1.1
183.13820	2.2
185.13359	0.8
187.13313	5.0
187.14847	1.6
195.13824	2.0
199.14835	0.7
201.14809	0.8
220.77191	0.7
223.15071	0.7
227.16330	3.2
232.25929	0.7
243.15916	1.2
243.21078	1.0
253.17966	0.9
253.38216	0.6
257.17606	2.1
259.20584	1.2
261.22131	2.4
269.17487	5.9
301.20078	20.9
334.26035	0.7
335.25769	17.2
411.32419	1.6
437.34088	2.1
445.24570	0.9
485.36191	5.5
503.37277	77.2
504.37708	1.8
511.37820	2.7
517.39063	2.4
525.55811	0.7
529.38837	32.5
530.39191	0.8
531.40607	0.7
543.40680	1.1
547.39899	2.1
561.41473	100.0
562.41608	3.2
691.94513	0.7
705.46008	1.5
893.10223	0.8
900.12079	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	1.1
65.36900	0.6
67.05500	41.4
67.20238	0.5
69.03417	1.8
69.07059	8.7
69.51057	5.0
71.04988	12.6
73.02901	1.4
73.06580	0.6
79.05485	22.8
81.03407	1.2
81.07050	68.3
82.07373	0.7
83.04974	2.3
83.08617	5.8
85.02901	7.8
85.03366	0.8
85.06538	5.9
91.03940	4.5
91.05472	20.4
93.07036	27.1
95.04944	2.6
95.08595	20.1
95.56933	0.6
97.02881	4.4
97.06544	2.9
97.10168	1.4
97.65096	0.6
99.04443	0.6
99.08084	1.1
105.04479	0.7
105.07024	10.2
107.08578	13.2
109.06502	2.0
109.10142	11.5
111.08074	1.3
117.07011	4.6
119.08566	6.8
121.10129	13.0
123.11691	10.3
123.12550	0.7
127.03921	2.1
129.07022	0.9
131.08559	6.6
133.10114	13.1
135.11690	8.2
137.09598	1.0
138.01581	0.6
145.04955	1.9
145.10101	3.7
147.11636	3.4
149.13239	4.6
151.11169	4.4
155.29904	0.5
157.10127	0.9
159.11671	4.4
160.31908	0.6
161.13258	2.6
163.06021	2.0
163.14845	1.2
169.12248	0.9
173.13290	1.7
175.14784	0.9
177.12785	0.9
183.13783	1.6
187.13316	3.4
187.14827	0.9
195.13783	1.1
197.13161	0.7
227.16469	1.6
243.15948	1.1
253.18031	0.8
257.17548	1.0
261.22208	2.1
269.17432	4.6
297.84528	0.6
301.20105	9.0
335.25766	18.1
411.32822	1.3
437.34348	1.0
485.36246	2.4
503.37274	63.0
504.37570	2.2
517.38562	2.7
529.38843	16.9
547.41095	0.9
561.41461	100.0
562.41620	3.3
673.42926	1.0
691.44086	1.0
705.45844	1.9
943.66107	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	2.1
66.04733	0.6
66.80806	0.4
67.05498	49.7
69.03423	5.0
69.07060	13.1
69.39182	1.5
69.39605	3.4
70.61450	0.5
71.01350	0.9
71.04987	4.0
71.08611	0.6
73.02909	6.6
79.05485	40.6
80.06251	1.0
81.03411	14.4
81.07050	47.3
82.04192	3.6
83.04974	10.4
83.08613	12.3
84.02137	0.6
84.05743	0.8
85.02895	14.6
85.06535	3.0
87.04453	0.9
91.03949	8.2
91.05473	27.7
92.95893	0.4
93.07034	39.6
94.04166	0.5
94.07827	0.7
95.04959	14.3
95.08596	31.3
96.04480	0.8
97.02886	10.1
97.06518	5.6
97.10159	12.3
98.07306	5.0
98.21555	1.1
98.39531	0.5
99.04422	1.5
99.08070	1.9
101.06016	1.2
103.05434	0.8
105.07020	18.0
107.04959	4.2
107.08585	25.6
109.02866	0.8
109.06512	4.9
109.10144	18.2
111.04420	1.4
111.08070	4.9
113.06014	0.8
115.03954	0.9
115.05456	1.0
116.04709	13.1
117.05511	0.9
117.06998	7.9
119.08574	16.9
120.09366	0.8
121.06492	1.9
121.10134	17.5
123.08067	4.4
123.11685	4.9
123.92381	0.6
125.09625	12.2
125.10532	0.7
126.10460	0.6
127.03876	3.1
127.07538	0.8
127.11198	0.7
128.06189	0.7
129.05469	33.2
129.06906	5.0
130.07716	0.6
131.08560	12.7
133.06418	0.7
133.10114	13.4
135.08043	2.1
135.11679	13.4
136.08766	1.0
136.12440	0.5
137.09621	2.6
137.13225	1.6
139.07529	0.6
139.11195	1.2
142.07735	0.9
143.07013	8.8
143.08525	1.7
143.10637	1.3
145.04947	3.5
145.06268	0.6
145.10110	9.4
146.10655	0.5
147.08002	1.4
147.11678	10.4
149.09628	2.6
149.13239	5.7
151.11172	1.2
151.14847	0.6
153.09097	1.4
153.12709	1.0
154.64732	0.5
155.08542	0.7
157.08578	15.4
157.10092	6.2
159.11664	5.6
161.13225	4.6
163.05995	4.6
163.11154	4.6
163.14804	2.9
164.12022	0.7
165.12755	1.8
166.29614	0.5
169.10042	0.7
171.06638	0.5
171.10130	4.2
171.11668	1.9
173.09569	0.9
173.11699	1.6
173.13242	5.7
175.11166	4.5
175.14761	2.5
177.12773	1.4
180.08745	0.5
181.12173	1.1
183.11668	0.8
185.11694	2.0
185.13266	1.4
187.14812	1.8
189.11197	7.7
189.12735	0.9
191.10686	1.0
192.11430	0.6
193.12241	8.3
194.10992	0.5
197.13271	0.6
199.13260	4.7
199.14882	1.2
200.14076	2.3
201.14751	0.6
201.16412	1.3
203.14311	0.9
205.15854	0.5
209.11673	1.4
210.12425	0.8
211.10107	0.5
211.13266	6.6
213.14796	0.9
217.14281	1.0
223.14795	0.6
227.12737	11.3
228.13454	1.0
229.14278	2.7
233.22763	0.6
241.19606	1.2
243.15811	0.6
243.21100	3.6
247.16736	0.6
251.20044	0.8
255.15874	1.6
259.20547	2.7
261.18503	0.6
261.19150	0.8
261.22122	9.9
267.15860	6.5
268.16351	0.8
269.17581	0.7
277.21652	4.5
283.15448	3.1
284.16147	0.9
285.16919	3.2
297.22385	0.6
301.16428	100.0
302.16766	1.5
315.23187	2.0
317.24673	1.0
327.22928	0.8
333.24277	1.5
335.25766	58.8
336.26105	1.1
351.25369	1.7
389.26636	0.9
439.26489	0.6
475.30612	0.6
487.34076	1.1
489.35397	1.1
527.37256	6.4
543.37164	2.4
544.37543	1.3
545.38293	2.9
561.37781	51.4
562.38251	1.6
579.38873	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.52
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	2.4
67.05500	58.1
69.03431	6.1
69.07064	15.2
69.07441	0.5
70.04210	0.5
71.01355	1.1
71.04993	3.7
71.08631	0.7
73.02913	6.4
77.03941	0.5
78.04721	0.4
79.05488	42.1
80.06264	1.5
81.03057	0.4
81.03415	14.6
81.07052	54.6
82.04183	3.4
83.01328	0.6
83.04980	9.1
83.08612	12.6
84.02093	0.7
84.05755	0.9
85.02899	17.6
85.06522	2.4
86.09749	0.4
87.04468	1.2
91.03952	8.5
91.05473	31.9
92.06266	0.7
93.07037	45.0
94.07836	1.1
95.04959	14.3
95.08600	39.4
96.05749	0.6
96.08908	0.5
97.02881	10.8
97.06530	6.3
97.10164	11.3
98.07312	5.0
99.04462	1.2
99.08083	1.4
101.02365	0.4
101.06016	1.1
103.05517	0.9
105.04489	0.7
105.07024	22.2
106.07832	0.7
107.04952	3.6
107.08585	26.9
108.09451	0.6
109.02882	1.1
109.06516	5.4
109.10149	20.8
111.04445	1.4
111.08063	5.0
113.05997	0.9
115.03927	0.9
115.05439	1.0
116.04704	10.8
117.05502	0.8
117.06996	9.0
119.08572	19.8
120.09361	1.1
121.06521	2.0
121.10136	19.9
122.10895	0.4
123.04482	0.5
123.08065	4.8
123.11707	5.3
124.56344	0.4
125.09618	13.0
126.10444	0.4
127.03886	3.0
127.11230	1.1
128.06160	0.8
129.05473	25.9
129.06918	5.1
130.07785	0.4
131.08556	16.9
132.09283	0.5
133.06528	1.0
133.10123	15.4
134.10915	0.8
135.08086	2.5
135.11679	14.5
135.12706	0.9
136.08836	1.0
136.12444	0.6
137.09657	2.0
137.13251	1.1
139.11172	0.8
141.10646	0.4
142.07791	1.0
143.07040	5.2
143.08540	1.9
143.10718	1.1
145.04970	3.4
145.10110	10.1
146.10838	0.5
147.08012	1.9
147.11670	12.8
147.54893	0.4
149.09628	2.8
149.13255	6.6
151.11148	1.2
151.14882	0.5
153.09143	1.3
153.12747	0.9
155.08577	1.2
157.08611	11.5
157.10127	5.2
159.11679	5.7
161.09659	0.8
161.13242	4.5
163.06049	2.8
163.07310	0.5
163.11188	3.4
163.14812	2.7
164.11923	0.7
165.12743	2.3
167.10638	0.5
169.10152	0.9
171.06528	1.7
171.10175	3.5
171.11728	2.2
173.09647	0.9
173.11768	1.4
173.13271	6.0
175.11168	4.1
175.14795	2.3
177.12788	1.0
177.16379	1.1
181.12186	0.8
183.11703	0.8
185.08154	0.5
185.11655	1.4
185.13266	1.7
187.13399	0.5
187.14792	2.6
189.11194	6.2
189.12680	0.7
189.16397	1.1
191.10648	0.6
191.14320	0.6
193.12241	8.0
193.13860	0.7
195.11713	0.7
197.13258	0.7
199.13306	2.5
199.14873	1.1
200.14096	1.8
201.14734	1.0
201.16425	1.2
203.14267	0.7
203.17929	0.5
204.08752	0.5
205.16014	0.8
209.11725	1.9
210.12596	0.8
211.13222	6.5
213.11156	0.6
213.16533	0.8
215.17955	0.5
217.14290	1.0
219.13646	0.6
227.12730	8.2
227.16281	0.6
229.14328	3.4
231.17395	0.5
241.19531	0.8
243.15819	0.6
243.20999	2.5
249.22229	0.6
255.15955	1.9
259.20477	2.3
261.22159	11.6
267.15900	6.5
269.17374	0.5
271.20163	0.5
273.22318	0.5
275.20169	0.8
277.21616	4.9
281.17444	0.6
283.15387	3.5
284.16071	0.6
285.16977	3.5
297.22299	0.7
299.14929	0.5
299.23727	0.8
301.16434	57.2
302.16690	0.9
315.23035	2.0
317.24786	1.8
325.23883	0.5
327.23218	0.8
333.24246	1.4
335.25781	67.7
336.26102	1.6
351.25320	2.2
389.26797	1.1
435.32437	0.6
439.27054	0.5
451.31909	1.0
467.30341	0.7
469.33173	0.5
473.32733	0.8
487.34253	0.9
489.35495	1.4
509.36697	0.5
515.36926	0.6
525.35651	0.7
527.37323	6.8
543.36670	4.8
544.37451	1.2
545.38672	3.5
561.37817	100.0
562.38055	2.5
579.38739	1.5
674.95844	0.5
848.27594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03908	1.3
67.05174	1.7
67.05501	25.8
69.03423	2.5
69.07066	18.7
69.51271	1.0
71.04985	2.2
71.45191	1.1
71.46402	1.1
71.59731	2.0
73.02906	1.4
79.05051	2.2
79.05484	23.1
81.02979	2.2
81.03413	29.4
81.07051	35.2
83.04978	9.1
83.08619	14.1
85.02895	13.8
85.06563	1.6
90.57290	1.0
91.03973	1.8
91.05473	38.7
93.07037	20.4
95.01318	5.9
95.04973	16.4
95.08598	17.9
95.90663	1.3
97.02873	2.9
97.06525	19.5
97.10152	2.9
103.05479	1.1
105.07026	52.3
107.04952	9.9
107.08584	10.9
109.06526	3.3
109.10159	5.3
111.04424	2.0
111.08082	4.9
116.06174	1.7
117.06258	1.5
117.07001	9.2
119.08575	27.1
121.06486	1.7
121.10143	7.9
123.04406	3.3
123.08051	4.3
125.09611	1.9
129.06995	7.6
131.08551	17.0
133.06456	2.9
133.10117	32.1
135.11673	5.0
137.09576	1.9
141.06926	1.3
143.08514	1.9
145.06458	1.6
145.10118	12.3
146.05788	1.2
147.08037	2.6
147.11670	16.7
149.09648	5.9
149.13249	2.1
151.11194	1.7
155.08560	2.1
157.10138	9.1
159.08151	1.8
159.11696	6.7
161.13220	3.5
163.11136	3.1
165.12714	2.2
169.10103	1.8
171.11729	2.6
173.13252	1.9
175.11110	5.8
177.12767	1.7
179.14340	7.5
183.11757	1.5
187.11140	3.1
187.14755	1.3
193.12242	19.4
195.13838	1.5
196.81197	1.2
211.13298	16.4
240.19351	1.3
247.20598	2.0
257.18991	3.6
267.15918	25.1
275.20044	43.6
279.15973	1.7
285.16949	50.6
286.17365	1.2
293.20975	1.9
348.23212	1.2
349.23712	25.2
372.06430	1.4
377.16895	1.2
417.68121	1.2
466.23184	1.1
501.72119	1.4
541.35248	73.8
542.35590	3.6
559.36279	100.0
560.36499	5.5
577.37201	1.6
703.40308	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	915.109
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	1.0
67.01857	0.7
67.05491	0.8
68.99783	0.9
69.03421	10.0
69.20232	0.2
69.64870	1.3
71.01332	0.9
71.04968	0.8
73.02895	0.8
74.09689	0.2
79.01827	0.4
79.05468	0.4
81.03406	42.6
82.03748	0.3
83.01325	2.0
83.04961	0.8
85.02897	3.6
89.02399	0.4
89.03912	0.3
91.05456	0.6
93.03394	2.6
95.01315	7.1
95.04946	1.3
97.02876	7.0
97.03500	0.4
99.00809	1.9
99.04443	2.3
101.02357	1.2
103.03933	0.5
103.05455	0.8
105.03375	0.4
107.01300	0.6
107.04901	0.2
109.02863	22.8
111.00780	0.8
111.04421	2.9
113.02350	4.1
117.01835	0.6
117.03381	0.3
119.01263	0.3
119.04945	0.7
121.02833	2.2
121.06479	0.2
123.00768	0.6
123.04434	0.9
125.02338	5.6
127.03901	6.7
129.03374	0.4
131.03406	0.3
131.04893	1.0
133.02846	0.5
135.04367	0.5
137.02313	3.7
139.00264	0.4
139.03876	6.8
141.01807	2.5
143.03429	1.2
145.02843	0.8
147.04399	1.8
149.02330	3.5
151.00235	0.2
151.03862	0.7
153.01802	2.8
155.03371	0.8
155.04715	0.2
157.02861	1.1
157.04950	0.6
157.06271	0.2
159.04407	0.8
161.02321	0.4
161.05980	0.4
163.03885	2.1
165.01817	8.1
167.03378	15.0
169.01395	0.2
171.02869	0.9
171.04384	0.6
173.02350	1.8
173.05946	0.3
174.03105	0.3
175.00278	0.5
175.03891	3.7
177.01808	4.5
177.05478	0.6
179.03352	1.1
181.01364	0.7
183.00970	0.2
183.02873	1.2
183.04282	0.3
184.17679	0.2
185.02379	1.0
185.04431	10.5
185.05775	0.4
187.03894	4.1
189.01868	0.5
189.05458	0.5
191.03375	4.0
193.01302	13.4
193.04929	0.5
195.02843	3.1
195.04385	0.3
197.00746	0.3
197.06093	0.2
199.03931	0.8
201.01822	4.6
201.05502	0.4
202.02580	0.4
203.03369	5.1
203.05367	0.5
205.01318	0.7
205.04852	1.0
207.02818	1.9
211.02287	1.4
213.01804	2.9
213.03914	10.3
215.03362	5.2
217.01324	1.8
217.04950	0.7
219.02861	5.8
219.04843	0.3
221.00777	66.8
222.01176	0.8
223.02231	1.1
227.03355	0.8
229.01314	5.1
229.04851	1.2
229.40797	0.2
230.01990	0.8
231.02866	19.6
231.04947	1.7
232.03479	0.5
233.00793	0.3
233.04419	1.0
235.02313	1.7
237.00160	0.3
239.01817	29.0
240.02205	0.4
241.01253	2.5
241.04959	0.7
243.02829	1.7
245.00760	1.0
245.04445	1.5
247.02353	10.5
249.03917	0.9
255.02908	0.8
257.00772	9.2
257.04272	0.5
258.01501	0.6
259.02344	29.7
260.02829	0.5
261.03922	2.3
262.04398	0.2
263.01822	1.3
267.01199	0.3
269.01257	0.3
269.04422	0.6
271.02322	1.7
273.00482	1.0
273.03769	1.3
274.00946	0.2
275.01825	15.5
276.02603	6.6
277.03394	76.0
278.03812	1.0
281.03024	0.9
283.02350	0.4
285.00320	7.0
285.03909	0.9
286.00912	0.3
287.01819	2.0
287.05453	0.5
289.03345	1.6
291.01334	0.8
293.03192	0.4
293.06537	0.8
297.03888	0.7
299.01974	1.0
299.04907	0.3
301.00043	0.4
301.03415	0.9
302.00613	1.1
303.01300	100.0
304.01648	1.6
305.03009	1.0
309.02271	0.5
311.07532	0.7
313.03275	1.3
315.01379	0.8
317.02789	0.6
319.00793	0.9
319.04279	0.4
321.02380	4.9
321.06110	0.4
325.03470	0.3
327.01306	0.3
327.04898	0.2
328.99289	0.4
329.02878	0.6
329.08636	0.3
331.00815	0.6
341.02841	0.8
343.04352	0.5
345.02435	0.9
347.03918	1.8
349.02023	0.3
353.02747	0.2
355.04242	0.2
357.08096	0.3
359.04056	0.4
363.03427	0.6
365.04962	1.6
367.04285	0.4
369.02533	0.4
371.04004	0.3
373.01822	0.5
377.04874	0.5
387.03586	0.4
391.02963	0.9
397.01862	0.3
405.04422	0.8
409.04089	1.0
411.03622	0.3
415.02957	1.1
419.05609	0.3
423.05554	0.6
429.04388	1.3
433.03989	2.4
447.05283	0.9
451.05017	10.2
452.05081	0.2
469.06067	6.6
480.69388	0.2
531.07367	0.3
535.06592	0.4
539.06732	1.2
541.05920	0.4
549.08405	0.4
559.07056	0.7
567.09027	0.5
577.07935	1.0
595.09198	9.3
596.09503	0.2
613.10217	0.8
897.10040	0.9
915.10809	24.6
916.10040	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5676
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	11.8
69.03413	1.6
69.07059	5.9
71.04986	1.9
71.08630	18.1
71.62188	1.9
73.02898	1.0
79.05489	6.8
81.03413	52.3
81.07056	13.7
83.04982	2.5
83.08610	14.8
85.02882	5.9
85.10172	12.2
91.03951	3.9
91.05476	10.5
93.07047	5.4
95.04951	13.7
95.08598	13.7
97.02890	3.5
97.10172	4.1
105.07009	6.4
107.04913	2.4
107.08579	2.3
109.06500	1.9
109.10157	6.9
111.08088	4.3
112.68119	1.1
117.06992	1.4
119.08568	7.5
119.31688	1.0
121.10135	3.1
123.04434	1.9
123.11711	4.1
127.03918	1.4
129.06990	5.0
131.08525	5.5
133.06540	1.7
133.10120	2.6
135.11659	1.1
136.83531	1.0
142.07753	2.0
145.10065	1.5
147.08031	2.1
147.11668	4.0
149.09634	2.0
157.10094	6.3
159.20618	1.2
163.06053	3.5
163.11223	2.2
175.11159	8.3
193.12244	20.7
193.56897	1.0
211.13306	1.5
235.13470	1.6
239.23657	2.4
249.14977	2.0
257.24716	1.8
259.13318	1.4
267.15900	100.0
268.16284	1.4
275.25397	1.1
301.14215	2.1
309.16968	2.2
313.27344	90.8
314.27667	1.7
329.62735	1.0
337.16782	1.1
357.07324	1.1
505.38855	86.6
506.39069	2.3
523.39911	4.0
547.39917	5.0
555.40283	2.8
565.40698	1.6
601.41058	2.9
613.40802	2.1
631.42120	1.8
643.21448	1.3
649.43317	2.4
914.49854	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	914.5678
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	8.8
67.87556	0.4
69.03381	1.2
69.07068	4.7
71.04965	1.1
71.08624	15.5
71.60086	0.4
71.60558	0.7
73.02902	1.1
77.03966	0.4
79.05488	4.8
80.77766	0.4
81.03411	45.0
81.07048	11.5
83.04975	2.2
83.08611	16.4
85.02905	4.1
85.06503	0.7
85.09723	0.8
85.10172	9.1
89.05985	1.1
91.03942	3.3
91.05475	5.9
93.07039	4.1
95.04369	0.7
95.04958	12.0
95.08596	13.0
97.02883	3.6
97.06498	0.9
97.10165	3.9
99.11726	0.5
103.07570	0.8
104.32182	0.4
105.07016	5.7
107.04942	3.2
107.08559	2.1
109.06481	1.2
109.10144	6.1
109.18325	0.5
111.04408	0.9
111.08071	4.2
114.97446	0.5
115.05366	0.8
117.06959	0.9
119.04827	0.5
119.07822	0.4
119.08578	5.5
121.06431	1.4
121.10112	3.1
123.04313	0.7
123.08004	1.2
123.11687	2.4
127.03868	1.2
128.06197	0.4
129.06985	5.2
131.08560	4.7
133.06433	1.7
133.10118	2.8
135.11659	0.8
137.05928	0.5
137.13249	1.1
142.07738	1.3
143.42097	0.4
145.04916	2.0
145.10071	1.3
147.04483	0.5
147.07980	1.9
147.11668	4.0
149.09633	3.5
157.10103	4.3
161.05977	0.5
163.05995	3.8
163.11139	1.1
165.12798	0.8
165.16434	0.5
173.09563	0.4
175.11183	5.7
193.12231	18.9
206.89130	0.5
211.13220	1.3
235.13237	2.1
239.23680	1.7
249.14841	1.9
257.24796	1.1
259.13312	1.3
267.15891	100.0
268.16232	2.1
273.14954	0.6
301.14282	1.8
309.17081	3.4
313.27341	96.6
314.27634	2.1
333.16837	0.8
375.18271	0.6
505.38852	85.8
506.38925	2.7
517.03369	0.6
523.40033	4.0
547.39996	5.6
565.40723	0.9
589.40320	0.8
601.40851	2.3
613.40833	2.1
631.42010	2.9
649.43140	1.6
738.18561	0.6
914.48975	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
64.54089	0.1
65.03945	0.2
67.05499	3.6
69.03425	3.8
69.03809	0.2
69.07072	0.9
70.18279	0.5
71.01353	0.5
71.04976	0.7
73.02910	4.4
75.04463	0.2
79.05491	3.0
81.03416	2.5
81.07050	3.6
83.04966	0.5
83.08624	0.5
85.02898	8.5
85.06532	0.2
87.04471	0.4
91.03947	4.9
91.05472	2.1
93.07038	3.3
95.04966	1.2
95.08597	2.5
95.57475	0.1
97.02885	6.9
97.06516	0.2
97.10204	0.2
99.04452	1.1
103.03942	0.6
105.07019	1.6
107.08586	1.2
109.02879	0.9
109.06546	0.4
109.10140	1.1
111.08102	0.4
115.03941	0.6
117.05513	0.2
117.07014	0.5
119.08572	1.4
121.10140	1.4
123.11691	0.3
127.03913	2.3
127.90145	0.1
129.06966	0.3
131.08559	0.9
133.10123	0.9
135.11696	0.9
138.21664	0.1
145.04984	0.5
145.10143	0.6
147.11711	0.6
149.09627	0.3
149.13263	0.3
155.96881	0.1
157.10167	0.5
159.11769	0.4
161.13266	0.3
163.14890	0.2
173.13297	0.2
175.11157	0.3
185.04172	0.8
193.12308	0.5
203.05197	1.0
208.19688	0.2
211.13255	0.3
214.16447	0.2
243.08386	2.2
243.10689	0.2
251.10094	0.1
251.12547	1.0
259.08075	0.2
261.22238	0.2
269.12518	0.5
271.08444	0.2
285.10080	0.3
285.16995	0.2
289.09213	0.4
307.15372	0.3
335.25775	1.0
347.09479	2.8
347.13644	0.3
363.08978	0.6
365.10565	1.2
405.13635	6.1
421.13184	0.2
465.23071	0.2
465.72705	0.2
469.20404	5.2
507.34119	0.2
507.80817	0.2
519.29242	6.7
585.37360	0.2
631.15625	0.2
631.25708	3.7
681.34491	7.5
745.77057	0.2
747.42822	1.7
909.48077	100.0
910.48285	2.6
943.64575	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.3
67.05499	2.5
67.05833	0.3
69.03420	3.2
69.07062	0.7
69.40891	1.9
71.01348	0.6
71.04988	0.4
73.02909	4.0
75.04405	0.2
79.05490	2.1
81.03413	3.2
81.07054	2.6
83.04963	0.5
83.08614	0.8
85.02896	6.7
87.04482	0.3
91.03945	3.7
91.05476	2.3
93.07038	2.3
95.04964	1.5
95.08598	1.7
97.02879	6.2
97.06523	0.4
99.04432	1.0
103.03943	0.4
105.07011	1.5
107.04982	0.3
107.08573	1.1
109.02863	0.9
109.06506	0.5
109.10168	0.6
111.04432	0.2
111.08138	0.3
115.03941	0.7
117.07049	0.2
119.08562	1.1
121.10128	0.9
123.08087	0.3
127.03885	2.1
127.04661	0.2
129.05492	0.2
129.07007	0.6
131.08601	0.8
133.10133	0.8
135.11719	0.4
135.61003	0.2
145.04988	0.6
145.10098	0.4
147.08069	0.2
147.11713	0.7
149.09665	0.2
157.10094	0.9
159.11726	0.2
173.13408	0.2
175.11230	0.5
185.04243	0.7
193.12225	1.3
203.05254	1.0
211.13347	0.5
243.08376	2.0
251.12576	0.6
259.07837	0.2
264.54221	0.2
269.12369	0.5
274.90118	0.2
280.59094	0.2
285.17026	0.4
289.09357	0.3
307.15030	0.5
326.11499	0.2
335.25803	0.6
347.09543	2.5
363.09048	0.4
365.10532	1.1
405.13623	6.0
465.72388	0.2
469.20428	8.4
511.31757	0.2
519.29156	4.3
631.25635	7.0
681.34442	3.8
747.42871	1.9
891.10889	0.2
909.48077	100.0
910.48279	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	907.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	2.8
69.03416	3.2
69.07057	0.6
71.01345	0.7
71.04989	0.4
71.60197	0.6
72.78409	0.4
73.02908	2.8
79.05507	1.9
81.03423	1.2
81.07043	2.7
83.04975	0.6
83.08610	0.7
84.41426	0.4
85.02898	5.6
87.04462	0.7
91.03943	3.7
91.05487	1.5
93.07027	3.0
93.19309	0.4
95.04954	0.4
95.08574	2.0
97.02875	4.9
99.04446	1.0
101.02395	1.6
105.07053	1.5
107.08605	1.4
109.02879	0.5
109.06505	0.6
109.10136	0.9
115.03963	0.4
117.07005	0.4
119.08598	1.4
121.10113	0.9
123.08040	0.5
127.03920	1.7
131.08647	0.7
133.10162	0.5
145.10155	0.8
148.80484	0.4
159.11665	0.4
163.11235	1.2
185.04346	0.6
205.10272	0.4
209.11780	0.4
228.92816	0.4
236.22670	0.4
243.08411	1.1
249.10928	0.4
278.21808	0.4
283.15512	0.6
335.25900	0.8
347.09445	1.5
365.10657	0.8
405.13538	4.3
467.18835	6.8
468.19760	0.4
489.36157	0.5
490.36008	0.5
519.29333	3.1
526.41351	0.4
548.40466	0.4
629.24188	6.2
681.34503	3.6
711.07526	0.5
745.41650	1.2
907.46509	100.0
908.46790	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	907.465
Annotation	Unknow
Peak:m/z	Relative Intensity
66.46030	0.3
67.05499	3.6
69.03421	3.3
69.07069	0.9
70.92949	0.3
71.00372	0.9
71.01339	0.5
71.05003	0.8
72.08655	0.3
73.02915	3.9
79.05491	2.1
81.03415	1.8
81.07051	3.3
83.01359	0.3
83.04988	0.4
83.08640	0.5
85.02901	6.1
91.03946	3.8
91.05473	2.1
93.07043	3.3
95.04971	0.5
95.08598	2.5
97.02885	6.0
97.06516	0.5
99.04448	1.0
101.02384	1.8
105.07043	1.1
107.08614	1.8
109.02866	0.7
109.06522	0.3
109.10143	1.1
115.03922	0.6
117.06994	0.5
119.08620	0.8
121.10139	1.4
123.08079	0.6
127.03890	1.9
129.05519	0.5
129.06978	0.3
131.83179	0.3
133.10178	0.9
135.11699	1.2
145.05005	0.4
145.10139	0.7
163.11195	0.5
163.72028	0.3
185.04272	0.7
203.05275	0.7
211.13176	0.4
220.38925	0.3
243.08473	1.8
249.10959	0.4
252.01564	0.4
261.22345	0.4
283.15317	0.5
285.16846	0.4
301.32578	0.3
325.48438	0.3
335.25888	1.2
338.27792	0.3
347.09476	1.5
363.08859	0.4
365.10733	0.8
405.13638	4.6
467.18851	3.6
519.29175	5.5
527.83801	0.3
547.39441	0.4
548.40393	1.0
629.24121	2.7
681.34515	5.6
745.40997	1.3
907.46509	100.0
908.46912	6.0
918.77740	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.8
67.05497	39.4
69.03423	4.7
69.07061	10.2
69.07449	0.3
71.01347	0.5
71.04984	4.1
71.08624	0.4
71.33524	0.3
73.02913	3.4
73.06537	0.3
75.66964	0.2
77.03907	0.6
79.05484	34.1
81.03410	46.4
81.07047	44.2
82.03760	0.3
83.04973	12.5
83.08608	19.2
84.13082	0.2
85.02895	31.0
85.06525	2.3
87.04448	0.6
91.03951	7.5
91.05470	31.7
93.07034	34.1
94.07355	0.3
95.04958	22.0
95.08595	26.3
96.04497	0.5
96.08926	0.2
97.02876	8.7
97.06522	4.2
97.10160	4.6
99.04446	1.6
99.08080	1.3
103.03917	0.4
105.04511	0.4
105.07019	23.0
107.04950	4.3
107.08582	17.5
109.02873	0.5
109.06509	4.9
109.10146	10.7
111.04461	1.7
111.08071	7.9
113.05998	2.0
113.09644	0.2
115.03918	0.5
115.05433	1.4
116.06242	0.3
117.07004	4.3
119.04947	0.6
119.08567	19.1
121.06493	1.7
121.10131	16.9
123.08051	2.9
123.11697	4.2
125.05969	0.5
125.09628	1.6
127.03909	2.9
127.07549	0.5
128.06245	0.6
129.05534	0.4
129.06990	8.1
130.07887	0.3
131.08554	13.8
133.06483	2.0
133.10120	13.1
135.08052	0.5
135.11679	7.2
137.05962	0.4
137.09619	1.7
137.13226	1.0
139.11220	0.3
141.06992	0.4
142.07753	2.1
143.08582	1.0
145.04944	2.7
145.10112	5.9
147.08040	2.2
147.11668	13.0
149.09608	6.3
149.13243	3.7
151.11189	0.7
153.12805	0.2
155.08543	0.7
157.10114	11.4
159.11687	3.3
161.09639	0.4
161.13252	2.5
162.07510	0.2
163.06026	3.2
163.11134	1.2
163.14828	1.5
165.12729	2.3
169.10158	0.4
171.11713	0.6
173.11870	0.4
173.13245	3.2
175.11163	11.3
175.14700	1.0
177.12767	0.4
177.16368	0.5
180.08727	0.2
181.10178	0.2
181.12190	0.5
183.11714	0.3
185.13263	0.9
187.14804	1.7
189.11208	0.7
191.14337	0.3
193.12222	33.7
194.12473	0.3
195.11656	0.3
197.13264	0.6
199.14821	0.5
201.16437	0.4
211.13264	58.1
212.13702	0.4
215.18028	0.2
223.14856	0.2
227.12691	1.5
229.14293	0.4
233.22673	0.4
243.21091	2.5
249.14810	0.8
259.20636	0.3
261.22119	8.6
265.14471	0.3
267.15881	13.3
273.22122	0.4
279.23175	0.5
283.15488	0.6
285.16928	73.6
286.17325	0.6
299.20520	0.3
299.23508	0.4
301.22009	0.2
301.25046	1.0
303.23114	0.4
317.24738	2.4
333.24292	0.6
335.25760	59.1
336.26199	0.7
341.24646	0.3
359.25742	0.3
377.27151	0.2
381.19333	0.2
397.95218	0.2
407.32980	0.2
417.31406	0.7
429.21243	0.2
435.32568	2.4
451.30627	0.3
453.33597	2.3
463.30319	0.2
471.34866	1.4
473.33304	0.3
487.34671	0.3
491.34430	0.2
509.36383	1.0
527.37286	13.7
545.38312	100.0
546.38635	1.9
563.39478	1.3
672.66412	0.2
689.42053	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.6
67.05499	30.9
69.03432	3.1
69.07064	8.1
69.07450	0.3
71.04988	3.2
71.08617	0.3
73.02908	2.4
77.03893	0.3
79.05486	23.4
80.42635	0.2
81.03411	31.2
81.07050	33.2
83.04977	7.2
83.08611	13.6
85.02895	18.1
85.06519	1.3
87.04456	0.2
91.03953	5.0
91.05471	20.5
93.07034	25.1
95.04459	0.2
95.04961	13.5
95.08597	22.0
96.04475	0.4
97.02878	5.8
97.06519	3.0
97.10159	2.5
99.04457	0.8
99.08090	1.0
101.05959	0.3
103.03980	0.3
103.05480	0.3
105.04506	0.3
105.07021	15.6
107.04955	2.7
107.08585	13.5
109.02882	0.2
109.06511	2.7
109.10146	9.7
111.04431	1.3
111.08064	5.8
113.06001	1.4
114.24226	0.2
115.03925	0.3
115.05463	0.6
116.06203	0.3
117.07004	3.1
119.04955	0.4
119.08569	13.9
121.06517	0.8
121.10130	13.0
123.08047	1.9
123.11697	3.4
125.06055	0.2
125.09622	1.3
127.03902	1.7
127.07571	0.3
127.11121	0.3
128.06253	0.4
129.05534	0.3
129.06996	5.8
131.08560	9.5
133.06497	1.5
133.09091	0.4
133.10110	8.4
135.08070	0.5
135.11681	6.2
137.09604	1.0
137.13234	0.9
142.07780	1.7
143.08556	0.5
145.04964	1.6
145.10121	4.3
147.08058	1.7
147.11678	10.0
149.09608	3.4
149.13246	3.3
151.11171	0.5
153.12703	0.3
155.08595	0.5
157.10118	7.2
159.11671	2.7
161.13246	1.9
163.06026	2.2
163.11150	1.0
163.14796	1.4
165.12755	1.8
169.10117	0.5
170.40062	0.2
171.11664	0.7
173.04773	0.3
173.13219	2.3
175.11176	7.1
175.14717	1.0
177.16364	0.5
183.11739	0.4
184.07518	0.3
185.13246	0.4
187.14745	1.2
189.11176	0.4
191.14381	0.3
193.12227	22.0
195.11821	0.3
199.14754	0.2
201.16330	0.4
211.13272	29.3
227.12766	0.9
229.14302	0.4
233.22670	0.4
243.21054	2.3
249.14813	0.4
259.20752	0.3
261.22122	8.1
267.15891	9.8
269.17368	0.3
275.20108	0.3
277.21552	0.4
279.23172	0.3
285.16934	38.7
299.23633	0.4
301.25284	0.8
303.23114	0.3
317.24756	1.8
333.24332	0.4
335.25763	61.3
336.26013	0.6
350.27954	0.2
417.31232	0.6
423.27994	0.3
435.27435	0.4
435.32556	1.3
447.31512	0.2
453.33667	1.5
471.34912	1.2
487.33862	0.3
501.35934	0.3
509.36050	0.8
527.37299	13.2
528.37433	0.3
545.38318	100.0
546.38794	1.8
563.39276	0.7
689.42322	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.51
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03905	1.1
65.52800	0.6
67.05500	26.2
67.05831	1.0
67.33869	0.6
69.03378	1.7
69.07061	7.8
69.51029	5.2
71.04948	1.9
73.02876	1.5
79.05486	25.1
81.03374	2.3
81.07050	29.8
83.04972	2.6
83.08614	5.8
85.02886	3.4
85.06512	1.4
91.03897	1.9
91.05471	9.7
93.07036	34.0
94.07339	0.6
95.04469	0.5
95.04962	6.0
95.08598	37.9
97.02885	3.9
97.06506	2.8
97.10144	1.2
98.20739	0.9
99.04417	1.8
105.06398	0.6
105.07021	8.9
107.04919	3.6
107.08582	21.4
108.08899	0.6
109.06448	1.8
109.09455	0.7
109.10139	9.6
111.08038	1.4
117.07018	7.2
119.08578	11.5
121.06508	3.3
121.07211	0.7
121.10130	15.2
123.08069	0.9
123.11635	2.3
125.05950	1.8
129.06940	0.7
130.07727	1.5
131.08568	4.3
133.10120	5.9
135.08041	1.1
135.11681	32.7
137.13176	0.9
139.07530	1.0
141.00308	0.6
143.08557	0.8
145.10110	19.5
147.11615	2.5
149.13210	2.4
153.12756	1.1
159.11598	2.1
161.13185	2.0
163.05939	0.7
163.11169	37.5
163.14749	1.0
172.64728	0.5
173.09570	0.6
173.13214	2.1
175.14836	0.9
177.16205	0.8
181.12225	6.6
187.14824	0.7
209.11607	0.9
227.12759	42.0
228.13000	0.6
243.21039	2.0
261.22150	7.7
280.39960	0.6
283.15375	58.8
284.15912	0.7
317.24719	1.9
335.25766	97.5
336.26099	1.6
525.35962	0.9
543.36774	100.0
544.37323	3.1
547.42163	0.6
561.37952	1.1
876.47937	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.8
66.26978	0.3
67.05499	42.6
68.05838	0.5
69.03425	3.5
69.07060	10.6
69.52271	1.7
69.52693	0.7
71.01337	1.5
71.04988	4.6
71.08626	0.8
73.02906	5.0
73.06524	0.3
73.75513	0.3
75.04484	0.4
77.03899	0.3
79.05003	0.5
79.05484	35.4
81.03410	11.4
81.07047	45.7
83.01330	7.6
83.04475	0.5
83.04975	10.8
83.08608	12.7
85.02894	20.6
85.06536	2.2
87.04466	0.5
91.03948	11.1
91.05470	21.7
93.03374	0.4
93.07033	46.3
94.07359	0.3
94.91783	0.3
95.04958	8.6
95.08596	32.8
96.04482	0.7
97.02882	11.7
97.03507	0.6
97.06515	5.6
97.10159	4.7
97.80423	0.3
99.04441	3.5
99.08077	1.0
101.02342	0.6
103.03943	0.4
103.05479	0.7
105.04508	0.9
105.07019	17.5
107.04948	6.7
107.08584	26.7
109.02856	1.1
109.06504	7.3
109.10140	14.5
111.04424	2.5
111.08083	2.0
111.11717	0.4
113.09580	0.3
115.03885	0.8
115.05399	0.4
116.06236	0.5
117.07004	11.9
119.08567	15.5
121.06501	3.8
121.10131	21.2
123.04402	0.8
123.08051	8.4
123.11697	3.8
124.12019	0.3
125.06012	1.4
125.09624	3.7
127.03908	4.9
128.06215	0.5
129.05475	0.4
129.06982	2.8
130.07767	1.3
131.04907	0.5
131.08554	12.0
133.06488	0.3
133.10118	8.5
135.04445	0.3
135.08066	2.3
135.11676	19.7
137.09596	2.1
137.13248	1.7
139.07510	0.6
139.11128	0.6
140.54311	0.3
140.80992	0.3
143.08536	2.1
144.06535	0.5
145.04950	4.9
145.06444	1.2
145.10109	20.6
147.08032	2.4
147.11667	4.9
149.05939	0.4
149.09604	1.3
149.13249	5.6
151.11186	0.9
151.14795	0.5
153.09058	0.5
153.12714	2.9
155.08507	1.6
157.10156	1.3
159.11682	5.3
161.09631	0.4
161.13260	3.3
163.06003	6.3
163.07381	0.5
163.11165	21.6
163.14813	2.8
165.09143	0.4
165.12779	0.3
167.08522	0.3
169.10107	0.6
171.10300	0.5
171.11707	1.3
173.09602	4.0
173.11786	0.5
173.13211	4.7
175.11250	0.5
175.14795	2.0
177.12810	0.5
177.16335	0.9
179.14095	0.4
180.08723	0.4
181.10413	0.5
181.12187	3.5
183.11653	0.7
185.13275	1.2
187.14813	2.4
189.11159	2.4
189.12491	0.3
189.16388	0.4
191.10661	2.8
193.12250	1.7
195.11758	0.4
197.13315	0.5
199.13211	0.4
199.14828	0.9
201.16374	1.1
205.15845	0.3
209.11691	5.8
209.13550	0.4
211.13228	1.6
211.97440	0.3
213.12814	0.3
213.16420	0.3
215.17877	0.6
227.10472	0.6
227.12746	12.2
233.22644	0.4
237.36794	0.3
241.19565	0.6
243.15692	0.3
243.21043	4.7
245.13818	0.5
247.16991	0.4
259.20499	1.7
261.22107	14.0
267.15945	2.1
271.24103	0.3
273.22098	0.6
275.19937	0.4
277.21643	0.7
279.23233	0.4
281.22632	0.4
283.15366	100.0
284.15698	1.2
285.17007	1.1
297.22137	0.7
299.23669	4.2
301.21564	0.6
313.27295	0.4
314.27600	0.4
315.23349	0.6
317.24750	4.8
327.23480	0.3
333.24310	1.9
335.25763	62.1
336.26096	0.8
339.23212	0.4
347.26080	0.3
355.26248	0.3
357.24191	0.5
403.24396	0.3
415.29736	0.9
423.32550	0.5
428.09399	0.3
433.30914	2.0
451.32184	3.2
466.35519	0.3
469.33154	3.5
471.32037	0.4
487.34476	1.7
507.34546	0.4
515.37384	1.4
517.35175	0.6
525.35663	8.4
543.36774	61.6
544.37140	0.7
561.37793	6.4
681.88959	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
63.64219	0.3
65.03899	1.4
67.05498	34.7
67.55730	0.3
69.03423	3.2
69.07061	9.2
70.87415	0.9
71.01318	1.0
71.04987	2.7
71.08610	0.8
73.02911	4.1
77.03890	0.8
79.05486	29.6
81.03410	8.6
81.07048	39.4
83.00883	0.5
83.01331	5.9
83.04973	7.8
83.08611	10.8
85.02895	16.0
85.06540	1.7
85.06926	0.3
91.03949	9.0
91.05471	18.7
93.07034	39.3
95.04961	7.5
95.08598	28.3
95.09233	0.8
96.04429	0.6
97.02298	0.6
97.02882	10.0
97.06516	4.1
97.10159	4.0
99.03946	0.3
99.04439	3.0
99.08060	1.2
103.05428	0.7
105.04495	0.6
105.07023	13.9
107.04950	5.6
107.08584	21.2
109.02877	0.7
109.06501	5.4
109.10141	11.8
111.04404	1.6
111.08066	2.4
111.11685	0.6
113.09625	0.3
115.03885	0.7
115.05412	0.9
117.06225	0.5
117.07001	8.3
119.08570	13.0
121.06513	2.9
121.10132	16.0
123.04453	0.4
123.08062	6.4
123.10930	0.4
123.11704	4.5
125.05917	1.0
125.09608	3.2
127.03899	4.3
128.06155	0.4
128.89500	0.4
129.05493	0.5
129.06963	1.9
130.07732	1.4
131.07605	0.5
131.08556	9.9
133.10117	7.4
135.08086	1.6
135.11676	16.4
137.09604	1.6
137.13234	1.6
139.07481	0.7
139.11160	0.7
143.08545	2.1
145.04938	4.5
145.06471	0.8
145.10110	16.3
147.08041	1.6
147.11670	5.3
149.05936	0.3
149.09590	1.0
149.12027	0.3
149.13237	5.7
151.11151	0.6
151.14743	0.5
153.08992	0.5
153.12758	2.5
155.08478	1.2
157.10063	1.0
159.11684	5.5
161.13229	3.8
163.06001	6.3
163.11163	17.0
163.14781	3.1
165.12712	0.8
171.11671	1.1
171.47807	0.4
173.09613	2.6
173.11771	0.5
173.13217	4.9
175.14792	1.3
177.12711	0.7
177.16357	1.0
180.08656	0.5
181.12193	2.6
183.11682	0.8
185.13173	0.7
187.14787	2.3
189.11208	3.1
191.10695	2.7
193.12238	1.9
195.11632	0.5
197.13281	0.3
199.14781	1.1
201.16254	0.9
205.15843	0.5
209.11696	4.4
210.46788	0.3
211.13052	1.7
211.14986	0.4
213.16354	0.4
215.17911	0.6
223.14799	0.4
225.16406	0.6
227.10492	0.5
227.12744	10.6
233.22644	0.5
241.19495	0.9
243.21085	5.4
245.13831	0.5
259.20566	2.2
261.22119	19.1
265.14307	0.5
267.15906	2.2
268.16254	0.4
273.22037	1.1
277.21606	0.9
279.23077	0.8
281.22525	0.5
283.15366	91.9
284.15765	1.3
285.16998	1.1
297.22122	0.4
299.23694	5.4
301.21671	0.7
314.27631	0.6
315.23129	0.5
317.24741	6.1
333.24271	3.2
335.25769	94.4
336.25992	1.9
340.17770	0.4
345.24451	0.4
355.26212	0.4
369.24570	0.4
415.29602	0.7
423.32437	0.7
433.31186	2.5
451.32089	3.8
469.33130	4.2
485.32834	0.8
487.33987	1.3
497.31094	0.4
506.39386	0.6
515.37122	1.8
517.35278	0.7
525.35699	9.6
533.38281	0.5
543.36768	100.0
544.37115	3.0
561.37775	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	899.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
66.43823	0.3
69.84876	1.7
69.85278	0.5
78.22959	0.3
82.99902	1.3
85.02880	0.5
97.02868	0.6
97.42059	0.3
101.00826	1.6
109.02866	0.8
113.00888	0.4
119.01910	8.4
127.02396	0.9
127.03873	0.6
131.01892	2.5
137.02954	2.1
143.01884	10.1
145.03455	6.9
147.01378	0.8
147.04999	0.4
149.03000	0.4
153.03935	0.3
155.01862	6.5
155.03085	0.4
157.03430	2.9
161.02945	17.0
163.04601	0.6
167.01891	3.9
169.03448	11.7
170.03497	0.5
171.01372	0.4
171.05013	5.7
173.02950	13.8
174.03043	0.5
175.04514	0.8
179.01872	1.5
181.03391	1.0
183.04987	0.7
184.04489	0.8
185.02943	26.3
186.03174	0.6
187.04510	16.5
188.04723	0.3
189.02475	0.4
189.06097	0.8
191.04010	0.6
193.03580	0.5
195.01482	0.4
196.04556	0.6
197.02934	14.6
198.03125	0.7
199.04492	1.5
203.03981	10.3
208.04469	0.5
209.02946	1.0
210.06203	0.7
211.04541	2.2
213.02432	1.1
213.06129	0.6
214.85086	0.4
215.03989	18.1
219.01920	0.4
220.04483	0.7
221.02991	0.5
221.05035	1.4
226.05690	0.4
227.03990	7.2
229.05647	0.4
231.03499	0.6
233.05101	1.7
235.04330	0.4
238.05627	0.4
239.03990	1.4
241.05647	0.5
245.05052	100.0
246.05304	2.7
253.05580	0.8
257.05048	5.4
263.06110	14.6
271.06534	0.5
275.06091	63.0
276.06284	1.8
281.07159	0.6
286.07678	1.4
287.06058	4.9
287.08911	0.5
293.03949	0.7
293.07141	11.7
299.06076	0.5
305.07150	18.7
306.07446	0.6
316.08710	1.7
317.06976	3.2
319.08728	0.6
323.08215	1.0
329.07193	0.5
335.08182	12.5
336.08527	0.5
347.08261	1.2
359.08160	0.7
365.09229	27.7
366.09341	1.0
377.09213	2.4
383.10303	2.6
385.57181	0.4
395.10208	3.1
406.11728	0.4
407.10147	0.6
410.09424	0.4
425.11377	33.6
426.11612	1.3
437.11295	2.8
455.12500	7.4
467.12604	0.7
485.13504	7.2
495.11777	0.6
497.13004	0.4
527.14703	2.3
539.14587	2.1
545.15747	2.3
557.15619	31.5
558.15741	1.2
587.15845	0.4
700.86877	0.4
707.20599	0.8
866.57788	0.4
901.49866	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	0.5
67.05503	13.0
69.03437	3.3
69.03741	0.7
69.07063	5.9
70.04183	0.5
71.04955	1.7
71.08625	12.4
71.59743	0.5
71.60149	0.8
73.02908	4.9
79.05488	7.3
81.02972	0.5
81.03410	6.0
81.07052	14.1
82.04195	2.6
83.04986	4.9
83.08614	8.2
85.02898	10.8
85.06529	0.9
85.10183	7.0
89.06029	0.9
91.03506	0.5
91.03954	6.2
91.05479	5.5
93.06567	0.5
93.07044	5.7
95.04951	5.8
95.08601	12.3
97.02381	0.6
97.02882	6.0
97.06523	3.6
97.10170	8.8
98.07317	2.8
98.10399	0.5
99.04431	0.9
99.11676	0.6
99.38213	0.6
101.05998	0.6
103.07538	0.6
105.07059	3.6
105.07635	0.8
106.07780	0.5
107.04892	1.8
107.08591	5.2
109.06471	1.2
109.10144	8.3
111.04410	0.8
111.08061	1.9
111.11686	0.6
115.03883	0.8
116.03973	0.7
116.04713	8.1
117.07003	1.4
119.08562	2.8
121.06475	1.0
121.10105	2.1
123.08060	2.4
123.11725	2.4
125.09622	9.4
127.03876	2.3
127.11169	0.7
129.05472	20.8
129.06981	2.2
131.08516	2.0
133.10147	2.9
135.08057	1.1
135.11668	1.2
137.09605	0.8
143.07031	4.8
145.04922	2.7
147.11661	1.9
147.52802	0.6
149.09605	1.4
153.09090	0.9
153.12657	0.7
157.08618	10.3
157.09981	1.3
158.05687	0.9
163.06087	3.0
163.11200	1.4
164.12000	0.8
165.12791	0.8
171.06558	1.5
171.10193	3.8
173.11633	0.8
175.11115	1.2
185.11696	1.1
186.71205	0.5
189.11217	6.4
191.10695	0.5
193.12183	2.4
199.13266	3.1
200.14076	2.1
209.11707	1.0
210.12506	0.8
211.13252	1.2
221.22641	0.5
227.12730	9.4
229.14267	1.1
239.23634	1.6
255.15900	2.1
257.24814	1.8
267.15903	4.2
268.42444	0.5
283.15341	1.9
284.16089	1.2
301.16440	100.0
302.16754	1.4
311.22220	0.7
313.27341	66.5
314.27737	1.3
331.28220	0.7
367.28433	3.5
395.31464	1.6
438.36975	1.4
467.37314	1.1
505.38788	4.5
521.38440	1.1
522.39178	1.7
539.39386	75.5
540.39850	2.4
597.02228	0.7
879.37158	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	2.3
67.05500	40.9
69.03419	2.1
69.07064	11.3
69.07454	0.4
70.73442	0.6
70.92764	0.3
71.04990	2.3
71.08634	0.7
73.02908	2.7
77.03902	0.4
79.05488	26.3
80.05795	0.4
81.03410	2.5
81.07050	51.8
82.07394	0.6
83.04977	2.9
83.08615	8.6
85.02898	11.1
85.06528	2.5
91.03951	5.9
91.05472	15.4
93.07036	36.1
95.04957	4.1
95.08599	27.2
96.08933	0.4
97.02878	5.5
97.06517	4.3
97.10166	1.4
99.04473	0.8
99.08100	1.2
105.04522	0.7
105.07024	9.0
107.04969	0.5
107.08587	21.1
107.21826	0.3
109.02942	0.4
109.06524	1.5
109.10150	10.5
111.08086	2.5
111.11714	0.4
113.09651	0.4
115.03934	0.6
115.05460	0.3
117.05576	0.3
117.07011	5.6
119.08576	5.6
121.06519	1.1
121.10130	13.9
123.08069	0.9
123.11710	4.3
125.09602	0.6
127.03883	2.7
127.07554	0.4
129.07005	0.7
130.07877	0.3
131.07588	0.5
131.08562	7.7
131.09511	0.5
133.10121	10.3
135.08072	0.7
135.11678	10.3
137.09651	0.5
137.13235	0.8
143.08527	0.7
145.04929	2.7
145.10097	3.4
147.11685	3.8
149.09607	0.5
149.13249	9.1
151.11165	1.3
157.10178	0.7
159.11671	6.2
160.11989	0.4
161.13239	2.4
162.07608	0.4
163.05991	3.2
163.14772	1.6
165.12851	0.6
167.14313	0.3
171.11746	0.5
173.13199	2.3
175.14844	1.0
177.12758	2.0
177.16365	0.7
179.14351	0.5
180.08728	0.4
185.13184	0.5
187.14825	1.5
189.16383	0.3
192.95001	0.3
195.13792	6.7
199.14857	0.4
201.16501	0.5
213.14734	1.5
229.14438	0.5
233.15398	0.4
233.22772	0.3
243.21001	1.9
251.16443	0.5
259.20676	0.5
261.22141	7.7
262.22821	0.3
266.91345	0.3
267.15894	1.0
269.17456	43.2
270.17896	0.7
279.23276	0.4
289.21725	0.3
317.24756	1.8
333.24475	0.4
335.25778	68.5
336.26068	1.7
413.21735	0.4
419.33215	0.5
421.30066	0.3
437.34222	2.2
455.35022	0.8
473.36188	0.5
475.34659	0.3
497.30817	0.3
511.37903	1.9
529.38849	100.0
530.39160	4.4
547.39886	2.8
673.42664	0.8
888.49719	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.531
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	1.2
67.05502	37.9
68.55000	0.3
69.03429	1.2
69.07067	11.4
69.58318	2.2
71.01358	0.4
71.04989	2.5
71.08643	0.4
73.02917	2.4
77.03948	0.5
79.05489	25.3
81.03425	1.1
81.07053	47.4
83.04980	3.4
83.08613	8.1
85.02898	6.8
85.03416	0.4
85.06545	2.1
91.03954	4.4
91.04886	0.4
91.05476	12.3
93.07040	39.2
94.07377	0.4
95.04966	3.6
95.08602	23.0
96.04486	0.4
97.02888	3.7
97.06532	6.9
97.10165	1.8
99.04488	0.8
99.08086	1.4
105.04529	0.4
105.07023	7.2
107.08588	20.9
109.06518	1.4
109.10146	7.2
111.08073	3.9
113.06024	0.7
113.09650	0.7
117.07011	5.0
119.08575	4.7
121.06503	0.8
121.10143	16.5
122.10413	0.3
123.08061	0.8
123.11702	3.0
125.09633	0.8
127.03919	1.8
129.06987	0.6
131.08563	7.4
133.10129	6.4
135.08084	0.6
135.11685	9.0
137.09653	0.4
137.13275	0.6
138.04112	0.3
139.11206	0.7
143.08603	0.7
145.04941	1.9
145.10106	3.2
147.11694	2.7
149.09634	0.6
149.13254	18.7
153.09148	0.3
157.10190	0.5
159.11685	10.2
161.13242	1.7
163.06026	2.7
163.14836	1.0
165.12767	0.9
171.11708	0.4
173.11884	0.5
173.13217	2.2
175.14850	0.7
177.12747	2.9
177.16336	0.5
183.37236	0.4
187.14859	0.9
195.13802	7.5
201.16327	0.4
213.14857	1.1
215.18100	0.3
218.30730	0.3
233.22694	0.4
243.21089	2.4
259.20584	0.5
261.22131	9.0
267.15912	2.5
269.17462	100.0
270.17892	2.2
299.23749	0.3
317.24792	1.9
333.24411	0.6
335.25790	49.3
336.26123	1.5
419.33105	0.6
435.30844	0.4
437.34082	1.9
455.34979	1.3
473.36102	0.4
475.34479	0.4
489.35977	0.4
511.31000	0.4
511.37704	1.1
529.38873	98.8
530.39252	5.8
547.40021	3.0
673.42273	0.4
888.50134	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	888.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	2.1
67.05501	52.0
69.03422	2.1
69.07066	14.1
70.73419	1.0
71.04987	3.4
71.08610	0.8
72.46474	0.3
73.02910	3.7
79.05489	30.6
81.03419	3.0
81.07052	62.6
82.07397	0.4
83.04965	3.3
83.08615	11.8
85.02896	13.7
85.06522	2.4
87.04489	0.4
91.03951	8.4
91.04884	0.7
91.05476	19.2
93.07039	42.6
94.07372	0.5
95.04959	5.7
95.05543	0.4
95.08601	30.6
96.04525	0.4
96.08968	0.5
97.02883	6.5
97.06522	6.1
97.10187	2.1
99.04455	1.2
99.08051	1.8
105.04521	0.4
105.07025	11.3
107.04983	0.3
107.08586	26.8
107.33182	0.3
108.08919	0.4
109.06532	2.1
109.10146	11.8
111.08079	3.4
113.05989	0.4
115.03918	0.5
117.07013	7.4
119.08569	7.1
121.06517	1.4
121.10139	15.0
123.08071	1.0
123.11702	5.8
125.09631	1.0
127.03913	3.0
129.06984	0.9
131.08565	10.1
133.10121	12.8
135.08096	1.2
135.11685	12.1
137.09633	0.8
137.13254	0.7
139.11168	0.7
143.08600	0.9
145.04959	3.4
145.10101	4.5
147.11679	4.9
149.09631	0.7
149.13246	12.5
151.11182	1.5
157.10155	1.0
159.11679	7.9
159.13007	0.4
161.13237	3.0
163.06006	4.2
163.11197	0.4
163.14824	1.7
165.12753	0.6
167.14331	0.4
169.10051	0.4
171.11691	1.0
173.13214	3.2
175.14870	1.1
177.12752	3.2
177.16374	0.6
179.14330	0.8
185.13318	0.8
187.14766	1.8
193.12453	0.4
195.13791	8.7
195.15459	0.6
199.14803	0.6
201.16570	0.6
213.14896	1.1
215.18025	0.4
241.19695	0.4
243.21069	2.5
253.17731	0.7
259.20544	0.7
261.22150	9.0
267.15765	2.1
269.17462	68.6
270.17856	1.3
275.20142	0.6
279.47333	0.4
299.23553	0.5
317.24780	2.6
333.24203	0.4
335.25781	59.6
336.26108	1.7
403.07559	0.4
413.21930	0.5
419.33038	0.9
435.31027	0.4
437.34134	3.3
455.35272	2.2
473.36298	0.8
475.35159	0.4
511.38092	2.5
529.38867	100.0
530.39130	4.5
547.39972	4.1
673.43140	0.8
833.13263	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.464
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	0.7
67.05499	12.6
69.03423	2.5
69.07060	3.3
71.01322	0.3
71.04985	2.2
71.56211	0.6
73.02910	0.8
75.78365	0.3
79.05488	13.0
81.03411	62.3
81.07049	14.4
82.03752	0.3
83.04971	6.4
83.08611	17.9
85.02895	10.6
85.06528	0.8
86.20045	0.3
91.03943	1.8
91.05473	16.7
93.07030	9.5
95.04962	22.1
95.08591	6.6
96.05313	0.4
97.02882	3.8
97.06520	2.3
97.10159	4.2
99.04446	0.7
99.08091	0.6
101.09596	0.4
103.05470	0.5
105.06296	0.4
105.07024	12.7
107.04942	6.7
107.08588	5.9
109.02880	0.8
109.06507	4.2
109.10140	3.5
111.04420	1.9
111.08078	7.6
113.05978	0.9
115.05448	1.1
117.07012	1.6
119.04947	1.1
119.08574	12.8
121.06501	3.2
121.10130	6.3
123.04418	1.8
123.08059	1.9
123.11707	1.0
125.05988	0.4
125.09608	3.0
127.03898	0.8
128.06212	0.7
129.05516	0.4
129.06992	8.6
131.04921	1.0
131.08551	10.0
133.06467	3.3
133.10117	5.8
135.04372	0.7
135.08022	1.5
135.11653	0.8
137.05988	1.0
137.09619	1.5
139.03891	0.7
141.06955	0.6
142.07758	2.1
143.08563	1.5
145.04962	0.9
145.06476	4.1
145.10129	2.3
147.04381	1.6
147.08044	4.2
147.11678	9.8
149.06021	0.5
149.09602	5.4
151.03908	0.7
151.07539	0.4
151.11150	0.5
153.01837	0.4
153.09094	0.7
155.08498	0.8
157.06541	0.7
157.10115	10.6
159.08057	0.8
159.11684	0.7
161.05980	1.1
161.09627	0.8
163.03912	0.7
163.05998	1.0
163.07498	0.3
163.11176	1.6
165.05478	0.3
165.12785	2.1
167.07048	0.6
169.06474	0.6
169.10153	0.9
171.08051	1.0
171.11667	1.3
173.05962	0.4
173.09656	0.6
173.11797	0.5
175.11174	11.5
177.05499	0.5
177.12764	0.3
181.04919	0.4
181.10115	0.5
183.08028	0.5
183.11673	0.3
185.09599	0.9
185.13231	0.4
187.11197	1.0
187.14719	0.4
189.05505	0.3
189.11177	1.5
189.12784	1.1
191.07115	0.4
191.10707	0.4
191.66389	0.3
192.34152	0.3
193.12228	32.3
194.12624	0.6
195.08052	0.3
195.11649	1.5
197.09579	0.5
197.13289	1.1
199.11270	0.5
203.14316	0.6
205.12189	1.0
211.11382	0.4
211.13263	11.9
211.15268	0.6
213.12755	0.8
215.14391	0.5
217.61780	0.3
219.13763	0.4
223.13202	0.5
227.12767	0.9
227.14619	0.4
229.12169	0.3
229.14316	1.2
231.13898	0.7
233.15350	0.8
235.13173	0.4
237.12714	0.9
237.14888	0.4
243.13840	0.4
249.14890	2.0
255.13753	2.1
257.15277	0.5
259.13397	0.7
267.15891	100.0
268.16306	1.3
273.14853	5.0
281.15399	0.4
285.16940	10.9
287.16507	0.5
289.17636	0.3
299.16327	0.6
301.14331	1.0
303.08566	0.6
309.16995	0.8
311.16150	0.3
321.22052	0.5
323.19263	0.6
339.23270	1.3
341.21008	2.2
349.21649	3.0
357.24271	1.2
367.22644	6.6
379.20709	0.3
382.18616	0.3
385.23697	7.6
403.24817	2.9
405.24594	0.6
415.24896	0.7
421.25525	0.4
423.25208	0.5
433.25833	17.7
441.26352	7.8
451.14044	0.4
459.27380	79.7
460.27835	1.5
477.28448	48.5
478.28989	1.1
491.29877	1.2
501.28333	2.3
509.30991	1.1
519.29559	3.0
525.28516	0.4
543.29572	0.5
555.29309	0.4
565.57318	0.4
567.29059	0.8
573.30646	1.0
585.30701	2.2
603.31873	1.8
621.32513	1.5
664.88123	0.4
800.04419	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
64.64526	0.2
65.03905	0.7
67.05498	12.3
69.03423	2.5
69.07061	5.9
71.04996	2.4
71.08627	13.8
71.61762	0.2
71.62264	0.4
73.02908	2.5
79.05483	9.0
81.03410	28.2
81.07047	16.3
83.04973	6.4
83.08609	14.8
85.02895	18.7
85.06530	1.1
85.10174	7.6
87.04453	0.4
89.05994	0.9
91.03403	0.4
91.03947	6.0
91.05471	13.3
93.06470	0.4
93.07034	6.3
93.07611	0.4
94.97682	0.2
95.04959	11.9
95.08597	13.3
96.61724	0.2
97.02283	0.3
97.02881	5.8
97.06506	1.9
97.09632	0.2
97.10164	3.6
99.04404	0.7
99.08045	0.7
99.11714	0.3
101.02330	0.2
103.07552	0.7
105.07019	9.0
107.04942	2.9
107.08583	3.2
109.02876	0.4
109.06502	2.0
109.09457	0.4
109.10149	5.3
111.04417	1.0
111.07362	0.3
111.08075	4.6
111.11691	0.5
113.06023	1.1
115.03899	0.3
115.05459	0.5
117.07058	0.6
117.31936	0.2
119.04867	0.4
119.08569	8.9
121.06501	0.5
121.10130	3.8
123.08032	0.9
123.11708	2.3
125.05914	0.2
125.09605	0.6
127.03883	1.8
127.07541	0.3
129.06985	4.7
131.08563	5.0
133.06482	1.1
133.10120	5.9
137.09575	1.0
137.13199	0.7
142.07779	1.1
145.04955	2.5
145.10091	0.6
147.08044	1.5
147.11674	6.8
149.09592	3.1
157.10114	7.1
163.06001	2.4
163.11153	0.5
165.12740	1.6
175.11162	7.7
183.13724	0.2
193.12227	21.8
194.12569	0.3
199.93591	0.2
211.13272	35.1
212.13541	0.3
221.22636	0.3
239.23637	1.2
249.14828	0.4
257.24817	1.1
267.15881	15.2
275.25793	0.2
285.16934	58.6
286.17276	0.7
313.27335	57.7
314.27625	1.3
355.17572	0.3
505.38879	14.4
506.38965	0.4
523.39899	100.0
524.40247	3.2
620.16785	0.2
667.43964	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	9.0
65.03918	0.7
67.05168	0.6
67.05495	9.1
69.03409	1.7
69.07066	5.6
69.39336	0.4
69.39694	4.4
71.04987	2.4
71.08627	15.4
73.02908	3.5
73.06538	0.6
79.05057	0.8
79.05488	9.2
79.05947	0.6
81.02972	0.6
81.03413	6.9
81.06588	0.9
81.07055	15.2
83.01333	4.2
83.04974	5.3
83.08615	11.1
85.02902	12.9
85.03419	0.6
85.06525	0.9
85.09715	0.7
85.10175	9.0
89.06022	1.3
91.03948	7.1
91.05480	6.3
93.06478	0.6
93.07044	12.3
95.04950	3.3
95.08601	12.7
96.04498	0.6
97.02885	7.9
97.06537	2.8
97.10167	3.8
99.04448	2.5
99.08096	0.7
103.07569	1.0
105.07026	4.0
107.04951	4.3
107.08587	6.6
107.64929	0.4
109.02895	0.8
109.06522	3.3
109.10150	4.6
111.04421	1.7
111.08105	1.1
111.11729	0.7
115.03889	0.6
117.07000	3.4
119.08561	4.8
121.06482	1.8
121.10137	4.5
123.08067	5.3
123.11662	2.2
125.05994	1.0
125.09583	0.8
127.03901	2.6
129.06950	0.6
130.07820	0.7
131.08542	2.1
133.10101	1.3
135.07990	0.7
135.11691	8.6
137.09575	1.3
137.13225	1.1
145.04941	2.9
145.06494	0.6
145.10110	9.0
147.08011	1.0
153.12747	1.4
155.08527	1.1
163.05994	3.7
163.11182	14.5
173.09607	2.3
181.12228	2.4
191.10648	1.8
201.59326	0.5
209.11777	3.0
227.12778	2.9
239.23647	1.3
257.24780	1.8
283.15384	100.0
284.15729	2.1
313.27341	73.6
314.27750	1.6
521.38367	50.4
522.38641	2.2
525.20013	0.6
559.43311	0.5
613.73315	0.5
728.98511	0.5
823.30194	0.5
869.46448	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5349
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	3.2
62.25978	1.0
65.03931	4.9
67.05499	100.0
69.03423	11.6
69.07063	64.7
69.07450	2.1
69.41350	7.9
69.41771	2.9
71.01347	2.3
71.04650	1.2
71.04990	5.8
72.57182	1.1
73.02917	2.4
73.58728	1.1
77.03924	1.5
78.78989	1.2
79.05485	68.2
81.03410	14.9
81.07050	86.1
82.07372	1.2
83.04980	14.5
83.08617	19.7
85.02882	8.2
85.06536	5.0
91.04890	2.2
91.05473	63.6
93.07036	64.0
95.04958	19.9
95.08599	52.9
96.08937	1.3
97.02895	6.7
97.06527	24.2
97.10152	12.2
99.04459	1.9
99.08070	3.1
103.05477	1.6
105.07020	52.9
107.04948	14.3
107.08588	38.9
109.02853	2.8
109.06503	11.3
109.10143	29.7
111.04471	2.8
111.08062	5.8
113.09617	2.0
115.05415	2.3
117.07007	21.4
119.04917	1.2
119.08571	37.8
121.06506	7.2
121.10141	22.8
123.04389	1.8
123.08063	8.8
123.11737	3.2
125.09616	12.4
127.03896	4.0
128.06232	3.7
129.05482	3.4
129.06982	10.7
130.07753	2.3
130.59183	1.2
131.04915	1.9
131.08557	27.1
131.09511	1.8
131.47232	1.2
133.06496	2.6
133.10121	33.7
135.08023	6.3
135.11671	16.7
137.09604	14.8
139.11186	2.4
141.06985	4.3
142.07768	2.6
143.08542	7.9
145.06514	2.1
145.10104	19.9
147.08051	2.9
147.11674	15.8
149.09612	29.0
149.10741	2.2
149.13243	11.2
151.03778	1.3
151.11197	3.7
153.09068	1.8
155.08571	4.6
155.10698	2.0
156.09296	1.1
157.08817	2.2
157.10138	9.5
159.08032	2.0
159.11676	19.6
161.09641	4.8
161.13249	8.6
163.11130	11.4
165.09142	2.9
165.12762	2.6
167.08588	1.8
169.10124	5.0
169.12291	1.3
171.10304	2.1
171.11685	8.4
173.04416	1.4
173.11737	7.7
173.13257	8.1
175.11198	4.3
175.14813	1.2
177.12772	6.4
179.14310	5.6
181.10051	1.8
181.12254	2.4
183.11649	6.1
185.13261	4.2
187.11160	2.5
187.14789	2.1
189.11226	4.0
189.12613	2.0
189.16324	1.9
193.12222	1.9
195.11830	2.2
195.13823	4.9
197.13274	4.3
199.13249	1.7
199.14854	1.7
200.59721	1.0
201.16403	1.6
203.14465	1.8
207.13849	1.4
211.14853	2.7
217.15950	2.1
223.13188	1.8
227.12750	6.6
229.14258	10.0
229.16173	1.2
229.19518	3.3
239.18015	3.1
241.19467	1.6
245.18848	1.3
247.20618	2.9
253.18001	2.2
255.15781	7.6
257.18985	10.2
259.20383	2.7
267.15848	2.4
269.17441	14.0
273.18506	5.2
275.20047	38.5
276.20181	1.3
291.19458	10.0
293.21118	4.1
331.22766	2.2
333.24106	2.6
336.26038	1.4
349.23672	35.7
365.23257	3.8
367.25031	2.1
383.24649	1.5
409.25824	4.3
423.27512	9.2
445.29703	2.2
503.33545	3.3
511.34268	1.3
525.35400	1.7
527.37109	3.7
529.35266	5.2
543.36749	20.6
544.37531	1.3
561.37970	1.5
595.42865	1.5
623.42993	7.7
635.29230	1.6
641.43976	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	872.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91643	0.3
68.05013	0.6
68.63484	0.3
69.07058	2.8
70.02941	0.9
70.06584	100.0
71.06918	1.0
71.61498	0.4
71.61887	0.2
72.43484	0.2
73.54784	0.2
81.03426	0.3
83.04859	0.3
85.04028	0.4
86.09697	18.7
87.05584	0.8
89.03937	0.2
91.05471	7.9
95.04984	0.3
95.06071	0.5
97.04005	0.2
97.07642	0.9
98.06051	0.8
103.05451	1.1
105.03432	0.5
105.07054	0.4
106.06533	0.8
107.04941	3.2
109.02907	0.3
109.07632	0.6
111.04334	0.8
112.07614	0.5
115.04992	2.1
115.08686	1.3
116.04928	0.3
117.05763	0.6
118.06528	15.7
119.04925	2.0
119.07343	1.3
120.08096	4.0
121.02898	0.3
121.06538	0.5
122.06064	0.5
123.04430	1.0
125.07083	1.9
130.06538	1.1
131.04890	0.6
132.04436	0.3
132.08087	0.8
133.02869	0.4
133.06474	0.3
134.06000	5.8
135.04448	0.4
135.06819	0.3
136.07574	7.9
136.08667	0.7
137.06059	0.3
137.07076	9.1
138.07895	1.9
139.08646	1.6
141.10176	0.4
144.08075	0.8
146.05994	32.0
147.04414	0.7
147.06343	0.3
148.07610	1.1
149.07114	0.4
149.24422	0.2
150.07890	0.6
151.08693	0.4
152.08171	2.3
153.01808	2.3
153.08951	6.2
155.08199	0.5
157.09708	22.3
158.05998	0.3
158.09967	0.5
159.06818	0.4
159.09143	0.5
160.03920	0.3
160.07552	1.2
161.05920	0.3
162.05487	5.4
162.06754	0.4
163.03902	0.3
164.07065	1.6
164.08250	0.3
165.05519	0.8
165.09009	0.5
166.09741	0.4
167.07054	0.3
167.08186	1.5
168.09001	1.4
168.22536	0.3
172.11194	2.5
174.05522	0.9
176.07147	0.8
177.05531	0.3
178.08617	0.4
179.08557	0.3
182.08072	1.2
182.09572	0.3
183.07692	0.3
184.10832	0.6
185.09203	9.9
187.08694	0.9
187.12251	1.2
188.07079	1.1
190.05148	0.3
190.12270	0.5
194.09216	0.5
195.08026	0.5
197.07239	0.4
197.10768	1.3
198.09087	0.4
199.12260	1.2
202.12111	0.3
203.08186	0.5
204.06610	1.0
204.13768	0.5
205.09673	2.0
207.08080	0.9
212.08487	0.3
212.11893	0.4
213.06842	0.3
213.10284	0.7
214.13449	0.3
215.08115	3.3
215.11838	0.7
216.12589	0.4
217.13354	1.9
220.13327	1.5
221.09213	1.1
222.09219	0.7
223.10724	2.1
224.10356	1.8
225.10240	1.5
226.13419	0.8
231.07695	1.0
231.11243	0.3
232.06041	0.7
233.09192	14.6
234.09200	0.7
236.10785	0.9
239.11856	0.3
240.11281	0.5
241.09698	0.3
243.11310	1.4
247.14449	1.3
248.12804	1.9
249.08665	5.0
249.11092	0.3
252.10336	0.3
254.12840	1.7
256.14459	1.3
258.12378	2.8
261.12512	0.3
262.08762	0.3
266.12933	0.7
268.14554	0.9
272.10303	0.3
275.06903	0.4
275.13870	7.4
276.10074	0.3
276.14374	0.2
282.12384	1.7
284.13965	1.1
286.10785	3.1
286.15475	7.7
287.16003	0.4
294.12430	1.7
295.16635	1.0
300.13388	6.0
301.14041	0.5
304.16629	0.4
311.13995	0.5
312.13354	3.6
316.16357	0.3
320.16467	0.3
321.14423	2.2
330.14450	46.4
331.14893	1.5
337.11829	0.5
337.19138	0.3
344.15985	0.4
349.11600	0.6
350.15051	0.4
362.16949	2.6
366.14542	0.6
376.13107	0.7
388.15106	0.8
394.13904	0.8
399.19308	3.4
417.17679	0.3
456.21243	0.4
464.18167	1.1
479.22873	0.4
507.22720	0.9
525.23627	0.6
534.23676	0.7
543.24567	0.7
552.24487	5.3
560.21808	0.6
577.26349	0.8
578.22559	2.8
659.21948	0.3
670.28387	0.5
688.29755	3.3
691.30780	1.2
758.34015	1.8
785.34888	2.5
854.36658	0.5
872.38147	17.7
873.38141	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	2.2
65.03928	0.8
67.05502	20.8
68.76975	0.5
69.03422	1.2
69.07062	6.1
70.62691	1.1
70.63084	1.3
71.04980	2.5
73.02938	1.2
79.05059	1.0
79.05488	15.3
81.03413	33.2
81.07050	25.9
83.04960	3.0
83.08617	11.2
85.02898	3.7
85.06530	1.4
91.03928	1.3
91.05476	11.6
93.07036	19.0
95.04955	11.7
95.08603	6.6
97.02861	2.2
97.06533	3.6
97.10164	2.0
98.20656	0.7
99.08076	1.3
105.07029	8.9
107.04942	3.2
107.08592	10.9
108.78378	0.6
109.02828	0.9
109.06524	2.3
109.10163	1.9
111.08067	4.8
111.11662	0.5
115.05455	1.2
117.07003	3.8
117.07710	0.6
119.04916	0.6
119.08550	6.9
121.06503	1.5
121.10139	7.3
123.04451	1.3
123.08067	1.2
123.11721	0.9
125.09647	1.5
129.06985	4.0
131.08540	6.1
133.06480	1.4
133.10120	5.1
135.08043	0.9
135.11705	3.0
137.05951	0.7
137.09613	1.1
137.57635	0.6
141.06984	0.7
145.10109	1.4
147.04376	0.8
147.08041	1.7
147.11668	4.0
149.09599	3.0
149.13257	8.3
151.11134	0.7
157.10103	4.7
159.11665	4.1
163.11133	0.9
165.12741	1.0
167.07013	0.8
175.11148	4.1
177.05536	0.9
177.12718	1.9
193.12238	9.7
194.59492	0.6
195.13766	4.1
197.13303	0.6
211.13403	1.8
231.13602	0.6
249.14935	0.8
267.15903	36.8
268.16339	1.2
269.17471	27.8
340.99414	0.7
369.24228	1.5
435.27521	3.4
443.27875	3.3
461.28970	100.0
462.29120	3.6
479.29868	2.1
503.30075	2.4
511.32129	1.7
545.02106	0.6
557.31085	0.9
569.30969	1.4
587.32074	2.6
605.33063	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	17.8
65.03940	2.5
67.05499	52.5
69.03426	12.7
69.07061	14.3
70.06583	0.9
71.01350	2.4
71.04985	7.4
71.58846	0.8
71.59319	1.2
73.02911	10.7
77.03924	1.3
79.05486	52.1
80.06251	1.2
81.03410	100.0
81.07050	47.3
82.04195	5.4
83.01328	1.1
83.04973	30.9
83.08611	39.4
84.02119	0.8
84.05753	1.2
85.02898	48.2
85.06519	3.8
87.04487	1.2
91.03951	11.2
91.05470	53.2
93.07036	35.8
94.04147	1.0
94.07835	1.7
95.04959	47.1
95.08598	17.7
96.05776	1.2
97.02885	19.6
97.06519	11.6
97.10164	20.2
98.07310	6.6
99.04453	3.4
99.08095	3.0
103.03937	0.9
103.05488	1.3
105.04530	0.9
105.07020	32.2
107.04948	15.6
107.08579	19.0
109.02879	1.8
109.06524	9.4
109.10140	16.1
111.04423	5.4
111.08073	18.7
113.05330	0.8
113.06002	4.4
115.03899	1.4
115.05454	2.8
116.04694	14.3
116.06206	0.6
117.05512	2.0
117.07008	5.6
119.04965	1.9
119.08568	29.6
121.06504	5.2
121.10126	15.2
122.43581	0.7
123.04398	2.1
123.08050	8.6
123.11716	2.9
125.05981	1.5
125.09615	18.9
127.03921	4.4
127.07519	1.0
127.11209	2.7
128.06259	0.9
129.05470	37.2
129.06952	15.6
131.04913	1.1
131.08551	19.5
133.06476	5.4
133.10114	21.4
134.09746	0.8
135.04375	0.8
135.08060	5.0
135.11658	6.6
136.08821	1.5
137.05972	1.3
137.09613	5.5
139.03926	1.0
139.07529	0.9
142.07817	3.4
143.07019	7.4
143.08548	0.9
143.10683	2.3
145.04932	4.3
145.06500	1.8
145.10104	6.9
147.04410	2.8
147.08060	5.6
147.11676	24.3
149.05994	1.0
149.09613	11.1
151.11244	1.2
153.01880	2.1
153.09155	1.7
153.12729	3.7
155.08575	1.4
157.08618	16.8
157.10141	19.5
158.05733	3.4
163.06050	3.8
163.07368	0.8
163.11159	11.8
164.11972	0.8
165.12701	4.9
167.07027	3.8
171.06525	4.1
171.10162	5.8
173.09598	2.8
173.11780	4.4
173.13081	1.0
174.10349	0.7
174.29306	0.8
175.07593	0.7
175.11165	24.5
181.05014	1.1
181.12254	4.6
183.13872	0.9
185.08191	1.9
189.11185	10.8
191.10732	4.5
192.11540	1.3
193.12225	76.3
195.43523	0.8
199.09616	2.0
199.11394	1.1
199.13280	19.2
200.14090	3.3
201.14832	1.3
209.11720	11.0
210.12569	1.4
211.13271	95.7
217.14279	1.0
217.19566	0.8
219.13861	1.0
227.12764	20.5
228.13368	1.0
229.14326	4.7
247.13287	5.0
249.14877	2.4
255.15775	3.5
265.14334	2.2
267.15894	32.0
283.15332	17.0
283.18582	1.5
284.15768	1.0
285.16937	70.4
301.16431	60.0
321.17087	2.5
330.45624	0.8
339.18045	3.2
367.21411	0.8
383.22287	1.6
391.24994	1.3
409.25812	8.7
421.25879	1.8
427.26849	10.6
439.26877	29.7
459.27267	4.2
475.26926	6.1
476.27518	4.6
477.28394	5.0
493.27942	21.0
494.28745	7.5
511.28979	77.1
512.29419	2.1
655.33203	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	0.7
63.02388	0.4
65.03933	1.5
67.01879	0.6
67.05503	1.1
67.24716	0.3
68.99777	7.0
69.03061	0.5
69.03411	3.7
69.90276	2.1
71.04985	0.8
73.02908	1.0
77.03908	0.7
79.05482	1.0
81.03417	4.6
83.01325	0.4
83.04961	1.4
85.02896	10.4
89.03909	1.7
89.69070	0.3
91.05464	1.0
91.53758	0.3
93.03397	0.9
95.04951	2.4
97.02888	3.0
99.04449	2.0
101.02384	0.4
101.25231	0.3
103.05462	0.9
104.10777	0.5
105.03369	0.9
107.04946	6.5
109.02872	5.0
111.00794	6.5
111.04431	9.3
112.04729	0.4
115.03976	0.4
115.05451	1.1
116.98622	0.4
117.03344	1.1
119.01893	0.8
119.04926	2.9
121.02872	1.8
123.04414	62.3
124.04755	0.8
127.03902	100.0
128.04239	1.3
129.06981	0.6
131.01817	0.5
131.04904	2.7
133.06494	0.7
135.04402	52.8
136.04716	0.8
137.02304	4.9
137.05992	0.6
139.03886	49.5
141.06985	1.1
143.01949	1.0
143.04909	1.6
145.02757	0.6
145.04985	2.6
145.06453	1.3
147.04399	9.5
149.02327	6.6
149.05960	1.9
150.03050	0.8
151.03888	17.4
153.01804	2.1
153.05579	0.4
153.06976	0.6
155.03522	0.5
155.04897	1.4
157.06421	1.1
159.04419	3.6
161.03062	2.8
161.05946	3.9
163.03883	54.7
164.04329	1.1
165.01816	1.0
165.05469	4.6
166.10818	0.4
167.02005	0.3
167.03401	6.7
169.04944	2.1
169.06444	1.7
171.04387	0.6
171.08090	0.5
172.36356	0.4
173.03014	2.1
173.05963	4.5
174.04460	0.9
175.03883	3.8
175.07545	0.4
177.05453	6.2
179.03381	8.1
179.06989	0.5
181.04939	1.5
181.06465	0.9
183.04764	2.3
185.02957	1.8
185.06053	1.8
187.03854	8.1
187.07491	0.9
189.05415	3.1
191.03369	9.9
191.07068	0.4
192.05504	0.9
193.01372	0.8
193.04918	2.1
197.03004	0.8
197.05991	3.8
199.04005	0.6
201.00630	0.5
201.05455	8.0
203.03381	13.2
203.06953	2.2
205.04965	3.3
207.02821	1.1
207.06494	1.4
209.67418	0.4
211.03877	1.0
212.56924	0.4
213.05432	2.7
215.03447	3.2
215.06946	3.6
216.04170	0.5
217.04956	2.8
219.01549	0.5
219.06459	0.8
221.00804	0.9
221.04642	1.2
223.02324	1.7
225.05565	2.0
227.03716	0.7
227.07001	1.1
228.04248	0.4
229.04938	9.5
231.02818	1.3
231.06461	3.5
233.04478	5.1
235.02356	1.3
237.03056	0.4
237.05469	1.4
239.07040	0.8
241.04968	2.7
243.06508	5.1
244.03683	0.6
245.04463	48.6
246.05074	1.3
247.06007	43.7
248.06258	1.1
251.05383	1.2
253.04927	2.1
255.06390	3.3
257.04431	15.2
258.05142	2.0
259.02194	0.8
259.05966	11.4
261.03162	0.4
261.07474	3.3
263.05804	3.8
264.07547	1.6
265.04871	1.1
267.06458	1.1
269.04440	5.4
270.04764	0.5
271.05978	24.3
272.06348	0.9
273.03958	0.8
273.08057	11.0
273.58258	1.8
274.04651	1.4
275.05460	12.8
276.05914	0.5
277.03253	2.1
279.06418	0.5
281.04449	2.3
283.05994	9.4
285.03909	2.1
285.07465	1.7
286.04578	0.6
287.05466	21.1
288.05698	0.7
289.07028	36.5
290.07294	0.9
291.08609	17.0
292.08673	0.6
293.04425	0.5
293.07684	0.5
295.05884	2.6
297.03851	2.5
297.07507	1.1
299.05499	6.1
301.07016	12.3
303.01672	2.4
303.05127	1.1
303.08417	2.3
305.07294	0.8
307.05856	1.0
309.03827	2.5
309.07501	0.9
311.05566	2.5
313.07059	2.5
321.07486	0.5
323.05484	2.6
325.07007	0.5
327.04749	0.6
329.06714	0.6
331.08289	2.0
333.07190	0.6
333.09952	0.6
335.05042	0.5
339.05023	0.5
341.06250	0.4
345.07428	0.5
347.05344	0.4
349.07031	0.7
351.04977	2.9
353.09103	1.1
354.10794	17.2
354.60980	4.1
361.06952	1.0
363.08664	0.8
365.06339	1.6
365.09683	1.1
367.08109	0.9
373.06650	0.9
377.06772	1.9
379.08145	3.9
381.09454	0.7
383.07495	3.8
389.06332	1.7
391.08081	2.2
393.05853	5.6
393.10321	0.5
395.07443	2.5
397.09183	4.6
401.06418	0.7
403.08197	0.6
405.05728	3.7
406.07114	0.4
407.07556	13.9
408.07983	0.5
409.09140	23.6
410.09656	0.6
411.10709	4.3
415.09555	0.6
417.05823	0.5
419.07715	3.1
421.09253	3.5
425.08508	8.9
427.10229	16.3
431.07257	0.6
433.09070	2.3
435.10754	1.4
437.08588	6.2
439.10217	2.9
449.08530	2.5
451.10086	6.3
453.11905	2.5
469.11139	0.8
517.11273	3.1
525.10693	0.5
527.10052	2.6
529.11310	0.7
531.12677	0.7
535.12524	2.2
541.10999	1.5
545.10681	6.2
551.08099	0.5
557.10730	0.9
559.11816	1.4
561.13824	0.8
563.11591	0.7
571.12006	1.6
577.13654	2.3
579.14960	6.9
589.12823	1.6
679.14282	1.8
697.05359	0.4
697.15527	4.6
699.16266	0.9
713.58038	0.4
715.15692	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
63.28191	0.4
65.03929	2.5
67.01836	0.6
67.05509	1.0
68.99776	8.5
70.54111	0.6
70.54496	0.7
71.87427	0.5
73.38300	0.4
77.03907	0.7
79.05473	1.3
81.03407	4.0
81.07026	0.5
83.04984	1.1
85.02899	1.6
89.03925	2.0
91.05456	1.0
93.03391	1.6
95.04955	2.5
97.02882	0.8
99.04450	1.5
103.05447	0.6
105.03339	0.9
107.01303	0.7
107.04948	6.2
109.02883	4.0
111.00789	7.9
111.04427	12.3
115.05449	1.0
117.03387	1.7
117.07034	0.5
119.04929	2.9
121.02881	1.6
123.03706	1.3
123.04414	69.4
127.03901	100.0
129.07001	0.9
131.04922	2.8
135.04401	66.6
137.02325	6.1
137.06001	1.0
139.03883	59.3
141.06978	1.0
143.04916	1.2
145.02856	1.5
145.06487	1.7
147.04382	8.4
149.02315	7.9
149.05951	3.1
150.03114	0.6
151.03886	20.8
153.01849	0.8
153.05463	1.0
153.06964	0.8
155.04897	1.7
157.06435	2.1
159.04396	5.3
161.02338	1.3
161.05951	5.4
163.03888	63.8
164.04489	0.5
165.01848	1.3
165.05467	5.4
167.03374	6.4
167.04718	0.7
169.04948	2.2
169.06477	2.6
171.04378	0.6
173.05956	4.7
175.03900	3.0
175.07635	0.6
177.05455	7.5
179.03372	10.3
181.04942	2.1
181.06401	0.8
183.04404	2.5
183.08009	0.5
185.05952	2.3
187.03874	9.1
187.07547	1.0
189.05458	3.6
191.03369	10.7
193.04976	2.2
197.05971	4.7
199.03844	0.7
201.05450	11.1
203.03371	14.4
203.06947	3.0
205.04913	3.3
207.02953	0.9
207.06546	1.2
211.03853	0.7
213.05418	3.6
215.03459	3.3
215.06969	3.2
217.04991	2.4
219.06526	1.2
221.04375	0.8
223.02348	2.4
225.05394	2.3
226.06236	0.7
227.07062	1.2
229.04941	12.6
231.02859	1.2
231.06473	4.8
233.04390	5.1
235.02335	0.9
237.05402	0.8
241.04977	2.8
242.05833	0.6
243.02776	0.6
243.06471	5.9
244.03621	0.7
245.04427	61.4
246.04800	0.7
247.05994	55.4
248.06221	0.6
251.05571	1.3
253.04892	3.6
254.05698	0.5
255.06473	3.0
257.04422	17.3
258.05118	1.8
259.05997	14.5
261.03766	0.6
261.04752	0.5
261.07593	5.0
263.05466	1.3
265.04971	1.1
267.06467	1.2
269.04437	6.4
271.05972	29.4
273.03983	0.7
273.07526	2.5
274.04648	3.1
275.05417	22.4
277.03394	1.1
279.06540	1.0
281.04343	2.9
283.05966	8.9
285.03946	2.3
285.07574	2.0
286.04654	0.9
287.05444	23.0
289.07037	43.4
290.07306	0.7
291.08624	21.3
295.05963	3.4
297.03922	3.2
297.07449	1.1
299.05481	6.5
301.07022	14.4
303.01315	0.6
303.05215	0.8
303.08606	2.6
307.05936	1.8
309.03885	3.3
309.07275	0.7
311.05423	2.2
313.07013	3.0
319.06015	0.5
321.04074	0.5
321.07535	0.9
323.05457	3.5
325.06982	0.8
329.06442	0.5
331.08078	1.8
333.10074	0.7
335.05463	1.2
337.07050	0.7
339.04987	0.7
341.06589	0.6
347.05615	0.7
349.07043	1.1
351.04984	4.0
353.06369	0.5
361.06961	2.1
363.04742	0.7
363.08636	1.7
365.06494	3.2
367.08087	1.1
373.07150	0.6
377.06516	1.9
379.08017	4.0
383.07581	4.6
389.06421	1.9
391.07980	3.2
393.05841	6.0
395.07434	2.4
396.08429	0.7
397.09113	6.2
401.06555	0.6
403.07974	0.7
405.05869	3.8
407.07587	20.5
409.09149	27.0
411.10767	4.2
415.10266	0.6
417.05988	1.3
419.07452	5.3
421.09027	4.0
425.08615	10.6
427.10220	19.1
431.07361	0.9
433.09155	2.9
435.10623	1.6
437.08640	9.3
439.09995	3.7
449.08615	2.6
451.10172	6.1
453.11887	2.2
469.11539	1.1
517.11200	4.6
523.71912	0.5
527.09875	3.3
529.11090	0.8
535.12585	2.6
541.11108	1.7
543.12402	0.5
545.10602	8.4
553.10785	0.7
557.10095	0.7
559.12323	1.6
561.13531	1.5
571.11926	1.6
577.13354	4.0
579.14911	8.0
589.13220	1.7
679.14368	2.5
697.15375	6.1
715.17114	2.2
861.13251	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	2.2
67.01862	0.9
67.05476	0.4
68.99778	7.4
69.00112	0.5
69.49007	2.4
69.49414	0.6
72.38152	0.4
77.03930	0.7
79.05492	1.3
81.03409	3.6
82.71394	0.3
83.04988	0.5
89.03915	1.5
89.30308	0.4
91.05489	1.1
93.03394	0.7
95.01293	0.4
95.04961	2.1
97.02881	0.5
98.20773	0.9
99.04449	1.6
99.66637	0.3
103.05453	0.9
104.00837	0.3
104.57608	0.4
105.03385	1.0
107.04942	5.7
109.02881	4.7
111.00803	5.8
111.04433	8.0
115.05447	0.9
117.03367	1.1
119.04939	1.9
121.02880	2.1
123.04417	51.0
124.04770	0.6
127.03904	100.0
128.04233	0.6
129.07011	0.6
131.04913	3.2
133.02922	0.5
133.06528	0.4
135.04404	53.2
136.04770	0.7
137.02321	5.4
137.05989	1.0
139.03886	43.8
140.04230	0.4
141.06958	1.1
143.04901	1.5
145.02864	1.2
145.06450	1.1
147.04385	6.5
149.02322	6.7
149.05957	2.2
151.03894	13.4
153.01820	0.9
153.05460	0.8
153.06937	0.6
155.04918	1.7
157.06468	1.4
159.04411	3.9
161.02333	1.8
161.05966	4.2
163.03891	51.2
164.04391	0.8
165.01859	0.5
165.05466	4.3
167.03397	5.4
167.04747	0.7
169.04988	1.6
169.06522	1.9
173.02457	0.6
173.05991	5.2
173.53183	0.4
175.03853	2.8
175.07474	0.6
177.05482	5.9
179.03381	9.8
179.04915	0.7
181.04955	1.4
181.06480	1.1
183.04454	1.8
185.05891	1.8
187.03879	9.2
187.05464	0.4
187.07555	0.7
189.05455	3.1
191.03386	9.5
191.06999	0.7
193.04953	2.2
197.05963	4.4
199.04063	0.6
199.07492	0.5
200.04666	0.4
201.05441	7.6
203.03377	13.7
203.07010	2.3
205.04895	3.0
205.06499	0.4
207.02873	1.6
207.06425	0.9
211.03920	0.9
211.07608	0.5
213.05428	2.8
215.03421	2.2
215.06999	3.2
217.04924	2.9
219.02887	0.4
219.06526	0.9
223.02371	1.5
225.05482	2.7
226.06210	0.7
227.03404	0.7
227.07018	1.1
229.04936	10.5
230.05623	0.6
231.02960	1.2
231.06433	2.5
233.04399	4.4
235.02153	0.6
237.05457	1.0
239.03664	0.4
239.06799	0.6
241.04875	2.8
242.05588	0.5
243.02832	0.9
243.06488	5.5
245.04434	33.6
246.04758	0.6
247.06001	46.4
248.06279	1.0
251.05412	0.7
253.04955	2.8
255.06451	2.8
257.04434	14.3
258.05145	1.5
259.05991	13.3
260.06284	0.4
261.07465	1.8
263.05542	1.5
265.04901	1.0
267.06516	1.3
269.04456	5.6
269.07324	0.7
271.05981	23.3
272.06302	0.5
273.04706	0.4
273.07437	2.0
274.04660	1.4
275.05463	13.0
277.05057	0.4
279.06540	1.2
281.04471	3.0
281.07162	0.5
283.05994	8.5
285.03946	1.2
285.07599	1.1
287.02200	0.5
287.05472	18.8
289.07037	32.3
290.07343	0.7
291.08612	17.4
293.04306	0.7
295.05942	2.9
297.03928	2.8
297.07248	0.7
299.05472	5.8
301.07040	14.0
303.05362	0.6
303.08609	2.9
307.05957	1.4
309.04102	3.3
309.07416	0.8
311.05545	1.8
313.07111	2.3
317.07578	0.4
321.04059	0.5
321.07755	0.5
323.05478	3.1
323.08841	0.6
325.06943	0.7
331.08066	1.6
333.10248	0.5
335.05453	1.0
337.07144	0.8
341.06580	0.7
345.07397	0.6
349.06863	0.7
351.04935	4.6
351.08960	0.6
353.06442	0.4
361.07205	0.9
363.08615	0.9
365.06525	3.6
367.07993	1.1
373.07114	0.5
376.05750	0.5
377.06461	1.6
379.08145	2.8
381.09705	0.7
383.07602	6.8
389.06567	1.6
391.08160	2.7
393.05954	6.4
395.07797	2.6
396.08640	0.4
397.09262	3.2
403.08032	0.7
405.05737	3.5
407.07568	11.1
407.12582	0.8
409.09161	24.9
410.09216	0.6
411.10751	3.7
415.10062	0.4
417.05533	0.6
419.07581	2.8
421.09134	3.5
423.11017	0.7
425.08627	8.8
427.10233	17.3
428.10663	0.5
431.07709	0.6
433.09055	1.6
435.10614	1.1
437.08643	4.6
439.10410	3.0
449.08591	1.6
451.10242	4.0
453.11804	2.6
469.11887	0.6
517.11255	5.7
527.09723	3.4
535.12140	2.7
541.11041	1.0
545.10779	9.4
557.10718	1.0
559.12122	1.0
561.13708	1.1
571.12183	1.3
577.12897	2.2
579.14941	5.5
589.13062	1.2
679.14465	2.1
697.15338	5.7
699.16425	1.2
715.16339	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02384	0.4
65.03925	2.2
67.01857	0.9
67.05495	1.2
68.99780	7.9
69.03416	1.0
69.31932	3.3
71.01331	0.4
76.03156	0.3
77.03928	0.9
79.05474	1.0
81.03413	3.8
83.04967	1.0
85.02902	1.3
89.03905	1.9
91.05470	0.9
92.04940	0.3
93.03400	0.9
94.80837	0.3
95.04969	2.1
97.02849	0.4
99.04458	1.3
103.05460	0.9
105.03381	1.3
107.01254	0.4
107.04941	5.4
109.02847	3.8
111.00796	7.7
111.04430	8.5
115.05473	1.0
117.03361	1.2
117.06960	0.6
119.04930	2.2
121.02882	2.1
123.04412	62.8
124.04729	0.5
126.09164	0.6
127.03900	100.0
128.04196	0.5
129.06960	0.7
131.04903	3.7
133.02882	0.4
135.04399	57.8
137.02315	4.3
137.05978	0.8
139.03882	50.8
141.01810	0.5
141.06982	1.3
143.04907	1.5
145.02821	1.2
145.06482	1.4
147.04384	7.3
149.02318	7.0
149.05980	2.2
150.03113	0.6
151.03883	13.6
151.05110	0.7
152.07094	1.5
153.01790	0.8
153.05437	0.7
153.06975	0.6
155.04866	1.6
157.06491	1.0
159.04404	4.7
161.02376	0.8
161.05957	4.3
162.03015	0.3
163.03886	53.9
164.04330	0.5
165.01820	0.9
165.05447	4.9
166.04982	3.7
167.03398	5.9
167.04774	0.4
169.04958	2.2
169.06465	2.7
171.04462	0.6
173.02153	0.3
173.05966	5.8
175.03897	3.4
175.07483	0.4
177.01935	0.3
177.05452	7.3
179.03378	8.6
179.06949	0.6
181.04910	1.6
181.06506	1.0
182.04488	0.5
183.04347	1.9
185.05904	2.1
187.03839	8.4
187.07483	1.1
189.05464	3.2
191.01634	0.5
191.03365	11.0
191.07028	0.6
193.04955	2.6
197.04282	0.6
197.05942	4.7
199.03888	0.6
199.07440	0.6
200.04692	0.5
201.05461	8.9
203.03368	12.9
203.06978	3.0
205.04898	3.3
207.02899	0.8
207.06488	1.6
209.05891	0.7
211.03934	0.5
213.05392	3.7
215.03407	3.3
215.06946	4.0
217.04944	2.4
219.06358	1.5
221.06062	0.7
223.02248	1.6
225.05370	2.8
227.03452	0.7
227.07042	1.1
229.01430	0.5
229.04935	12.1
231.02989	1.7
231.06430	2.9
233.04405	4.3
235.02335	0.5
237.05432	1.4
239.06946	0.4
241.00832	0.4
241.04916	3.5
243.02724	0.9
243.06488	5.7
244.03572	0.5
245.04420	50.4
246.04829	0.7
247.05986	45.9
251.05437	1.1
253.04916	2.9
255.02740	0.4
255.06491	3.5
257.04431	14.2
258.05209	1.1
259.02390	1.0
259.05975	9.8
261.07550	2.3
263.05145	1.6
265.05026	2.0
267.06464	1.1
269.04391	4.6
270.05157	0.6
271.05978	25.4
272.06470	0.4
273.03992	1.0
273.07541	2.0
274.04623	2.5
275.05447	17.7
277.03174	2.5
279.06537	0.8
281.04340	1.5
281.07602	0.3
283.05966	11.9
283.10641	3.2
284.06451	0.7
285.03891	1.8
285.07529	1.4
286.04712	0.7
287.02173	0.6
287.05453	19.8
289.07022	27.7
291.08597	18.8
293.04453	0.9
293.07898	0.5
295.05978	2.6
297.03833	2.2
297.07510	1.1
299.05447	5.3
301.07013	10.6
301.11853	1.3
303.01431	2.5
303.04871	0.7
303.08707	2.1
304.01633	0.7
307.05948	1.4
309.03867	2.5
309.07217	0.5
311.05429	2.1
313.06995	2.1
315.08572	0.4
317.07947	0.4
319.06152	0.7
319.12823	8.9
319.16562	0.4
321.03946	0.7
321.07635	0.6
323.05502	3.2
323.09146	0.5
325.07187	0.3
327.04813	0.5
329.06390	0.5
331.08209	1.8
335.05411	0.8
337.07074	0.5
339.04916	0.5
339.08630	0.5
345.07367	0.4
347.05646	0.5
349.06992	1.0
351.04898	3.2
353.06277	0.5
361.07114	2.2
363.04739	0.6
363.08661	0.7
365.06519	1.9
367.08276	0.4
375.04858	0.5
377.06522	1.7
379.08115	3.1
381.09558	0.4
383.07571	2.6
389.06439	1.7
391.08063	2.5
393.05881	4.4
395.07578	1.8
397.09149	5.7
401.06512	0.6
403.07684	0.5
405.05881	3.5
407.07562	15.6
409.09131	22.5
411.10699	3.6
417.05869	0.7
419.07574	3.5
421.09125	2.5
423.10910	0.5
425.08578	7.7
426.08740	0.3
427.10208	14.4
428.10416	0.5
431.07385	0.6
433.09018	1.8
435.10663	1.1
437.08606	6.7
439.10226	2.0
449.08850	1.8
451.10162	4.4
453.11783	1.6
469.11398	0.4
481.17838	0.3
517.11060	2.6
527.09656	2.5
529.11359	0.7
535.12396	1.8
541.11072	0.8
545.10681	5.2
553.11511	0.5
557.10449	1.1
559.12219	1.6
561.13690	0.6
571.12067	1.2
577.13336	2.3
579.14948	7.1
589.12817	1.0
679.13837	1.4
697.15479	3.4
699.16516	0.4
715.16144	1.7
838.02051	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	2.0
67.01858	0.7
67.05487	1.0
68.99780	8.7
69.00121	0.8
70.18860	0.5
71.59641	0.6
77.03922	0.7
79.05493	1.1
81.03415	3.7
83.04972	0.9
85.02908	1.3
89.03897	2.5
91.05512	1.1
93.03408	1.0
95.04956	2.9
99.04456	1.0
103.05473	0.7
105.03391	0.9
107.04947	6.3
109.02868	3.4
111.00802	8.9
111.04433	10.4
115.05453	1.0
117.03387	1.4
117.07050	0.5
119.04940	3.4
121.02876	2.3
123.04418	67.7
124.04794	0.7
127.03906	100.0
128.04236	1.5
129.07022	0.7
131.04910	2.9
135.04405	65.6
136.04735	0.6
137.02344	5.2
137.05940	1.4
139.03891	51.6
140.04236	0.7
141.06976	1.5
143.04906	1.0
145.02844	1.0
145.06465	1.9
147.04395	8.6
149.02321	7.2
149.05954	2.2
151.03899	15.8
153.01819	0.7
153.05405	0.6
153.06978	0.6
155.04886	1.7
157.06459	1.5
159.04399	4.4
161.02362	1.1
161.05965	4.4
163.03891	67.5
164.04456	1.3
165.01852	1.2
165.05472	4.4
167.03427	5.6
169.04959	3.4
169.06470	1.9
173.05942	5.6
175.03883	3.6
177.05457	7.5
179.03384	9.6
179.06815	0.5
181.04974	0.8
181.06453	1.3
183.04404	2.3
185.05986	2.3
187.03885	8.3
187.07539	0.9
189.01770	1.0
189.05455	3.6
191.03366	11.1
191.07013	0.8
193.04921	2.3
197.05965	5.2
199.07620	0.7
201.05457	9.4
203.01466	0.7
203.03375	13.5
203.06998	2.6
204.13968	0.5
205.04897	3.9
207.02853	1.1
207.06494	1.3
209.06088	0.8
211.03851	0.7
213.05435	3.9
215.03404	3.8
215.06937	3.3
217.04991	3.1
219.02890	0.6
219.06450	1.0
221.04370	0.8
223.02345	1.7
225.05382	2.9
227.03479	0.7
227.07013	1.2
229.04948	12.6
230.05415	0.9
231.02859	0.8
231.06508	3.9
233.04408	4.9
235.02165	0.7
237.05444	1.5
239.07062	0.7
241.04898	3.5
243.02776	0.9
243.06506	6.6
244.03670	0.7
245.04436	68.1
246.04825	2.2
247.05998	50.9
248.06369	0.9
251.05399	1.0
253.04889	2.7
255.06548	3.7
257.01749	0.9
257.04428	16.2
258.05167	1.9
259.06009	10.1
261.07553	3.2
261.90399	0.7
263.05490	1.4
265.04910	1.6
266.05603	0.5
267.06516	1.0
269.04395	4.7
270.05106	1.0
271.05984	25.9
272.06354	1.0
273.03882	0.7
273.07474	1.9
274.04715	3.4
275.05453	21.4
277.03262	0.9
279.06470	0.8
281.04358	1.7
283.05972	12.7
285.03867	2.3
285.07562	1.8
286.04568	1.5
287.05466	19.8
288.05640	0.7
289.07034	34.7
290.07202	1.1
291.08624	16.9
293.07959	0.5
295.05899	2.2
297.03848	2.2
297.07510	1.4
299.05447	5.1
301.07043	12.6
303.01416	1.0
303.05063	1.3
303.08524	2.5
305.04312	0.6
307.02368	0.6
307.05859	1.3
309.03961	2.7
311.05536	3.1
313.07050	1.9
319.06137	0.9
321.07455	0.9
323.05539	3.2
323.08923	0.6
331.08029	2.1
333.07376	1.1
335.05435	1.0
337.06946	0.6
341.06516	0.9
345.07523	0.5
351.04974	2.9
361.06891	1.3
363.04633	0.8
363.08698	1.0
365.06470	2.0
367.08127	0.6
373.07047	0.6
377.06506	1.7
379.08066	4.6
383.07813	3.1
389.06442	2.0
391.07883	2.4
393.05978	4.4
395.07480	1.6
396.08234	0.8
397.09152	7.8
405.05725	4.1
407.07541	23.4
408.07797	0.9
409.09161	23.7
410.09494	0.9
411.10901	3.5
417.05664	0.6
419.07584	5.4
421.09183	3.4
423.11093	0.9
425.08542	10.0
427.10242	13.6
431.07901	0.7
433.09256	3.1
435.11090	0.8
437.08688	10.3
439.10080	2.1
449.08469	2.7
451.10275	5.8
453.11813	0.9
517.11371	3.0
527.09564	3.3
535.12128	2.2
541.10815	1.7
545.10858	6.0
557.10327	1.3
559.12091	2.5
571.11682	1.4
577.13605	2.8
579.15051	6.9
580.14319	0.8
589.12817	1.0
679.14166	1.7
697.15277	4.0
699.16431	0.6
711.61658	0.5
715.16223	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	4.7
65.03916	1.1
67.05502	28.2
69.03422	0.8
69.07063	9.6
71.04962	2.3
71.08626	12.9
71.61772	0.7
71.62244	0.8
73.02888	2.0
79.05486	10.4
81.03432	0.8
81.07050	36.0
82.64206	0.7
83.04952	1.9
83.08157	0.7
83.08613	11.5
85.02893	8.0
85.06504	2.8
85.10171	7.9
85.30542	0.7
91.03960	4.8
91.05473	5.0
93.07034	22.4
94.80151	0.7
95.04948	2.4
95.08048	1.0
95.08601	15.8
96.56954	0.7
97.02860	2.9
97.06519	4.6
97.07043	0.7
97.10129	2.8
99.08070	1.3
101.79162	0.7
105.07005	2.3
107.08586	12.5
109.06533	0.7
109.10139	5.8
111.08064	2.8
111.11713	1.1
113.09617	0.8
117.07003	2.9
119.08517	1.4
121.10136	8.7
123.08067	0.9
123.11678	2.2
125.09536	1.0
127.03914	0.7
130.05994	0.7
131.08571	4.0
133.10091	2.9
135.11667	4.5
137.13287	1.1
145.04947	2.4
149.13240	17.5
159.11674	5.9
163.06000	2.1
177.12733	2.5
195.13805	6.2
239.23703	1.0
257.24780	0.7
269.17459	90.1
270.17639	1.1
313.27341	49.3
438.63480	0.8
467.28421	0.7
507.40411	100.0
508.41092	1.0
517.84753	0.8
626.73334	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.546
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23437	1.0
61.02922	8.5
67.05172	1.8
67.05502	23.9
69.03412	2.3
69.07058	8.4
69.60684	2.1
69.61095	5.9
71.04985	2.3
71.08277	1.3
71.08631	15.7
73.02909	2.8
79.05495	10.4
81.03397	1.8
81.06578	1.9
81.07051	32.4
83.04958	1.9
83.08622	11.6
85.02494	1.2
85.02906	12.1
85.06522	1.6
85.10181	9.4
91.03962	7.9
91.05471	9.2
93.06477	1.3
93.07037	20.8
95.04974	1.2
95.08601	15.4
96.13537	1.1
97.02864	5.7
97.06513	3.1
97.10151	4.0
97.39185	1.0
99.08157	1.2
105.07014	2.8
107.08589	10.4
108.08047	1.3
109.06490	1.1
109.10159	5.2
111.08085	2.1
111.11680	1.0
117.07002	5.0
120.92236	1.1
121.10122	3.8
123.11694	4.4
127.03864	1.7
131.08537	3.1
133.10114	7.3
135.11653	4.2
137.13232	1.6
145.05003	2.5
149.13268	6.3
151.11214	1.4
159.11679	3.3
163.05986	4.6
177.12701	2.9
195.13797	7.4
232.29372	0.9
239.23694	1.0
251.16324	1.1
257.24704	2.0
269.17468	43.0
313.27353	52.1
385.44272	1.2
507.40421	100.0
508.40497	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	856.5405
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	3.0
65.03931	3.2
67.05501	97.5
69.03426	3.1
69.06716	1.5
69.07064	18.3
69.56901	1.2
69.57299	5.9
71.01347	2.0
71.04982	4.1
71.08639	0.9
72.97866	0.8
73.02912	2.5
79.05489	42.9
81.03424	9.7
81.07050	63.8
83.04972	7.9
83.08609	13.3
84.43891	0.8
85.02897	11.3
85.06538	2.8
87.04459	4.2
91.03941	1.3
91.05476	24.5
93.07040	45.3
95.04975	7.9
95.08598	41.2
96.04483	1.1
97.02882	4.1
97.06520	5.1
97.10160	14.4
99.08054	1.9
105.07024	14.2
107.04962	3.3
107.08590	25.0
109.06525	2.2
109.10147	57.6
110.10477	1.0
111.08081	3.7
117.07015	4.2
119.08573	17.0
121.06476	1.2
121.10141	19.1
123.08076	2.4
123.11699	4.8
125.09611	12.8
129.05487	2.2
129.07019	2.4
131.08554	10.4
133.10129	8.7
135.08063	1.3
135.11697	13.9
137.09586	3.9
137.13268	1.5
139.11188	1.9
143.08560	1.1
143.10655	2.1
145.10118	9.6
145.92238	0.8
147.08069	2.0
147.11687	5.4
149.09642	1.2
149.13199	5.6
151.11214	1.2
153.12753	3.0
155.10660	4.0
157.10181	1.6
159.11642	5.5
161.13269	3.9
163.11165	6.8
163.14841	3.0
171.11682	1.6
173.11740	16.7
173.13268	3.9
175.11157	1.4
175.14799	1.8
179.14429	0.9
181.12225	2.1
182.37563	0.8
185.13242	1.6
187.14799	2.7
189.11201	1.6
190.66872	0.9
191.10683	2.4
193.12263	1.4
199.13278	6.1
199.14885	1.3
201.16286	1.4
209.11734	6.2
211.13263	0.9
217.14333	1.2
222.88173	1.1
227.12724	6.7
229.14334	46.1
230.14587	1.3
243.20992	4.3
245.13885	1.7
257.13751	2.5
261.22110	17.4
267.15848	4.2
277.21518	1.0
283.15402	2.7
293.56699	0.8
301.16464	14.5
315.22922	1.0
317.24835	2.3
335.25769	100.0
336.26184	3.1
399.23755	14.0
415.32047	1.3
477.35773	9.1
489.35721	22.5
490.35748	1.0
527.37476	1.1
543.36853	3.1
561.37787	8.2
579.39276	4.3
597.77692	1.1
659.45129	29.7
660.45886	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	1.8
64.89259	1.2
65.03925	4.7
67.05499	81.4
69.03429	8.3
69.07063	41.0
69.07382	0.7
69.07446	1.2
71.01334	1.4
71.04987	7.3
72.48333	1.1
73.02905	2.6
77.03879	1.1
79.05487	63.2
81.03409	16.9
81.07048	100.0
83.04975	17.3
83.08612	16.3
85.02905	6.3
85.06523	4.2
86.09673	2.2
91.03970	2.0
91.05473	57.2
93.07034	69.8
95.04971	18.2
95.08598	41.4
97.02859	7.9
97.06519	20.1
97.10149	8.6
99.04424	1.7
99.08097	4.9
103.05481	1.2
105.04546	1.7
105.07021	49.1
107.04953	12.3
107.08587	45.8
109.02867	2.6
109.06507	9.1
109.10147	16.5
111.04435	1.5
111.08104	7.9
113.06013	2.2
113.09631	1.4
115.05429	2.2
117.06995	23.2
119.08569	31.4
119.64012	1.1
121.06502	7.9
121.10136	21.8
123.04390	1.3
123.08054	6.3
123.11677	4.5
125.09628	5.0
127.03913	3.3
127.07526	1.1
128.06157	1.8
129.01031	1.2
129.05467	2.1
129.06990	8.8
129.11237	1.1
130.07724	1.6
131.08543	28.6
133.06451	3.7
133.10118	30.2
135.08057	7.1
135.11687	21.4
137.09575	4.2
141.06966	2.9
142.07748	2.8
143.08537	9.0
145.06450	2.1
145.10103	20.6
147.08087	4.0
147.11668	14.2
149.09613	13.6
149.13248	17.2
151.11148	3.0
155.08557	5.0
156.09343	1.3
157.10118	7.7
159.08015	1.6
159.11676	20.7
159.12863	2.1
161.09621	1.8
161.13200	7.4
163.11154	10.6
165.09109	1.5
165.12773	2.3
168.09326	1.6
169.10109	3.6
171.11656	5.5
173.04434	3.3
173.09579	2.5
173.13216	9.2
177.12737	6.8
179.14308	2.6
181.10144	1.5
181.12274	2.8
183.11696	4.0
184.07330	7.6
185.13228	2.8
187.11203	2.0
187.14793	3.6
189.11243	2.5
189.12694	2.8
191.14304	1.5
195.11919	2.1
195.13770	7.1
197.13271	2.6
199.14792	2.7
201.12708	1.4
213.14714	2.4
215.14388	1.7
227.12778	7.7
229.19499	2.3
237.14510	1.2
239.17944	3.6
247.20552	3.1
251.16353	1.8
253.14409	2.8
255.15823	13.9
257.18924	9.2
267.15961	4.6
269.17444	45.0
275.20035	35.1
291.19769	1.3
293.20996	2.4
321.24643	1.4
331.22607	2.5
349.23706	35.2
367.24850	7.9
413.21817	3.5
431.27979	1.4
433.30353	1.8
435.26868	2.2
445.29318	3.2
449.28925	26.8
463.30493	35.7
464.31104	1.3
469.32748	1.4
503.33853	1.5
515.37207	1.5
525.35443	3.9
529.35577	7.4
543.36755	39.0
544.37677	1.8
547.36346	2.3
561.38031	8.4
607.34729	2.0
623.43512	5.6
641.43744	3.0
687.41290	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5403
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	2.8
64.70601	0.9
65.03928	3.3
67.05498	78.4
68.05828	1.3
69.03117	1.2
69.03429	11.0
69.07063	43.9
71.01327	1.4
71.04987	8.0
71.07346	1.0
73.02900	1.9
77.03916	1.9
79.05484	59.1
81.03405	17.3
81.07049	100.0
82.07371	1.5
83.04971	16.9
83.08132	1.4
83.08609	19.3
85.02903	7.7
85.06547	5.4
86.09682	4.0
91.03943	1.5
91.05475	58.2
93.07034	70.6
95.04961	16.3
95.08601	44.8
97.02874	5.8
97.06523	19.6
97.10147	9.6
98.20718	2.3
99.04433	2.4
99.08070	4.8
103.05429	2.3
105.07021	54.1
107.04949	12.7
107.08585	44.8
109.02873	2.2
109.06499	11.0
109.10141	18.0
111.04427	1.9
111.08070	8.3
113.05975	1.0
113.09629	1.9
115.05441	3.6
117.07008	25.0
119.08567	37.2
121.06483	8.8
121.10133	21.2
123.04443	1.0
123.08048	7.5
123.11687	4.9
125.00000	2.2
125.05928	1.1
125.09579	8.0
127.03874	3.3
128.06210	2.3
129.05443	2.8
129.07002	10.5
130.07765	1.4
131.04903	1.4
131.08559	29.8
133.06476	3.3
133.10118	31.6
135.08054	7.5
135.11679	22.7
137.05986	1.2
137.09634	4.9
139.07506	1.2
139.11160	1.7
141.06958	4.6
142.07785	2.3
143.08554	9.6
144.09233	1.1
145.04868	1.8
145.06468	2.8
145.10112	24.1
147.08022	3.9
147.11688	16.2
149.09601	19.9
149.13239	15.5
151.11179	3.4
153.12692	1.0
155.08571	4.5
157.10121	12.7
159.08057	2.4
159.11679	22.1
161.09587	3.1
161.13251	7.8
161.31131	0.9
163.11160	13.7
165.09035	1.5
165.12755	2.9
167.08510	1.2
167.83221	1.0
169.10089	6.0
171.08029	1.2
171.11696	8.8
173.04454	2.7
173.09608	2.5
173.13252	9.7
175.11166	2.5
175.14764	2.3
177.12740	6.0
179.10701	1.1
179.14284	5.2
181.10156	1.9
181.12172	2.9
182.10843	1.1
183.11685	5.4
184.07306	14.7
184.08798	1.8
185.13242	4.3
187.11172	2.3
187.14806	3.5
189.11183	3.8
189.12596	1.7
191.10606	0.9
191.14339	1.3
193.05055	1.0
193.10153	1.3
193.12183	1.3
195.11830	1.8
195.13791	8.3
197.13249	3.7
197.63145	1.0
199.14786	2.6
200.62354	0.9
201.12697	1.8
203.14250	1.2
205.16002	1.0
209.13286	2.0
211.14790	2.4
213.14722	1.7
213.16537	1.1
215.18016	1.8
217.12196	1.0
221.13358	1.3
221.15381	1.1
223.71278	1.0
225.16365	1.4
227.12762	8.3
229.14091	1.4
229.19485	2.9
231.17537	1.0
233.15381	1.4
239.17981	4.4
241.15901	1.3
245.13757	1.3
247.20580	3.7
251.16399	1.3
253.14322	2.2
255.15842	15.6
257.18994	12.3
259.20465	1.3
267.15872	4.1
269.17468	46.1
273.18497	1.4
275.20020	53.6
276.20337	1.3
282.86880	1.1
291.19449	1.3
293.21033	5.6
321.24130	1.9
327.23325	1.1
331.22510	5.6
339.23358	1.2
349.23685	46.1
367.24780	7.2
377.18936	0.9
413.21634	2.7
431.27814	2.8
433.30548	1.6
435.27145	3.6
439.26691	1.1
445.29236	2.6
447.31567	1.0
449.22681	1.2
449.28964	28.8
451.31891	2.5
463.30533	34.2
464.30817	1.5
469.33170	2.1
487.34070	1.3
503.33685	2.0
515.37079	2.6
525.36017	7.2
527.37555	1.7
529.35431	11.7
543.36786	49.2
544.37305	2.3
547.36188	2.2
561.37872	10.2
605.41083	1.2
607.34180	3.6
623.34253	1.0
623.42969	9.2
636.38342	1.0
641.44269	6.8
659.45313	1.7
687.40051	1.7
856.49017	1.7
857.45929	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.5
65.03950	4.8
67.05502	100.0
69.03421	9.7
69.07066	56.7
69.83295	19.6
71.04978	6.2
78.19641	2.7
79.05052	5.4
79.05491	74.0
81.03415	13.8
81.07053	86.6
83.04985	16.4
83.08617	16.6
85.02894	6.3
85.06523	5.3
91.05478	83.3
92.05779	4.2
93.07043	81.2
95.04955	17.8
95.08608	54.1
97.02891	9.6
97.06528	16.9
97.10168	11.0
99.08064	4.4
103.05499	3.8
105.07027	83.3
106.97773	3.3
107.04949	10.2
107.08588	49.2
109.06511	8.0
109.10146	32.6
111.08072	4.5
115.05429	4.4
117.07015	33.8
119.08575	50.5
121.06505	6.1
121.10120	24.2
123.04411	3.0
123.08031	7.6
123.11704	7.7
125.09644	6.5
127.03899	4.1
128.06216	5.1
129.05522	5.7
129.06999	22.1
131.08551	37.4
133.10121	42.8
135.08038	8.2
135.11678	19.6
137.09644	7.8
141.06981	6.5
142.07753	3.9
143.08557	19.5
145.10118	30.4
147.11703	27.5
149.09589	14.1
149.13277	13.6
151.11198	6.7
155.08586	8.4
156.09283	3.3
157.10135	24.4
159.08159	4.4
159.11688	30.8
161.09651	5.2
161.13274	12.7
163.11177	9.5
165.12709	3.8
167.08601	4.3
169.10127	9.7
171.11646	19.3
173.11810	5.1
173.13277	16.2
175.14853	6.0
179.14386	4.4
181.10103	8.5
183.11688	12.1
184.07339	9.1
185.13281	11.7
187.14784	4.7
189.11185	5.2
195.11697	6.0
195.13817	3.8
197.13268	9.7
199.14853	4.6
209.13126	6.8
211.14864	6.5
216.50795	2.9
221.13301	3.4
225.16425	3.3
227.12556	4.2
229.14259	7.3
239.17842	6.8
241.19598	4.1
253.14232	6.4
254.14561	3.4
255.15587	4.0
257.19016	5.2
259.20584	13.3
263.18127	3.8
269.17532	10.0
275.20105	25.3
315.23108	6.1
333.24240	14.6
335.25723	5.1
349.23718	21.6
353.17386	3.3
357.31143	3.0
449.28601	3.1
505.22183	3.6
513.35828	21.6
527.37036	14.8
543.36633	7.1
607.43579	18.6
625.44183	14.2
641.44006	5.5
856.47937	3.3
889.91022	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	854.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	1.5
65.03923	3.1
67.05501	43.0
69.03427	11.7
69.07062	32.4
70.61913	3.2
71.04975	3.8
71.35976	1.0
73.02898	2.2
79.05486	40.3
81.03414	9.8
81.07050	46.8
83.04972	6.4
83.08621	12.7
85.02899	2.2
85.06538	2.6
89.13588	0.9
91.05476	29.9
93.07036	35.5
94.93202	1.0
95.04961	10.8
95.08048	1.6
95.08598	21.1
97.02897	9.4
97.06512	9.8
97.10148	11.8
99.04424	1.5
99.08085	2.0
100.36337	1.1
103.05422	1.7
105.03393	1.0
105.04546	1.1
105.07018	26.4
107.04933	9.5
107.08584	23.5
109.02884	2.0
109.06534	4.4
109.10142	12.3
111.04446	1.8
111.08080	3.8
115.05389	1.2
116.06226	1.1
117.07014	12.6
117.53506	1.0
119.04945	2.1
119.07780	1.8
119.08572	20.5
121.06512	3.6
121.10152	10.2
123.08103	5.2
123.11680	2.3
125.09605	10.3
128.06175	1.0
129.07007	5.5
130.07816	1.2
131.08562	17.0
133.06487	3.5
133.10117	15.2
135.08031	5.2
135.11682	9.0
137.09592	3.5
141.06958	1.9
142.07796	1.2
143.08521	5.1
145.05153	0.9
145.10106	12.9
147.08002	5.4
147.11708	6.0
149.09651	6.5
149.10696	1.2
149.13249	6.3
151.11177	3.0
155.08522	1.8
157.10100	5.0
159.08104	1.4
159.11673	9.3
161.09581	2.8
161.13229	2.8
162.10344	1.3
163.11137	5.6
165.09108	1.8
165.12761	1.6
169.10068	2.0
169.12154	1.7
171.10172	1.6
171.11664	2.6
173.04471	1.4
173.09634	1.3
173.13225	2.5
175.11140	2.5
177.12735	4.3
179.10654	1.1
181.10211	1.0
181.12236	1.9
183.11685	1.6
185.13176	1.6
189.11258	4.9
189.12743	1.5
193.12144	1.8
195.13768	3.5
197.13371	1.2
205.12201	2.4
223.13284	17.2
227.12662	9.4
239.17943	2.1
245.19130	1.1
247.20634	1.1
249.14841	3.7
253.14305	2.6
253.31313	1.2
255.15807	8.7
257.19028	6.0
267.15860	2.2
269.17450	18.8
273.18481	15.8
275.20050	20.1
283.15417	1.1
291.19507	100.0
292.19818	2.3
293.21164	2.8
309.20380	1.3
331.22467	1.9
340.82193	1.1
347.22186	2.4
349.23700	21.3
350.87607	1.5
365.23215	48.4
367.24899	1.3
385.70038	1.2
413.21716	1.3
519.33386	1.3
541.35114	3.2
545.26794	1.6
545.34650	17.8
559.36285	65.6
560.36121	2.0
597.27271	1.1
621.41400	2.0
639.42523	28.3
657.43103	4.7
703.40588	1.4
854.45172	4.5
855.46606	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	5.7
65.03925	1.5
67.05500	47.7
69.03419	2.0
69.07066	10.1
71.04988	12.6
71.60596	1.0
73.02908	2.4
79.05488	18.0
79.51564	0.5
81.03419	3.8
81.07052	61.5
82.07375	0.7
83.04967	4.3
83.08614	9.0
83.50220	0.6
85.02907	8.6
85.06544	5.2
87.04462	0.8
91.03950	4.8
91.05475	16.0
93.07038	30.0
95.04969	4.1
95.08042	1.0
95.08606	12.7
96.40387	0.6
97.02871	3.9
97.06538	5.9
97.10168	3.0
99.04446	1.2
99.08094	1.8
100.84942	0.7
105.07020	7.1
107.04948	1.3
107.08588	20.1
109.06511	2.3
109.10147	10.6
111.04436	0.7
111.08086	3.5
113.06017	0.8
117.07008	4.8
119.08583	2.9
121.06483	1.3
121.10130	11.9
123.08044	1.1
123.11694	7.3
125.09615	2.1
127.03907	1.8
128.06166	0.6
129.05453	1.1
131.08557	4.9
133.10136	10.7
135.08060	0.9
135.11665	6.3
137.09579	1.0
139.03954	0.6
139.11197	1.0
145.04912	1.0
145.10139	0.8
147.04471	0.8
147.11676	2.3
149.09641	1.0
149.13248	18.1
151.11148	4.8
153.12836	0.6
159.11684	9.5
163.05974	1.6
163.11127	1.0
167.14343	0.8
169.12239	0.9
173.04561	0.6
173.11742	1.7
177.12769	3.8
181.12170	1.0
183.13702	1.6
187.13319	2.2
195.13773	6.5
211.13208	0.7
213.14919	1.9
225.14893	1.5
227.12666	0.8
229.14308	7.0
243.15800	0.7
251.16368	0.8
257.17535	0.8
267.15955	1.7
269.17480	18.0
283.15488	0.7
301.16467	2.5
301.20108	3.4
411.27792	1.0
413.21838	0.7
423.27521	7.7
437.28986	28.7
438.29492	0.9
449.29190	0.8
451.30484	3.6
463.30533	100.0
464.30972	3.5
495.33771	27.6
496.33621	1.2
513.30444	2.7
538.31061	0.6
549.31995	0.6
581.32874	0.9
607.34399	1.4
639.37622	3.2
867.74286	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	7.9
65.03927	1.9
67.05501	23.2
69.03429	5.8
69.07062	7.8
71.01317	0.6
71.04988	5.1
73.02901	2.8
76.62965	0.4
77.03939	0.4
79.05486	25.7
81.03410	81.9
81.07050	30.5
83.04973	16.9
83.08611	29.7
85.02896	40.1
85.06561	1.9
86.10921	0.4
86.67294	0.4
87.04445	0.4
91.03957	6.3
91.05473	34.3
92.05833	0.4
93.07036	18.2
95.04959	33.7
95.08592	10.0
97.02882	8.7
97.06525	4.1
97.10157	5.3
99.04447	1.4
99.08083	1.4
101.02377	0.5
101.05996	0.4
105.07018	26.5
107.04952	6.9
107.08588	7.7
109.02865	0.8
109.06517	6.2
109.10153	2.9
111.04437	2.9
111.08072	13.9
113.05994	3.0
115.03967	0.5
115.05436	1.8
117.07018	1.8
119.04906	0.9
119.08569	22.8
121.06463	2.8
121.10131	9.4
123.04428	0.8
123.08063	3.5
123.11718	2.6
125.05994	0.8
125.09618	2.2
127.03905	2.3
127.07561	0.8
129.05511	0.8
129.06999	12.6
131.08565	14.1
133.06485	4.0
133.09099	0.7
133.10121	13.7
135.08018	0.5
135.11629	0.6
137.05968	0.6
137.09608	2.5
142.07779	3.4
143.08600	0.8
144.40584	0.4
145.04933	2.1
145.06361	0.6
145.10091	2.3
147.08064	3.5
147.11676	20.6
149.09605	7.8
151.11186	0.7
153.01775	0.7
155.08594	0.5
157.10114	20.0
161.09647	0.5
163.05945	2.6
163.11166	1.8
165.12730	4.0
167.07060	0.7
175.11172	20.0
189.11151	0.6
193.12225	56.9
194.12556	0.8
211.13271	79.1
212.13658	1.1
229.14320	0.7
229.31406	0.6
241.14348	0.4
249.14871	1.2
267.15891	44.6
268.16315	0.6
273.14822	0.5
285.16937	80.1
286.17276	1.2
349.21463	1.2
367.22638	2.5
385.23752	4.3
403.24850	1.4
429.21292	0.6
433.25839	3.2
441.26175	2.2
459.27386	37.6
460.27502	0.4
477.28442	37.1
478.28577	1.2
495.29504	100.0
496.29819	1.9
620.25525	0.5
621.32343	0.8
639.33807	2.1
804.33246	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	14.2
62.52440	0.7
65.03928	2.3
67.05500	84.7
69.03423	5.7
69.07065	17.4
71.01352	1.6
71.04987	7.0
73.02908	8.5
77.03963	0.8
78.91811	0.8
79.05488	32.5
81.03410	14.2
81.07050	67.1
83.04982	8.6
83.08614	19.3
85.02900	26.0
85.03419	1.3
85.06526	4.8
87.04458	4.7
88.62341	0.7
91.03944	12.2
91.05473	27.6
93.07038	39.8
94.64754	0.8
95.04962	9.2
95.08607	19.3
97.02881	14.0
97.06534	11.3
97.10161	13.2
99.04452	1.5
99.08081	1.7
103.03918	1.9
105.07030	10.6
107.04962	3.5
107.07858	1.6
107.08587	29.0
109.02895	1.2
109.06544	3.8
109.10146	51.3
111.04471	2.0
111.08065	6.2
113.05942	1.0
115.03898	1.0
116.04747	1.2
117.07015	8.6
119.08566	10.4
121.06502	2.6
121.10138	11.0
123.04435	1.3
123.08054	3.3
123.11685	4.1
125.09628	9.8
127.03883	5.1
129.05464	6.7
129.06987	2.2
131.08537	8.4
133.10114	12.2
135.08051	2.5
135.11696	11.4
137.09618	3.5
143.07101	1.3
143.10681	1.3
145.04942	6.8
145.10117	5.5
147.08049	1.7
147.11653	5.6
149.09612	2.0
149.13254	13.1
151.11159	2.3
153.12759	3.0
155.10663	3.3
157.10121	2.9
159.11697	7.9
163.06026	7.0
163.11162	7.2
165.09100	1.0
165.12764	3.3
167.14291	0.9
173.04480	1.5
173.09685	1.5
173.11728	16.1
175.11198	1.1
177.12798	3.4
178.05884	0.8
181.12198	3.4
185.08032	0.9
185.11702	1.3
186.03149	0.9
191.10675	3.2
193.12222	4.9
195.13815	10.8
199.13248	5.3
206.70386	0.8
209.11710	6.0
211.13249	4.8
213.14870	1.3
215.14412	1.0
227.12761	9.1
229.14330	46.6
239.16455	5.0
249.14713	1.0
251.16475	0.8
255.15877	1.1
257.13803	1.3
267.15878	12.9
269.17465	49.9
272.82932	0.9
283.15399	8.1
285.16989	1.6
295.19238	1.3
297.16934	1.7
301.16437	15.7
313.16516	1.3
323.18469	2.3
357.24319	1.8
393.26425	2.1
411.27362	6.2
423.27380	42.0
431.27972	5.2
449.29031	4.6
463.30383	1.6
477.28394	5.1
495.29492	100.0
496.29752	2.1
513.30566	30.3
675.35510	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	14.1
65.03941	2.9
67.05500	69.2
67.22237	1.1
69.03423	8.9
69.07064	20.5
69.33741	1.0
69.49574	9.6
71.01360	1.2
71.04993	6.9
73.02917	8.0
76.16208	1.0
79.05488	43.1
80.05784	1.0
81.03415	22.0
81.07051	81.3
82.04196	2.7
83.01330	1.4
83.04977	15.7
83.08611	21.1
85.02895	19.4
85.03364	1.6
85.06530	4.9
87.04483	1.3
88.61145	1.1
91.03956	9.1
91.05476	29.3
93.07035	54.0
95.04957	17.6
95.08035	2.2
95.08594	21.0
97.02880	13.4
97.06533	14.2
97.10155	11.5
98.07304	5.5
99.04455	2.3
99.08097	2.5
105.07028	14.3
107.04950	7.7
107.07863	1.7
107.08586	32.7
109.02873	3.3
109.06513	5.2
109.10154	17.3
111.04442	1.7
111.08076	9.5
113.06001	1.5
115.03991	1.3
116.04696	7.7
117.07013	9.4
119.08576	11.6
120.78555	1.0
121.06508	4.2
121.10140	18.9
122.41113	1.1
123.08067	6.5
123.11702	4.5
125.09624	10.9
127.03905	7.1
129.05476	16.0
129.06992	2.5
131.08566	13.6
133.06496	2.3
133.10121	16.1
135.08064	3.9
135.11681	12.1
137.09627	4.3
139.11105	1.5
143.07062	5.2
143.08772	1.3
145.04932	4.6
145.10114	4.2
147.04388	1.6
147.11687	7.4
149.09619	2.8
149.13251	25.1
151.03877	1.4
151.11192	2.1
153.01820	3.3
153.12656	1.8
157.08621	7.7
157.10130	5.8
158.05745	1.9
159.11673	13.0
163.03897	1.9
163.06023	3.8
163.11131	5.7
165.12798	1.5
167.14424	1.2
171.06520	3.3
171.10150	2.0
173.09644	2.7
173.11719	6.0
175.11124	2.6
177.05482	2.3
177.12738	6.4
181.12199	1.7
189.11186	5.8
191.10725	3.0
193.12219	7.2
195.13780	17.3
199.13269	13.9
209.11739	7.2
211.13280	5.8
213.14807	3.0
217.14413	1.2
227.12717	9.8
229.14374	3.6
239.12784	1.1
255.15901	1.7
267.13251	1.8
267.15884	14.1
269.17453	83.8
283.15411	14.9
285.16995	3.5
297.17288	1.3
301.16437	35.4
323.18585	2.9
323.22113	1.4
354.43616	1.1
365.26920	1.7
383.27802	1.5
393.26315	8.3
411.27377	19.1
413.21701	2.4
423.27374	53.2
431.28238	1.7
449.29047	1.7
459.27371	2.3
461.28662	5.2
463.29987	1.5
477.28421	21.6
478.29535	5.6
479.29803	1.7
495.29471	100.0
496.29761	2.5
567.31244	1.6
621.32111	2.1
639.33356	7.2
657.34509	2.0
855.39679	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02632	1.9
61.02923	18.9
65.03934	3.4
67.05501	99.5
69.03429	9.2
69.07060	19.0
69.41891	6.1
69.42321	4.2
71.01337	1.4
71.04972	9.2
73.02910	9.3
79.05489	42.6
81.03410	15.6
81.07052	88.4
83.01279	1.3
83.04966	10.3
83.08617	27.6
85.02487	1.0
85.02901	31.5
85.06543	6.1
87.04477	3.7
91.03960	13.4
91.05475	35.3
93.07038	47.5
95.04958	11.3
95.07982	1.6
95.08598	27.6
97.02885	14.0
97.06532	13.2
97.10157	16.3
98.53814	1.1
99.04446	3.2
99.08082	2.5
105.07013	17.0
107.04935	6.9
107.08587	35.7
109.06506	5.6
109.10144	57.5
111.04393	1.9
111.08073	8.7
117.07018	10.5
119.08560	11.6
121.06516	3.2
121.10136	13.8
123.04430	1.7
123.08072	3.8
123.11718	6.4
125.09632	12.1
127.03927	6.2
129.05467	6.1
129.07033	1.6
129.09158	1.1
131.08563	12.8
133.10106	15.3
135.08061	3.5
135.11682	14.8
137.09618	3.3
137.41072	1.2
143.10652	1.4
145.04950	5.8
145.10115	5.5
147.04408	1.5
147.08063	1.8
147.11710	5.6
149.09578	2.8
149.13254	12.7
151.11159	2.6
152.31316	1.2
153.12715	2.5
155.08560	1.5
155.10661	3.0
157.10080	1.6
159.11661	9.1
161.97017	1.2
163.05980	5.9
163.11203	5.4
165.12718	3.0
167.14268	1.7
173.09552	1.4
173.11731	16.2
175.11159	1.7
177.12758	4.8
181.12183	2.2
185.11691	1.8
191.10658	3.1
193.12302	3.0
195.13771	15.0
199.13304	5.4
199.60095	1.2
209.11751	5.7
211.13300	2.1
213.14795	1.3
227.12810	6.2
229.14331	43.2
229.16542	2.2
239.16360	3.5
257.13889	4.5
267.15903	9.6
269.17468	62.5
283.15421	7.3
295.19193	1.7
301.16458	15.6
301.19754	1.8
323.21982	1.2
373.25601	1.2
393.26251	1.4
411.27362	6.6
423.27414	47.3
431.28113	1.4
437.28766	6.5
449.28983	2.5
460.93134	1.3
463.30438	6.3
477.28488	5.5
495.29172	100.0
513.30603	26.0
558.28314	1.4
634.88483	1.3
639.36078	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.88437	0.1
68.99809	0.1
69.03419	0.2
69.19196	0.1
69.68551	0.3
69.68958	0.1
70.06594	0.1
71.50339	0.1
74.55995	0.1
79.01849	5.0
81.03415	0.5
87.00829	0.1
90.64793	0.1
93.65380	0.1
97.02882	1.0
107.01316	0.9
109.02876	0.9
115.03938	0.1
123.00801	0.2
123.04486	0.1
125.02344	3.6
127.03915	2.9
127.04897	0.1
131.04897	0.1
131.38025	0.1
140.68361	0.1
143.03389	7.9
147.04469	0.1
151.03900	0.1
153.01819	100.0
153.02757	3.7
154.02153	1.2
159.04388	0.3
161.05965	0.1
163.03951	0.2
167.07063	0.1
177.05367	0.1
181.01308	0.2
183.02803	0.1
187.03839	0.1
189.05409	0.1
191.03519	0.1
192.06506	0.3
197.00833	0.1
205.04939	0.5
215.03389	0.2
217.04892	0.3
233.04414	1.4
235.02278	0.1
237.03885	0.1
243.02800	0.4
261.03955	2.0
261.06772	0.1
262.04196	0.1
263.34161	0.1
279.04974	3.2
280.05234	0.1
297.05963	0.1
305.02884	2.2
344.07608	0.1
359.07953	0.1
431.06079	0.2
449.07245	0.3
581.33630	0.1
619.09375	0.1
746.84961	0.1
771.10254	0.7
772.09796	0.1
854.07172	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	851.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	5.2
67.05504	66.5
69.03419	38.4
69.07056	16.2
70.06580	5.9
70.29311	3.8
71.01337	5.3
71.04974	13.8
73.02906	5.8
79.05120	4.5
79.05491	52.8
81.03412	100.0
81.07051	59.9
83.04949	20.7
83.08601	17.7
85.02889	28.0
85.06529	5.1
88.07579	5.9
91.05467	44.8
93.07042	41.6
95.04971	29.5
95.08612	41.8
97.02884	35.4
97.06531	8.2
99.04440	13.4
101.02354	5.9
102.09171	6.0
105.07022	38.1
107.04993	10.4
107.08584	30.3
109.02836	24.9
109.06499	9.6
109.10123	22.9
111.04408	10.9
111.08056	12.7
117.07001	16.0
119.08578	30.5
121.06509	7.6
121.10157	20.4
123.04401	13.4
123.08065	6.0
123.11698	7.8
127.03901	23.7
129.06985	16.9
131.08545	22.5
133.06474	5.4
133.10126	18.6
135.04327	6.3
135.07924	5.0
135.11646	11.3
139.03928	7.0
143.08556	6.6
145.10126	18.5
147.04276	5.6
147.08066	5.2
147.11653	22.2
149.02328	24.4
149.09604	5.2
149.13261	6.0
150.02704	6.2
150.87866	4.7
157.10115	17.4
159.11612	8.5
161.13286	4.8
165.05428	6.7
165.12677	8.0
173.04445	9.9
175.03877	5.6
175.11198	11.9
177.05411	4.2
193.04956	17.0
193.12254	39.0
208.13672	4.5
211.13255	64.6
229.35318	5.1
256.26205	9.7
257.26688	5.8
261.22070	7.9
264.30762	4.8
267.15805	18.6
285.16940	11.5
301.14124	6.2
333.24146	5.3
335.25726	41.6
337.16302	5.8
355.17300	8.1
369.23880	6.2
411.20230	7.0
527.37115	11.5
545.38330	29.2
653.40558	10.7
671.41266	11.9
689.41986	26.7
851.39966	26.2
852.39581	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	851.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04989	2.0
61.02907	2.6
65.03936	4.9
67.05502	64.5
69.03424	39.2
69.07056	12.6
70.06566	2.6
71.04988	11.6
71.61414	4.6
73.02914	4.2
79.05481	51.8
81.03410	100.0
81.07053	67.1
83.04977	18.9
83.08617	19.5
85.02892	28.7
85.06506	2.3
88.07619	4.2
91.05466	46.3
93.07032	57.3
95.04963	35.5
95.08601	32.9
97.02883	42.3
97.06499	5.6
97.10139	3.2
99.04476	12.7
101.02361	3.0
103.05434	3.1
105.07021	37.8
107.04950	12.2
107.08585	33.0
109.02889	23.1
109.06493	7.6
109.10136	11.6
111.04430	10.2
111.08054	8.0
117.07014	10.8
119.04873	3.2
119.08561	26.3
119.98486	2.4
121.06492	4.1
121.10126	25.3
123.04418	8.5
123.11697	7.9
125.09608	5.8
127.03913	34.1
129.05472	5.5
129.06990	12.3
131.04951	2.8
131.08543	14.3
133.06462	4.6
133.10121	16.1
135.11652	9.2
137.05927	2.9
137.09610	4.4
139.03851	2.6
142.07776	3.9
143.08575	5.7
145.04898	3.8
145.06462	2.6
145.10143	11.4
147.04395	3.4
147.08029	6.5
147.11668	30.7
149.02330	10.7
149.05974	3.0
149.09593	8.2
149.13237	5.2
151.11150	2.3
155.08528	4.5
157.10170	15.3
159.11690	8.9
161.09657	3.0
161.13268	2.9
163.11179	4.7
165.05446	2.8
165.12720	7.6
171.11676	4.4
173.04495	6.9
173.13257	3.7
173.74675	2.5
175.11151	13.0
175.14731	2.4
177.12723	2.3
181.12210	5.3
185.13310	3.5
185.84375	2.4
187.11220	3.4
193.04994	6.8
193.12231	37.3
211.13231	60.2
227.12587	3.2
229.14288	5.3
249.14804	3.0
256.26303	6.4
257.26627	3.0
261.22186	7.0
267.15814	13.1
285.17029	14.8
289.21469	2.8
291.15674	2.8
322.87033	2.2
335.25769	44.8
337.16357	5.2
355.17435	10.0
400.35645	2.6
411.20041	11.5
428.17023	2.6
429.21216	4.8
479.29736	3.4
527.37372	18.2
545.38245	28.2
573.25085	3.5
671.19733	2.4
671.40900	7.8
689.42517	22.6
766.35120	2.9
850.38232	2.7
851.40192	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	851.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
64.42253	0.8
65.03934	2.5
67.01838	0.9
67.05489	1.4
68.99780	11.4
71.61682	0.9
74.12163	0.8
79.05476	2.3
81.03390	2.9
81.13752	0.7
85.02877	1.2
89.03901	1.5
91.05460	7.8
93.03365	1.4
93.72960	0.8
95.04963	9.4
97.02877	0.9
105.03384	1.4
106.31483	1.0
107.04942	100.0
108.05306	0.9
109.02845	2.0
111.00786	10.4
111.04431	8.9
114.03815	0.9
114.75297	0.9
115.05458	1.4
117.03351	1.2
117.06998	1.1
119.04932	62.0
120.05306	0.8
120.14947	0.7
121.02882	7.2
123.04417	84.6
127.03905	59.6
127.04649	0.7
129.07025	1.5
131.04903	3.5
133.02762	0.9
133.06494	5.9
135.04402	45.9
137.02313	5.6
137.05968	1.2
139.03886	67.3
141.06978	1.3
141.52907	0.8
143.04926	1.2
145.06459	10.3
147.04393	52.4
149.02322	11.2
149.05894	1.0
150.03079	0.8
151.03896	28.9
153.01791	1.3
153.05417	1.1
153.06821	1.5
157.06483	5.2
159.04410	3.0
161.02350	1.1
161.05943	8.9
163.03889	55.9
165.01752	1.6
165.05489	9.1
165.06839	1.6
167.03378	13.3
169.04945	2.3
169.06384	1.9
171.04385	10.1
171.07976	1.4
173.02292	1.1
173.05920	3.6
175.03825	5.8
177.05493	6.5
179.03380	14.6
181.05002	1.3
181.06445	3.1
183.04369	1.8
185.05968	7.5
187.03880	6.7
187.07603	4.5
189.01753	1.2
189.05472	10.9
191.03355	13.8
193.04955	2.6
197.05844	4.3
199.03889	1.1
199.07506	4.3
201.05449	6.4
203.03360	17.4
203.06990	3.0
205.04918	3.6
207.02762	1.1
207.06516	1.7
209.04190	1.0
209.05980	1.6
213.05455	9.7
215.03442	4.8
215.07001	5.4
216.04146	1.3
217.04922	2.9
223.02362	2.7
223.07674	1.0
225.05461	2.4
227.03386	1.4
227.07001	6.5
229.04947	11.7
231.02827	2.1
231.06491	63.3
233.04422	7.8
237.05457	1.7
239.06961	1.9
241.04909	6.6
242.05719	2.1
243.02852	1.8
243.06487	11.1
244.03636	3.4
245.04431	66.7
245.08015	4.7
246.04671	1.4
247.05989	33.3
251.05363	1.6
253.04875	2.5
255.06503	20.1
257.04431	21.1
258.05173	2.3
259.05997	13.4
260.06583	1.2
261.04153	0.9
261.07535	2.3
263.05453	2.9
265.04706	1.0
267.06476	5.1
269.04416	8.7
270.05209	1.6
271.05991	20.4
273.07541	41.1
274.04730	6.8
274.07626	1.3
275.05444	29.5
275.08432	1.6
277.03378	1.7
279.06421	2.8
281.04437	3.3
281.07962	1.1
282.05078	1.4
283.05969	11.6
285.03915	3.6
285.07535	10.1
287.05469	28.8
289.03839	1.3
289.07056	29.1
291.08627	29.5
293.04544	1.1
295.06116	4.6
297.03891	3.6
297.07504	4.7
299.05496	10.9
301.07019	18.7
303.05005	3.1
303.08606	5.0
305.08002	0.9
307.06161	2.2
309.03867	4.6
310.78821	0.8
311.05426	3.4
313.06940	3.5
315.05377	1.5
315.08493	3.5
317.07224	0.9
321.04092	1.3
321.07428	2.0
323.05453	3.8
325.07138	1.2
329.06769	2.9
331.07980	1.5
335.05237	1.2
337.06985	1.4
345.07526	1.4
347.09106	1.5
349.06985	1.9
351.05054	4.9
361.06982	2.3
363.04559	1.2
363.08563	4.9
365.06406	2.9
365.10397	1.2
373.07059	2.0
375.08673	4.1
377.06506	2.4
379.07974	4.9
380.08939	0.9
381.09702	11.3
383.07489	6.9
389.06207	1.8
389.10635	1.2
391.08139	15.8
393.05658	6.7
393.10025	22.5
395.07263	2.5
395.11612	2.3
397.09174	1.2
403.07999	4.9
405.05399	6.2
405.10242	1.8
407.07495	22.3
409.03604	1.7
409.09113	32.7
411.10770	10.8
417.10040	5.9
419.07217	5.2
421.09122	9.2
425.08591	11.9
427.10223	24.0
428.10229	1.4
433.09091	2.8
435.10794	12.2
437.08490	13.4
439.10202	4.2
449.08572	2.6
451.10175	4.3
453.11792	2.9
467.09641	1.2
469.11212	2.2
501.11783	6.8
511.10159	3.5
513.11981	1.0
519.12872	4.2
525.11603	3.7
527.09570	2.1
529.11029	3.0
537.11615	1.8
543.13098	4.3
545.10565	8.1
555.12469	3.9
557.10272	1.5
561.13873	5.5
563.15106	2.8
571.11786	1.3
573.14203	1.8
579.14954	6.3
663.14539	3.5
681.15356	4.2
697.15155	4.6
699.16730	2.9
715.16339	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
60.56784	0.8
65.03941	3.4
65.88046	0.9
67.01853	1.1
67.05502	1.7
68.99789	13.3
69.33105	9.2
74.58915	0.7
79.05494	2.5
79.16650	0.8
81.03412	4.9
85.02881	1.5
89.03909	2.4
91.05473	6.4
93.03400	1.9
95.04956	7.5
99.04478	1.7
103.05497	1.1
105.03393	1.3
107.04949	96.6
108.05299	1.3
109.02856	4.3
111.00798	7.5
111.04437	11.4
115.05462	1.4
117.03383	1.2
117.06999	1.3
119.04935	53.3
120.05276	0.9
121.02853	7.9
123.04420	99.9
124.04782	1.1
127.03909	100.0
129.06955	0.9
131.04936	5.3
133.06482	6.5
135.04407	62.9
137.02342	6.1
137.05919	0.9
139.03893	53.9
141.06958	1.2
141.59320	0.8
143.04898	1.1
144.50772	1.0
145.02876	1.6
145.06471	10.6
147.04404	54.8
149.02339	11.6
149.05986	3.7
151.03893	27.4
153.01826	1.6
153.05690	0.8
153.07022	1.6
155.04977	2.0
157.06476	4.4
158.53471	0.9
159.04407	6.3
159.07870	1.1
161.05963	10.8
163.03896	53.3
164.04321	0.9
165.01830	2.4
165.05487	8.0
165.06900	1.9
167.03406	16.0
167.04735	1.5
169.06412	4.1
171.04436	9.2
171.08084	1.2
173.05971	5.9
175.03865	5.2
175.07541	1.4
176.04726	1.5
177.05475	7.6
179.03386	18.1
179.04871	1.0
179.07053	0.9
181.04935	1.1
181.06485	2.4
183.04440	2.5
183.08096	1.5
185.05942	6.9
187.03880	10.7
187.07509	4.9
189.01775	1.6
189.05447	9.8
190.02647	1.8
191.03383	16.4
193.05002	4.8
197.05978	9.0
199.07558	3.2
200.04601	1.0
201.05460	11.3
203.03400	20.0
203.05206	1.7
203.07031	4.0
205.04953	3.7
207.06537	3.1
211.07567	2.1
213.05476	7.5
215.03400	8.7
215.06958	5.7
216.04169	3.2
217.04973	5.0
219.06558	1.2
221.04320	1.6
223.02354	3.4
223.07594	1.4
225.05460	4.2
227.03384	1.1
227.06960	4.5
229.04967	16.7
231.02882	2.1
231.06503	40.5
233.04420	5.5
235.02332	1.3
237.05469	1.8
239.07030	6.7
241.04980	4.9
243.02843	2.6
243.06525	23.9
244.03615	10.0
245.04440	40.2
245.08180	3.2
246.04613	0.9
247.06004	49.5
248.06273	0.9
251.05463	1.9
253.04922	4.4
255.03491	1.0
255.06464	16.9
257.04465	26.6
257.08057	5.0
258.05191	2.2
259.06003	5.4
261.03809	1.0
261.07648	2.0
265.05066	1.2
267.06519	19.7
269.04425	10.0
269.07870	1.5
271.05972	26.7
271.08765	1.6
273.04218	2.1
273.07547	48.2
274.04736	17.5
274.07666	0.7
275.05472	13.8
279.06549	3.1
281.04404	2.8
281.07755	1.9
283.05963	4.8
285.03952	13.3
285.07574	23.0
286.04694	3.5
286.07733	0.8
287.05481	34.4
288.05731	1.0
289.07016	24.2
291.08649	37.0
293.04553	1.2
295.06067	4.3
295.09360	1.4
297.03976	2.9
297.07568	4.8
299.05508	10.5
301.07120	1.7
303.05069	5.6
303.08350	5.0
307.06134	4.2
307.09204	0.9
309.03943	3.3
309.07236	1.2
311.05560	3.7
313.06967	2.4
315.04987	2.5
315.08615	3.9
319.05838	1.1
321.04105	0.9
321.07562	1.6
323.05481	2.9
323.08975	1.8
325.07150	0.9
327.04935	1.4
329.08044	1.4
339.05167	1.7
345.07581	5.1
347.09033	1.1
348.06525	0.9
349.06973	3.1
351.04993	3.6
357.07614	1.1
361.06870	1.0
363.04691	1.8
363.08606	9.1
365.10413	1.2
367.08176	6.9
373.07010	4.0
375.04602	1.3
375.08679	2.2
377.06390	1.0
379.08139	2.1
381.09653	1.6
389.10559	1.0
391.08087	41.8
392.08563	1.1
393.06335	4.1
393.09906	36.0
394.10028	1.8
395.11432	7.7
396.08353	1.0
397.09302	1.1
403.08118	10.3
405.05420	6.7
405.09967	2.6
407.07501	2.8
407.12042	1.1
409.03622	1.7
409.09113	34.5
410.09155	1.1
411.10760	21.7
415.09155	0.9
417.10095	5.8
419.07114	1.5
421.09174	25.0
423.10739	2.7
424.47168	0.9
425.08780	2.5
427.10294	11.5
433.09064	5.8
435.11011	7.6
437.07947	1.7
437.13138	1.8
439.10147	2.9
451.10437	1.5
461.08282	1.1
501.11615	5.6
511.10022	3.4
513.11230	0.9
515.13403	1.6
519.12946	3.7
525.11603	4.1
527.09906	2.3
529.11237	3.5
543.12830	4.3
545.10455	6.0
555.12506	1.6
557.10846	1.1
561.14056	5.9
563.15430	11.7
571.11761	1.5
579.15100	1.6
589.13727	1.3
679.14423	1.1
681.15851	4.9
697.15167	2.5
717.36267	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	2.3
67.05486	1.5
68.99781	12.0
71.33828	0.9
77.03907	0.7
79.05483	1.8
81.03418	3.2
83.04967	1.8
85.02898	1.1
87.62091	0.6
89.03923	1.5
91.05473	6.7
93.98183	0.7
95.04961	9.4
97.02879	1.2
99.04457	0.7
103.05431	0.8
105.03407	1.6
105.04485	0.7
105.07025	1.3
107.04952	100.0
108.05276	1.2
109.02854	3.5
111.00800	10.6
111.04448	7.7
115.05476	1.4
117.03406	1.2
117.14342	0.7
119.03695	0.9
119.04939	60.1
121.02864	8.6
123.04424	77.8
123.73239	0.7
124.04792	1.1
127.03913	76.8
128.04231	0.9
128.06247	1.0
129.07039	0.8
131.04900	3.4
133.06477	7.2
135.04411	44.3
137.02318	4.2
137.05962	0.9
139.03896	71.1
140.04259	1.2
141.06978	1.0
143.04929	1.2
145.02800	1.1
145.06483	9.9
147.04405	46.5
148.04691	0.6
149.02345	14.1
149.06004	1.8
151.03899	23.2
153.01799	1.4
153.05466	0.9
153.07077	1.3
157.06502	6.9
159.04395	3.6
161.02303	1.6
161.05986	9.3
163.03903	57.9
164.04359	0.9
165.01816	1.3
165.05472	7.7
167.03424	15.7
167.04817	1.0
169.04951	2.4
169.06500	3.1
171.04413	9.8
171.05740	1.1
171.08069	1.5
173.05991	4.1
175.03845	4.7
175.07494	0.9
177.05470	9.3
179.03403	11.1
181.04977	1.7
181.06516	3.0
183.04459	1.7
185.05980	7.2
187.03883	7.3
187.07497	3.7
189.05478	9.8
191.03381	16.4
191.07025	1.2
193.04947	3.3
196.11520	0.7
197.05946	3.6
199.03839	1.6
199.07541	3.0
200.04797	0.8
201.05452	7.4
203.03381	15.9
203.05205	1.0
203.06987	4.3
205.04959	4.1
207.06516	2.3
209.06030	1.8
211.07541	0.8
213.05472	8.7
215.03519	4.0
215.06985	4.7
217.04910	3.8
219.02873	0.9
221.04401	1.0
223.02414	1.9
225.05489	2.1
227.03326	0.7
227.06973	6.7
229.04936	11.9
231.06509	59.5
232.06989	1.6
233.04408	6.4
235.02374	1.4
237.05496	2.6
239.07100	1.5
241.04939	4.3
242.05713	1.6
243.02994	1.5
243.06519	9.4
244.03648	1.8
244.07431	0.7
245.04449	72.6
245.07994	3.4
246.04858	1.3
247.06000	26.6
251.05440	1.2
253.04884	3.9
255.02747	0.9
255.03391	0.9
255.06496	19.9
257.04440	22.6
258.05164	2.2
259.05997	12.2
260.06747	1.1
261.04059	0.6
261.07535	1.2
263.05573	2.7
265.05081	1.9
267.06580	4.0
269.04416	7.5
269.07437	1.0
269.07996	0.9
270.05167	1.2
271.05988	20.2
271.08755	1.2
272.06421	1.1
273.07562	30.5
274.04745	5.5
274.07538	1.4
275.05493	30.2
279.06583	1.4
281.04468	2.8
281.07684	0.7
283.05994	15.9
285.04541	4.2
285.07092	4.5
286.04636	1.1
287.05472	30.1
288.05829	0.8
289.07062	26.7
291.08636	32.3
292.09070	0.9
293.04550	1.7
295.05930	3.1
297.04108	2.7
297.07666	2.4
299.05472	8.2
301.07043	16.4
303.05130	1.8
303.08749	3.5
307.06021	1.4
309.04114	3.2
309.07281	1.2
311.05603	2.6
313.06955	3.6
319.06024	1.2
321.04178	0.8
321.07559	0.7
323.05609	4.0
325.06873	0.8
327.04932	0.9
329.06488	1.2
331.08325	0.9
337.07043	1.2
339.04953	1.2
345.07813	1.6
347.09314	1.9
349.07065	1.1
351.04919	3.9
361.07043	2.9
363.04733	0.8
363.08749	1.7
365.06555	2.2
365.10529	1.6
373.06976	0.9
375.08786	2.4
377.06543	1.2
379.08041	4.1
380.08905	1.3
381.05014	0.7
381.09698	11.9
383.07477	3.5
389.06454	2.2
391.08087	7.0
393.05838	3.7
393.10052	16.0
395.07443	1.5
403.08185	2.6
405.05734	7.4
405.10721	0.6
407.07489	25.0
408.08246	1.1
409.03656	1.4
409.09152	27.9
411.10751	7.9
417.09735	3.0
419.07330	3.7
421.09079	7.0
425.08667	13.3
427.10269	24.3
433.09308	2.1
435.10938	7.1
437.08618	11.0
439.10089	3.7
449.08643	1.4
451.10114	2.9
453.11948	2.3
469.11249	1.2
501.11795	3.9
511.10168	1.4
513.11615	1.0
519.12732	3.5
525.11774	2.3
527.09869	2.5
529.11523	1.6
543.12567	3.1
545.10858	6.5
555.12994	1.6
557.10681	1.4
561.13855	4.5
563.15204	1.6
573.13934	1.5
579.14966	11.7
663.15430	1.5
681.16748	3.1
683.17664	1.0
697.15308	3.2
699.16467	1.6
715.16632	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	851.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
63.37480	1.6
65.03925	4.1
67.05489	1.8
68.99776	14.9
69.03410	6.3
69.27123	1.7
69.27432	16.5
71.85957	1.3
73.02892	2.5
79.05494	2.0
80.04824	1.2
81.03410	10.8
83.04971	1.3
85.02897	11.3
91.05470	8.7
93.54915	1.6
95.01312	1.8
95.04958	8.6
97.02876	6.3
98.97569	3.4
107.04945	100.0
107.58022	1.3
108.05253	1.5
109.02859	7.8
110.97538	1.5
111.00806	7.8
111.04424	12.9
115.05450	1.9
116.98634	2.3
117.03297	1.4
119.01929	1.9
119.04932	66.1
121.02890	6.6
123.04418	81.9
124.04740	2.5
127.03909	92.5
128.04240	2.2
128.98608	2.6
131.00171	1.6
131.04910	5.5
133.06482	7.1
134.99667	3.3
135.04405	55.2
137.02347	7.6
137.05887	2.0
139.03885	72.6
143.01880	2.5
145.04938	3.4
145.06499	10.8
146.99603	2.7
147.03207	3.2
147.04391	59.4
149.02292	12.2
149.05949	2.1
151.03889	29.4
153.01833	18.8
155.01781	2.0
157.06483	5.3
158.99681	1.8
159.04430	4.4
161.03058	3.3
161.05952	13.0
163.03893	56.5
165.01826	3.3
165.05457	7.7
165.06766	1.6
167.03394	20.2
169.05025	2.3
169.06488	1.9
170.99661	1.9
171.04362	11.5
171.08005	2.1
173.02890	4.9
173.05957	5.5
175.03911	4.9
177.00650	3.2
177.05412	7.4
179.03386	17.1
179.07053	1.4
181.05096	2.5
181.06409	2.6
185.02943	4.1
185.05861	6.5
187.03865	7.5
187.07556	3.7
189.00652	2.6
189.05443	11.2
191.03404	15.2
193.01306	5.4
193.04977	3.6
197.02979	2.6
197.05951	3.9
199.07544	3.9
200.04477	2.3
201.00690	4.8
201.05522	12.0
203.03381	19.6
203.06989	4.1
205.04901	4.7
207.02905	1.8
207.06470	3.5
213.00490	2.4
213.05400	9.7
215.03400	5.9
215.07034	3.4
216.04097	2.3
217.04984	4.3
219.01703	4.8
221.00797	7.8
221.27574	1.3
223.02446	3.2
225.05470	2.8
226.98602	2.1
227.03839	2.0
227.06998	5.9
228.04091	1.5
229.04976	14.1
231.02782	5.0
231.06500	60.2
232.06798	1.5
233.04430	9.1
235.02457	2.0
237.02800	3.1
239.06960	4.4
241.04930	4.7
243.02744	2.0
243.06520	12.1
244.03564	3.1
244.99690	4.9
245.04489	60.8
245.08041	3.7
246.05037	3.4
247.02368	2.7
247.06033	35.0
251.05412	3.2
253.04907	2.2
255.06485	17.6
257.04434	27.7
257.07242	2.0
257.08191	1.4
258.05081	2.6
259.02402	6.5
259.05963	17.0
261.02768	6.0
261.07440	1.8
263.00677	4.8
263.05588	3.7
267.06509	8.0
269.04568	8.8
269.07855	1.7
271.02963	4.7
271.05930	26.2
272.06519	2.7
273.07593	44.9
274.04633	5.8
275.02158	3.2
275.05457	27.8
277.03317	14.9
278.03729	3.1
279.03879	3.3
281.04355	4.3
281.07141	2.1
283.06049	12.9
285.03900	7.1
285.07516	12.5
287.00732	3.3
287.05463	31.5
289.03897	2.3
289.07034	34.4
291.08643	29.7
295.06000	4.2
297.03979	3.9
297.07413	3.1
299.05460	9.7
301.07047	16.5
303.01407	10.5
303.08707	4.9
307.05887	3.3
309.03952	4.5
311.05472	3.9
313.06915	3.9
315.08640	2.0
321.04681	2.3
323.05447	4.8
339.04507	1.9
345.07394	1.9
347.08902	1.5
349.07269	3.4
351.04944	7.5
351.08594	1.6
354.10693	12.1
354.60883	3.9
361.07086	2.4
362.09641	4.9
363.08569	4.9
365.06143	2.7
367.08099	3.8
373.06567	2.6
375.08789	3.3
379.07996	5.3
381.09528	5.7
383.07431	7.8
389.06540	1.9
391.08203	14.4
393.05731	6.8
393.10107	18.9
395.07245	2.9
395.11661	2.7
403.08051	3.4
405.05920	5.5
407.07526	17.7
409.09198	35.3
411.10944	9.2
417.09631	3.9
419.07471	3.4
421.09161	13.4
423.10864	1.8
425.08206	7.9
427.10248	29.4
435.11115	9.3
437.08420	9.5
439.10028	5.2
453.11783	3.1
461.08536	1.8
501.11682	9.8
509.08362	3.9
509.58789	1.8
511.10260	3.6
519.12933	2.4
525.12012	2.2
527.08539	4.3
529.10950	3.2
535.11133	2.1
537.12170	2.3
543.12457	3.7
545.10547	10.3
551.09106	6.9
555.12390	2.5
557.10901	1.7
561.13818	5.4
563.14722	2.3
579.15149	8.0
663.14893	2.4
681.15692	5.5
697.15082	5.5
699.16992	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	2.8
61.02921	10.7
65.03929	2.9
67.05499	81.2
69.03423	2.5
69.07065	6.7
69.44614	5.7
71.04993	3.1
72.24172	0.6
73.02914	3.6
79.05483	14.4
81.03443	1.7
81.07050	30.6
83.04977	1.3
83.08612	7.3
85.02894	13.3
85.06525	2.5
88.56905	0.6
91.03939	7.5
91.05473	11.6
91.05994	0.8
93.07036	20.8
95.04970	2.0
95.08596	23.9
97.02879	6.9
97.06536	1.7
97.10166	2.3
98.20763	0.9
99.04460	0.9
99.08092	1.1
105.07021	6.1
107.08587	12.9
109.02901	0.9
109.06474	1.5
109.10144	71.3
111.08102	2.5
117.07014	2.6
119.07772	1.1
119.08572	10.2
121.10130	10.7
123.11701	4.2
125.09622	1.4
126.79351	0.6
127.03880	3.5
131.08537	4.0
133.10107	5.3
135.11673	8.0
137.09621	2.2
137.13211	1.3
145.04941	5.1
145.10115	3.8
147.11667	3.3
149.13222	3.6
155.10658	3.1
159.11688	4.1
161.13243	2.8
163.06030	4.1
163.14777	2.3
165.12753	0.5
173.11751	20.2
173.13254	3.2
174.12152	0.7
175.14818	1.6
177.16418	0.8
187.14845	1.5
189.11232	1.4
213.14801	0.6
227.12750	7.9
229.14326	100.0
230.14703	1.8
243.21078	5.0
255.13190	0.6
261.22113	16.2
262.22455	1.0
299.23557	1.0
305.61288	0.5
317.24619	3.2
317.92288	0.6
335.25763	69.3
336.26086	1.6
373.17957	0.6
397.30737	1.8
415.32135	1.0
435.31409	0.7
471.34555	2.6
489.35718	50.4
490.36035	1.6
507.36713	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	848.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04999	3.0
61.02925	12.0
65.03934	2.4
67.05499	100.0
68.05859	1.3
69.03426	3.3
69.07059	7.4
69.94086	3.2
69.94519	1.1
71.04987	4.4
73.02919	4.9
78.85399	0.7
79.05486	19.1
81.03424	1.9
81.07049	39.8
83.04977	1.4
83.08615	9.0
85.02896	12.9
85.06545	3.0
86.09697	0.8
91.03953	9.9
91.05473	16.0
93.07037	27.9
93.07626	1.4
95.04965	2.7
95.08601	30.1
97.02895	7.3
97.06530	1.7
97.10172	2.8
99.04424	0.8
99.08088	1.7
105.07023	7.6
107.08588	15.8
109.02869	0.9
109.06516	1.1
109.10146	84.1
110.10501	1.0
111.08098	3.5
117.07005	3.5
119.08567	12.4
121.10143	11.2
123.11740	3.2
125.09631	1.6
127.03913	4.0
131.08545	5.6
131.09187	0.5
133.10110	6.5
135.11681	9.9
137.09607	3.7
137.13268	0.8
145.04973	4.1
145.10139	5.3
147.11667	4.4
149.13231	5.9
151.70534	0.7
155.10655	2.9
159.11693	4.5
161.13232	4.5
163.06006	4.0
163.11206	0.7
163.14795	2.7
173.11760	22.6
173.13242	3.9
175.14825	1.1
184.07474	0.8
187.14819	2.3
189.11131	0.8
189.16316	0.9
205.27571	0.7
227.12808	6.1
229.14333	93.3
230.14665	2.5
239.27290	0.8
243.21053	5.4
259.20737	0.6
261.22119	22.0
265.17627	0.7
266.69693	0.8
299.23581	0.8
317.24841	4.0
335.25772	78.3
336.26031	2.5
379.29874	0.8
397.31012	1.5
415.32095	0.8
471.34689	2.0
489.35730	78.7
490.36084	4.1
507.36737	10.6
633.39850	1.0
815.56824	0.9
835.03137	0.7
848.55518	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	6.3
65.03935	0.8
67.05500	4.4
68.53624	0.6
69.03419	4.0
69.07075	1.0
69.12269	0.5
70.16515	2.8
73.02915	4.0
79.05505	2.7
81.03419	4.3
81.07053	5.4
83.08627	2.0
85.02896	7.1
85.03292	0.7
85.31546	0.5
91.03939	3.6
91.05501	2.5
93.07047	4.6
95.04962	0.7
95.08643	1.1
97.02880	6.0
97.06507	0.6
98.21419	0.8
99.04472	1.2
101.02400	2.5
105.07045	1.3
107.04979	0.8
107.08602	1.9
109.02876	1.7
109.10141	1.1
117.07032	1.3
119.08610	0.9
121.10141	1.4
123.04466	2.0
127.03896	3.1
131.08568	0.9
133.10133	1.2
134.04419	0.7
147.04427	1.3
149.13248	3.1
151.04083	0.8
153.01936	0.9
157.10181	0.7
159.11719	1.3
163.03993	1.0
167.07138	0.7
177.05544	1.0
177.12764	0.8
185.04199	0.7
193.12267	1.1
195.13902	0.7
243.08429	2.0
245.18413	0.6
269.17575	1.0
285.10474	0.7
291.20370	0.7
347.09390	3.4
365.10922	0.6
405.13666	5.2
453.20938	9.1
469.20407	6.1
518.43488	0.7
615.26056	9.3
631.25488	5.7
681.34528	3.0
843.39764	100.0
844.40002	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	843.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	6.0
67.05504	3.6
69.03433	3.6
69.07059	1.5
71.04977	1.2
73.02913	5.5
78.35987	0.5
79.05482	2.5
81.03410	3.6
81.07056	4.2
83.04993	1.0
83.08637	1.7
85.02412	0.9
85.02892	7.7
85.04474	0.4
85.38707	0.4
85.86881	0.4
87.04451	0.6
91.03944	4.4
91.05492	2.9
92.81635	0.4
93.07030	4.1
94.43649	0.4
95.04974	2.0
95.08597	1.5
97.02884	6.4
97.06557	0.9
98.21481	1.3
99.04465	1.6
101.02383	1.9
101.08671	0.5
102.88031	0.4
103.03932	0.6
105.07053	1.7
107.04907	0.5
107.08573	2.7
107.66697	0.4
107.85186	0.4
109.02889	1.8
109.10160	0.7
111.04434	0.4
111.08016	0.5
115.03949	0.4
119.08610	0.9
120.65147	0.4
121.06589	0.5
121.10148	1.7
123.04440	1.5
127.03921	2.7
129.07008	0.6
131.08562	1.5
133.10129	1.6
135.04471	0.5
135.11684	1.0
145.05002	1.0
145.10101	0.5
147.04413	1.2
147.11697	1.2
149.13255	2.3
151.03961	0.7
153.01842	0.5
157.10083	0.8
159.11732	0.8
161.09616	0.5
163.03848	0.5
175.11226	0.7
177.05533	1.0
177.12772	0.5
177.81787	0.4
185.04172	0.5
193.12326	1.0
195.13885	0.8
203.05316	1.2
211.13503	0.5
214.70985	0.4
235.13130	1.0
243.08461	1.3
243.66141	0.5
251.12715	1.0
269.17648	0.7
291.15839	0.7
303.11829	0.4
309.14926	0.6
326.97675	0.4
347.09464	3.0
365.10452	0.6
405.13657	7.3
405.18454	0.6
453.20914	12.4
469.20374	7.2
487.60788	0.4
615.26111	11.2
631.25513	4.5
632.25378	0.6
681.34949	3.8
843.39728	100.0
844.39984	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	838.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	8.9
65.03907	1.1
65.25871	0.4
67.05497	39.1
68.05822	0.7
69.03423	4.2
69.07059	12.8
70.14262	0.4
70.18748	2.0
71.01324	0.5
71.04984	4.8
73.02905	3.6
79.05485	28.6
81.03410	46.0
81.07048	51.1
82.07372	0.6
83.04477	0.5
83.04971	12.3
83.08608	22.6
85.02897	20.5
85.06537	2.7
91.03944	5.1
91.05470	27.4
93.07032	38.0
94.07336	1.0
95.04957	19.6
95.08592	12.7
97.02877	6.6
97.06522	7.3
97.10163	2.3
99.04407	1.4
99.08087	2.6
105.04478	0.6
105.07018	18.0
107.04956	4.5
107.08583	20.7
109.02812	0.6
109.06498	4.0
109.10144	3.2
111.04406	1.7
111.07363	0.7
111.08071	9.9
111.11658	0.7
113.05980	1.8
113.09623	0.5
115.05418	1.1
117.07011	4.7
119.04874	0.6
119.08568	12.6
121.06454	1.6
121.10133	14.3
123.08047	2.0
123.11708	2.3
125.05975	0.5
125.09580	1.1
127.03844	1.9
127.07500	0.8
129.06982	5.9
131.08563	12.2
132.08574	0.4
133.06496	1.9
133.10115	11.5
135.07997	1.7
135.11671	4.3
137.09534	1.1
139.07481	1.0
139.11179	1.1
142.07742	1.7
145.04904	1.6
145.10106	1.5
147.08049	2.6
147.11673	11.0
149.09615	5.7
149.13249	14.5
151.11172	0.8
153.01724	0.5
157.10107	9.3
159.11674	6.5
163.05986	1.7
163.11160	0.8
165.09120	0.4
165.12688	1.6
167.06970	0.5
175.09769	0.8
175.11163	10.3
177.12682	3.7
177.51755	0.4
193.12224	28.2
195.13788	5.5
196.95923	0.4
211.13271	31.1
212.13686	0.7
213.14694	0.8
227.12773	0.5
249.14743	0.6
267.15884	32.1
269.17447	55.6
270.17801	1.3
285.16931	28.2
286.17245	0.5
401.57889	0.5
417.25790	0.4
429.20938	0.4
435.27551	3.0
443.27686	1.1
461.28943	82.8
462.29346	2.9
479.29990	100.0
480.30283	4.3
502.41370	0.4
605.33588	0.5
623.34399	2.0
741.34167	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	7.0
65.03946	1.2
67.05505	6.8
69.03417	5.1
69.07065	2.7
69.82336	4.4
69.82752	2.5
73.02909	6.4
75.39993	1.0
79.05491	4.9
81.03422	2.9
81.07049	9.0
83.04984	1.6
84.23850	1.0
84.90910	1.0
85.02906	7.7
85.12257	0.9
91.03954	4.3
91.05506	3.1
93.07052	5.9
95.04955	2.3
95.08606	6.9
97.02888	7.2
99.04430	1.5
101.02385	2.6
105.07037	3.3
107.08603	3.8
109.02897	1.4
109.10175	1.9
119.08591	1.9
121.10169	2.9
123.11725	1.4
127.03893	2.4
131.08595	1.9
133.10196	1.3
135.11757	1.5
135.89275	1.1
145.10106	1.6
150.17902	1.0
159.11734	1.1
184.07343	1.3
243.08533	3.3
333.20413	3.4
389.23117	1.6
439.19342	2.1
453.21127	2.2
488.40131	1.1
519.29175	9.6
551.28180	5.8
731.42645	1.1
829.50635	100.0
830.51532	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	835.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.34016	0.5
65.03935	1.4
67.05499	0.5
68.99781	4.3
71.60289	0.9
79.05482	2.2
81.03430	0.6
85.02910	0.8
87.38375	0.5
91.05477	6.4
93.03405	0.7
95.04961	7.7
103.05463	0.7
105.03370	0.6
105.04516	0.7
105.07023	1.0
107.04945	100.0
108.05283	1.0
109.02840	0.9
111.00795	3.3
111.04440	2.3
115.05468	1.0
119.04932	55.4
121.02867	5.4
123.04414	32.1
127.03897	4.8
129.06955	0.7
131.04904	2.0
133.06482	5.8
135.04398	3.2
137.02328	1.2
137.05978	1.0
139.03891	22.4
141.06929	0.7
143.04961	0.7
145.06487	9.5
147.04396	45.6
148.04796	0.4
149.02325	7.7
149.06088	0.6
151.03886	12.9
153.01826	1.1
153.07028	0.8
157.06491	4.2
159.04405	1.2
159.08043	1.2
161.05960	6.3
163.03879	6.9
164.04663	0.5
165.01819	1.6
165.05473	3.7
165.06950	0.9
167.03398	11.3
169.06490	1.5
171.04385	9.5
171.05679	0.9
171.08066	1.1
173.02342	0.5
173.06009	0.8
175.03911	1.9
176.04655	1.0
177.05560	2.2
179.03394	8.1
179.06990	0.8
181.05000	0.9
181.06488	2.4
183.08052	0.7
185.05943	5.0
187.03961	2.8
187.07536	2.3
188.04633	0.5
189.05473	7.9
190.02629	1.2
191.03378	7.7
193.04956	1.8
195.08186	0.6
197.05963	2.9
199.03868	0.6
199.07510	3.4
201.05473	2.4
203.03378	7.5
203.07054	1.6
205.05043	0.5
207.06464	1.6
211.07552	1.1
213.05470	5.2
215.03433	3.0
215.06921	2.7
216.04185	1.2
217.04994	1.8
219.02960	0.7
223.02332	1.6
225.05461	0.9
227.06950	4.5
229.04965	3.2
231.02820	1.2
231.06493	43.2
233.04393	3.5
235.07494	0.8
237.05421	0.6
239.07010	3.0
241.04996	2.1
242.05740	1.4
243.02777	1.4
243.06503	10.7
244.03654	5.1
244.07323	1.3
245.04430	16.6
245.08067	3.5
247.06073	1.6
249.05527	0.6
251.05283	0.7
253.04962	1.2
255.06496	15.3
257.04456	10.0
257.07837	2.4
258.04993	0.6
259.05972	0.8
267.06494	10.6
268.07178	0.5
269.04471	4.4
269.07840	0.9
271.06012	5.0
273.04272	1.7
273.07544	33.3
274.04712	9.8
274.07642	0.4
275.05487	7.5
275.08521	0.9
279.06586	2.0
281.04498	1.4
281.08139	1.1
283.06046	1.3
285.03964	6.2
285.07596	11.8
286.04630	1.5
287.05447	14.5
291.08627	16.6
295.06021	1.8
297.03989	2.3
297.07581	2.6
299.05496	5.7
303.04990	3.0
303.08624	1.9
307.06003	2.7
309.03922	1.7
311.05646	1.3
313.07111	1.5
315.05118	1.0
315.08432	1.1
317.07703	0.6
319.05933	0.5
321.04034	0.7
321.07553	0.9
323.05566	1.0
323.09085	1.0
325.07303	0.9
327.04990	0.6
331.09384	0.7
335.09189	0.6
339.05142	0.7
345.07584	1.6
347.09113	0.6
349.07077	1.6
349.10797	0.8
351.05270	2.8
359.09244	0.8
361.06970	1.4
363.04755	0.7
363.08658	4.4
367.08154	4.2
373.07092	1.7
375.08682	1.7
377.10184	6.7
379.08148	2.0
380.08972	1.1
381.09796	0.6
385.06766	0.9
387.08344	0.6
391.08029	20.1
393.05914	2.0
393.09927	14.2
395.11304	3.8
401.10181	2.8
403.08057	6.9
403.12860	0.7
405.05356	3.6
405.09964	1.5
407.98746	0.9
409.09109	14.7
409.14264	0.8
411.10754	11.2
417.05939	0.6
419.11246	5.1
421.09128	16.4
421.14832	0.9
423.10873	1.7
427.10260	3.3
433.09039	3.0
435.11118	0.8
437.12280	1.6
439.10333	1.4
485.12314	1.9
497.12045	0.7
499.13956	0.7
503.13245	1.7
509.12708	2.4
511.10175	2.9
527.13672	2.6
529.11200	2.6
539.13208	0.5
541.11365	1.1
545.15356	3.0
555.12701	0.6
563.15503	6.6
663.15076	1.1
681.15918	3.6
689.00928	0.5
689.99689	2.2
699.16351	0.7
860.74622	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02363	0.6
69.03431	2.0
70.72204	0.5
71.04980	0.7
72.75613	0.2
78.04700	0.4
81.03413	5.7
84.09579	0.2
85.02897	0.3
86.09702	0.3
89.03913	7.7
91.05483	0.9
97.02887	2.3
99.04439	0.6
103.05461	0.6
105.06958	0.3
106.04161	0.4
108.04487	1.4
109.02873	4.3
117.03374	23.6
119.04935	0.3
121.06524	0.4
123.04455	0.4
127.03935	1.2
134.03635	1.5
135.04407	2.2
145.02837	58.7
146.03174	0.9
147.04379	0.9
149.05966	8.0
153.01836	2.5
157.02843	0.4
158.05992	0.7
162.03154	0.2
163.03894	0.9
167.07063	0.5
175.03909	0.5
177.05458	100.0
178.05788	0.8
185.02295	0.4
186.05493	3.0
187.03905	2.0
191.81963	0.2
195.06509	1.0
203.03387	1.1
211.09549	0.2
213.01778	1.0
215.03375	1.8
229.01178	0.3
230.02077	0.4
231.02870	8.2
241.01378	1.5
247.02470	0.5
257.00772	0.4
259.02368	14.3
260.02780	0.4
273.13354	0.2
275.01804	1.2
276.02637	1.8
277.03418	44.1
278.03659	0.7
285.00330	0.7
289.03336	0.6
303.01340	7.3
303.04767	0.5
305.02948	1.1
315.01291	0.4
321.02280	1.5
321.09650	2.7
328.99200	0.9
331.00836	2.9
339.10651	0.9
349.01913	0.7
355.04477	0.3
365.02829	0.3
367.04376	0.2
383.03876	0.4
385.05630	0.2
393.02298	0.5
411.03387	1.6
429.04562	2.2
641.11328	18.8
642.11517	0.7
668.41278	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.95023	0.6
61.02920	5.9
67.05505	5.6
69.03424	3.7
69.07053	1.7
71.59404	1.2
73.02908	3.2
79.05491	2.7
81.03415	2.0
81.07056	6.5
83.04973	1.7
83.08620	0.8
85.02899	8.5
91.03952	4.0
91.05479	1.9
93.07035	5.0
95.04971	1.5
95.08611	2.6
97.02872	5.6
97.06547	1.0
99.04447	1.2
99.08069	0.8
101.02384	2.0
102.99302	0.7
105.07046	1.9
107.04977	0.8
107.08596	3.4
109.02892	1.1
109.10204	0.7
111.08013	1.0
117.07056	0.7
121.10150	2.4
123.04449	0.9
127.03941	2.8
131.08649	1.2
133.10139	1.3
135.11743	0.8
147.04417	1.1
149.13287	3.1
159.11748	1.8
177.12686	0.7
187.11195	0.7
188.77765	0.8
195.13858	1.1
203.05321	1.5
205.59709	0.8
235.13016	2.0
243.08447	1.7
246.54448	0.7
291.15689	1.6
347.09613	2.1
365.10461	1.2
405.13708	5.2
453.20917	16.5
615.26190	15.9
665.35162	2.7
827.40277	100.0
828.40302	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	827.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	9.1
65.03955	0.3
65.34843	0.3
67.05168	0.5
67.05505	8.1
69.03424	6.3
69.07069	2.9
69.40381	2.1
69.40799	0.9
71.01349	0.9
71.04967	0.8
73.02917	6.0
75.50783	0.3
79.05494	6.0
81.03412	2.6
81.07053	7.8
83.04972	0.7
83.08614	1.2
85.02903	8.6
87.04501	0.4
89.06402	0.3
91.03949	5.3
91.05479	3.2
93.07039	6.0
95.04965	0.9
95.08605	5.3
97.02891	8.3
97.06543	0.3
97.10155	1.9
99.04465	1.5
101.02380	3.0
103.03914	0.4
105.07043	2.5
107.04972	0.4
107.08597	3.4
109.02882	1.2
109.06597	0.3
109.10151	2.3
115.03952	0.6
117.07066	0.6
119.08564	1.8
121.10117	2.7
123.08109	0.4
123.11723	0.4
125.09646	0.9
127.03892	2.3
131.08563	1.8
133.10152	1.7
134.54781	0.3
135.08005	0.3
135.11728	1.5
144.09296	0.4
144.79990	0.4
145.04947	0.6
145.10187	1.0
147.08049	0.3
147.11700	0.8
149.13249	0.7
157.10231	0.3
159.11751	0.6
159.46074	0.3
173.13353	0.6
184.07440	0.4
185.04352	1.6
200.73775	0.3
203.05261	0.7
223.13449	1.1
241.06815	0.3
243.08417	5.7
243.10760	0.5
261.22156	0.3
291.19617	1.3
301.09265	0.4
331.18872	3.0
335.25949	1.0
366.54199	0.4
387.21649	0.6
422.12149	0.3
447.30627	0.3
519.29272	11.6
549.26648	4.3
827.49097	100.0
828.49158	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	826.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02377	0.4
63.37641	0.2
65.03942	0.5
67.01856	0.4
69.03423	4.5
69.78574	0.3
69.78979	0.9
70.06580	0.8
71.04986	0.5
71.05561	0.2
79.01839	1.1
81.03410	21.8
82.03722	0.3
83.01343	0.5
83.04973	0.3
84.04494	0.5
85.02891	1.8
92.99768	0.7
93.03388	0.5
95.01323	2.1
97.02885	2.9
98.06029	0.2
99.00799	0.4
99.04454	1.4
101.02370	0.4
107.01311	0.2
108.02110	0.2
109.02870	13.7
111.00819	0.4
111.04420	0.6
113.02336	1.1
119.01295	1.0
121.02860	1.6
123.00786	1.8
125.02361	0.9
126.05464	0.4
127.00219	0.2
127.03902	4.3
132.01125	0.2
137.02345	1.0
139.00229	0.3
139.03894	0.6
141.01831	1.3
143.03398	0.2
147.00755	0.4
147.04385	0.3
148.01389	0.2
149.02327	1.6
151.00229	1.3
153.01822	3.7
153.02876	0.2
154.99722	0.6
163.03886	0.4
165.01839	5.1
166.99747	0.5
167.03378	3.3
169.01314	1.1
171.02861	0.5
171.04359	0.2
175.00293	0.2
175.03824	0.2
176.01010	0.1
177.01819	0.7
178.99635	0.2
179.03471	0.2
181.01273	0.4
182.16272	0.2
182.99220	1.0
183.02867	0.3
185.00858	0.2
187.03925	0.3
189.01837	0.3
189.05382	0.2
191.03326	0.5
193.01308	35.6
194.01662	0.6
194.99251	0.4
195.02872	1.6
197.00775	0.4
201.01791	0.6
202.99728	0.9
203.03381	0.7
205.01299	1.1
207.02863	0.2
209.00862	0.2
211.02342	2.1
215.03313	0.3
215.25363	0.2
217.01219	0.5
217.04858	0.2
219.02887	1.5
221.00784	100.0
222.01132	2.3
225.00250	0.2
227.03384	0.2
229.01331	0.6
229.05067	0.2
231.02844	2.3
235.02299	0.2
239.01834	4.9
243.02850	0.2
244.27312	0.2
245.00859	1.1
245.04417	0.3
246.01274	0.2
247.02361	9.0
248.02673	0.3
255.02699	0.3
257.00641	0.5
257.02927	3.7
259.02319	1.6
261.03857	0.2
263.01871	1.1
267.01270	0.4
267.13449	0.2
271.02393	0.7
273.00250	1.3
273.03668	0.3
275.01834	6.0
275.04852	0.3
276.02194	0.2
277.03476	0.4
281.04318	0.2
283.02487	0.2
285.00018	0.4
285.03308	0.2
287.01895	0.6
289.03372	0.4
291.01257	0.8
295.02286	0.2
299.01486	0.3
300.99915	0.4
301.03418	0.8
302.00504	0.3
303.01315	7.0
303.04776	0.4
309.03711	0.3
315.01215	0.4
317.02902	0.4
319.00760	0.6
319.04248	0.3
327.01193	0.3
329.02997	0.3
347.04153	0.7
355.06406	0.4
357.02475	0.2
359.03409	0.2
365.05005	5.3
375.03009	0.2
383.06076	1.7
401.05176	0.3
403.02698	0.5
419.01416	0.2
419.06122	2.7
420.06454	0.2
429.04376	0.9
431.02237	1.0
433.03754	0.2
439.88782	0.2
443.69257	0.2
447.05716	1.6
449.03668	0.9
459.01852	2.0
476.96475	0.3
477.02994	5.3
478.03165	0.2
495.04550	0.8
513.04852	0.8
559.06696	0.2
575.06335	0.5
578.07434	0.6
585.04626	0.5
593.06921	0.4
603.06073	5.4
604.05896	0.4
621.07184	11.5
622.07172	0.5
638.09467	0.7
639.08221	16.8
640.08466	1.1
656.10974	0.2
731.18921	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02940	5.4
65.03935	4.5
67.05502	95.8
69.03429	10.3
69.07064	33.0
69.27941	11.9
71.04990	8.4
71.08621	1.1
73.02908	1.8
79.05489	73.4
81.03413	13.8
81.07051	100.0
83.04980	11.8
83.08611	14.7
83.45303	1.0
85.02904	5.7
85.06551	3.7
91.04893	1.3
91.05477	47.8
93.07039	81.7
95.04958	14.0
95.08598	61.6
97.02874	5.2
97.06518	11.9
97.10151	6.2
98.20700	2.3
99.04482	2.6
99.08091	3.4
103.05469	1.4
105.04510	1.4
105.07021	40.4
107.04945	8.1
107.08589	48.2
109.02921	1.2
109.06556	7.2
109.10148	24.1
111.08070	5.7
113.09635	1.5
117.07002	17.7
119.08578	30.8
121.06513	4.0
121.10139	32.7
123.08057	3.7
123.11732	8.1
125.09652	3.2
127.03911	3.6
129.05547	2.3
129.06995	3.8
130.07857	1.4
131.08562	25.6
133.06497	2.1
133.10126	26.1
133.11079	1.9
135.08034	3.6
135.11694	23.0
137.09615	2.9
139.11223	1.3
142.07715	1.5
143.08533	5.4
145.04939	1.5
145.10109	19.4
147.08069	2.2
147.11681	14.9
149.09607	11.2
149.13249	16.5
151.11165	2.4
153.09109	1.1
155.08563	2.6
157.10117	6.4
159.08125	1.4
159.11688	16.4
161.09660	1.7
161.13266	7.7
163.11212	6.9
163.14839	2.4
165.12753	1.2
169.10155	2.4
171.11685	4.2
173.04468	1.5
173.09546	1.1
173.13245	8.4
175.11223	1.7
175.14801	1.8
177.12752	4.7
178.54848	0.9
179.14275	1.1
181.12300	2.4
183.11707	1.9
184.07292	1.4
185.13239	4.8
187.11176	1.6
187.14832	3.9
189.12798	1.6
191.14256	1.8
195.13805	5.6
197.13225	2.1
199.14792	1.1
209.76340	1.0
211.14838	1.3
222.76877	1.0
227.12727	2.0
229.19362	1.7
239.17947	3.7
243.21115	4.2
247.20662	2.5
251.16272	1.5
253.14265	1.4
255.15858	13.8
257.18964	6.4
259.20660	1.6
261.22153	11.4
267.16003	1.9
269.17462	35.3
275.20078	21.7
293.20956	2.8
313.21954	1.2
315.22940	1.3
317.24768	2.8
331.22748	1.5
333.24283	2.6
335.25784	95.2
336.26065	1.7
339.18143	1.1
349.23727	20.3
367.24875	6.7
413.21863	2.1
437.34027	2.0
489.35892	1.5
515.37268	22.7
516.37067	1.7
529.38867	88.1
530.39069	3.9
539.89679	1.0
569.42236	4.8
591.43677	1.5
609.45068	24.8
610.45117	1.5
627.46167	11.0
673.43097	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	4.8
65.03928	3.5
67.05504	88.1
69.03438	4.3
69.07066	28.8
70.79553	7.5
71.04989	4.7
79.05490	64.2
81.03426	6.2
81.07055	87.2
83.04983	6.3
83.08624	18.7
85.02891	6.3
85.06524	7.2
91.04958	5.9
91.05475	61.7
93.06461	5.7
93.07037	77.0
95.04961	11.6
95.08607	66.6
97.02895	5.4
97.06519	10.6
97.10144	11.4
99.08091	8.2
105.04552	2.9
105.07021	62.2
107.04951	3.7
107.08587	51.2
109.06502	10.0
109.10146	22.6
111.08069	7.9
117.07011	41.0
119.08585	44.7
121.10142	30.4
123.08048	3.4
123.11718	7.0
125.09602	3.6
127.03889	5.5
129.07042	15.8
130.07765	3.9
131.08585	42.1
133.10127	37.2
135.11688	18.7
143.08562	17.1
145.10104	37.7
147.08072	4.3
147.11676	21.9
149.09665	6.8
149.13254	10.0
151.11223	4.4
155.08580	5.1
157.10139	18.4
159.11696	34.4
161.13252	12.6
162.27737	2.8
163.11147	6.4
169.10126	10.3
171.11668	7.8
173.13272	10.3
175.14738	4.6
177.12624	3.6
183.11748	8.3
185.13228	23.3
187.14764	3.4
189.11256	5.0
195.11725	4.1
197.13176	5.7
199.14781	3.3
201.16331	4.5
203.14275	10.2
219.17442	7.2
227.12733	5.8
229.19478	6.3
233.34807	3.4
239.17946	19.3
244.78436	3.0
257.18988	34.4
259.20590	7.2
261.22171	8.7
269.17426	4.7
275.20001	41.9
307.83664	3.5
331.22626	11.4
333.24185	4.6
335.22009	6.5
335.25812	100.0
349.23730	55.4
505.35587	4.1
515.37000	3.9
529.38873	7.8
555.40533	3.7
569.41901	3.7
609.45135	75.5
610.45135	4.2
627.45953	9.9
733.87140	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	824.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
60.37281	0.6
61.02914	4.4
65.03920	1.3
66.92462	0.8
67.05501	26.0
69.03104	0.6
69.03431	4.0
69.07066	8.4
69.50044	3.4
69.50450	1.8
71.01332	2.0
71.04977	2.9
73.02912	1.6
76.74277	0.7
79.05492	24.3
81.03416	30.8
81.07053	19.6
83.04970	10.5
83.08624	12.0
85.02902	15.3
85.06545	2.4
90.55366	0.9
91.03951	4.1
91.05474	18.5
91.06008	1.4
93.07040	28.2
95.04964	15.2
95.08608	6.3
97.02886	4.8
97.06533	7.8
97.10172	6.8
99.04446	1.2
99.08083	0.9
105.07037	11.2
107.04957	4.0
107.08589	18.8
109.02889	1.0
109.06537	3.0
109.10152	3.5
111.04433	1.8
111.08063	4.6
113.05991	1.4
115.05462	1.0
117.06993	3.5
119.04944	1.3
119.08571	10.8
121.06496	1.9
121.10131	7.1
123.04436	1.2
123.08101	1.5
125.09616	1.9
127.03939	1.9
129.07013	4.9
131.08586	5.6
133.06482	1.0
133.10112	8.2
135.08070	1.2
135.11682	30.7
137.06003	0.9
137.09605	2.5
139.03865	0.8
142.07771	1.5
145.04932	1.5
145.10114	5.6
147.04396	3.5
147.08041	2.8
147.11670	6.0
149.05989	0.9
149.09601	2.4
151.11272	0.8
153.01857	1.2
153.12781	1.3
157.10098	8.0
161.06013	1.3
163.06009	1.7
163.11157	4.6
164.06978	0.7
165.12761	1.5
167.07028	1.5
175.11194	6.5
177.05498	1.6
181.12196	5.6
182.00447	0.7
184.07301	1.2
193.10504	0.7
193.12242	20.4
196.46234	0.7
199.13300	1.4
211.13281	21.5
255.15901	82.2
256.16232	1.6
267.15912	16.7
285.10138	1.0
285.16943	17.8
373.23651	0.9
421.25876	2.5
447.27396	49.0
448.27917	1.8
465.28464	100.0
466.28769	3.8
609.32794	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	7.9
69.03436	5.7
69.44678	31.6
70.06601	3.9
79.05493	9.9
79.58498	3.3
80.05000	3.2
81.03394	10.3
81.07068	4.8
85.02900	9.2
91.05487	10.0
93.07050	10.3
94.06568	20.1
95.04977	5.2
95.07343	3.8
95.08606	4.6
96.08148	16.1
96.30272	3.0
97.02868	6.0
105.07008	8.6
107.04936	6.1
107.07347	9.0
108.08108	35.8
109.02872	10.0
110.09670	18.9
119.04895	3.9
120.08100	36.0
121.02840	3.5
121.06506	10.6
122.06033	20.6
122.09642	30.6
123.04414	10.5
124.07572	4.9
127.03907	12.0
131.07285	7.4
132.08113	4.6
133.06462	4.9
133.10109	3.6
134.09619	7.8
136.07571	37.1
138.09131	66.9
139.03886	9.6
144.08073	3.8
145.06503	3.5
146.09630	9.3
147.04341	15.6
148.07542	15.6
150.09131	24.7
151.03870	18.8
153.01826	14.5
158.09616	4.7
160.07599	7.1
161.05948	5.5
161.37759	3.0
162.09151	7.1
163.03911	6.6
164.07088	9.3
166.08647	30.9
167.07126	7.5
168.10126	4.6
170.09698	4.7
174.09157	53.9
176.10541	3.3
177.05415	4.7
180.10191	13.5
181.04991	6.1
186.09169	9.7
187.08672	4.1
188.07088	5.0
188.10809	3.3
190.05009	3.7
190.08548	3.6
192.10176	30.5
198.09178	6.1
200.07132	4.0
200.10822	5.0
201.10178	15.1
202.08633	14.2
204.06563	4.7
204.10173	22.9
209.08023	3.2
210.11307	3.1
212.07042	3.2
213.10202	7.2
215.08128	6.9
215.11723	5.5
216.10378	3.4
220.09644	11.2
225.10214	9.1
227.08102	15.5
227.11868	7.3
228.10306	7.3
229.09679	21.3
230.11702	9.9
237.10229	9.3
239.11874	8.7
240.10240	5.9
241.09724	11.6
242.08180	4.4
242.10535	3.7
243.11328	10.8
246.11336	7.3
248.09258	6.2
249.10269	6.0
250.10876	7.7
251.08002	5.7
251.11888	10.4
253.09668	17.9
255.11197	16.9
263.11774	9.9
265.09763	6.6
265.13208	4.2
267.11337	21.4
269.09222	4.5
271.10754	15.9
275.01831	10.1
279.11285	9.9
281.09274	11.9
281.12689	3.7
282.10144	5.6
283.10696	9.6
285.12384	6.2
287.10098	4.0
289.11877	14.4
293.09143	3.9
295.10831	15.1
297.12296	11.3
299.10110	5.8
301.11761	4.7
303.08490	23.3
303.13516	4.5
307.10785	6.3
309.12173	23.3
311.10104	5.8
313.11789	15.2
315.13489	4.3
319.10559	6.4
323.10065	5.1
325.11871	9.1
327.13342	6.5
331.13196	4.4
337.11700	9.7
343.12839	10.2
345.15240	4.0
346.15155	4.0
355.12827	22.7
356.14252	4.8
357.14380	11.0
359.14972	4.9
361.13940	4.5
369.14380	16.5
373.14020	7.5
385.14288	6.0
387.15421	23.9
399.16678	3.6
415.15091	8.8
431.16193	5.0
432.19376	4.6
433.16129	7.2
445.16019	4.1
447.17612	7.4
457.16443	7.1
458.16870	4.0
463.17538	4.5
476.17792	4.6
481.70825	3.6
487.17145	4.9
490.19263	7.1
494.19275	6.1
496.20660	20.4
508.20743	66.8
520.20673	5.7
522.22058	6.4
554.21381	6.1
586.23920	16.2
598.23529	6.4
620.22192	4.1
624.22308	6.1
635.22662	4.1
636.94611	3.5
640.25122	5.7
643.27393	4.5
656.24133	7.7
661.28052	10.9
665.23206	12.1
667.24896	100.0
668.24377	7.2
691.27020	5.0
709.28156	6.7
723.30396	6.0
727.29364	10.5
741.30768	6.4
745.30072	11.8
751.28912	4.0
755.28638	11.3
756.26971	8.5
759.31921	8.7
769.31116	4.6
773.30267	28.8
777.32855	11.0
787.31628	30.5
788.30084	48.2
791.30762	10.7
805.32581	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	822.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03179	0.8
57.03438	9.6
57.07058	1.3
59.05006	0.8
61.02913	1.3
65.03932	2.0
67.05502	57.0
69.03429	9.0
69.07066	32.2
69.07455	0.9
69.45071	1.0
69.45471	3.8
71.04980	3.3
75.85109	0.4
77.03929	0.7
77.27065	0.4
78.85476	0.4
79.05492	40.0
80.05855	0.5
80.23315	0.4
81.03422	4.7
81.07055	49.1
83.04983	4.4
83.08617	11.4
85.02908	1.5
85.06547	1.7
86.09704	1.9
87.04454	0.5
91.03963	0.7
91.05478	24.3
91.63219	0.4
93.03429	0.5
93.07043	38.8
94.07402	0.5
95.04364	0.4
95.04966	8.5
95.08605	33.2
96.08969	0.6
97.02892	9.0
97.06527	4.3
97.10163	11.8
97.10764	0.7
100.19419	0.4
103.05507	0.7
105.04505	0.8
105.07030	17.4
107.04958	6.7
107.08594	22.3
109.02870	0.4
109.06515	3.1
109.10152	16.0
111.04482	0.5
111.08099	2.2
115.05461	0.9
116.06236	0.7
117.07017	9.0
119.04960	1.2
119.08576	13.8
121.06510	2.9
121.10146	14.2
123.08070	3.6
123.11690	3.4
124.99988	0.9
125.09616	8.4
127.07549	0.4
128.06212	0.7
129.06995	3.3
130.07825	0.6
131.08562	11.6
132.05676	0.5
133.06522	2.8
133.10123	8.7
134.07288	1.1
135.08054	2.9
135.11682	7.2
137.09636	2.4
137.13200	1.0
139.11177	0.8
142.07764	0.7
143.08537	3.2
145.06421	0.6
145.10126	7.8
147.08041	4.6
147.11678	4.5
149.09671	2.0
149.13249	3.8
151.11203	1.0
153.09108	1.4
153.12787	0.8
155.08562	0.6
157.10112	2.7
158.10822	0.5
159.08038	0.9
159.11684	5.0
161.09607	2.0
161.13268	3.2
162.10440	0.6
163.11198	1.8
163.14806	1.8
165.09131	1.5
165.12891	0.6
169.12346	0.5
171.10324	0.6
171.11670	2.0
173.09666	0.5
173.11963	0.6
173.13269	2.6
175.11194	1.8
175.14870	0.9
177.12794	1.4
177.16365	0.9
181.10196	0.5
184.07341	5.1
185.09659	0.8
185.13347	1.0
187.11110	0.5
187.14796	1.2
189.11194	4.1
189.12708	0.5
193.12270	1.2
195.11850	0.5
195.13792	1.3
197.13254	0.8
199.14821	0.7
203.17661	0.4
205.12248	1.6
211.13281	0.8
213.14815	0.5
223.13281	18.4
227.12727	3.7
227.17801	0.5
233.22701	0.7
243.21138	2.7
245.13667	0.6
245.19133	1.1
249.14937	2.9
255.17552	0.7
261.22137	8.4
263.20081	0.8
267.15833	0.8
273.16003	0.3
273.18515	10.9
291.19528	91.4
292.19980	2.2
309.20572	0.9
317.24738	3.1
329.21188	0.5
335.25787	97.2
336.26050	2.9
347.22229	1.7
365.23218	52.4
366.23615	1.9
451.08426	0.5
470.75299	0.5
505.35028	0.9
545.38495	4.0
551.40833	0.9
557.37823	0.6
606.24390	0.5
607.43176	2.3
625.44604	100.0
626.44598	5.1
643.45697	0.7
843.02740	0.5
853.64899	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	20.5
57.07070	2.6
59.05001	6.0
61.02927	4.8
65.03938	3.2
65.08771	2.2
67.05504	100.0
67.10418	1.8
68.05826	2.6
69.03435	11.0
69.07066	36.7
70.13966	7.7
71.01371	3.5
71.04991	14.8
73.02902	2.3
79.05490	60.5
81.03415	94.3
81.07054	76.8
82.03750	2.4
83.04980	13.7
83.08607	25.3
85.02901	12.7
85.06539	5.9
87.04443	5.4
91.05478	59.0
93.07040	48.6
94.07378	2.8
95.04968	41.9
95.08601	44.4
97.02917	5.7
97.06534	14.3
97.10175	13.3
99.04440	5.4
99.08092	3.3
105.07033	39.2
107.04946	15.8
107.08581	30.6
109.02897	3.1
109.06511	10.9
109.10156	39.9
111.04427	6.0
111.08063	12.7
115.05429	3.2
117.07016	17.1
119.08588	37.0
121.06532	7.2
121.10146	25.0
123.04503	3.1
123.08067	11.9
123.11711	3.3
125.09624	15.0
127.03942	2.9
129.06998	16.1
131.08553	22.7
133.06467	5.0
133.10138	22.1
135.08035	9.4
135.11679	16.3
137.06026	1.9
137.09619	11.2
140.61922	2.0
142.07751	2.8
143.08603	7.1
145.06473	4.2
145.10149	15.6
147.08043	7.5
147.11693	15.9
149.09599	22.6
149.13316	3.5
151.11189	5.9
155.08514	5.4
157.10121	19.8
159.08086	2.2
159.11690	9.2
161.09666	3.3
161.13261	2.3
163.11176	15.1
165.12741	2.2
169.10080	3.3
171.11708	6.6
173.09657	2.7
173.11784	9.7
173.13196	3.6
175.11157	15.3
177.12732	3.4
181.12260	2.6
183.11684	3.7
187.11186	2.3
189.11195	4.3
189.12775	3.4
193.12245	39.4
195.13756	4.0
197.13179	2.5
199.13251	3.1
211.13303	4.2
215.14391	2.6
217.12308	2.5
223.13249	3.4
225.14748	4.0
227.12691	12.0
229.14346	35.9
231.13962	2.2
241.14322	2.3
243.15950	8.1
247.65666	2.2
249.14906	3.7
255.15897	11.5
257.18973	3.8
259.15482	4.8
267.15921	91.4
269.17493	8.3
270.17230	2.1
273.18649	5.0
275.20065	11.1
283.15350	2.0
285.16925	2.8
291.19537	6.9
307.27579	2.4
309.16779	2.2
315.18118	4.4
329.21130	6.0
349.23727	14.9
365.23206	3.8
403.24759	3.3
421.25821	30.3
423.27466	3.7
429.26120	3.1
435.27420	10.4
445.29419	2.2
447.27335	22.2
461.29013	4.9
463.30399	7.6
467.29987	3.0
477.28662	3.2
541.35242	32.7
559.36414	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	822.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.5
57.07064	1.2
61.02920	4.2
65.03927	0.5
67.05501	20.8
69.03424	1.4
69.07064	7.2
71.04997	2.0
71.59686	0.5
71.60061	0.3
72.23019	0.3
73.02902	1.8
75.60814	0.3
77.03915	0.5
79.05489	14.9
81.03419	3.5
81.07050	32.3
83.04988	2.5
83.08616	6.4
85.02419	0.4
85.02902	5.8
85.06526	1.7
86.09702	0.3
91.03951	3.5
91.04892	0.4
91.05471	10.4
93.07037	21.3
95.04966	3.8
95.08601	9.3
97.02892	3.2
97.06518	4.6
97.10150	1.1
99.04441	0.7
99.08071	1.2
105.07027	5.3
107.04945	0.6
107.08587	12.5
109.06515	1.9
109.10152	2.8
111.08082	2.6
111.11675	0.3
113.05924	0.4
115.05399	0.4
117.06226	0.3
117.07014	4.6
119.04924	0.3
119.08575	3.0
121.06479	1.4
121.10126	6.1
123.08047	0.7
123.11684	1.6
125.09634	0.6
127.03906	1.5
129.05438	0.4
129.07010	1.7
131.04819	0.3
131.08554	6.0
133.10117	7.3
133.11082	0.6
135.08055	1.4
135.11676	4.5
139.11176	0.4
141.06912	0.4
143.08575	1.2
145.04887	1.3
145.10098	2.1
147.04414	0.8
147.08046	0.5
147.11678	1.5
149.09695	0.6
149.13249	11.1
151.11177	0.8
153.01895	0.7
155.08615	0.7
157.10123	1.2
159.08127	0.3
159.11682	5.9
161.09555	0.4
161.13245	0.4
163.06018	1.2
163.11215	0.4
165.12738	0.3
167.07104	0.4
169.10092	0.6
171.11684	0.5
173.09613	0.4
173.13228	0.4
175.11189	0.8
177.05490	0.4
177.12755	2.8
181.10130	0.5
183.11694	0.6
185.13246	0.4
187.14815	0.3
193.12309	0.6
195.11896	0.6
195.13766	6.2
197.13338	0.4
204.78563	0.4
209.13303	0.5
211.14844	0.4
213.14890	1.1
217.15889	0.3
223.14903	0.3
227.12668	0.4
229.14209	0.3
251.16342	1.6
255.17378	0.3
267.15897	1.9
269.17462	21.6
270.17944	0.5
273.18381	0.3
291.19565	0.7
335.23483	0.4
343.26273	0.5
353.24582	1.5
363.80109	0.3
371.25873	1.2
377.19559	0.3
389.26743	1.0
395.20700	0.4
413.21790	0.7
417.29749	0.4
427.28403	1.0
438.71307	0.3
445.29465	14.5
446.29395	0.4
463.30515	100.0
464.30786	3.1
477.28207	0.5
481.31808	0.8
487.30356	0.4
519.88800	0.3
539.33807	0.3
557.26599	0.4
557.34845	1.6
571.32684	0.3
575.35632	1.0
589.33783	1.0
607.34766	8.1
608.34894	0.5
625.35675	0.4
742.66260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03182	0.4
57.03435	4.8
57.07066	0.7
61.02925	3.8
64.90648	0.3
65.03924	0.8
67.05500	28.4
69.03413	0.9
69.07066	9.6
69.07447	0.5
70.35497	1.3
71.04985	2.4
73.02904	1.4
76.05907	0.3
79.05487	15.3
80.48666	0.3
81.03428	2.3
81.07051	36.4
82.07391	0.5
82.48822	0.3
83.04974	3.0
83.08615	7.7
85.02900	5.2
85.06548	1.9
87.04440	0.4
91.03957	3.5
91.05473	8.4
92.05790	0.3
93.07036	26.6
95.04964	3.2
95.08598	9.9
97.02868	2.3
97.06528	5.6
97.10141	0.8
98.21422	0.3
99.04456	0.7
99.08085	1.5
104.77010	0.3
105.07018	4.2
107.04959	0.7
107.08585	15.1
109.02835	0.5
109.06499	1.3
109.10157	2.5
111.08065	3.5
111.11711	0.5
113.09689	0.3
117.07008	4.7
119.04919	0.3
119.08572	1.6
121.06507	1.1
121.10134	8.5
123.08088	0.4
123.11690	2.0
125.09603	0.7
127.03938	1.7
127.07503	0.4
129.06937	0.4
131.08554	5.3
131.84274	0.3
133.10129	5.9
135.08052	1.3
135.11678	5.9
139.11176	0.9
145.04980	1.1
146.87831	0.3
147.04431	0.4
147.11664	0.9
149.09636	0.9
149.13246	15.5
151.11217	0.8
157.10065	0.6
159.11671	7.0
163.06024	0.9
165.12738	0.4
167.14374	0.4
177.12729	3.3
195.13797	6.7
213.14909	0.8
229.14355	0.5
251.16438	0.7
267.15863	0.4
269.17456	32.5
270.17923	0.6
275.19882	0.4
339.82489	0.4
413.21332	0.6
445.29520	1.0
463.30502	100.0
464.30762	4.3
607.34729	2.6
810.83716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03147	0.2
57.03430	4.3
57.07067	0.7
59.95474	0.2
61.02918	2.8
65.03925	0.5
66.57098	0.2
67.05498	23.3
69.03426	0.7
69.07062	7.8
71.01357	0.5
71.04984	1.9
71.08617	0.4
71.60772	0.3
73.02890	1.3
79.05483	12.3
81.03427	1.4
81.07047	31.0
82.07362	0.3
83.04971	2.6
83.08607	6.2
85.02890	3.5
85.06531	1.8
87.04475	0.3
91.03946	2.4
91.05465	6.2
91.06001	0.4
93.07034	22.9
95.04950	2.0
95.08597	7.8
95.09228	0.2
97.02887	1.9
97.06518	4.3
97.10165	0.7
99.04469	0.4
99.08096	1.1
105.07017	2.5
107.04961	0.3
107.08582	13.4
109.02888	0.3
109.06496	1.0
109.10154	1.3
111.04416	0.3
111.08068	3.3
113.05977	0.4
113.09631	0.5
117.07008	3.4
119.08537	1.0
121.06508	0.8
121.10130	8.5
123.08074	0.4
123.11709	0.9
125.09633	0.5
127.03896	0.8
127.07567	0.4
131.08537	3.6
133.10124	3.6
135.08044	0.9
135.11673	4.2
139.11156	0.7
145.04955	0.9
145.10017	0.2
147.04391	0.2
147.11688	0.8
149.09604	0.5
149.13240	15.4
151.11200	0.4
153.09091	0.3
157.10114	0.3
159.11678	7.6
159.13023	0.4
163.06020	0.9
165.12779	0.3
167.14316	0.4
177.05562	0.2
177.12735	3.2
195.13779	5.2
195.15477	0.4
199.36693	0.2
213.14882	0.8
225.12512	0.2
229.14026	0.2
251.16463	0.8
269.17447	40.0
270.17871	0.6
270.67316	0.2
433.89780	0.2
439.90723	0.2
445.29391	0.7
463.30493	100.0
464.30933	2.4
607.34436	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	5.1
57.07064	1.1
59.04988	1.0
60.85384	0.3
61.02921	5.3
65.03922	1.2
67.05501	29.1
69.03436	1.6
69.07063	10.4
69.07444	0.4
71.04993	3.6
71.08611	0.5
73.02908	2.3
79.05487	17.3
81.03420	4.2
81.07052	43.0
82.07386	0.3
83.04977	2.8
83.08609	9.5
85.02413	0.6
85.02899	7.4
85.06546	2.0
87.04468	0.5
87.81405	0.3
91.03947	4.5
91.05470	13.3
93.07038	25.9
95.04966	3.5
95.08598	10.3
96.04498	0.4
97.02887	3.8
97.06514	5.5
97.10150	1.8
98.20773	0.7
99.04451	0.9
99.08083	1.5
105.04517	0.3
105.07024	4.8
107.04977	0.8
107.07860	0.8
107.08585	15.8
109.02877	0.4
109.06508	1.6
109.10163	3.0
111.04430	0.4
111.08062	3.4
115.03907	0.5
117.07008	6.1
119.08569	2.3
121.06494	1.3
121.10125	7.1
123.08041	0.5
123.11682	2.9
125.09673	0.9
127.03906	2.3
127.45196	0.4
129.05522	0.7
129.07011	0.7
131.08569	6.4
133.09143	0.4
133.10117	9.8
133.11072	0.7
135.08040	1.4
135.11700	5.7
139.07558	0.6
143.08540	0.4
145.04953	1.3
145.10146	0.8
147.11673	1.2
149.09604	1.4
149.12025	0.6
149.13242	10.5
150.13522	0.3
151.11162	1.3
157.08708	0.3
157.10089	0.7
159.11691	6.4
163.05989	1.9
163.11176	0.3
167.14267	0.5
175.11220	0.3
175.61945	0.3
177.12704	2.6
184.07295	0.5
195.13803	8.5
213.14891	1.3
227.12776	0.6
229.14316	1.2
229.26990	0.4
251.16342	2.4
267.15964	0.8
269.17462	37.5
270.17780	0.8
285.17014	0.5
301.16516	0.5
339.18106	0.4
413.21701	0.6
421.25995	0.5
445.29480	3.2
463.30518	100.0
464.30911	3.4
575.57947	0.3
589.33722	0.4
607.34564	3.2
848.81982	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	18.8
57.07065	1.4
59.04980	0.9
60.87365	0.6
61.02923	71.2
65.03944	1.3
67.05501	26.9
69.03427	26.5
69.06750	0.9
69.07066	6.3
70.04878	2.8
70.06585	1.3
71.01353	3.8
71.04981	5.1
73.02914	20.1
73.06553	0.7
75.04465	1.0
79.05057	1.2
79.05492	19.2
81.03416	20.1
81.07054	29.4
83.01340	1.4
83.04968	4.3
83.08621	3.5
85.02901	100.0
87.04459	3.0
88.07641	1.8
91.03952	51.1
91.05473	13.5
91.06004	1.0
91.56235	0.5
93.07039	20.9
95.04976	4.9
95.08139	0.5
95.08602	22.9
97.02888	71.6
97.06522	2.0
97.10177	1.6
99.04457	10.3
99.08086	0.6
101.02374	5.2
102.09184	1.4
103.03939	9.2
105.07028	11.4
107.04974	1.2
107.08593	14.4
109.02868	10.5
109.06517	1.9
109.10159	11.3
109.10822	0.3
111.04460	2.4
111.08089	1.0
115.03940	6.0
115.05477	0.7
117.05499	2.6
117.07011	4.2
119.08566	8.8
121.02837	0.7
121.06474	0.6
121.10135	12.7
123.08104	0.8
123.11705	4.5
125.09646	0.9
127.03915	34.6
129.05504	3.9
129.07007	2.2
131.08562	8.2
131.41045	0.5
133.06546	0.7
133.10109	8.1
135.11703	7.8
137.05998	1.0
137.09599	1.4
137.13232	1.4
139.03929	1.1
139.11247	0.8
141.05481	0.9
143.08600	2.6
145.04951	27.2
145.10127	6.7
147.06580	0.8
147.08015	0.8
147.11676	5.5
149.02347	6.3
149.09651	1.2
149.13272	4.5
151.11214	0.9
155.08551	0.8
157.10149	2.3
159.06560	2.5
159.11667	5.7
161.13269	4.0
163.06012	20.2
163.07376	1.0
163.11174	1.0
163.14784	2.8
165.12830	1.1
169.05063	0.7
169.10178	1.0
171.06572	1.8
171.11697	2.2
173.04480	0.8
173.09668	1.3
173.13252	4.4
175.11246	0.9
175.14833	1.5
177.05374	0.7
177.16428	1.2
183.06525	8.0
183.08008	0.8
183.11684	0.8
184.07393	0.7
185.13301	2.1
187.11278	0.8
187.14827	2.7
189.12759	0.7
193.04997	3.9
197.13251	0.9
199.14838	0.7
201.07550	6.3
201.16432	1.3
203.14366	0.7
204.08713	0.8
209.13341	0.8
211.14828	1.1
213.12788	0.7
213.16371	0.7
215.14435	0.7
219.08693	1.9
225.16295	0.6
228.23228	4.1
229.07133	1.0
233.22693	0.6
241.19408	0.9
243.21071	3.8
259.20615	2.3
261.22134	12.7
267.16040	0.9
271.20706	0.7
273.22125	0.9
277.21686	2.0
279.23264	1.3
285.22195	1.7
297.22189	0.7
299.23816	0.8
301.21579	1.4
303.23212	2.9
309.21988	0.6
315.23306	2.2
317.24631	1.2
319.22931	0.9
319.26541	0.6
323.23679	0.8
327.23190	2.3
327.47498	0.7
333.24603	1.1
335.25797	50.5
336.25992	1.1
339.23087	0.7
341.25064	1.4
345.24149	1.5
351.23328	2.5
353.26892	1.4
363.25336	2.3
365.26840	0.7
369.24185	4.2
375.25229	1.1
377.26855	4.4
387.25363	2.2
389.26874	1.3
405.26331	2.6
419.28052	1.2
423.27707	0.7
425.27084	0.7
431.27924	1.3
443.27930	6.2
461.28918	6.5
479.30026	12.0
497.31140	3.5
642.37476	0.7
731.23267	0.8
822.36761	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	818.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.4
65.03931	0.2
67.05486	1.1
69.03423	5.9
69.07047	0.4
70.06580	0.7
70.07520	0.7
70.07935	0.4
71.04985	1.2
75.04476	3.3
77.03915	0.5
79.05486	6.8
80.05008	0.6
81.03410	8.6
81.07047	2.7
83.04949	0.2
85.02901	0.9
86.09671	0.2
87.29126	0.2
91.04890	0.2
91.05471	8.3
93.07034	37.6
94.07384	0.4
95.04963	3.3
95.08610	1.6
96.04471	0.5
97.02885	4.0
97.06528	0.6
99.04452	1.5
101.86557	0.2
103.05431	0.9
105.04530	0.5
105.07025	4.3
107.04948	0.5
107.08582	4.0
108.04474	3.2
109.02864	5.2
109.05244	0.3
109.06493	0.6
110.07185	0.2
111.04443	0.4
111.08075	2.5
113.05989	0.2
116.06234	0.5
119.04961	0.4
119.08561	1.8
121.06536	0.9
121.10132	30.4
122.10461	0.4
123.04430	0.5
123.08083	1.2
123.11710	0.7
125.05949	0.4
126.05454	0.2
127.03906	3.0
129.03387	0.2
129.06952	0.3
131.04944	0.3
131.08562	2.8
133.06554	0.2
133.07544	0.4
133.10045	0.2
137.06050	0.2
139.03867	0.2
139.11183	2.0
143.03409	0.2
144.06520	0.5
147.04376	1.2
147.08034	0.6
149.09604	10.3
151.03851	0.3
153.01796	1.7
157.02902	0.3
157.29422	0.2
159.04390	0.3
167.07092	0.2
167.10674	2.1
168.69373	0.2
173.02359	0.2
175.03920	1.3
175.07529	0.6
177.05544	0.4
185.02359	0.7
187.03880	2.9
191.03328	0.5
201.01830	0.5
202.02609	0.3
203.03392	2.2
213.01811	2.1
215.03368	3.2
219.02934	0.3
229.01318	0.5
230.02058	0.4
231.02861	13.8
241.01262	2.1
247.02399	1.4
247.13268	0.2
249.93060	0.2
257.00809	1.2
259.02362	26.9
260.02731	0.8
275.01773	2.1
276.02631	3.3
277.03403	100.0
278.03745	2.9
285.00443	1.2
287.01776	0.2
289.03372	1.0
293.13757	1.7
303.01324	16.0
304.01730	0.6
305.02832	1.6
311.14838	0.8
315.01434	0.9
315.04489	0.2
321.02347	4.8
328.99319	1.4
331.00784	4.4
339.04776	0.3
341.02881	0.4
349.01953	1.0
355.04376	0.5
363.03482	0.4
365.02740	0.4
383.03931	0.5
385.05371	0.4
393.02460	0.7
411.03445	1.8
423.10941	0.2
429.04465	3.4
446.07050	0.5
447.05450	1.4
451.10294	0.5
465.06702	2.0
487.44635	0.2
595.14099	0.6
613.15497	8.0
630.38470	0.2
631.16583	8.2
632.17102	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	19.7
57.07045	3.1
59.04988	4.8
60.22989	2.0
61.02915	2.7
65.03934	3.5
67.05499	100.0
69.03425	12.2
69.07063	48.0
71.01340	2.1
71.04976	12.4
71.60996	2.7
73.02934	3.7
79.05061	4.2
79.05491	61.9
81.03411	62.7
81.07052	93.3
83.04977	24.6
83.08618	34.0
85.02908	23.1
85.06535	5.5
86.09710	1.9
91.05472	75.9
93.06465	4.1
93.07036	62.6
94.01089	2.1
95.04963	36.7
95.08608	47.1
97.02881	8.1
97.06524	27.1
97.10165	14.1
98.07310	3.6
99.08067	4.7
105.07026	53.6
107.04948	17.8
107.08592	35.1
108.60100	2.1
109.02889	3.7
109.06516	15.7
109.10150	49.2
111.04428	4.2
111.08077	15.7
113.06017	3.7
115.05386	3.1
116.04729	4.5
117.07018	15.6
119.08563	46.6
121.06489	5.9
121.10136	20.6
123.04434	7.1
123.08057	8.8
123.11707	7.6
125.09625	14.9
127.03902	6.6
127.07568	2.5
128.06227	2.7
129.05461	16.7
129.06978	14.1
131.08554	27.9
133.06483	4.9
133.10129	35.9
135.08022	6.0
135.11653	10.5
137.05980	2.5
137.09596	18.8
142.07794	4.4
143.07025	4.8
143.08528	5.4
143.10695	2.8
145.10106	17.2
147.04367	6.4
147.08034	8.2
147.11668	26.5
149.09608	21.5
149.13228	10.8
151.11169	5.5
153.01810	2.4
153.09068	2.3
155.08545	2.6
155.10663	4.3
157.08594	6.3
157.10115	17.2
159.11703	12.1
161.09599	3.3
161.13242	6.4
163.11160	12.0
165.09062	3.4
165.12816	5.0
167.06996	4.7
169.10141	2.8
171.10153	3.9
171.11636	5.3
173.09557	2.2
173.11726	13.6
173.13272	5.9
175.11165	19.0
177.05603	2.2
177.12698	3.7
179.14297	3.2
184.07364	6.2
185.13260	2.6
189.11197	7.0
189.12715	2.2
193.10429	2.7
193.12212	55.4
193.13838	3.8
195.13770	6.4
199.13231	5.9
200.80705	2.5
203.14313	2.1
205.12149	2.7
209.11752	3.1
211.13289	58.6
213.14786	3.0
227.12715	10.5
229.14291	25.3
247.20525	3.1
253.18028	2.4
255.15854	2.4
257.19092	4.3
267.15851	31.7
269.17520	18.1
273.18503	4.3
275.20062	34.6
283.15506	5.6
285.16946	43.6
291.19452	5.4
293.21033	5.7
301.16470	30.2
347.22247	2.5
349.23737	32.8
365.23529	2.5
367.24753	7.6
373.18716	2.7
381.22772	3.5
383.24246	4.1
411.27383	2.8
421.25702	13.3
423.27280	14.9
431.28452	2.5
439.26935	44.6
449.29419	2.6
455.26227	5.9
461.28885	10.6
477.28589	4.6
479.30103	14.9
495.29764	17.5
541.35352	17.6
557.34528	4.4
559.36145	35.6
573.22211	2.3
575.35718	20.4
577.37103	8.0
583.30969	2.9
593.36865	11.4
674.98755	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	817.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.2
65.03935	0.6
66.55404	0.4
69.03083	0.8
69.03424	12.7
69.67406	3.6
71.01347	1.2
71.04967	2.2
73.02891	1.7
73.10560	0.5
77.52953	0.5
79.05487	0.7
81.03410	29.9
83.01331	0.5
85.02888	9.2
89.03927	0.6
91.05447	1.0
93.76829	0.5
95.04943	0.7
97.02883	8.7
99.04442	5.7
101.02374	3.2
103.05435	1.1
107.04935	0.7
109.02868	17.0
110.03648	0.8
113.02357	5.9
117.03322	0.8
119.04913	1.4
125.02319	0.8
127.03909	16.4
129.03386	0.7
131.04913	1.2
135.04437	2.2
137.02330	5.0
139.03873	0.8
145.02809	1.0
145.04938	2.4
145.06439	0.6
147.04398	4.9
149.02353	1.0
153.01761	1.2
157.02850	1.6
159.04391	1.5
163.03909	6.5
165.01817	12.8
165.05562	0.7
166.02614	1.9
167.03416	3.3
173.02330	2.3
175.03885	9.0
177.01859	2.5
177.05421	0.7
179.03342	1.6
181.01280	3.2
185.02321	2.2
187.03899	5.0
189.05397	0.7
191.01639	1.0
191.03381	20.6
192.03976	0.5
193.01305	17.6
193.04947	1.7
194.02063	1.7
195.02794	0.9
195.24828	0.5
197.04433	13.6
201.01759	5.2
202.02513	0.8
203.03371	30.1
204.04056	0.6
205.01317	2.6
205.04973	1.9
207.02910	1.2
209.04422	2.9
211.02452	0.9
213.01811	5.0
215.03346	5.0
217.01372	0.6
217.04895	2.3
218.02042	0.6
219.02867	50.2
220.03384	0.6
221.00795	20.9
221.04193	3.4
223.02367	1.3
223.05974	1.3
225.03851	3.2
229.01321	6.1
230.01932	0.9
231.02858	34.6
232.03159	0.7
233.00801	8.5
233.04353	1.0
235.02254	0.8
235.06013	1.0
237.03914	2.4
241.01291	6.0
245.06519	2.5
247.02362	66.6
248.02965	1.0
249.03947	6.7
251.01891	0.9
253.03436	6.8
257.00787	10.3
258.01443	0.7
259.02359	42.1
260.02792	0.6
261.03906	4.7
263.05463	4.5
265.03415	5.1
274.98755	1.1
275.01834	47.1
276.02606	5.1
277.03412	100.0
278.03757	2.0
279.04993	4.1
285.00281	6.1
289.03339	6.6
291.05075	0.6
293.02881	13.1
301.03363	0.8
302.00439	0.8
303.01312	64.4
304.01627	1.1
307.04453	31.8
311.04047	1.0
315.01248	1.2
317.03046	0.8
321.02359	7.2
325.05469	1.9
328.99319	0.9
335.03946	18.5
345.02533	2.7
353.04990	78.0
354.05307	1.2
363.03546	0.7
369.02249	0.7
371.06070	8.7
385.05426	1.1
411.03351	0.6
419.05823	0.7
442.65894	0.6
447.05478	2.2
451.08560	0.7
465.06522	0.7
479.08170	1.6
495.84204	0.6
497.09232	1.9
547.07153	3.9
565.08258	1.4
638.21478	0.5
799.09326	2.0
817.10632	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	807.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	0.8
61.02916	0.9
64.61087	0.5
65.03944	0.6
67.05487	1.7
69.03426	3.3
71.04958	0.8
71.61702	0.9
79.05478	1.3
80.05002	0.6
81.03415	2.4
81.07040	0.7
82.06564	0.9
85.02911	5.0
87.04430	0.9
91.05492	1.4
93.05769	0.7
93.07024	2.3
94.06557	5.9
94.07153	0.7
95.04960	1.0
95.07334	1.8
95.08551	0.6
96.08135	5.5
97.02900	1.7
99.04436	0.7
103.05473	0.7
106.06554	1.7
107.07336	1.1
108.04478	0.9
108.08105	11.7
109.02876	1.1
109.08872	0.5
109.10156	1.2
110.06036	0.6
110.09669	8.9
111.04479	0.6
119.08547	0.6
119.17248	0.5
120.04482	2.2
120.08107	8.3
121.08831	1.0
122.06017	10.5
122.09644	2.9
123.04445	1.0
124.07587	5.0
127.03908	1.8
132.08034	0.7
134.06012	2.4
134.09677	0.8
134.86424	0.5
135.11684	0.6
136.07564	20.0
137.05951	0.9
137.08279	0.7
138.05531	0.6
138.09125	16.8
139.03902	0.8
144.04430	2.4
146.05995	6.8
147.04391	1.0
148.07561	13.0
149.05907	0.6
150.09123	7.8
151.03862	0.6
152.05847	1.3
152.07053	17.1
153.01819	4.9
160.03947	1.1
160.07628	1.1
162.05495	1.6
164.07072	5.5
166.08623	34.1
167.07076	1.1
167.08971	0.7
172.03931	14.4
174.05508	1.7
174.09157	1.4
176.06990	3.0
178.05083	1.0
181.05040	0.7
182.08116	0.7
188.07016	0.7
190.04956	13.8
190.06512	1.0
190.08551	0.7
194.08167	0.9
195.09218	0.7
197.10754	1.2
198.11551	1.7
199.12347	1.6
204.06534	23.5
209.10774	0.9
210.11458	3.1
211.12286	4.5
212.13098	2.1
213.10242	1.0
213.13826	0.9
218.08200	1.9
221.10728	1.1
223.08817	0.9
223.12276	3.7
224.09389	0.9
224.12898	0.8
225.10249	5.1
225.13857	1.7
226.10924	4.0
227.11777	4.8
229.13339	0.9
235.08681	1.2
235.12334	1.4
236.09386	0.8
237.10234	6.0
237.13860	1.3
238.11003	5.6
239.11769	8.5
240.12325	1.4
241.13324	2.0
243.11342	1.1
245.12862	0.8
246.07661	2.3
248.09514	1.1
249.10184	5.4
250.10901	5.0
251.08217	1.6
251.11745	11.8
252.09019	1.9
252.12483	3.2
253.09726	2.3
253.13446	4.7
254.10214	0.9
255.11259	3.8
256.12091	2.2
257.12903	1.9
259.14505	1.0
262.11087	2.2
263.08090	1.0
263.08676	0.7
263.11737	11.8
263.14413	0.8
264.08661	4.0
264.12537	2.9
265.09784	5.3
265.13354	7.2
266.10443	4.2
266.13217	0.6
267.11240	15.2
268.12009	1.4
269.12805	5.0
271.10922	1.6
271.14429	4.7
273.12302	2.9
275.11880	1.4
276.08737	0.6
277.09799	2.5
277.13348	1.5
278.10437	3.6
279.11255	23.7
280.12115	5.2
281.12820	8.2
281.15714	0.6
282.10129	1.3
282.13528	1.5
283.10800	4.4
283.14075	1.2
284.11533	10.2
285.12320	29.9
286.13000	1.1
287.13965	2.3
289.15530	2.1
291.11264	9.7
292.11954	3.2
293.09280	1.7
293.12872	9.4
294.10242	0.6
294.13409	0.9
295.10815	4.0
295.14255	1.2
296.11508	4.0
297.12302	39.7
298.12991	3.8
299.13885	7.3
304.08331	1.0
305.09045	0.7
307.10645	3.0
309.12283	13.0
310.13110	3.4
311.10300	5.4
311.13950	3.9
312.11014	1.0
313.11932	1.9
315.13629	1.1
318.15875	0.7
319.10751	5.9
321.12299	10.9
322.12970	0.9
323.10229	9.6
323.14014	0.9
324.10852	1.1
325.11807	16.7
326.12637	1.8
327.13358	11.0
328.14081	1.6
330.15994	0.6
331.16788	0.9
337.11783	40.4
338.12622	2.8
339.13394	6.9
341.11285	1.6
341.14786	1.0
343.12979	3.1
343.16696	0.7
344.13837	1.1
344.17551	0.8
355.12811	2.0
357.14447	10.6
358.15121	1.2
359.16129	1.3
360.21011	0.6
362.18622	1.2
367.13089	1.3
369.14246	4.1
370.15497	0.8
371.16104	2.3
372.17059	1.9
373.14185	1.7
384.17203	1.4
385.13837	3.7
386.14664	0.7
386.18860	0.9
387.67813	1.0
388.16522	1.1
390.18408	1.8
392.19611	1.2
399.15515	2.4
400.16437	2.2
401.17084	1.1
402.18082	2.2
404.19858	3.2
405.20453	0.7
412.16528	2.0
414.18143	1.6
416.19803	1.8
418.17657	2.1
420.19186	1.5
421.19754	1.1
422.20685	2.2
426.18475	0.8
428.19891	0.8
430.17416	6.7
431.18335	1.5
432.19089	5.7
436.18622	1.1
442.17416	3.1
444.19290	1.7
446.21155	2.9
448.18597	18.9
449.19351	12.2
450.20139	11.0
460.18555	11.1
461.19159	1.9
462.20325	3.8
463.20993	1.3
469.15967	0.7
472.18701	2.3
474.20178	3.0
476.18069	5.1
477.18854	5.8
478.19739	3.9
480.21335	3.5
481.15884	0.7
487.16916	5.1
489.18317	1.2
490.19687	25.4
491.20648	3.2
492.21411	8.6
493.21631	0.8
505.17941	0.7
522.22266	10.2
523.22974	3.4
524.24194	0.8
567.25842	1.6
585.27582	0.9
594.24500	1.6
595.25311	9.4
596.25366	0.7
611.24634	3.1
612.25604	4.0
613.26489	100.0
614.26874	7.2
634.24097	1.4
636.25146	1.7
645.29144	12.9
646.29559	1.2
652.14044	1.2
652.24988	21.0
653.25745	8.7
654.26648	4.4
684.27582	9.4
685.28003	4.4
757.30084	1.1
775.31689	25.4
776.31696	3.2
807.34137	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	807.344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
61.02913	1.2
61.12215	0.5
61.13073	0.6
65.03947	0.7
67.05492	1.9
69.03429	3.7
70.10419	2.9
71.04971	0.5
73.02892	0.7
78.83630	0.5
79.05473	2.2
79.98109	0.7
81.03402	1.9
82.06561	1.2
85.02892	6.3
91.05475	2.3
93.05791	0.8
93.07034	3.3
94.06562	7.7
95.04964	0.8
95.07336	1.8
95.08631	0.7
96.08128	8.2
97.02884	3.0
97.06536	0.9
105.07018	0.6
106.06536	3.1
107.07332	2.2
108.04484	1.1
108.08115	16.8
109.02866	1.9
110.09671	13.1
118.06523	0.5
120.04446	3.0
120.08096	11.8
122.06023	11.7
122.06892	0.9
122.09665	3.8
123.04456	0.8
124.07577	6.8
127.03911	1.1
132.08087	1.1
134.06012	2.7
135.06802	0.6
136.07570	29.3
137.08388	0.7
138.09123	22.4
144.04434	2.0
146.05989	8.4
147.06718	0.6
148.03801	0.6
148.07559	15.8
148.08693	1.2
150.09131	14.1
152.07059	22.6
153.01778	1.4
160.07568	1.3
162.05548	2.3
164.07056	5.8
166.08627	50.1
167.07082	0.9
172.03915	20.4
172.07593	0.6
174.05557	2.5
174.09160	2.8
176.07040	3.3
177.05470	0.8
180.10239	0.9
182.08115	1.1
185.10875	0.6
190.04974	18.7
192.06572	0.9
194.08163	1.2
196.11491	0.6
197.10730	1.3
198.11520	2.7
199.12369	1.5
200.06976	0.6
204.06548	31.0
209.10768	2.0
210.11473	4.6
211.08553	0.7
211.12276	5.8
212.09320	1.5
212.13007	2.8
213.10219	1.8
213.14207	0.6
218.08179	2.5
221.10757	1.2
223.08774	1.8
223.12291	4.5
224.09294	0.8
224.13077	1.3
225.10204	11.6
225.13855	2.0
226.10973	4.7
227.11765	5.9
229.09779	1.2
229.13383	1.8
235.08633	1.3
235.12413	1.7
236.09547	1.9
236.13037	1.0
237.10222	8.9
237.13972	1.9
238.10957	7.6
239.11783	10.3
240.12505	1.5
241.09703	1.2
241.13235	3.0
242.10391	0.7
243.11279	1.1
245.12944	0.9
246.07675	1.4
248.09505	1.2
249.10172	8.3
250.10962	7.3
251.08104	2.3
251.11768	18.0
252.08908	1.2
252.12498	4.7
253.09695	5.6
253.13390	6.4
254.10536	1.3
255.11259	4.7
256.12024	3.2
257.12885	2.2
259.14456	1.3
261.10263	0.8
262.10959	3.0
263.08121	1.3
263.11758	17.9
264.08817	4.5
264.12497	5.8
265.09781	9.0
265.13382	12.4
265.15958	1.0
266.10541	6.4
266.13522	1.2
267.11273	20.0
268.11942	2.1
269.10004	1.0
269.12784	5.9
271.10831	3.2
271.14459	5.3
273.12283	3.3
275.11838	1.6
276.08807	1.2
276.12601	0.7
277.09720	3.1
277.13293	1.3
278.10526	3.5
279.11258	31.8
280.11993	4.8
281.09641	0.8
281.12805	14.4
282.09973	1.9
282.13446	1.1
283.10809	7.1
283.14368	2.0
284.11520	12.6
285.12323	42.0
286.12958	1.6
287.13855	3.6
289.15463	2.5
291.11267	17.5
291.14423	1.1
292.11975	4.7
293.09293	2.3
293.12778	14.9
294.10080	1.1
294.13416	1.2
295.10822	5.1
295.14539	2.2
296.11542	5.9
297.12314	47.7
298.13040	5.6
299.13855	9.2
304.08514	0.9
307.10791	2.9
309.12302	21.7
310.13113	4.3
311.10306	6.0
311.13998	5.3
312.10849	0.9
313.11893	2.3
315.13666	1.0
316.14603	1.5
319.10754	11.1
320.11172	0.8
321.12320	11.9
323.10272	13.4
323.13742	1.2
324.10913	1.6
325.11807	24.8
326.12360	1.9
327.13394	16.4
327.17105	1.2
328.14185	1.5
329.15280	1.1
337.11777	63.6
338.12479	4.2
339.13348	7.9
340.13898	1.0
341.11459	2.1
342.15787	0.8
343.12781	4.0
344.13599	0.9
348.20776	0.9
351.13248	1.4
355.12888	2.0
356.13770	1.0
357.14395	12.8
358.15292	2.2
359.15897	2.4
362.18262	0.7
368.65317	0.7
369.14413	4.1
370.15485	1.6
371.16092	4.6
372.16980	1.6
373.13953	1.1
374.18814	1.0
376.16125	1.1
376.20538	0.9
384.17050	2.0
385.13950	2.2
386.14569	1.1
386.18970	1.1
388.16315	1.3
390.17996	2.2
392.19907	1.4
399.15668	1.3
400.16449	3.3
401.17554	1.2
402.18216	3.1
404.15164	0.7
404.20074	3.9
406.17923	1.0
412.16479	2.1
414.18027	1.6
416.19724	1.6
418.17035	3.3
420.19226	2.1
421.19949	2.0
422.20642	3.3
424.16507	1.1
428.20148	0.8
430.17654	7.8
432.19095	7.0
433.19897	1.0
436.18954	1.6
442.17538	3.0
444.19318	2.6
446.21060	3.8
447.21573	0.7
448.18600	18.8
449.19400	12.5
450.20224	13.0
451.20874	0.8
460.18689	13.6
461.19284	2.3
462.20184	4.5
463.20862	2.2
464.21658	1.1
472.18704	2.9
474.20178	4.7
476.18161	3.9
477.19110	6.5
478.19614	4.3
480.21353	3.6
487.17032	5.4
490.19666	29.4
491.20465	3.2
492.21332	10.6
519.19470	0.8
522.22296	12.7
523.23212	9.7
524.23914	5.2
567.26398	1.1
594.24408	2.4
595.25354	8.4
608.25922	1.3
611.24597	2.7
612.25464	3.9
613.26501	100.0
614.26550	3.5
634.24133	1.3
636.25549	1.9
645.29132	19.0
652.24951	19.8
653.25647	6.6
654.26471	2.9
684.27417	8.2
685.28223	5.5
757.30933	1.0
775.31708	23.6
776.31836	1.4
788.49799	0.8
807.21381	0.7
807.33917	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	807.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05487	1.5
69.03444	1.4
69.61732	6.6
70.06575	0.7
73.42463	0.8
79.05491	1.9
81.03417	1.4
82.06572	1.5
85.02892	2.2
86.73971	0.9
91.05473	3.2
93.07041	2.3
94.06565	3.6
95.04958	1.4
95.07342	3.2
95.08555	1.1
96.08117	6.8
96.90455	0.8
97.02876	1.5
99.04443	0.8
103.05434	1.3
106.06555	1.8
106.14384	0.7
107.04942	2.2
108.04467	1.0
108.08104	9.2
109.02872	1.1
110.09671	10.8
118.06568	0.9
119.04916	1.9
119.08589	1.0
120.04486	1.9
120.08104	8.4
122.06007	7.4
122.09661	1.3
123.04407	4.3
124.07546	4.9
125.03273	0.9
131.04877	1.5
133.06483	0.9
134.05989	2.0
135.04378	1.1
136.07561	17.6
137.05974	1.7
138.05542	0.9
138.09123	19.4
139.03876	1.2
144.04445	1.7
146.06006	3.0
147.04427	2.0
148.07549	11.5
150.05495	0.8
150.09145	4.7
151.03932	0.8
152.07043	8.2
153.01826	3.6
160.03951	1.8
160.07643	1.1
162.05518	1.6
163.03926	0.9
164.07115	4.1
166.08627	30.9
167.07027	4.7
172.03928	10.9
173.86481	0.8
174.09140	2.2
177.05406	1.6
181.05017	1.3
190.04977	8.8
191.03459	1.0
191.06998	1.2
194.08159	0.7
197.10739	1.1
198.11458	1.4
204.06532	12.9
209.10724	1.3
210.11517	2.2
211.12238	4.1
212.13124	1.2
213.10283	1.4
218.08096	1.0
221.10785	1.2
222.11526	1.3
223.08711	1.7
223.12300	3.5
224.09450	1.1
225.10176	7.6
225.13765	1.4
226.10988	3.0
227.11781	4.4
229.13258	1.1
234.09204	0.9
235.08717	1.0
235.12299	1.2
236.09442	1.1
237.10225	6.9
237.13858	1.8
238.11023	5.0
239.08214	1.1
239.11757	8.5
240.12473	1.4
241.13397	1.9
249.10202	4.9
250.11029	4.8
251.08046	2.0
251.11786	12.5
252.08916	1.4
252.12515	3.2
253.09656	3.3
253.13324	5.5
254.10469	2.9
255.11220	3.3
256.12057	2.2
257.12827	1.5
259.14294	0.8
262.10989	1.3
263.11755	11.0
264.08734	3.0
264.12527	4.9
265.09698	8.5
265.13345	8.9
266.10480	4.9
266.13223	0.7
267.11224	11.3
268.12161	1.5
269.12885	4.7
271.10901	2.5
271.14444	4.3
273.12268	2.1
275.11990	1.1
277.09912	1.9
277.13052	1.5
278.10471	3.1
279.11246	17.7
280.11960	2.4
281.12793	8.8
282.13470	1.7
283.10782	6.2
283.14047	1.9
284.11511	7.0
285.12332	23.6
287.13791	1.6
289.15332	3.7
291.11227	8.0
292.11920	2.4
293.09479	1.1
293.12726	9.4
295.10782	3.1
295.14587	2.2
296.11533	3.3
297.12305	28.1
298.12924	2.8
299.13870	9.4
307.10669	2.5
309.12329	16.5
310.13013	3.2
311.10217	3.3
311.13806	6.2
313.11838	1.8
313.15289	1.3
315.08902	0.9
316.14258	1.1
319.10754	6.1
321.12363	8.1
323.10162	6.5
325.11807	15.1
326.12424	2.5
327.13351	20.8
328.13586	1.2
337.11789	31.8
338.12424	3.2
339.13483	5.8
341.14917	2.2
343.12894	2.3
346.18893	1.2
355.13382	1.0
357.14307	6.7
359.15799	4.2
369.14435	4.8
370.15479	1.4
371.16156	6.5
372.17050	1.1
376.20676	1.4
385.13867	1.2
390.18112	1.3
392.19751	1.4
399.15140	1.2
400.16711	1.9
402.18066	3.3
404.19922	2.0
412.16666	1.1
416.19736	1.7
418.17511	2.8
420.19040	1.8
421.20401	1.2
422.20682	2.5
430.17798	4.5
432.19229	6.4
434.20804	1.5
436.18506	1.5
442.17636	1.2
444.19064	1.1
446.20688	3.2
448.18469	12.1
449.19333	8.9
450.20175	10.3
460.18652	13.3
461.18805	1.1
462.20169	3.2
465.22272	0.9
474.20316	4.8
476.18030	3.7
477.19040	5.3
478.19543	2.7
480.21222	12.0
490.19708	26.6
491.20166	5.2
492.21237	31.8
493.21490	2.6
508.20789	0.9
509.21530	1.1
522.22351	18.6
523.22931	12.5
524.23871	7.3
567.26782	1.1
571.24792	0.9
595.25311	8.0
613.26501	100.0
614.26746	6.9
624.26270	0.9
627.27478	1.4
645.29236	32.2
646.29272	2.6
652.24823	2.7
653.25739	9.5
654.25970	2.4
685.28253	7.0
757.30359	1.0
775.31293	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	807.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.6
57.48946	0.6
61.02910	1.0
65.03957	0.9
67.05505	1.7
69.03432	4.3
69.57711	4.3
71.04973	0.7
73.02907	0.7
79.05487	2.1
80.05023	0.7
81.03411	2.0
81.07047	1.2
82.06571	1.1
85.02898	5.5
91.05460	3.1
93.05774	0.7
93.07040	2.7
94.06564	6.4
95.04961	1.4
95.07350	2.6
96.08129	7.4
97.02879	2.3
98.21537	1.3
99.04470	0.7
103.05474	1.2
105.06976	0.6
106.06570	2.7
107.04972	0.7
107.07320	1.5
108.04497	0.7
108.08105	12.6
108.08768	1.0
109.02882	0.9
110.09671	10.5
116.05011	1.1
118.06501	0.9
120.04482	2.1
120.08107	9.6
121.06523	0.7
121.08887	1.0
122.06023	10.8
122.09672	2.7
123.04452	1.8
124.07576	6.8
127.03916	1.0
132.08090	1.2
134.06018	2.3
134.09602	0.7
136.07573	24.6
137.06079	0.8
138.05511	1.1
138.09125	17.6
138.23914	0.6
143.03410	0.7
144.04495	2.0
144.08151	0.7
146.05997	8.3
147.04419	1.3
148.07568	14.5
150.05544	1.0
150.09148	10.6
152.07057	21.1
152.08269	1.1
153.01860	2.5
158.06062	0.6
160.03958	1.4
160.07625	2.3
162.05528	3.0
162.09215	0.8
164.07027	6.7
166.08627	35.5
167.07065	2.1
167.09245	0.6
169.05153	0.6
172.03925	20.0
174.05531	1.6
174.09164	2.2
176.07063	2.9
181.04990	1.1
182.08165	0.9
188.03415	0.8
190.04982	15.1
194.08107	0.9
196.09789	0.8
197.10805	1.2
198.11545	2.7
199.12277	1.4
200.07109	0.7
204.06551	27.9
204.08444	1.5
206.08133	0.7
209.10777	1.8
210.09422	0.6
210.11497	3.6
211.08665	0.9
211.12314	6.0
212.09335	1.1
212.13135	1.9
213.10216	1.2
213.13844	1.3
215.11841	0.7
218.08197	1.5
222.09363	0.8
222.11485	0.8
223.08795	0.8
223.12253	5.2
224.09377	1.2
224.13060	0.8
225.10199	7.4
225.13885	1.8
226.10970	5.6
227.11823	4.3
229.09984	1.4
229.13416	1.9
233.10658	0.8
235.08710	1.2
235.12366	1.5
236.09514	1.9
237.10213	7.3
237.13799	1.4
238.11003	7.2
239.11754	11.2
240.12491	1.3
241.09761	1.3
241.13440	2.2
246.07690	1.5
248.09541	0.9
249.10181	5.1
250.10931	6.4
251.08066	2.2
251.11797	15.9
252.08998	2.1
252.12585	4.3
253.09677	3.8
253.13301	5.8
255.11267	4.9
256.11954	3.2
257.12946	1.0
259.14316	0.8
262.11084	2.7
263.07947	1.4
263.11780	15.7
264.08795	4.1
264.12354	3.9
265.09805	6.7
265.13382	7.2
266.10535	3.5
266.13986	1.2
267.11255	19.9
268.12045	2.6
269.12875	5.0
271.10883	2.3
271.14487	5.4
273.12381	2.3
275.11783	1.1
276.08514	1.0
276.12558	0.7
277.09778	2.1
277.13385	0.9
278.10446	3.6
279.11243	27.3
280.12009	5.4
281.09680	1.1
281.12827	9.8
282.09927	1.7
282.13184	1.4
283.10834	5.8
283.13818	1.1
284.11517	10.2
285.12323	34.3
286.13034	1.0
287.13998	1.5
289.15488	2.2
291.11200	13.0
292.11914	2.9
293.09262	2.0
293.12766	11.9
294.13257	1.0
295.10791	3.1
295.14236	1.3
296.11481	5.6
297.12317	41.4
298.13052	2.4
299.13898	6.3
305.09213	0.8
307.10843	3.0
307.13904	0.7
309.12354	17.7
310.13068	4.0
311.10345	5.4
311.13907	4.2
313.11780	2.5
316.14572	1.6
319.10693	9.7
321.12326	11.1
323.10281	11.1
323.13916	1.3
324.10965	1.1
325.11813	19.2
325.15451	1.3
326.12445	1.4
327.13287	9.3
329.15295	1.2
330.15936	1.4
337.11801	48.1
338.12286	2.5
339.13394	5.3
340.14279	1.5
341.11310	1.5
341.15158	1.6
343.12802	3.2
344.13596	0.9
344.17422	0.9
351.13168	1.1
355.12997	2.5
356.13593	1.1
357.14423	10.4
358.15494	1.9
359.16116	1.9
360.16934	1.0
367.13089	1.1
369.14380	3.3
370.15414	1.5
371.16098	2.0
372.17172	1.6
373.13989	1.8
374.18817	0.9
376.16278	0.8
376.20676	0.8
384.17041	1.0
385.13751	3.5
386.18781	1.2
387.15640	0.9
388.16385	0.9
390.18176	1.5
392.19791	1.8
397.86920	0.7
399.15625	2.3
400.16302	2.9
401.17233	0.7
402.18137	2.6
404.19833	4.5
406.17599	1.4
412.16409	3.0
414.18100	1.4
416.19781	1.8
418.17621	2.8
420.19214	1.4
421.20175	1.3
422.20789	2.0
428.19812	1.3
430.17563	6.5
431.18182	1.2
432.19257	6.4
433.19748	0.8
434.20700	1.2
435.21890	1.0
436.18567	1.1
442.17648	2.2
444.19345	1.6
446.21158	3.5
448.18665	19.7
449.19388	12.7
450.20151	10.7
460.18634	12.5
461.19220	2.5
462.20160	3.8
463.20911	1.1
469.16141	0.8
472.18692	2.2
474.20270	4.9
476.18353	5.9
477.18991	5.8
478.19568	4.3
480.21320	3.4
487.17068	3.9
490.19696	28.1
491.20514	2.2
492.21301	8.6
506.22714	0.7
519.20648	1.1
522.22345	14.7
523.22931	3.8
524.23444	1.1
566.25360	1.2
567.25946	1.3
585.26642	0.9
594.24457	2.5
595.25488	8.2
608.25867	1.2
611.24902	2.6
612.25159	4.1
613.26538	100.0
614.26691	4.0
634.23804	1.8
636.25281	1.2
636.52094	0.7
645.29193	13.6
652.25043	19.2
653.25610	6.4
654.26654	3.3
684.27643	7.1
685.28363	3.2
757.30780	1.4
774.57275	0.6
775.31781	24.9
776.30737	1.3
807.34760	3.9
834.20081	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.4
67.05501	3.8
69.03387	0.9
71.54681	0.3
71.60347	0.5
72.65053	0.3
77.75225	0.2
79.05452	1.1
79.05861	0.3
80.04969	0.8
81.03387	0.5
81.05763	0.5
81.07019	0.3
81.82039	0.2
82.06534	0.9
85.02891	1.7
91.05463	1.6
93.07036	3.3
94.06016	0.4
94.06558	7.0
95.04926	0.7
95.07345	3.8
95.08564	0.6
96.04472	0.5
96.07561	0.5
96.08121	7.7
97.02864	0.6
97.06493	1.0
103.05428	0.8
106.06503	0.3
107.07315	0.7
108.04471	2.0
108.08106	7.7
109.08858	0.8
110.05986	0.9
110.09667	14.8
120.08091	10.2
121.06466	0.5
122.05161	0.6
122.06023	12.1
122.09651	1.5
124.07538	1.1
127.03873	0.3
132.04408	0.8
132.08072	0.5
132.86496	0.2
134.05968	2.9
136.07562	7.6
137.08318	0.7
138.09122	20.1
146.05920	0.9
148.07544	4.4
150.05347	0.4
150.09109	5.0
152.07037	3.1
153.01762	1.1
160.03926	7.1
160.07581	0.4
162.05472	0.7
162.09074	0.4
164.07047	3.4
166.08624	34.3
167.07053	0.4
168.10213	0.5
172.03989	1.2
172.07471	0.4
173.07144	0.3
174.05502	0.5
174.09082	0.5
176.07011	0.3
178.04959	2.4
187.08626	0.3
190.04921	0.9
192.06493	0.6
194.08124	0.3
194.09685	0.3
195.09250	0.3
196.09702	0.3
197.10699	0.6
198.11528	0.5
199.08652	2.3
199.12323	0.4
204.06569	2.6
208.09669	0.3
209.10706	0.8
210.11414	0.7
211.08606	2.8
211.12221	1.7
212.09354	0.6
212.12990	0.4
213.10181	2.7
213.13739	0.5
218.08023	0.4
221.10661	1.0
222.09663	0.3
222.11354	1.4
223.08630	4.7
223.12122	1.4
224.09430	0.9
224.12755	1.3
225.06633	0.6
225.10199	15.9
225.13431	1.2
226.08893	0.3
226.10956	6.2
227.08244	0.7
227.11731	4.4
229.09711	0.4
234.11359	0.5
235.08565	2.0
235.12234	1.2
236.09261	1.6
236.13023	0.6
237.10176	6.0
237.13786	3.4
238.10913	4.7
239.08078	5.5
239.11760	14.8
240.12529	3.5
241.09724	1.1
241.13225	1.6
243.14771	0.4
247.12263	0.8
248.09439	1.0
248.10843	0.7
248.12987	0.6
249.10185	6.8
249.13861	0.4
250.10928	7.1
251.08151	4.9
251.11763	18.5
252.08820	1.0
252.12495	4.6
253.09715	4.6
253.13329	10.4
254.10468	11.9
254.13438	0.4
254.14166	0.5
255.11221	1.3
255.14938	0.8
256.12109	0.3
257.12814	0.5
259.14474	0.4
261.10046	0.3
262.11093	0.4
263.11777	12.3
264.09082	1.1
264.12524	9.3
265.09738	6.6
265.13315	23.5
266.10443	3.7
266.13800	2.3
267.11252	6.6
267.14859	2.6
268.11969	0.9
269.09085	0.3
269.12796	1.2
270.10037	0.3
271.10730	2.1
271.14117	0.3
275.11728	0.9
276.12589	0.3
277.09744	1.9
277.13373	1.1
278.10474	2.6
279.11258	9.3
279.14362	0.5
280.11978	1.2
281.12827	12.3
282.10028	0.8
282.13577	3.0
283.10770	7.2
283.14371	5.1
284.11523	2.4
285.12292	11.6
286.13104	1.9
287.13834	0.7
289.13077	0.3
291.11230	3.1
292.11960	1.4
293.09274	0.8
293.12769	8.6
294.10260	0.7
294.13577	3.3
295.10773	3.5
295.14359	1.3
296.11539	4.9
297.12314	7.9
298.13071	1.8
299.13864	13.7
300.14474	0.6
303.11078	0.5
305.09195	0.4
307.10760	1.5
307.13943	0.4
308.11511	0.9
309.12299	60.6
310.13004	3.6
311.13849	27.4
312.14301	1.0
313.11755	0.9
313.15039	0.5
314.12839	0.4
319.10791	2.2
319.14212	0.5
320.11551	1.8
321.12302	5.6
323.10599	0.5
323.13937	0.6
324.10989	1.7
325.11850	3.7
325.15396	0.6
326.12448	1.7
327.13354	85.9
328.13733	2.1
330.16153	0.4
335.13733	0.3
336.14572	0.3
337.11792	13.0
338.12543	9.2
339.13358	17.1
340.13922	0.6
341.15021	3.0
343.12946	0.5
344.13724	1.2
344.17422	0.5
345.14542	0.3
353.15015	1.1
355.13074	0.4
356.13818	0.9
357.14410	6.1
358.15250	2.2
359.15970	8.4
363.13293	0.4
369.14404	25.8
370.15103	3.3
371.15973	38.1
372.16623	1.9
374.18857	0.3
384.16959	0.4
386.18488	1.7
387.16748	0.4
388.16467	0.5
390.18085	0.4
399.15649	0.5
400.16565	0.4
402.18173	0.7
404.19711	3.0
412.16208	0.5
414.18124	2.2
416.19656	13.3
418.17590	0.9
419.18414	0.3
420.19308	0.6
430.17429	3.1
432.19171	5.4
442.17621	2.8
446.20798	0.8
447.21710	0.4
448.18594	16.9
449.19412	0.6
450.20105	0.4
460.18628	63.2
461.18875	1.8
474.20157	4.2
474.26514	0.4
478.19547	1.5
480.21259	48.0
481.21667	1.1
490.19656	2.1
491.20639	0.5
492.21240	100.0
493.21506	2.9
506.22864	0.7
522.22333	1.6
523.22845	2.5
524.23761	2.8
567.25659	0.5
569.27350	0.9
577.24963	0.3
585.27289	0.5
595.25342	4.1
613.26477	43.2
614.26971	1.3
627.27930	2.4
631.27588	0.4
645.29059	9.6
646.30457	0.3
652.25250	0.4
654.26227	1.7
684.27368	0.4
685.27600	0.3
739.29633	0.4
757.30713	0.4
775.31909	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.344
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	1.0
67.05484	0.6
69.03417	3.3
69.54237	2.9
69.54649	0.7
74.15249	0.4
79.05483	1.5
80.05002	0.6
80.69463	0.5
81.03407	1.4
82.06567	0.9
85.02901	4.6
85.78303	0.4
87.04478	0.6
91.05479	1.6
93.05782	0.6
93.07034	1.8
94.06560	5.3
95.04980	0.8
95.07343	1.7
96.08127	7.0
97.02901	2.5
103.05494	0.9
106.06548	2.8
107.07339	1.7
108.04456	0.9
108.08114	11.8
109.02885	1.0
110.06032	0.5
110.09667	10.1
116.04960	1.0
118.06471	0.6
120.04440	2.9
120.08095	9.4
121.08913	0.7
122.06024	10.4
122.09657	3.8
124.07581	5.9
127.03917	1.1
132.08096	0.6
134.06053	2.4
136.07567	23.8
138.05479	0.5
138.09137	17.4
144.04414	2.6
146.05998	6.7
146.09622	0.8
147.06772	0.7
148.07555	14.5
150.09134	10.4
152.07062	15.6
158.05991	0.8
160.03966	0.9
160.07558	1.6
162.05576	2.3
162.09180	0.7
164.07071	5.1
165.07857	1.0
166.08630	40.8
167.09044	0.6
172.03915	18.0
172.07520	0.6
174.05563	1.5
174.09152	1.5
176.07051	3.2
178.08664	0.8
180.10248	0.6
182.08209	1.5
184.09872	0.7
186.09216	0.5
190.04977	15.7
192.06509	0.8
194.08202	1.1
196.09779	0.6
197.10785	1.2
198.09702	0.4
198.11406	2.1
199.12263	0.8
204.06544	26.5
205.06853	0.7
209.10802	1.5
210.11470	3.1
211.12271	4.5
212.09468	1.1
212.13069	2.0
213.10237	1.1
218.08138	2.4
220.07556	0.5
222.11554	0.8
223.08739	1.2
223.12311	3.9
224.09302	0.5
224.13120	0.9
225.10175	5.3
225.13866	1.7
226.10976	4.8
227.11810	4.2
229.09721	1.2
229.13356	1.3
235.08623	1.2
235.12296	1.2
236.09387	1.3
236.13130	1.2
237.10175	7.5
237.13895	1.5
238.10941	5.6
239.11787	8.6
240.12547	0.9
241.09714	0.8
241.13374	1.3
243.11369	1.1
245.12878	0.8
246.07599	0.9
248.09456	1.3
249.10228	6.3
250.10912	6.8
251.08257	1.7
251.11754	11.9
252.09032	1.3
252.12511	3.6
253.09662	2.5
253.13321	4.7
255.11275	4.2
256.12097	2.1
257.12854	1.8
259.14514	0.8
261.10242	0.7
262.10992	2.5
263.07974	1.2
263.11777	16.2
264.08646	2.7
264.12448	3.5
265.09769	5.8
265.13379	7.9
266.10495	4.3
266.13101	0.7
267.08411	0.9
267.11252	16.6
268.12100	1.9
269.12863	4.8
271.10797	1.8
271.14468	5.7
273.12335	3.5
275.11792	0.7
277.09769	2.8
277.13324	1.4
278.10431	3.0
279.11258	26.2
280.12024	4.9
281.12842	10.6
282.10031	1.1
282.13696	1.3
283.10803	4.5
283.14334	1.3
284.11548	8.8
285.12311	32.5
286.12897	0.9
287.14008	2.7
289.09756	0.5
289.15482	2.9
291.11237	16.0
292.12009	3.9
293.09348	1.2
293.12775	13.9
294.10046	0.8
294.13367	0.7
295.10812	3.8
295.14417	1.4
296.11539	5.5
297.12308	38.1
298.12915	3.3
299.13876	7.9
307.10858	3.0
309.12317	16.9
310.12958	3.8
311.10266	6.3
311.13953	4.2
312.10999	1.1
312.14670	0.7
313.11823	2.0
315.13574	0.7
316.14484	0.8
319.10748	9.4
321.12323	11.4
322.13080	0.7
323.10248	11.5
323.13809	1.0
324.10956	1.7
325.07901	1.1
325.11804	22.9
326.12436	1.3
327.13361	9.2
328.14346	1.1
329.15152	0.7
331.16574	1.0
337.11789	52.9
338.12436	2.6
339.13373	6.5
340.14343	1.2
341.11243	1.5
341.14941	0.9
343.12866	3.5
344.17667	0.9
346.19250	0.9
351.13528	1.4
355.12943	2.0
356.13803	1.4
357.14471	10.5
357.18777	0.8
358.15326	0.7
359.16068	1.2
360.17197	0.6
362.18652	0.7
367.12915	0.8
369.14618	3.6
370.15414	1.0
371.16043	2.2
372.17078	1.2
373.13907	0.7
374.18817	0.9
376.20364	0.8
385.14050	2.0
386.18805	0.6
386.53510	0.5
388.16418	1.0
390.18112	1.9
392.19824	1.2
399.15543	1.7
400.16440	2.9
401.17029	1.0
402.17789	2.6
404.19867	3.2
406.17191	1.0
412.16495	2.4
414.18207	1.2
416.19833	1.9
418.16879	2.2
418.22198	0.9
420.19244	1.8
421.20026	1.3
422.20731	2.4
428.19830	0.6
430.17523	7.1
431.18356	1.1
432.19113	5.7
434.20602	0.5
436.18811	1.7
442.17514	2.2
444.19287	2.4
446.20996	3.3
448.18607	18.6
449.19415	11.5
450.20160	9.8
460.18640	13.1
461.19308	2.4
462.20184	5.0
463.20996	0.8
472.18655	2.9
474.20355	3.6
476.18063	5.3
477.18933	5.6
478.19617	3.7
480.21313	2.9
487.16998	6.6
489.18707	0.8
490.19711	31.7
491.20386	2.6
492.21213	8.3
493.21860	0.6
505.18246	1.0
508.20673	0.6
519.19873	0.8
522.22308	10.3
523.23077	1.8
567.26025	1.3
571.25488	0.9
573.17963	0.6
585.26855	1.3
594.24561	1.9
595.25366	7.5
608.26343	1.0
609.26074	0.6
611.24597	2.3
612.25360	4.6
613.26520	100.0
614.26849	5.0
634.23840	1.6
636.25122	0.8
645.29230	13.3
652.24963	22.1
653.25800	6.3
654.26477	3.7
684.27667	7.2
685.17084	0.6
685.27771	2.7
739.29858	0.7
757.30524	0.8
775.31750	24.9
776.31805	1.8
807.34094	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	806.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	2.2
57.03434	24.7
65.03934	2.9
66.69371	1.9
67.05501	75.5
69.03414	10.0
69.07064	32.8
71.04988	10.2
71.59496	2.7
76.27415	2.3
79.05054	4.3
79.05487	56.8
81.03412	100.0
81.07051	73.7
83.04968	14.5
83.08617	33.9
85.02912	6.4
85.06536	4.9
88.80727	1.9
91.04897	3.8
91.05472	59.6
93.07036	68.4
95.04959	45.5
95.08604	30.6
97.02885	8.1
97.06513	19.1
97.10151	17.1
99.08092	2.4
105.07028	44.6
107.04961	16.6
107.08589	41.4
107.15531	2.7
109.02831	2.1
109.06505	8.2
109.10143	18.3
111.08084	12.9
115.05499	3.1
117.07003	20.2
119.08572	35.4
121.06498	9.0
121.10117	18.7
123.08076	5.3
123.11700	3.1
125.09598	13.7
127.03883	3.7
128.06160	4.3
129.05511	2.8
129.06995	21.4
130.07822	2.4
131.04906	2.2
131.08553	27.4
133.06483	6.5
133.10123	25.6
135.08072	6.5
135.11707	16.5
137.05974	6.0
137.09633	5.0
142.07800	3.8
143.08565	8.3
145.06473	4.7
145.10135	17.9
147.04381	2.4
147.08041	6.6
147.11696	21.4
149.09622	12.6
149.13277	8.8
151.11237	3.7
155.08521	2.5
157.10115	17.5
159.08098	5.2
159.11679	13.4
161.09694	4.1
161.13271	5.1
163.11171	8.2
165.12749	2.9
169.10127	3.6
171.11789	3.2
171.36145	2.1
173.11810	3.2
173.13264	5.1
175.11143	10.7
177.12740	3.1
183.11674	5.2
185.13258	4.9
189.11212	7.4
189.12772	3.0
191.10582	2.7
193.12212	22.4
195.13849	3.8
197.13141	3.7
202.70183	2.0
211.13249	4.4
217.15964	2.8
219.04333	2.1
223.48172	2.2
227.12776	10.7
229.14333	4.9
249.14856	4.5
255.15868	17.7
257.19019	3.7
267.15878	85.0
269.17435	24.7
273.14752	2.7
273.18405	3.0
275.20074	16.6
291.19458	4.1
301.16663	2.8
349.23685	20.9
367.24753	7.5
369.24176	5.0
387.25467	3.6
419.24014	2.7
420.74203	2.1
421.25607	5.5
443.27945	10.3
447.27390	29.0
449.30249	4.2
459.27148	3.2
461.28983	93.0
463.30038	3.0
467.31512	5.2
493.31552	11.2
501.31766	2.3
523.33893	3.0
541.35242	49.2
559.36230	20.9
583.35614	2.7
587.32166	4.0
591.38751	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	806.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	29.6
57.07076	4.7
59.04989	2.1
61.02914	6.4
65.03940	5.0
67.05500	100.0
69.03424	13.1
69.07065	55.5
69.70455	1.8
70.02321	11.2
71.01358	5.7
71.04968	12.1
73.02909	5.8
79.05488	63.9
81.03414	32.9
81.07052	77.0
82.04220	4.8
83.04977	25.3
83.08612	24.6
85.02896	13.6
85.06576	5.3
88.40700	2.0
91.05476	65.9
93.07036	56.9
94.07829	2.4
95.04964	34.2
95.08600	44.7
97.02889	8.9
97.06535	24.9
97.10172	21.3
98.07333	5.6
99.08091	2.0
101.05978	2.3
103.05448	3.1
105.06371	3.9
105.07030	43.6
107.04942	16.7
107.08585	34.3
109.06512	10.8
109.10151	44.9
111.04449	3.9
111.08089	9.0
113.06030	2.3
116.04731	12.3
117.07013	17.5
119.08571	34.5
121.06502	7.9
121.10133	16.1
123.04447	1.9
123.08045	14.2
123.11713	4.1
125.09625	22.9
127.03920	2.9
127.11268	2.3
129.05476	23.8
129.06976	10.7
130.07758	2.9
131.08586	20.4
132.26324	1.9
133.06500	3.0
133.10133	27.2
135.08069	8.6
135.11696	13.6
135.12556	2.0
137.09616	20.3
143.07028	5.3
143.08626	5.0
145.10118	21.5
147.08012	5.1
147.11668	15.1
149.09621	18.7
149.13206	4.1
151.11171	6.7
153.09143	2.1
155.08620	3.3
157.08615	11.6
157.10135	8.2
158.05794	2.9
159.08069	2.4
159.11681	11.0
161.09645	5.6
161.13281	4.9
163.11153	14.8
165.12769	4.3
169.10130	3.5
171.10184	6.4
171.11635	4.4
173.09662	3.3
173.11751	13.0
173.13316	5.5
175.11186	8.1
177.12665	3.8
179.14417	4.0
184.07376	4.9
185.11702	3.1
187.11179	2.8
187.13321	2.4
189.11234	9.0
191.10617	3.7
193.12230	10.6
199.13245	7.7
209.11774	7.0
211.13306	8.3
223.13329	2.3
227.12787	12.9
229.14305	14.3
229.19524	2.2
243.15973	5.1
247.20714	3.4
253.14333	8.9
255.15933	7.8
257.18997	5.8
267.15921	14.2
269.17554	3.7
273.18594	3.4
275.20038	25.0
283.15350	6.6
285.16992	8.7
291.19473	6.7
293.21167	3.1
301.16446	52.3
349.23669	31.6
365.23309	6.7
367.24689	3.2
383.23581	2.2
397.22131	3.9
455.26218	10.6
469.27832	2.3
479.29895	3.7
499.95050	2.5
523.29144	2.8
541.34894	3.3
559.36035	4.3
575.35699	27.3
591.35950	2.5
593.36603	4.6
596.77277	2.3
609.36182	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	806.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03186	3.3
57.03437	36.6
57.07069	3.8
59.04974	4.9
61.02926	10.3
65.03928	6.5
67.05502	100.0
69.03429	26.0
69.07064	71.6
70.04186	3.6
71.01331	6.5
71.04597	2.8
71.04989	38.9
71.12123	2.0
71.12442	3.7
73.02901	12.5
79.05488	96.1
80.06261	2.6
81.03416	79.9
81.07051	99.5
83.01310	2.1
83.04973	26.4
83.08614	31.8
85.02905	28.4
85.06527	8.0
87.04450	2.3
91.03928	3.4
91.05477	86.2
93.07040	85.5
93.07626	5.1
94.04192	2.1
95.04965	51.0
95.08598	40.2
97.02884	22.5
97.06523	88.5
97.07140	4.9
97.10152	16.9
98.07275	3.7
99.04449	5.8
99.08080	7.0
103.05472	3.5
105.04566	3.4
105.07023	53.3
106.48218	2.3
107.04948	27.5
107.08579	39.2
109.02863	7.3
109.06512	31.1
109.10150	25.1
111.04434	4.5
111.08075	24.7
113.05936	2.8
115.05461	4.0
115.07559	34.1
116.04672	6.7
117.07001	18.0
119.04939	4.7
119.07787	4.3
119.08574	49.7
120.94521	2.3
121.06483	16.4
121.10126	24.4
123.08023	11.4
123.11676	8.6
125.09620	10.4
127.03883	7.1
127.07570	4.6
129.05498	16.3
129.06967	19.1
131.07042	3.1
131.08556	31.7
133.06482	7.2
133.10130	45.8
135.08043	13.9
135.11665	9.8
136.59453	2.0
137.09581	10.4
139.07568	10.4
141.06967	4.1
142.07738	5.7
143.08549	8.1
145.06458	4.2
145.10097	14.8
147.08038	13.2
147.10655	2.6
147.11703	27.2
149.05968	2.4
149.09627	10.6
149.13268	12.0
151.11157	7.2
153.09161	2.6
157.08618	6.7
157.10106	27.6
159.08054	3.8
159.11662	10.0
161.09563	5.9
163.11166	11.8
165.12729	6.4
167.07062	2.7
169.10161	2.2
171.10150	2.4
171.11629	3.8
173.04445	6.2
173.09607	4.9
175.11165	20.1
177.12738	7.3
183.11758	3.5
184.07365	4.8
187.13216	2.7
189.11153	6.5
191.10695	3.3
193.12221	49.9
194.12875	2.7
195.13779	8.4
197.13445	2.5
199.11230	3.5
199.13142	2.9
209.11659	3.6
211.13272	52.7
217.15874	7.2
221.11751	2.5
227.12747	9.9
229.14294	9.0
243.15930	6.7
245.18785	2.3
249.14850	2.7
253.14270	3.4
267.15869	33.7
268.16614	7.9
269.17508	24.5
273.18533	18.1
275.20084	5.6
280.20541	2.1
283.15323	13.9
285.16901	40.1
289.17957	3.8
291.19547	9.9
301.16400	20.0
312.51498	2.4
347.22104	6.3
349.23636	7.3
365.23227	5.2
379.21469	2.5
391.47351	2.4
421.25531	4.0
437.25314	10.5
439.26947	16.7
453.28485	2.9
460.27951	9.3
461.28854	10.6
477.28183	5.7
478.29126	7.9
479.29965	22.8
495.29190	3.6
557.34491	9.6
559.36517	4.2
573.34448	3.0
575.35413	4.3
591.35370	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	805.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	0.3
65.03923	0.4
67.05497	0.6
69.03439	1.7
73.02911	0.4
79.05476	1.0
80.05019	0.5
81.03383	0.8
82.06551	0.5
85.02898	1.8
91.05467	1.3
93.05804	0.5
93.07023	1.2
93.25204	0.3
94.06577	2.3
95.04989	0.6
95.07358	1.7
95.08598	0.4
96.08121	3.8
97.02885	1.1
97.06530	0.5
99.04446	0.4
103.05454	0.7
105.07021	0.7
106.06540	0.3
107.07328	0.5
107.08570	0.3
108.08109	5.6
109.02875	0.4
109.08886	0.3
110.09669	6.2
118.06522	0.3
119.04942	0.4
119.08545	0.4
120.08096	5.0
122.06017	3.5
122.09687	1.1
123.04400	0.6
124.07565	1.3
127.03909	0.5
136.07568	7.0
137.08382	0.5
138.09129	10.3
139.03883	1.0
146.09743	0.5
147.04401	1.1
148.07581	3.2
149.05905	0.5
150.09117	2.3
152.07037	0.6
153.01811	1.1
161.06009	0.4
163.03908	0.4
164.07072	0.7
166.08626	15.0
167.07056	1.3
172.03963	0.4
177.05415	0.6
181.04941	0.7
185.45496	0.3
193.08563	0.3
204.06602	0.6
204.10091	0.4
209.10860	0.3
211.08737	0.9
221.10707	0.4
222.11310	0.4
223.08627	0.4
223.12270	0.7
225.10243	0.9
225.13991	0.3
226.10963	0.5
227.11688	0.6
229.24480	0.4
233.10614	0.4
235.08681	2.7
235.12297	0.5
236.09416	1.3
237.10258	5.8
238.10959	3.4
239.11812	3.3
240.70256	0.3
247.08553	1.6
248.09424	3.0
249.10197	9.5
250.11006	9.7
251.08051	0.4
251.11783	10.0
252.12526	1.0
253.09740	1.4
253.13342	0.7
255.11372	0.7
261.10233	4.0
262.10956	4.2
263.08554	0.9
263.11777	26.3
264.09067	1.1
264.12506	3.0
265.09763	3.5
265.13354	4.8
266.10461	1.0
267.11304	2.6
269.12820	0.6
275.11819	0.5
277.09698	4.7
278.10385	2.9
279.11246	21.7
280.11890	1.0
281.09546	0.5
281.12781	4.6
282.10114	2.3
283.10751	2.1
285.12372	0.9
289.09802	2.4
290.10425	0.7
291.11267	13.5
292.12033	2.5
293.09280	0.9
293.12845	4.8
294.10016	0.5
295.10800	4.2
295.14035	0.5
296.11691	1.8
297.12289	3.3
298.13019	0.8
300.14462	0.5
303.11166	0.4
305.09238	0.6
307.10809	8.1
308.11365	0.4
309.08743	0.5
309.12329	10.7
310.13013	0.8
311.10419	0.6
311.13782	2.8
315.13705	0.4
317.09308	0.8
318.09946	0.4
319.10718	5.9
321.12332	1.0
322.13052	0.4
323.10193	2.3
323.13947	4.7
324.10840	0.4
324.14429	0.5
325.11804	5.2
325.15436	0.6
326.12671	0.5
327.13452	0.4
328.14484	0.7
330.15878	0.5
335.10257	4.5
336.10980	3.3
337.11789	30.6
338.12234	0.6
339.13568	1.0
340.14380	0.6
341.15280	0.6
342.12540	0.6
342.16016	1.7
351.13434	0.6
353.11026	0.6
354.16046	0.8
355.12878	10.8
355.17218	0.5
356.13791	2.3
356.17688	0.7
357.14432	21.4
358.15002	1.1
358.19183	0.4
367.12872	13.6
368.13562	3.1
369.14438	15.9
370.15262	3.2
370.19141	0.5
371.16504	0.5
372.17160	0.7
375.19360	0.5
382.15482	0.4
384.17099	1.2
386.14694	0.6
388.16354	0.7
398.18793	0.5
400.16458	0.8
402.17920	1.0
403.18927	4.8
404.19998	0.6
412.16339	0.6
416.20090	0.8
419.18549	0.4
428.15979	0.5
429.17145	0.7
430.17349	1.6
432.19199	1.2
441.15399	0.4
442.17725	1.4
444.19363	2.5
446.17096	1.0
447.17969	1.0
448.18597	0.7
458.17282	1.1
460.18658	2.0
461.19690	0.4
462.19931	0.6
470.17078	0.8
472.18839	0.7
474.20355	0.6
476.21564	1.4
478.19791	3.4
488.18240	2.8
489.18927	0.7
490.19736	11.4
492.21252	2.0
493.21851	0.4
494.22809	0.7
502.19809	1.6
503.20441	0.5
504.21173	2.3
520.20776	36.6
521.21423	6.3
522.22321	100.0
523.22748	2.7
529.26868	0.4
593.23846	0.6
611.25116	3.7
625.26764	2.2
643.27618	7.9
650.23004	1.3
652.24933	2.0
682.26099	5.1
683.26453	2.8
684.27594	17.5
685.27820	0.5
755.27710	0.4
805.30133	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03408	0.3
69.03413	0.6
71.28748	0.3
71.59817	0.3
72.60056	0.4
73.02898	0.2
81.03387	0.4
85.02900	1.1
88.90746	0.2
97.02876	1.4
102.94318	0.3
109.02868	0.4
119.01898	0.8
120.95291	1.3
123.01242	0.2
127.03873	0.8
131.01851	0.9
131.51994	0.3
132.01782	0.8
132.51808	0.2
137.01880	0.6
137.52005	0.3
138.01750	0.7
138.96419	0.8
143.01872	1.1
144.01778	0.4
144.51881	0.3
145.03407	0.5
145.04922	0.5
150.01628	0.2
153.02209	0.5
155.01884	0.8
156.84164	0.2
156.97461	2.7
159.05261	0.2
161.02927	1.4
167.01859	0.3
173.02922	2.4
173.53055	0.4
174.02899	0.9
174.52982	0.3
174.98526	5.3
180.95804	0.4
180.97406	6.3
180.98842	0.4
182.03568	0.3
182.99007	0.6
185.02957	2.1
187.04530	0.4
194.03484	0.3
194.99173	0.3
197.02992	0.7
198.00063	0.3
198.98509	100.0
199.98654	2.2
201.00102	0.8
203.03973	1.4
203.54074	0.5
204.04001	0.5
204.54138	0.3
209.00572	0.2
210.98520	3.1
213.00021	1.4
215.03976	1.0
216.99567	51.0
217.99709	1.3
222.00076	3.8
222.98520	1.3
225.00107	1.0
227.01857	0.4
227.04024	0.8
228.99565	12.9
229.99747	0.4
234.98518	3.6
240.01147	2.1
240.99547	15.8
241.99797	0.3
243.01254	0.7
245.05052	5.8
245.24254	0.2
246.98270	0.3
247.00658	3.0
247.04817	0.3
252.01215	0.5
252.99539	3.0
257.05048	0.3
259.00626	12.6
263.06073	1.2
264.99591	0.7
270.02341	0.3
271.00610	1.3
275.05960	0.6
277.01715	3.1
282.02161	0.8
283.00610	9.6
284.00940	0.3
285.06750	0.7
285.56955	0.3
293.07233	0.3
294.93301	0.4
301.01657	26.5
302.01758	0.6
305.07178	0.7
319.02701	7.9
324.03201	0.3
328.49033	0.2
342.04391	1.2
343.02676	0.8
365.09146	0.5
365.59100	0.6
366.09204	1.0
366.59387	1.1
367.09213	0.6
373.03732	1.2
373.54034	0.3
382.04370	0.9
382.54239	0.4
463.06924	78.4
463.57236	0.9
464.07126	3.1
481.07968	3.6
482.08307	0.3
504.09613	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.2
61.02921	11.2
67.05494	9.9
69.03413	6.6
69.07066	2.1
70.02896	4.5
71.04993	1.5
73.02911	7.6
79.05479	5.1
81.03410	2.3
81.07046	7.5
85.02911	10.6
85.72202	0.9
88.96844	1.0
91.03955	5.2
91.05502	4.2
93.07041	6.2
95.08604	9.0
97.02903	6.5
98.21421	1.0
99.04470	1.6
101.02396	4.1
105.07037	2.4
107.08607	3.4
107.33548	1.0
109.10185	2.8
119.08615	1.2
121.10168	2.2
127.03938	2.5
131.08571	1.1
133.10130	1.5
135.11743	1.5
145.10100	1.0
173.13213	1.1
185.04311	1.4
203.05414	1.1
207.13530	0.9
210.34317	1.0
212.08705	0.9
243.08496	2.8
407.23560	1.1
519.29358	13.2
797.51685	100.0
798.51880	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	797.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06487	0.3
58.69526	0.3
68.99798	0.4
69.03427	15.3
71.01351	0.7
71.04995	1.1
71.59961	0.6
72.08147	0.3
81.03414	31.1
81.07026	0.4
83.01343	1.0
85.02904	4.5
89.03932	0.4
91.05474	1.5
95.04977	0.4
97.02891	3.7
99.04460	1.3
100.80840	0.3
101.02401	0.4
103.05495	1.6
105.03381	0.5
105.07033	0.5
107.04961	0.8
109.02872	15.8
111.04442	0.6
117.03392	0.7
119.04965	1.1
121.02993	0.3
123.04422	1.3
127.03912	5.4
129.03331	0.5
131.04939	1.1
131.98248	0.3
133.02847	1.8
135.04437	0.9
137.05959	0.9
137.09624	0.4
139.03883	0.7
145.02838	1.4
147.04398	2.9
148.04756	0.4
151.03848	1.0
153.01842	3.1
157.02850	1.6
159.04442	0.8
161.02321	2.5
162.03171	0.4
163.03885	4.3
165.01822	0.6
165.05528	0.4
167.07109	0.4
173.02374	2.1
174.03093	0.5
175.03896	3.6
177.01842	0.4
177.05484	0.8
179.03397	1.3
185.02290	1.9
187.03897	5.0
189.01825	4.8
190.02560	1.8
191.03387	7.0
193.01257	0.4
201.01817	6.4
202.02663	1.1
203.03380	5.4
205.04846	0.5
207.02859	4.9
207.65895	0.3
209.00911	0.4
209.04449	0.4
213.01801	3.2
215.03348	4.9
217.01324	8.7
217.03355	0.6
218.02061	5.2
219.02881	7.5
221.00883	1.7
221.04460	1.0
229.01306	5.8
229.04810	0.4
230.02092	1.1
231.02873	21.7
232.03444	1.1
233.04477	1.1
234.01627	0.5
235.02353	10.2
239.01836	2.0
241.01276	3.4
243.02942	0.6
245.00812	7.0
245.04550	0.5
246.01511	1.0
247.02367	10.3
248.03091	0.5
249.03946	2.2
257.00809	7.4
258.01517	0.8
259.02368	32.9
260.02798	1.2
261.03995	1.6
262.01013	1.5
263.01819	4.3
271.02573	0.7
273.00293	7.8
274.01083	3.4
275.01843	15.2
276.02615	6.4
277.03418	100.0
278.03714	2.1
285.00290	5.6
286.01025	0.7
287.01926	1.7
288.02557	1.0
289.03400	3.4
291.01343	2.7
291.04391	0.5
300.99786	1.9
302.00470	1.1
303.01331	87.2
304.01724	1.9
305.02850	2.8
313.06644	0.4
315.01422	0.8
319.00867	5.0
321.02353	3.6
328.99179	1.1
331.00833	1.4
333.02368	6.7
335.04013	0.5
351.03458	28.4
352.03787	0.9
355.04047	0.4
367.04407	0.6
371.03793	0.5
385.05484	0.5
399.03711	0.5
411.03409	0.7
421.03876	1.0
429.04459	2.4
445.04102	0.9
447.05240	0.7
459.05548	0.7
463.05026	0.6
477.00412	0.6
477.06607	7.4
495.07538	1.2
647.28137	0.4
797.08112	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	797.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06963	0.3
56.90707	0.3
57.03427	0.5
58.19596	0.3
67.71246	0.3
68.99778	0.5
69.03426	16.5
69.37296	2.0
69.37715	0.7
71.01347	0.9
71.04987	0.7
79.05471	0.5
81.03411	31.5
83.01328	0.9
85.02905	4.4
86.11104	0.3
87.35719	0.3
89.03908	0.7
91.05463	1.0
95.01311	0.4
95.04934	0.3
97.02888	3.9
99.04424	1.6
101.02361	0.6
102.30547	0.3
103.05450	1.0
105.03377	0.5
107.04940	1.1
108.02087	0.3
109.02873	18.0
111.04432	0.6
115.37730	0.3
117.03369	1.2
119.04936	0.9
123.04388	0.6
127.03912	6.4
129.03363	0.7
131.04930	1.2
133.02837	1.6
134.03630	0.4
135.04387	1.1
145.02841	0.9
145.04945	0.7
147.04405	1.9
151.03871	0.8
153.01779	1.4
157.02814	1.2
159.04387	0.6
161.02310	3.0
162.03235	0.6
163.03903	4.9
165.01834	0.9
171.00777	0.4
173.02348	2.5
174.03084	0.5
175.03906	2.7
177.05513	0.5
179.03410	1.6
181.01309	0.5
184.07362	0.3
185.02318	1.5
187.03929	4.9
189.01823	6.2
190.02634	1.5
191.03381	5.7
193.01297	0.8
193.04939	0.4
199.03836	0.3
201.01825	5.6
202.02550	0.8
203.03352	4.9
205.04987	0.9
207.02887	4.5
209.00739	0.4
209.04427	0.4
213.01891	3.3
215.03381	5.0
216.00484	0.4
216.03976	0.3
217.01311	10.0
218.02057	5.2
219.02879	7.6
221.00771	1.8
221.04420	1.0
228.66251	0.3
228.68665	0.3
229.01320	6.0
230.02069	1.1
231.02866	20.3
232.03387	0.7
233.00783	0.4
233.04428	1.6
234.01534	0.6
235.02368	13.1
236.02782	0.3
239.01843	1.7
241.01335	3.7
243.02921	0.9
245.00780	6.9
246.01414	1.0
247.02354	9.8
248.03078	0.6
249.03969	1.9
253.03374	0.3
255.02728	0.3
257.00790	8.9
258.01474	0.5
259.02362	31.4
260.02798	1.3
261.00418	0.3
261.03946	2.0
262.01001	1.7
263.01877	5.4
269.04401	0.6
271.02295	0.5
273.00293	8.8
274.01093	4.5
275.01852	14.9
276.02603	6.4
277.03412	100.0
278.03760	2.0
285.00284	6.4
285.03543	0.2
287.01965	2.1
287.04620	0.3
288.02637	0.8
289.03381	3.6
291.01376	3.2
300.99854	2.4
302.00510	0.8
303.01321	94.0
304.01755	2.5
305.02832	3.5
309.02359	0.4
311.05270	0.3
315.01315	1.2
319.00824	7.7
321.02374	4.6
328.99298	0.8
331.00647	1.7
333.02399	8.3
335.04019	0.4
349.01984	0.7
351.03439	32.2
352.03809	0.5
355.04507	0.4
385.05640	0.4
393.02661	0.3
399.03030	0.4
411.03491	1.1
417.04572	0.5
421.04114	1.0
429.04504	1.9
431.05679	0.5
445.04071	1.7
447.05319	1.1
459.05438	1.0
463.05042	2.2
477.06583	8.8
495.07623	3.7
571.20862	0.3
762.09424	0.3
797.08185	7.6
798.07825	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	0.4
61.32807	0.2
61.97989	0.2
66.82873	0.2
68.99771	0.5
69.03423	15.9
70.23174	0.5
70.23566	0.4
71.01348	0.8
71.04981	0.7
77.03915	0.3
79.05491	0.3
79.18372	0.2
81.03410	27.6
82.03760	0.5
83.01342	0.9
85.02901	2.2
88.41339	0.2
89.03923	0.4
91.05464	0.8
95.04939	0.4
97.02890	3.2
97.03497	0.3
98.85715	0.2
99.04452	1.4
101.02351	0.2
103.05470	1.1
105.03391	0.7
107.04941	0.7
109.02868	15.6
111.04420	0.7
117.03367	1.1
119.04910	0.7
123.04418	0.3
127.03899	5.5
129.03387	0.3
131.04912	1.1
133.02841	1.6
134.03606	0.2
135.04413	0.7
137.02327	0.4
139.03877	0.3
145.02803	1.0
145.04929	0.2
146.03665	0.3
147.04396	1.8
149.02336	0.2
151.03889	0.4
153.01813	0.7
157.02837	1.3
159.04382	0.8
161.02332	2.9
162.03046	0.3
163.03911	3.8
165.01834	0.8
173.02325	2.5
175.03883	2.5
177.01869	0.5
177.05490	0.4
178.02628	0.2
179.03325	1.5
181.01399	0.2
183.03142	0.2
185.02287	1.4
187.03886	4.0
188.00945	0.2
189.01808	5.9
190.02663	1.1
191.03371	5.9
191.05035	0.3
192.03992	0.3
193.01344	0.5
193.04985	0.5
194.11708	0.2
197.05948	0.3
201.01797	6.0
202.02547	0.7
203.03368	4.7
205.01384	0.3
205.05011	0.6
206.02052	0.3
207.02887	3.4
209.00854	0.4
211.00461	0.2
213.01811	3.1
213.03607	0.3
215.03357	4.2
217.01308	11.8
218.02087	2.4
219.02870	6.4
221.00864	1.4
221.04370	1.1
223.02399	0.2
224.03157	0.2
229.01318	4.7
230.02113	0.5
231.02859	20.2
232.03349	0.8
233.04492	1.2
234.01575	0.7
235.02342	10.7
236.02843	0.3
238.01244	0.4
239.01875	0.4
241.01299	3.1
243.02817	0.4
245.00797	8.8
246.01443	0.9
247.02362	8.8
248.02922	0.5
249.03903	2.8
253.03415	0.8
257.00797	7.8
258.01483	0.7
259.02356	31.9
260.02740	1.2
261.03934	1.4
262.00964	1.1
263.01849	5.3
269.04553	0.4
271.02225	0.3
271.99573	0.4
273.00278	9.7
274.00952	1.3
275.01837	13.5
276.02621	6.4
276.05249	0.2
277.03403	100.0
278.03726	2.5
285.00278	5.3
285.03317	0.4
286.01038	0.4
287.01862	2.0
288.02594	0.3
289.03378	1.4
291.01297	3.7
291.04581	0.4
297.03909	0.3
300.99835	3.9
301.03366	0.2
302.00565	0.9
303.01312	88.5
304.01675	2.6
305.02896	3.2
309.02286	0.3
315.01242	0.5
317.02841	0.3
319.00809	5.6
320.04068	0.2
321.02359	3.0
323.04068	0.5
325.03317	0.3
328.99176	0.6
331.00708	1.8
333.02365	4.9
335.03903	0.6
339.04968	0.5
349.02060	0.7
351.03424	26.2
352.04025	0.5
361.01956	0.3
367.04391	0.3
371.03995	0.3
385.05640	0.4
389.05048	0.4
393.02457	0.3
399.03714	0.5
411.03394	0.7
417.04346	0.5
421.04016	0.7
429.04510	2.1
445.04089	1.5
447.05371	1.0
449.06778	0.4
459.05325	0.8
463.05099	1.3
477.06638	7.3
495.07639	0.9
574.77618	0.2
765.05847	0.3
797.08160	8.5
798.08276	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11787	0.2
57.03406	0.6
63.84297	0.2
69.03425	16.0
71.01346	0.6
71.04963	1.0
71.33389	0.5
77.03918	0.3
78.04655	0.3
79.05478	0.6
81.03412	31.9
82.03745	0.3
83.01311	0.9
85.02428	0.4
85.02901	5.2
89.03915	0.7
91.05462	1.2
95.01295	0.4
95.04945	0.3
97.02892	3.0
99.04437	1.2
101.02374	0.4
102.91466	0.2
103.05431	0.9
105.03379	0.6
107.04929	0.5
109.02872	16.6
111.04401	1.0
113.02356	0.2
117.03400	0.5
119.04911	1.0
123.04365	0.3
127.03907	4.9
129.03329	0.4
131.04933	1.3
133.02832	1.6
135.04382	0.6
137.02310	0.4
145.02858	1.3
146.03568	0.3
147.04395	2.3
151.03873	0.5
153.01817	0.5
157.02841	1.4
158.96130	0.3
159.04404	0.9
160.01483	0.3
160.05154	0.3
161.02307	2.4
162.03096	1.0
163.03905	4.7
165.01797	1.0
173.02367	2.6
174.03159	0.4
175.03917	2.9
177.01759	0.3
177.05490	0.5
179.03444	1.3
185.02312	1.6
187.03886	6.0
189.01807	4.4
190.02661	1.5
191.03395	6.2
192.04106	0.5
193.01315	1.0
193.04987	0.3
201.01820	5.9
202.02600	0.9
203.03386	5.8
205.01288	0.4
206.02203	0.5
207.02890	5.1
209.00887	0.3
211.00333	0.4
213.01811	3.5
215.03366	5.2
216.00578	0.3
216.03928	0.3
217.01317	6.6
218.02092	5.9
219.02888	8.5
221.00797	2.3
221.04449	1.1
229.01315	5.1
230.02008	1.0
231.02867	24.0
232.03595	0.9
233.04428	1.4
234.01561	0.7
235.02356	11.3
236.02928	0.5
239.01880	2.4
241.01300	3.7
243.02777	1.3
245.00804	6.6
246.01588	1.2
247.02367	11.3
248.03062	0.8
249.03922	1.6
253.03531	0.4
257.00800	8.2
258.01520	0.7
259.02359	36.1
260.02902	1.1
261.03937	2.1
262.01117	1.8
263.01804	3.5
271.02310	0.8
273.00278	7.4
274.01074	4.9
275.01846	15.1
276.02640	7.4
277.03412	100.0
278.03711	2.6
285.00272	6.3
287.01877	2.0
288.02432	1.2
289.03430	4.9
291.01352	3.2
291.04727	0.5
300.99881	2.3
302.00769	1.2
303.01328	91.2
304.01672	3.0
305.02853	3.6
315.01492	1.3
315.04749	0.4
319.00833	5.1
321.02448	2.9
328.99344	0.3
331.00763	1.2
333.02399	7.3
339.04987	0.6
349.01797	0.6
351.03439	29.0
352.03766	1.2
355.04575	0.4
357.05902	0.4
383.04123	0.3
385.05789	0.5
399.03448	0.5
411.03510	1.1
421.03854	1.2
427.02484	0.3
429.04315	1.8
445.04144	1.0
447.05579	0.8
459.05588	0.9
463.04919	0.4
477.06577	7.9
495.07736	1.0
770.19550	0.3
797.08307	6.6
798.08081	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	795.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24647	0.5
56.96548	0.7
57.03439	2.7
61.02925	5.1
65.03933	1.1
66.04713	0.5
67.05496	3.7
69.03426	3.1
69.07059	1.9
70.06579	0.7
70.73537	1.3
70.73895	1.3
71.04984	0.9
73.02906	4.2
79.05499	3.2
81.03411	4.7
81.07047	4.0
83.04967	1.6
83.08632	2.2
85.02905	6.9
86.09693	1.2
91.03487	0.6
91.03930	3.4
91.05479	2.9
93.07022	3.0
95.04987	1.4
95.08627	1.3
97.02886	5.2
97.06552	0.8
97.10132	0.6
97.82316	0.5
99.04448	1.3
101.02390	2.1
105.07024	2.3
107.04948	0.7
107.08608	2.6
109.02892	0.9
109.06606	0.5
109.10190	1.4
111.04425	0.6
111.08129	0.6
119.04973	0.6
119.08589	1.7
121.06483	0.6
121.10136	1.0
123.04404	0.9
124.99989	0.6
125.09684	0.7
127.03933	2.5
129.05499	1.7
129.06999	0.7
131.08585	0.8
133.10170	1.5
135.08066	0.7
135.11705	2.1
138.54803	0.6
139.03825	0.7
145.04996	1.2
145.10176	0.9
147.04466	0.9
147.11690	0.6
149.01254	0.7
149.02365	1.7
149.09583	0.7
149.13351	0.7
149.28909	0.6
157.10133	1.2
159.11771	0.6
163.11182	0.6
175.11191	0.9
177.05493	0.6
177.12810	0.9
184.07347	5.2
185.04173	4.0
185.07767	0.6
193.05017	0.8
193.12199	1.3
196.38435	0.6
199.05865	0.7
200.20175	1.2
201.03770	1.8
223.13223	0.7
241.06992	1.0
243.08368	5.0
251.12607	2.4
255.15944	0.7
259.08032	0.6
267.09158	0.6
285.10236	0.8
291.15845	0.7
301.08914	11.8
301.12070	0.8
311.11172	0.7
315.10632	3.3
327.10577	1.2
333.20413	3.6
349.16373	2.1
355.13730	0.9
357.15366	1.3
369.15329	1.3
371.16833	1.1
373.10999	4.3
373.23431	1.5
383.16718	2.0
385.18259	5.0
387.12515	1.0
395.16858	1.3
413.18036	1.5
429.17682	2.2
431.24164	2.0
433.25839	1.7
439.19537	4.4
443.19064	3.4
453.21088	1.5
457.20428	0.9
469.20468	11.3
477.24734	1.4
481.20306	4.3
485.19742	2.0
499.21893	2.5
515.33606	0.9
528.21851	2.2
541.22449	6.1
551.28253	4.2
567.25958	0.9
569.25983	1.7
589.45862	0.7
610.29633	0.8
611.30261	0.9
612.31335	1.1
613.07007	0.7
623.31061	2.6
625.32074	1.3
637.32178	1.0
641.21643	0.6
641.31006	2.8
667.32910	10.7
693.38257	2.1
709.33875	13.3
749.40826	3.6
777.40820	3.0
795.41193	100.0
796.41986	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	795.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	2.8
60.08125	1.0
61.02928	5.7
63.31192	0.8
67.05505	5.5
69.03426	3.7
69.07061	1.5
69.22076	0.8
70.06599	1.2
71.59406	1.0
71.59861	1.4
73.02916	4.5
79.05492	3.8
81.03408	3.7
81.07068	4.7
83.04962	0.9
83.08611	1.0
85.02909	6.2
91.03957	3.8
91.05487	3.5
93.07030	4.5
95.04977	1.7
95.08607	1.5
97.02911	5.6
97.06540	2.1
99.04492	1.5
101.02404	2.5
105.07045	3.8
107.04961	1.1
107.08609	3.1
109.02883	1.4
109.10159	1.8
119.08606	1.7
121.10141	1.4
123.04431	1.1
127.03928	2.9
129.05481	2.2
131.08612	1.2
133.10143	1.9
135.11710	2.7
145.10153	1.1
145.25591	0.8
147.04419	1.1
147.11708	1.6
149.02335	1.8
157.10074	1.1
160.24088	0.9
179.21918	0.9
184.07404	3.1
185.04289	3.0
193.05049	1.5
194.05327	0.9
237.07607	0.9
243.08414	5.7
251.12511	1.7
278.96341	0.8
285.75677	0.9
301.09027	9.5
315.10440	2.0
315.19568	1.2
333.20618	2.3
357.15479	2.2
369.15378	1.2
373.11078	4.0
373.23560	1.1
385.18225	5.0
429.17392	1.8
431.24161	1.6
439.19342	10.0
453.21295	2.4
469.20349	9.4
477.24637	1.3
481.20508	2.9
499.21936	1.5
541.22485	9.1
551.28308	6.9
623.30597	4.0
625.31769	2.8
637.32092	1.5
651.33118	1.9
655.34894	1.0
667.32898	21.8
679.35150	1.0
681.34729	1.1
693.37390	2.4
694.38031	1.0
709.34094	4.6
749.40631	2.0
777.40570	3.4
795.41339	100.0
796.40961	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	792.5612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
55.05507	13.5
57.03433	9.8
57.07061	1.8
61.02913	2.5
61.91423	0.5
65.03931	2.8
67.05500	59.9
68.23177	0.6
69.03426	1.4
69.07065	13.7
71.04986	2.3
71.08630	0.8
71.50664	1.5
79.05489	34.3
81.07052	56.0
83.04977	2.0
83.08624	7.4
85.02878	2.3
85.06517	1.8
91.03929	1.1
91.05470	20.0
93.07040	42.3
95.04974	3.5
95.08602	46.4
97.02915	0.9
97.06503	2.9
97.10168	3.0
99.08096	1.2
105.07029	17.6
105.49809	0.7
107.08586	23.2
109.06523	1.4
109.10152	19.4
109.10912	0.8
111.08079	1.2
111.11707	0.6
116.03329	0.7
117.07011	6.4
119.08578	15.3
121.10141	19.6
123.08048	0.8
123.11700	6.8
125.09592	1.0
129.06973	1.8
131.08562	12.3
133.10120	12.6
135.11688	12.8
137.09644	0.9
137.13249	3.2
141.38237	0.6
143.08549	1.8
145.10117	8.4
147.11690	9.9
149.13239	7.9
151.11180	0.8
151.14766	0.7
155.08597	0.6
157.10112	1.6
159.11676	8.3
161.13266	8.2
163.11172	0.7
163.14830	4.5
165.12698	0.7
171.11693	2.3
173.13251	7.4
175.14796	3.4
177.16318	1.4
185.13197	1.9
187.14777	3.7
189.16463	0.8
199.13156	0.6
199.14862	1.7
199.27049	0.5
201.16357	2.2
226.97964	0.7
233.18889	0.7
233.22598	1.1
241.19521	3.2
243.21140	4.9
259.20587	8.2
261.22134	17.2
263.23740	1.9
273.22089	0.8
277.21686	1.0
279.23355	0.8
299.23624	0.8
303.26886	0.7
317.24765	3.6
333.24203	6.0
335.25784	100.0
336.26071	1.9
337.27365	10.1
521.43445	2.0
529.39075	0.7
557.41791	0.6
595.47211	14.7
596.48193	0.7
613.38861	1.1
613.48218	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	792.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	8.8
55.05266	2.0
55.05509	25.4
57.03183	1.7
57.03436	18.7
57.07059	2.8
59.05004	1.4
61.02915	3.5
65.03922	3.7
67.05504	67.1
69.03436	8.8
69.06722	1.9
69.07069	28.8
69.26058	12.0
71.04988	9.1
73.02911	2.3
76.68220	1.1
77.03920	1.4
79.05490	51.4
81.03414	77.7
81.07053	100.0
83.04980	21.9
83.08620	40.9
85.02423	1.9
85.02901	29.9
85.06540	5.4
91.03938	1.8
91.05478	57.9
93.07040	52.7
95.04964	35.6
95.08604	35.9
97.02882	7.3
97.06527	14.3
97.10167	11.0
99.04430	2.1
99.08070	4.2
103.05447	2.1
105.04551	1.1
105.07027	45.2
107.04953	16.3
107.08589	34.3
109.06525	14.6
109.09451	1.6
109.10148	19.5
111.04456	4.1
111.08080	17.1
113.06022	3.8
113.09647	1.4
115.05430	2.3
117.07022	12.5
119.04913	2.8
119.08572	35.6
120.08912	1.1
121.06514	5.0
121.10131	26.4
123.04408	3.4
123.08062	6.8
123.11713	9.1
125.08790	1.3
125.09592	7.6
127.03913	1.7
127.07549	1.2
129.05481	1.3
129.06990	14.7
131.04933	1.9
131.08560	27.8
133.06453	5.5
133.10129	29.6
134.10466	1.4
135.08066	5.0
135.11665	8.9
137.05911	2.4
137.09602	4.7
137.13274	1.8
139.03860	1.5
139.11171	2.1
141.06999	1.7
142.07741	3.2
143.08572	3.5
145.06459	1.3
145.10121	12.9
147.04390	2.4
147.08047	4.8
147.11687	31.0
149.09625	15.3
149.13240	16.6
150.09100	2.7
151.03896	1.7
151.07565	1.3
151.11172	2.4
152.07118	1.0
153.01820	6.7
155.08574	2.0
157.10112	20.6
159.11693	12.2
161.09694	1.3
161.13246	2.9
163.11172	7.7
165.12743	7.2
167.07042	2.0
169.10139	3.0
171.11670	3.7
173.11766	2.4
173.13277	3.9
175.11185	21.0
177.05473	2.2
177.12779	5.6
179.14285	1.2
181.04823	1.2
181.79520	1.1
183.11618	2.7
184.07346	2.0
185.13240	1.4
187.11116	1.5
187.14709	1.3
189.11172	1.6
193.12239	50.7
195.13795	4.0
197.13316	1.5
201.12843	1.4
211.13269	51.5
212.13737	1.0
227.12735	6.7
229.14395	5.2
229.19504	1.6
239.17938	2.9
247.20488	2.7
257.19080	6.0
267.15924	33.3
269.17459	31.9
275.16949	1.2
275.20050	36.5
285.16965	57.6
293.21091	6.0
331.22632	1.8
337.11728	1.3
341.14041	1.2
349.19449	1.1
349.23712	29.8
367.24826	12.7
369.24304	1.3
421.25882	1.7
439.26895	12.2
443.27539	2.2
461.28976	37.1
467.31348	2.3
479.30029	98.3
480.30188	2.5
485.32813	1.5
523.34650	1.6
541.35181	28.3
559.36304	57.2
560.36566	1.7
577.37378	23.1
598.27252	3.3
623.33820	3.8
792.39032	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	791.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
55.05494	1.2
61.02916	1.9
65.03918	0.9
67.05513	5.5
69.03415	2.0
69.07044	1.3
70.06587	10.0
71.60394	1.2
72.08150	1.1
73.78407	0.8
79.05473	1.5
81.03398	2.5
81.07035	2.5
85.02882	3.4
85.07660	1.1
86.09684	3.2
91.05466	2.2
93.07040	2.9
94.06568	6.1
95.04961	1.4
95.08587	2.3
97.02882	2.2
101.99340	0.8
105.06984	2.1
106.06544	1.1
107.04954	1.6
107.07334	5.8
107.08600	0.9
108.04483	1.4
108.08097	3.9
109.10150	1.8
118.06493	1.2
119.08604	2.0
120.08092	1.8
122.06020	17.2
122.09656	11.0
125.98069	0.8
127.03890	1.0
129.06973	0.8
131.08563	1.2
133.10138	2.5
134.06007	3.6
135.06792	1.4
136.07567	6.2
137.05960	1.8
138.09085	1.5
139.03848	1.0
145.10060	1.0
146.06012	2.3
147.04384	3.2
148.07565	1.8
150.09129	55.4
151.03874	1.1
152.06998	1.4
153.01799	3.8
160.03940	4.3
164.07101	5.6
166.08643	6.6
167.07031	1.8
172.04033	1.2
172.07591	0.9
174.05518	1.0
175.07744	0.8
177.05528	1.2
178.04903	1.6
184.07384	1.1
199.08588	1.3
204.06601	2.1
211.08580	0.9
211.12265	1.8
213.10197	1.0
221.10608	1.3
223.08624	6.0
223.12216	1.0
224.13101	1.2
225.10196	18.4
226.10925	3.2
227.11780	3.1
235.08632	2.4
235.12306	2.7
236.09363	1.4
237.10289	8.0
237.13734	4.3
238.10979	6.8
239.08154	5.5
239.11725	11.0
240.08644	1.1
240.12485	3.0
241.09738	1.6
243.11192	1.9
247.12321	1.8
248.09489	2.6
249.10175	9.3
250.10927	11.1
251.08107	7.2
251.11787	25.6
251.14430	1.6
252.12599	4.7
253.09709	4.4
253.13342	9.0
254.10432	8.0
255.11200	1.8
261.10162	1.2
263.08710	1.6
263.11786	18.4
264.08987	2.8
264.12567	13.8
265.09738	10.0
265.13318	32.6
266.10498	4.6
266.13742	4.1
267.08670	1.0
267.11218	4.6
267.14865	3.4
269.12759	1.4
271.10715	1.5
275.11606	1.5
277.09677	3.0
277.13245	1.2
278.10513	5.1
279.11237	12.5
280.12073	1.4
281.12784	11.1
282.13544	2.0
283.10764	9.5
283.14471	3.4
284.11612	1.6
285.12350	6.9
286.13019	1.3
291.11325	4.6
292.12027	2.6
293.12814	12.0
294.10788	0.9
294.13681	7.8
295.10721	4.6
295.14371	3.4
296.11490	6.4
297.12311	8.1
298.13098	2.4
299.13885	7.5
301.09024	1.6
307.10709	1.8
308.11520	1.2
309.12308	54.3
310.12857	5.2
311.13879	35.7
312.14407	1.3
319.10782	4.8
320.11450	3.4
321.12274	8.9
323.10010	1.3
324.10919	2.9
325.11371	2.0
326.12805	1.2
327.13376	51.3
328.13821	2.1
337.11810	18.5
338.12567	15.1
339.13354	24.8
341.15039	1.5
344.13763	1.6
353.14685	1.2
356.14017	1.1
357.14404	8.7
358.15192	1.2
359.16071	5.6
369.14401	43.6
370.15225	5.6
371.15976	54.5
372.16531	2.4
385.17914	0.9
386.18784	1.9
404.19528	4.2
406.13986	1.0
414.18140	3.3
416.19687	22.3
430.17587	2.5
432.19128	9.4
439.42783	0.8
442.17685	4.8
448.18674	11.0
458.20456	1.5
460.18649	100.0
461.18970	2.5
474.20105	4.5
476.21786	38.4
478.19608	3.0
480.21249	26.4
492.21262	90.0
493.21368	3.6
501.22815	1.5
506.22925	1.4
507.23016	1.1
508.24109	1.8
529.22614	1.6
579.26001	3.1
597.27020	53.4
598.27362	2.1
629.29889	6.2
636.33441	3.0
791.40387	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	790.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.1
55.05509	42.0
57.03152	1.0
57.03434	22.9
57.07067	2.8
59.04998	41.8
61.02916	2.7
62.18903	0.9
65.03931	3.7
67.05501	100.0
69.03413	6.3
69.07069	17.3
70.54446	3.1
71.04987	14.5
71.08650	1.4
73.02916	2.0
77.03928	1.1
79.05489	47.0
81.03407	6.1
81.07053	62.7
83.04990	7.0
83.08604	14.4
85.02899	6.8
85.06547	4.6
87.04462	62.7
89.06038	1.5
90.28646	1.1
91.03933	1.4
91.05476	28.1
93.07038	45.5
93.07628	2.2
94.02210	1.1
95.04966	8.6
95.08601	41.9
97.02877	3.2
97.06516	4.5
97.10165	22.1
99.04445	21.1
101.06039	1.5
105.07021	15.4
107.04950	3.6
107.08588	27.6
109.06506	3.6
109.10146	62.5
111.04430	2.9
111.08086	3.8
115.03918	1.7
117.06998	6.9
119.07764	1.7
119.08573	15.1
121.06535	1.6
121.10133	20.9
123.08047	1.4
123.11717	4.6
125.09624	18.8
127.03893	1.9
129.02531	1.0
129.05478	1.2
129.06989	2.8
131.08546	9.3
133.10126	10.7
135.08063	2.1
135.11702	11.6
137.09628	4.3
137.13193	1.5
143.08540	1.5
143.10657	2.5
145.10110	9.3
147.08087	1.7
147.11684	7.9
149.09538	2.2
149.13210	6.1
151.11113	1.3
155.08508	1.3
155.10637	2.4
157.10094	2.9
159.11734	6.7
161.13263	3.9
163.11165	4.9
163.14825	2.4
169.10052	1.2
171.11653	2.0
173.11731	18.9
173.13254	4.2
175.14859	2.8
177.12680	1.2
178.81351	1.0
181.12270	1.3
185.13228	1.4
187.14859	2.2
189.11189	2.0
189.16458	1.1
191.10655	2.9
193.12233	2.1
199.13257	14.9
199.14885	1.1
201.16383	1.3
209.11798	1.8
214.81952	1.0
217.14320	1.4
223.13245	2.7
227.12817	5.9
229.14340	48.1
241.14262	4.9
243.21049	4.1
257.13931	1.6
259.15366	2.0
259.20648	2.4
261.22131	12.7
267.15878	6.7
273.22070	1.3
277.21780	1.6
283.15430	2.1
289.21588	1.6
315.17993	9.9
317.24792	2.3
333.18994	3.1
333.23691	1.2
335.25787	71.6
336.26379	1.4
363.25211	5.4
451.31665	1.2
459.34503	2.9
477.35791	27.7
478.35654	1.2
489.35712	56.1
490.35999	2.5
517.35211	3.1
525.35474	1.2
543.36725	5.2
561.37756	2.8
575.39178	4.3
593.40125	4.3
681.70428	1.0
721.79755	1.4
746.35974	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.8
55.05506	37.1
57.03435	18.5
57.07054	3.2
59.04994	37.9
61.02914	6.1
65.03930	2.9
67.05499	100.0
69.03426	6.3
69.07056	17.5
71.04981	14.8
71.08611	1.2
71.33437	2.4
73.02908	2.1
74.01897	1.1
75.60069	1.2
79.01221	1.2
79.05486	41.0
80.04830	1.2
81.03416	6.3
81.07050	56.8
83.04983	5.8
83.08611	18.3
85.02893	6.9
85.06544	2.6
87.04457	50.3
87.22536	1.2
91.03949	1.6
91.05473	26.6
93.07037	45.1
95.04963	7.8
95.08599	35.6
97.02892	4.6
97.06527	4.7
97.10168	19.1
99.04440	15.7
99.08014	1.7
101.06077	1.4
105.07029	16.4
107.04948	1.6
107.08591	24.4
109.02908	1.5
109.06521	3.9
109.10143	60.3
111.04418	4.0
111.08066	5.2
112.34062	1.3
115.03952	1.6
117.07003	6.8
119.08557	13.7
121.10125	19.1
123.04544	1.4
123.08053	1.5
123.11711	5.3
125.09615	17.3
127.03960	1.6
128.33740	1.2
129.07005	2.7
131.08554	8.6
133.10124	9.5
135.07980	1.6
135.11684	10.7
137.09618	4.1
137.13185	1.3
139.11171	2.1
141.07039	1.3
143.08542	1.6
145.10104	10.5
147.11659	6.9
149.09566	2.4
149.13243	6.0
151.11157	1.3
153.12740	1.7
155.10622	2.0
157.10081	2.6
159.11641	5.8
161.13284	5.4
163.11150	6.5
163.14821	3.3
171.11754	1.8
173.11736	17.8
173.13303	4.3
175.14883	1.8
177.12782	1.7
184.07307	2.9
185.13263	1.8
187.14853	1.7
189.11145	2.5
191.10669	1.8
193.12306	2.5
199.13260	8.2
199.14873	1.4
209.11627	2.2
217.14391	1.3
227.12796	6.7
229.14342	44.9
241.14378	4.3
243.21167	4.8
245.22495	1.1
257.13745	2.2
259.20743	1.6
261.22092	13.8
267.15924	4.5
275.20135	1.7
305.69244	1.9
315.18213	6.2
317.24673	1.7
327.23260	1.5
333.19257	1.7
335.25760	64.4
336.25964	2.4
363.25388	3.1
391.47076	1.3
477.35654	20.5
489.35696	52.7
517.35297	2.5
525.35712	2.1
531.40350	2.0
543.36700	3.7
561.38171	1.8
575.39105	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	790.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	6.7
55.05259	2.2
55.05510	26.0
57.03434	10.5
57.07076	2.9
59.04983	2.0
61.02911	3.3
65.03954	1.8
65.06138	1.6
67.05501	52.3
69.03413	5.0
69.07063	16.0
69.36433	13.9
69.36839	3.7
71.04985	10.4
73.02895	1.7
77.19420	1.7
79.05056	3.3
79.05488	45.1
81.03413	35.1
81.07053	59.4
83.04998	9.5
83.08621	18.6
85.02898	3.9
85.06541	6.8
91.05475	48.7
91.13610	1.7
93.07036	44.5
94.07325	2.5
95.04969	18.0
95.08600	26.6
97.02872	4.8
97.06533	8.7
97.10143	9.9
99.04451	1.8
99.08096	1.8
103.05447	1.9
105.07027	44.9
107.04964	10.5
107.08590	28.8
109.06508	6.4
109.10146	12.1
111.04416	2.1
111.08061	6.2
111.43625	1.5
115.05476	2.5
117.07008	14.7
119.08576	31.5
121.06509	6.3
121.10124	21.9
123.08052	6.1
123.11662	4.8
125.09624	7.5
128.06241	2.4
129.05457	2.2
129.06989	15.4
131.08556	29.5
133.06503	2.5
133.10133	25.4
135.08037	7.2
135.11700	11.4
137.09598	4.9
139.11168	2.0
141.06999	2.9
143.08569	10.2
145.06467	3.1
145.10100	19.1
147.08052	2.7
147.11671	19.5
149.09578	5.5
149.13268	7.1
155.08543	2.4
157.10147	13.6
159.08060	3.4
159.11691	19.4
161.09689	3.1
161.13257	7.8
163.11168	6.1
169.10127	7.1
171.11641	11.0
173.09599	2.3
173.13268	6.6
175.11195	3.6
175.14844	2.8
177.12805	3.2
181.10054	4.2
183.11681	4.7
184.07303	3.1
185.13284	4.9
187.14798	3.2
189.11174	4.9
189.12753	2.7
193.12212	5.9
195.11693	3.2
195.13731	1.8
197.13245	4.6
199.14819	4.3
209.13345	2.5
211.11198	2.1
213.16304	2.1
217.15875	2.2
221.13373	2.1
223.14824	1.8
227.12737	5.9
229.14310	4.7
241.19511	6.1
254.78322	2.1
259.20483	12.8
267.15887	18.1
269.17371	5.5
275.20081	5.2
285.22394	1.9
291.19431	2.2
299.23727	5.6
301.16452	2.8
301.19876	4.2
313.21790	1.9
333.24353	8.2
335.35208	1.9
349.23981	3.2
421.26028	9.2
423.26944	2.9
433.30838	6.6
435.27426	6.3
437.28955	2.6
449.28967	2.3
451.31851	5.8
463.30496	2.3
469.33212	3.4
477.28445	4.1
481.31622	2.0
495.29208	3.4
499.33990	4.3
503.33752	2.9
507.34872	3.4
517.35217	8.4
525.35773	45.4
526.36652	2.1
543.36816	100.0
544.37000	4.9
557.38440	10.9
567.37103	2.1
575.39581	18.2
791.40991	3.5
792.18445	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	20.0
55.05508	43.6
57.03430	31.0
57.07069	7.2
61.02918	11.3
65.03929	6.0
67.05499	95.8
68.05811	1.6
69.03422	15.8
69.07061	35.0
69.29839	1.7
69.30166	15.6
71.01320	1.7
71.04990	16.0
71.08614	2.7
73.02914	10.9
75.19384	1.4
77.03922	2.3
79.05486	84.1
80.05819	2.0
80.06259	1.8
81.03414	36.5
81.07050	100.0
82.04195	6.9
82.07384	2.2
83.04482	1.8
83.04974	28.0
83.08607	25.0
84.05721	1.4
85.02892	15.6
85.06532	7.5
87.04451	1.4
91.03947	4.8
91.05470	89.0
92.05779	2.8
93.07037	84.8
94.07308	1.7
95.04357	2.1
95.04962	38.8
95.08595	43.7
95.77517	1.2
97.02872	14.5
97.05978	2.0
97.06520	19.9
97.10162	19.1
98.07286	5.5
99.04451	4.3
99.08094	7.2
101.05990	1.4
103.03944	1.5
103.05448	2.8
104.58003	1.3
105.07024	75.1
107.04937	11.1
107.08586	50.6
108.08880	1.5
109.02864	3.1
109.06512	12.8
109.10146	23.8
110.07333	1.8
110.10532	1.6
111.04415	2.5
111.08061	13.1
113.05965	1.9
113.09646	2.0
115.05422	5.2
116.04688	12.7
116.06216	1.7
117.07009	27.7
119.04926	1.5
119.08572	57.7
121.06481	8.2
121.10135	29.2
123.08048	18.5
123.11703	7.5
124.99928	1.8
125.09616	25.1
127.03903	4.4
127.07587	2.3
127.11186	1.5
128.06219	2.9
129.05469	36.4
129.06963	17.3
130.07774	3.7
131.08554	34.7
132.23108	1.2
133.06490	4.3
133.10115	51.7
134.10506	1.8
135.08051	10.5
135.11682	22.7
137.09593	4.9
139.07516	1.7
139.11116	2.2
141.06985	3.3
142.07765	3.6
143.07043	9.1
143.08507	11.2
145.04929	1.8
145.06465	3.0
145.10089	26.0
147.08002	4.2
147.11678	33.4
148.12062	2.0
149.09604	15.3
149.13252	17.3
151.11185	7.3
153.09117	3.2
153.12726	1.5
153.74503	1.4
155.08495	2.7
157.06531	1.9
157.08595	15.4
157.10106	17.6
159.08035	2.7
159.11674	22.8
160.12451	2.0
161.09608	2.8
161.13234	14.8
163.07404	1.5
163.11148	13.1
165.12743	3.3
169.10132	4.0
171.06520	3.8
171.10130	5.8
171.11681	12.4
173.09616	1.6
173.11694	3.7
173.13246	11.7
175.11121	7.2
175.14821	5.2
177.12762	6.1
179.14215	3.1
181.10158	1.5
181.12221	1.9
183.11638	4.1
184.07288	5.0
185.08095	1.7
185.11758	2.1
185.13245	5.9
187.11314	1.9
187.14856	3.3
189.11206	8.2
189.12640	2.7
193.12250	11.5
195.13780	5.8
199.11589	1.3
199.13237	6.1
199.14818	3.7
200.14058	2.4
201.14774	2.1
209.11696	4.5
210.12375	1.6
211.13290	4.4
215.14345	2.4
227.12750	16.9
229.14325	3.8
229.19479	2.7
231.21051	3.0
239.17917	3.7
241.19495	11.0
247.20488	1.7
253.14444	1.8
254.14719	1.9
255.15796	4.2
257.19003	6.7
259.20541	29.6
260.20770	1.6
267.15945	14.6
268.16257	3.0
269.17465	19.4
275.20026	23.8
276.20285	2.1
283.15347	4.8
285.16867	3.5
293.21042	1.9
301.16455	63.4
301.19937	3.1
302.16855	1.6
313.21579	3.0
315.23212	3.1
331.22751	1.7
333.24252	19.9
349.23636	14.3
350.24115	2.4
351.25247	2.7
421.26193	1.8
423.27213	4.2
437.28830	4.2
449.28882	4.4
451.31174	2.8
461.29205	2.7
463.30368	3.1
477.28656	2.4
478.28650	2.1
495.28561	18.7
507.29068	1.6
517.35297	6.1
525.35535	5.1
531.36108	1.8
541.35199	4.1
542.35577	4.3
543.36237	14.8
559.36115	8.8
575.36420	4.7
577.37372	3.6
593.36536	3.0
790.40234	1.5
804.40253	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	16.7
55.05509	39.6
57.03432	27.7
57.07065	2.8
59.04992	2.7
61.02927	7.5
61.34818	0.9
61.61462	0.9
65.03932	5.2
66.04721	0.9
67.05501	88.7
69.03434	13.7
69.07063	33.0
70.04208	1.4
70.11056	3.3
71.01347	5.5
71.04982	10.1
71.90979	0.8
73.02911	6.9
73.06565	1.0
79.05489	75.2
80.05844	0.9
80.06283	1.3
81.03414	62.5
81.07052	100.0
82.04183	2.1
82.07376	1.1
83.04475	1.3
83.04977	31.0
83.08617	31.9
84.02123	1.0
85.02905	21.8
85.06544	8.7
86.09713	2.1
87.04466	2.2
91.03966	3.3
91.05475	76.7
93.07040	68.5
95.04961	40.9
95.08600	38.7
95.09223	1.0
97.02888	11.7
97.06529	23.5
97.10161	13.1
98.07299	2.7
99.04446	3.1
99.08088	5.2
101.02383	0.9
101.06011	1.6
103.03955	1.0
103.05471	3.4
104.06277	0.9
105.04515	2.0
105.07027	50.3
107.04209	0.9
107.04948	17.8
107.08593	38.5
109.02856	2.2
109.06514	13.5
109.10146	18.3
111.04436	4.7
111.08079	15.2
113.06013	2.5
115.05446	3.3
115.07596	1.1
116.04699	7.3
116.06190	0.8
117.07017	17.6
119.04942	1.4
119.08574	35.4
121.06493	7.1
121.10130	20.6
123.04455	1.4
123.08058	13.9
123.11700	7.4
125.06013	1.5
125.09615	15.2
125.14477	0.9
127.03896	4.4
127.07539	1.4
128.06203	2.7
129.05478	18.3
129.06984	15.2
130.07849	1.3
131.04910	1.5
131.08562	28.3
133.06523	4.7
133.10126	38.5
135.08046	8.1
135.11681	24.2
137.06044	0.9
137.09639	6.2
139.07578	2.4
139.11176	1.7
141.06973	1.5
142.07793	3.7
143.07040	3.1
143.08556	4.6
145.04977	0.9
145.06465	2.3
145.10130	15.7
146.10983	1.0
147.08015	6.3
147.11676	20.7
147.12793	1.5
149.06070	1.0
149.09612	15.3
149.13263	11.8
151.11145	5.0
153.09096	1.5
153.12737	2.6
155.08525	2.0
155.10620	1.0
157.08624	8.0
157.10136	17.6
159.11684	11.1
161.09601	2.2
161.13271	2.6
163.11162	11.9
163.14778	1.3
164.11693	1.0
165.12732	5.1
166.03174	1.0
169.10158	2.5
169.12262	1.1
171.06525	2.2
171.10146	3.1
171.11708	3.3
173.04469	3.9
173.09589	1.6
173.11722	3.1
173.13261	3.2
175.11165	17.1
177.12708	4.7
179.10722	1.1
179.14250	1.0
181.12215	6.7
183.11687	1.6
184.07332	6.0
185.11774	1.3
185.13284	2.0
187.11232	1.0
187.13248	2.4
187.14793	1.1
189.11209	5.8
189.12752	1.8
191.10681	2.8
193.12225	44.0
195.13774	6.5
197.13249	1.7
199.11465	1.6
199.13232	7.1
199.14687	1.0
200.14061	1.2
203.14415	1.2
209.11772	3.8
210.12492	1.0
211.13272	47.0
213.14816	1.5
215.14368	1.2
223.13226	1.3
227.12732	10.5
227.17976	1.2
229.12311	1.2
229.14185	4.5
229.19313	1.0
233.15387	1.1
243.15938	6.8
247.20583	1.1
249.14946	1.2
253.14336	4.6
255.15875	27.2
257.18970	2.3
259.20749	1.1
263.16342	1.0
263.20087	1.4
267.15903	27.6
268.16727	1.9
269.17465	32.0
273.18463	7.7
275.20059	13.1
277.61734	0.9
283.15347	7.1
285.16953	36.0
286.17218	1.5
291.19559	5.1
297.17099	1.5
301.16440	40.7
323.18448	2.4
339.18051	1.1
347.22113	1.4
349.23682	13.0
365.23172	3.7
367.24789	2.1
381.22516	1.2
409.25708	2.0
411.27371	2.1
422.60397	1.0
423.27362	10.6
435.27261	2.5
447.27563	6.7
453.28421	6.0
459.27271	1.4
460.28003	2.0
461.29230	4.6
463.30753	2.6
465.28397	8.1
477.28488	5.7
478.29340	2.5
479.29987	4.2
479.57822	1.1
481.27817	7.9
495.29529	32.8
496.29724	1.4
503.33255	1.4
535.32184	1.0
541.35144	2.8
557.34204	3.0
559.36230	3.5
575.35858	9.7
576.35962	1.3
593.36523	3.3
731.24500	1.0
791.41461	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	19.2
55.04863	1.2
55.05505	40.2
57.03435	27.8
57.07072	1.9
59.04994	3.3
61.02921	7.3
61.79158	1.3
63.56298	1.3
65.03926	6.3
67.05499	98.8
69.03426	16.5
69.07064	61.7
70.85655	2.1
70.85995	2.6
71.01337	3.5
71.04990	13.6
73.02908	4.3
79.05489	80.5
81.02915	2.2
81.03413	88.6
81.07051	95.0
83.04973	32.1
83.08611	43.5
85.02896	35.6
85.06522	6.8
87.04493	2.0
88.44575	1.3
91.03950	4.5
91.05476	100.0
93.07040	69.7
95.04961	48.4
95.08601	57.3
97.02888	12.1
97.06519	28.4
97.10165	11.1
99.04450	3.0
99.08120	2.8
103.05473	2.2
105.07023	63.5
107.04949	21.3
107.08591	33.5
109.02887	3.5
109.06532	13.2
109.10148	37.5
111.04444	5.6
111.08064	16.3
113.06026	3.7
113.09621	2.2
115.03883	1.5
115.05441	4.2
116.04700	2.7
117.07014	20.0
119.08576	53.1
121.06487	6.6
121.10133	22.5
121.77697	1.2
123.08083	10.1
123.11701	5.9
125.09615	10.4
127.03896	3.5
127.07551	2.4
127.82918	1.4
128.06200	2.8
129.05482	7.5
129.06998	21.6
131.08559	33.5
133.06474	5.6
133.10127	40.9
135.08064	8.7
135.11679	12.0
137.09613	18.2
139.07443	1.7
141.06960	2.2
142.07733	4.5
143.06989	1.8
143.08597	5.5
144.09291	1.3
145.06456	2.6
145.10110	17.6
147.08060	5.8
147.11682	31.6
147.12787	2.5
149.09618	28.1
149.13269	5.8
151.11116	3.4
155.08565	3.2
155.10625	2.5
157.08745	2.0
157.10103	22.7
159.11688	13.8
161.09665	3.0
161.13260	6.4
163.11166	12.6
165.09123	3.0
165.12723	8.1
167.10687	1.2
169.10152	3.4
171.10243	2.6
171.11639	3.2
173.04472	2.8
173.11734	8.1
173.13277	4.6
175.11171	21.0
177.12714	3.2
179.14302	3.8
181.12140	1.8
183.11690	1.8
184.07393	2.3
184.13077	1.2
185.13289	1.8
187.11163	1.6
189.11238	3.8
189.12779	1.4
193.12225	62.9
194.12741	1.3
195.11795	1.6
195.13799	3.9
197.13374	1.9
199.13329	2.4
211.13283	79.9
223.13202	2.6
227.12756	5.8
229.14351	10.4
229.19461	3.2
239.18021	1.8
243.15947	4.2
247.20578	2.9
249.14888	1.6
253.14371	3.7
254.18449	1.5
254.60007	1.5
255.15929	5.7
257.19012	8.6
267.15897	36.2
269.17410	9.0
273.18503	4.1
275.20032	32.3
283.15381	2.6
285.16934	59.8
291.19583	8.8
293.21060	4.1
301.16470	8.8
331.22714	1.5
349.23700	40.9
365.23276	5.1
381.22672	4.7
421.25632	4.4
435.27664	1.7
439.26797	19.9
445.29602	2.4
447.27368	2.2
453.28516	4.5
463.30536	5.4
465.28281	4.1
479.29913	2.6
495.29852	2.9
523.34265	2.2
541.35193	15.6
557.34802	2.9
559.36285	36.8
575.35724	4.1
577.37103	4.8
593.36426	1.6
790.44745	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	11.8
55.05506	31.1
57.03154	2.0
57.03431	26.2
57.07061	1.6
57.85370	1.2
59.04993	2.0
61.02914	5.5
65.03940	5.5
67.05499	86.2
69.03427	18.4
69.07063	60.9
69.38567	5.9
69.38995	7.3
71.04990	28.9
71.05369	2.9
73.02911	9.4
79.05486	79.1
81.03411	74.8
81.07050	85.2
83.01312	2.2
83.04482	2.0
83.04973	32.8
83.08614	34.5
85.02901	32.8
85.06530	6.3
86.09706	1.4
87.04456	2.2
91.03944	2.4
91.05473	86.3
93.07036	69.4
95.04968	43.4
95.05499	0.9
95.08601	35.7
97.02879	16.2
97.06524	100.0
97.10170	10.1
98.06902	1.7
99.04474	4.9
99.08086	10.4
101.02405	1.6
103.05456	4.4
105.04547	2.4
105.07027	53.6
107.04951	20.8
107.08590	36.0
107.09288	2.9
108.20011	1.4
109.02877	6.4
109.06516	27.9
109.10145	14.3
111.04416	5.1
111.08067	20.4
113.05987	4.2
115.05476	3.5
115.07558	29.5
117.07008	21.4
119.04914	1.6
119.08574	41.9
121.06482	11.0
121.10137	26.0
123.04433	4.4
123.08064	9.9
123.11687	5.6
125.05994	1.9
125.09633	5.6
127.03888	7.7
127.07514	4.4
128.06224	3.6
129.05518	3.2
129.06998	25.5
131.04874	2.8
131.08562	37.8
133.06500	8.7
133.10118	38.1
133.11082	2.7
135.08055	16.4
135.11679	13.2
137.05988	2.0
137.09634	5.6
139.07561	2.3
139.11153	1.6
141.07018	4.0
142.07764	5.9
143.08559	12.0
145.06470	2.2
145.10115	21.3
147.04509	1.5
147.08015	10.6
147.11685	22.1
149.09625	16.9
149.13249	8.4
151.07614	1.6
151.11186	6.4
153.01805	3.8
154.07800	1.4
155.06093	1.5
155.08557	4.4
157.10136	22.2
159.08066	4.4
159.11681	12.5
161.09618	7.2
161.13240	2.3
163.07535	1.9
163.11134	12.6
165.12738	3.3
167.07034	2.5
167.08472	2.1
169.10101	4.3
171.11705	5.8
173.04475	8.2
173.09604	6.1
173.11862	2.1
173.13286	4.2
173.37180	1.4
175.11162	17.4
177.09119	1.4
177.12772	6.0
181.12231	2.2
183.11688	4.1
184.07297	6.7
185.09642	2.4
185.13278	4.4
187.11177	4.2
187.14861	1.7
189.11194	2.7
189.12726	3.0
189.16469	1.9
191.10704	3.6
193.12231	52.8
195.11725	1.8
195.13838	6.2
197.13368	1.8
199.11252	1.9
199.14743	3.5
201.07587	2.3
201.12823	2.8
203.14360	3.1
209.11699	2.3
211.13269	68.5
217.15849	14.7
219.13867	2.4
221.15436	3.1
223.13322	1.6
227.12773	5.7
229.14343	4.4
233.15413	5.8
235.16878	2.3
245.19044	6.0
251.16418	2.2
253.14261	6.8
255.17459	5.3
257.19202	1.5
260.74969	1.4
263.20126	2.0
267.15878	29.5
269.17447	28.4
273.15414	2.1
273.18475	45.1
275.20041	7.9
283.15430	18.2
285.16943	65.1
289.18161	2.4
291.19550	26.5
307.19125	5.7
309.20667	1.8
315.19766	2.0
323.18491	1.8
329.21213	2.0
331.22900	1.7
341.19412	2.1
341.23608	1.5
347.22073	15.9
349.23624	6.6
351.74109	1.6
365.23187	16.5
367.24777	2.6
383.24472	3.2
398.58539	1.6
437.25439	6.7
438.18872	1.6
447.27435	2.8
447.74799	1.5
461.28888	16.4
465.28967	4.8
477.28555	17.9
479.29996	32.2
481.27847	2.0
483.31290	2.9
494.08295	1.4
499.30231	4.0
501.32614	2.5
505.31766	1.7
507.29581	2.6
517.31805	4.3
539.33862	6.9
557.34619	26.1
558.34058	1.8
559.04059	1.6
575.35773	28.9
593.36725	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	789.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.0
65.03908	3.3
67.05499	15.3
69.03410	8.7
69.63879	24.5
70.06573	5.4
74.09456	2.6
79.05486	9.7
80.05016	3.4
81.03401	12.6
81.07050	3.3
85.02885	9.3
91.05475	12.1
92.03716	2.7
93.05798	5.0
93.07057	15.4
94.06565	22.5
95.04932	6.2
95.07341	14.2
95.08588	4.6
96.08124	25.3
97.02876	7.4
97.06464	5.8
99.04441	3.7
103.05453	4.7
105.07012	4.7
107.04936	4.7
107.07319	5.1
108.04452	8.1
108.08110	60.4
108.42742	2.6
109.02858	7.1
109.10112	3.4
110.09665	50.9
119.04948	5.1
120.04436	3.1
120.08102	38.2
121.06537	3.5
122.06026	33.4
122.09657	14.2
123.04405	9.4
123.06790	3.3
124.07579	5.3
127.03915	4.9
134.05995	9.1
134.09653	3.2
135.11716	4.7
136.07568	45.8
138.08141	5.4
138.09137	70.0
146.05984	6.9
146.09665	3.6
147.04439	6.3
148.07590	21.0
150.09091	21.8
151.03838	4.3
152.07050	12.9
153.01807	11.8
160.03906	15.9
160.07622	4.6
161.05907	3.7
162.09088	4.0
163.03833	3.0
164.07050	6.8
166.08635	50.7
167.07037	10.1
172.03867	5.7
174.05472	7.8
174.09125	5.5
176.07001	3.9
180.06476	3.5
190.08615	3.9
191.07097	3.0
193.08740	3.3
198.09146	3.0
199.08582	4.8
200.10641	3.7
204.06566	9.7
206.08087	4.0
209.10672	6.7
210.11456	4.5
211.08649	6.6
211.12302	9.6
212.09293	3.3
213.06645	3.2
213.10226	10.6
214.08545	4.0
216.10152	6.1
218.08121	3.1
222.11490	3.8
223.08614	12.3
223.12297	10.3
224.12975	4.2
225.10216	45.7
225.13733	4.9
226.11011	19.5
227.08170	5.6
227.11742	23.4
235.08630	4.1
235.12329	4.3
236.09367	6.3
237.10225	26.2
237.13885	6.0
238.10986	23.0
239.08199	15.3
239.11760	77.7
240.12520	17.3
241.13303	8.0
246.11269	3.9
248.09251	4.0
249.10181	17.8
250.10948	18.4
251.08229	15.7
251.11774	79.7
252.08957	5.2
252.12460	18.7
253.09752	26.5
253.13326	57.5
254.10500	16.7
254.14049	5.3
255.11345	3.2
262.10971	4.1
263.11761	39.4
264.08844	9.2
264.12415	11.4
265.09720	26.3
265.13315	74.1
266.10684	14.3
266.14032	11.7
267.11246	36.7
267.14777	7.9
269.12778	7.9
271.10812	4.3
275.11642	4.7
277.09698	11.0
277.13226	6.7
278.10403	13.8
279.11264	53.4
280.11993	11.9
281.12854	61.0
283.10791	19.5
283.13983	7.0
284.11453	5.0
285.12247	30.0
286.13147	6.5
289.13159	4.9
291.11462	15.5
292.12054	8.9
293.12799	36.8
294.13547	8.9
295.10815	7.4
295.14362	16.7
296.11462	6.7
297.12357	23.1
298.13089	7.4
299.13849	28.7
303.11047	3.7
306.09979	3.2
307.10623	7.4
309.12299	46.4
310.12863	8.3
311.13907	51.9
312.14484	7.8
313.11987	3.2
313.15411	9.7
319.10748	6.5
321.12274	23.9
323.10352	4.3
323.13962	7.9
325.11887	8.4
327.13379	32.5
328.14386	3.9
330.16135	6.8
333.12198	3.5
335.14377	3.4
337.11774	7.4
338.12155	3.8
339.13412	20.0
341.14990	48.9
351.13391	9.9
353.14856	29.5
355.16736	6.5
356.13602	3.1
357.14670	8.4
358.15295	6.9
359.15982	4.3
360.16827	4.0
367.12503	3.5
369.14508	37.5
369.25388	3.9
370.15512	9.0
371.16101	18.2
372.17148	6.4
381.14377	8.6
383.16284	9.0
384.17200	4.0
386.18646	6.5
389.15097	4.2
395.15906	4.9
399.15469	5.4
400.16199	6.5
401.17084	6.9
407.16495	6.4
411.15613	19.9
412.16412	3.5
413.17026	23.0
414.18109	8.4
416.19504	6.4
425.17062	10.9
429.16464	11.8
430.17609	4.3
432.19193	9.9
435.15518	11.2
437.16895	9.1
441.16379	11.2
442.17343	6.0
443.18164	18.1
444.19244	3.4
453.16431	34.6
454.16968	4.1
455.18155	17.0
460.18292	6.2
462.20358	5.6
465.16589	9.1
467.18286	4.8
471.17554	34.8
472.18365	5.2
473.18951	6.2
474.20511	17.2
481.15854	6.6
483.17569	14.7
485.19034	7.8
492.21204	11.7
495.18011	4.0
497.18930	7.7
502.19519	6.3
503.20337	7.2
506.22952	5.5
507.23181	3.7
513.18964	15.1
514.19318	6.5
515.20160	29.3
516.20288	3.9
522.22552	13.9
534.22302	21.7
556.20526	11.4
562.21710	10.9
568.20361	10.3
574.21661	8.8
586.21820	13.4
588.23254	51.1
589.23718	4.8
592.22754	13.1
594.24414	66.6
595.24744	6.5
600.23450	60.9
603.25745	4.3
604.22516	18.4
606.24335	35.5
618.24487	33.7
619.24506	3.4
621.26349	5.0
624.25464	65.3
631.24536	5.8
632.26257	6.5
636.25507	100.0
637.25385	6.4
650.26642	5.2
664.24408	4.5
667.27185	18.3
668.27594	17.4
669.28320	5.3
687.29327	3.9
693.28412	11.1
703.27515	5.8
707.29956	12.3
711.29602	8.9
721.28015	12.7
725.31763	51.9
729.30499	7.3
735.30554	5.9
739.29474	8.3
743.32660	29.4
753.30750	18.9
757.30713	20.1
761.34125	14.2
771.32446	15.0
789.32843	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	789.334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
57.03451	0.9
61.01796	0.8
64.24736	0.7
65.03947	1.4
67.05502	2.0
69.02299	0.7
69.02612	0.9
69.03433	2.5
69.83382	0.7
70.73786	1.3
70.74141	1.7
79.05501	2.6
80.05027	1.7
80.19527	0.7
81.03416	4.2
81.07027	1.4
85.02919	2.7
91.05477	3.4
92.05001	1.0
92.42167	0.6
93.05787	2.5
93.07033	4.4
94.06575	9.9
95.04990	2.0
95.07352	3.0
96.08133	9.3
97.02908	1.6
97.06433	0.7
103.05475	1.4
104.05004	0.8
105.07044	1.1
106.06562	3.4
107.07344	2.5
108.04494	2.4
108.08119	23.9
109.02907	1.7
110.09675	12.9
110.10380	1.1
111.04464	0.7
116.04969	0.7
118.06544	1.4
120.04485	3.2
120.08105	19.5
121.08884	0.9
122.06024	16.2
122.09662	9.1
123.04459	1.1
124.07601	3.6
132.08086	2.4
134.06035	3.3
134.09665	1.8
136.07579	35.9
138.05522	1.5
138.09142	19.0
143.03421	0.9
144.04521	0.9
145.04987	0.7
146.06003	6.9
146.09682	1.0
147.04370	0.7
148.07574	15.5
150.05518	0.7
150.09143	10.2
152.07056	12.4
153.01839	4.6
160.03990	2.9
160.07550	3.9
162.05522	3.4
162.09212	2.2
164.07062	4.5
166.08632	22.9
167.07201	1.6
168.08058	1.1
172.03923	9.0
172.07617	0.8
174.05568	2.8
174.09103	1.7
176.07123	3.1
177.05479	1.2
178.08698	1.3
180.10129	1.7
181.08940	1.0
183.02905	1.1
183.09230	1.1
184.09958	1.1
186.05542	1.2
186.09149	1.8
188.07133	2.0
190.04988	8.4
192.10196	1.0
194.08206	1.2
196.09888	0.8
197.10822	3.3
198.11522	4.0
199.08699	1.0
199.12227	1.3
200.07045	0.8
204.06557	6.9
206.08093	0.9
208.09789	1.3
209.10785	2.4
210.09500	0.7
210.11406	3.4
211.08745	1.0
211.12273	11.6
212.09480	2.2
212.13145	3.2
213.10251	2.7
213.13829	1.9
218.08173	1.2
220.09630	1.3
221.10762	2.5
222.11372	1.3
223.08682	1.2
223.12256	7.8
224.09427	1.7
224.13066	2.4
225.10260	13.8
225.13806	5.0
226.10983	8.8
226.14696	1.1
227.11787	9.1
228.06767	0.8
229.09822	0.9
229.13354	0.7
232.09631	1.7
233.10776	2.0
234.09108	0.9
234.11482	1.2
235.08655	2.0
235.12344	2.7
236.09543	3.3
237.10236	13.8
237.13937	2.5
238.11005	10.2
239.08163	1.3
239.11786	32.4
240.12529	8.1
241.13301	3.8
246.11241	1.2
248.09450	1.5
249.10207	9.0
250.10976	5.7
251.08189	2.8
251.11795	35.1
252.09024	3.1
252.12495	10.6
253.09818	5.5
253.13333	14.8
254.10638	1.2
254.14157	2.3
255.11267	6.9
255.15161	0.9
256.12134	1.1
257.12900	1.5
259.14441	1.3
260.09073	0.9
261.10385	2.1
262.11041	2.4
263.08817	1.1
263.11768	17.9
263.14465	1.3
264.08826	3.4
264.12570	5.0
265.09833	13.1
265.13455	12.6
266.10510	8.6
266.13937	5.1
267.11273	27.0
267.14459	1.5
268.11935	3.6
269.12793	5.6
270.13400	0.8
271.10870	2.6
271.14481	2.4
273.12415	2.6
275.11801	2.6
276.12683	1.6
277.10028	5.1
277.13046	5.2
278.10568	5.6
278.13873	1.8
279.11279	42.4
280.11993	9.7
281.12830	18.5
282.13556	1.6
283.10864	3.9
283.14499	2.1
284.11588	3.0
285.12354	24.5
286.12900	1.6
287.13962	1.4
291.11304	13.5
292.11893	3.7
293.09323	1.9
293.12778	12.5
294.10025	0.9
294.13455	0.9
295.10892	4.8
295.14264	1.6
296.11606	4.2
297.12338	26.8
298.13049	4.5
299.13849	10.9
300.14963	1.0
303.11313	1.4
305.02914	0.8
305.09286	1.8
305.13007	2.0
307.10901	4.7
307.14063	0.9
308.11716	1.4
309.12378	9.1
310.12988	3.6
311.10318	1.7
311.13870	25.7
312.14606	1.4
313.12256	1.3
313.15643	1.9
314.13083	1.1
315.13858	1.1
316.14523	1.6
319.10754	10.0
319.14093	1.2
320.11462	1.5
321.12357	12.3
322.13214	3.0
323.10324	6.0
323.13992	3.1
324.11005	1.0
325.11807	6.7
326.12671	1.3
327.13440	8.6
327.17081	1.1
328.14365	1.6
329.15292	1.9
330.16153	2.7
331.16785	1.1
332.17682	1.0
333.12326	1.4
335.14185	1.4
337.11862	4.8
337.15488	1.3
338.12869	1.2
339.13434	10.6
340.14481	2.2
341.11469	0.8
341.15063	4.4
342.16016	2.0
343.16806	1.7
344.13998	2.1
344.17767	2.7
345.18375	1.2
346.19223	1.6
351.13531	3.6
353.15186	2.9
355.12924	2.0
355.16708	1.1
356.13901	2.8
356.17993	1.3
357.14410	4.8
358.15543	3.2
358.19092	1.5
359.16077	1.2
363.13455	2.3
364.14450	1.1
365.15164	1.8
367.12979	1.9
367.16913	1.6
368.17871	1.2
369.14526	6.6
370.15475	3.1
371.16235	2.5
372.17175	4.8
374.18677	2.0
376.20538	1.5
379.13019	2.6
381.14343	3.6
382.15668	1.3
383.16089	4.4
384.17050	2.9
385.18088	1.4
386.14645	2.0
386.19150	3.6
387.15741	1.9
388.16562	1.9
388.20782	1.2
393.14496	3.4
395.16296	1.7
398.14664	1.5
398.19257	1.0
399.15567	3.8
400.16214	7.2
400.21088	0.8
401.16830	2.1
402.18332	3.2
404.19800	3.2
405.14566	1.8
407.16147	1.3
409.14011	1.2
411.15509	9.9
411.19836	1.0
412.16351	4.2
413.17148	3.3
414.17987	3.6
416.20200	1.4
418.21423	3.1
423.15665	2.7
424.16583	2.8
425.17194	2.4
427.15076	2.3
428.15332	1.3
428.20273	1.2
429.16519	11.8
430.17514	7.1
431.18436	3.0
432.19263	3.1
434.21109	1.2
435.15521	3.1
439.15222	3.3
441.16690	8.3
442.17624	2.6
443.18265	1.6
444.19449	1.7
446.20847	4.1
448.19104	1.3
449.18985	1.3
450.20276	2.9
451.15115	1.5
453.16614	5.8
454.17563	1.2
455.18610	1.3
458.16953	1.5
459.17786	3.0
460.18677	1.8
463.15091	2.3
465.16656	1.7
467.14468	3.8
469.16098	3.8
471.17636	10.4
472.18622	2.3
474.20026	2.5
481.16095	12.0
483.17981	1.8
492.21109	0.9
499.17468	2.2
501.18713	1.6
504.20807	1.1
516.21454	1.3
518.22662	2.3
522.22192	1.0
530.22803	2.1
534.22449	1.4
546.22650	2.6
548.23865	2.7
552.23389	0.9
556.21002	3.6
558.22363	2.7
560.22955	1.2
562.22302	2.5
565.24170	1.5
566.25018	3.5
567.25397	0.9
568.20587	1.7
570.22925	1.1
574.21429	5.9
576.23340	2.3
577.24713	1.4
578.25360	3.4
580.22644	3.7
586.22211	2.2
588.23535	1.2
590.24951	4.4
591.22510	1.4
592.22760	5.4
593.23615	40.2
594.24432	34.6
595.25317	3.4
598.21771	1.4
604.22845	2.3
606.24469	23.1
607.25226	3.3
608.26379	1.1
616.22656	1.9
618.24420	14.0
619.24945	1.7
620.22327	26.1
620.32526	1.3
621.23181	22.9
622.24017	15.6
623.23956	1.4
634.23907	47.5
635.24628	15.8
636.25494	18.4
637.26147	2.0
652.25281	3.8
653.25671	3.9
655.28290	1.0
666.26550	40.3
667.27289	24.1
668.28204	5.2
675.27435	1.8
693.28680	1.5
703.27045	1.1
711.30353	3.1
715.30048	1.1
721.28790	5.2
729.31061	2.9
739.29828	19.8
740.30341	1.0
757.30756	100.0
758.31158	9.3
789.33459	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	789.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.2
57.03406	0.7
65.03933	1.3
67.05502	2.8
68.48661	0.6
69.02625	0.9
69.03431	1.9
69.07066	0.7
69.40360	1.4
69.40769	5.1
70.06591	0.9
71.04971	0.9
73.02938	0.7
79.05490	3.2
80.04999	1.4
81.03408	4.3
81.07055	1.3
82.06585	1.1
85.02911	2.2
91.05472	4.9
93.05788	2.9
93.07045	3.7
94.06556	10.1
95.04968	2.1
95.07348	2.7
95.08627	0.7
96.08112	7.6
97.02899	2.0
97.06508	0.6
98.20831	1.0
99.38753	0.6
103.05485	1.7
105.07024	0.9
106.06518	3.1
107.04943	0.9
107.07309	3.2
107.08587	1.1
108.04491	2.6
108.08105	27.1
109.02882	2.3
110.09666	12.7
116.97787	0.6
117.03435	0.7
118.06525	1.8
119.04954	1.0
119.07339	0.9
120.04488	2.3
120.08092	17.2
120.08914	1.0
121.06539	0.8
122.06020	16.4
122.09652	8.3
123.04446	1.1
123.06946	0.7
124.07594	5.8
125.02380	0.7
127.03911	2.3
130.06580	1.6
132.08105	2.4
133.06517	0.8
134.06024	4.0
134.09622	1.5
136.07562	36.9
137.07999	0.8
138.05502	1.9
138.09122	20.4
139.03938	1.0
144.04486	0.8
144.08153	0.8
146.05995	7.0
146.09703	0.9
147.04427	2.5
148.07549	17.3
150.09106	10.2
152.07048	13.3
152.10596	0.7
153.01801	7.8
158.09732	0.9
160.03961	2.3
160.07538	4.5
161.05971	0.9
162.05481	3.5
162.09201	1.8
164.07056	4.3
166.08621	23.2
167.07069	1.5
168.10271	1.5
172.03922	7.6
172.07608	0.9
174.05524	3.3
174.09119	1.6
176.07056	2.1
177.05482	1.5
178.08644	1.0
180.10222	0.8
181.05060	0.8
182.09627	0.9
184.09952	1.2
186.09183	0.8
188.07083	1.2
190.04948	7.7
190.06487	0.8
190.08580	0.9
191.07025	0.8
192.06564	1.2
194.08206	1.3
196.17253	0.7
197.10667	3.2
198.09523	0.6
198.11569	2.8
199.08653	0.8
199.12312	1.5
200.07089	0.8
202.08722	1.1
204.06546	5.0
206.08046	0.8
208.09804	1.3
209.08835	0.6
209.10782	2.2
210.09383	0.9
210.11568	2.6
211.08800	1.5
211.12292	12.3
212.09358	1.5
212.13057	2.7
213.10280	3.7
213.13921	2.4
214.08789	0.7
216.06540	0.8
216.10233	1.0
220.09763	0.7
221.10843	2.0
222.11484	1.1
223.08749	3.1
223.12256	7.5
224.09258	0.8
224.13109	2.7
225.10194	15.4
225.13704	4.7
226.10927	6.3
226.14339	0.6
227.11742	12.4
228.12408	0.7
229.09637	0.7
229.13387	1.6
232.09648	1.2
233.10757	2.1
234.09125	1.1
234.11275	0.7
235.08740	2.0
235.12355	2.7
236.09320	3.3
236.13042	0.9
237.10179	16.5
237.13869	2.7
238.10941	10.8
238.14685	1.1
239.08247	1.5
239.11757	33.3
240.12471	6.9
241.09709	1.1
241.13332	3.8
246.11269	0.7
247.12192	0.9
248.09456	1.0
249.10201	8.6
250.10962	7.3
251.08180	3.7
251.11765	34.6
252.08932	2.6
252.12524	11.2
253.09750	7.1
253.13412	15.6
254.10611	2.1
254.14134	2.1
255.11263	7.9
256.12045	1.3
257.12808	1.8
261.10327	2.3
262.11075	2.8
263.08908	0.9
263.11761	19.8
263.14395	1.2
264.09045	4.3
264.12451	5.2
265.09805	13.5
265.13416	12.6
266.10556	11.3
266.14175	3.9
267.08395	1.5
267.11255	27.8
267.14758	2.0
268.12054	2.9
269.10086	0.7
269.12775	4.1
270.09985	0.6
271.10815	2.7
271.14484	2.1
273.12506	1.6
275.11911	2.1
276.12610	1.7
277.09824	4.7
277.13361	5.9
278.10419	8.1
279.11234	42.9
280.11984	11.2
281.09698	1.4
281.12811	18.7
281.15808	1.1
282.13419	1.6
283.10867	3.8
283.14532	1.9
284.11380	3.3
285.12302	26.8
286.13092	1.5
287.14087	2.1
290.10529	1.2
291.11234	11.9
292.11948	3.6
293.09320	2.1
293.12769	14.2
294.13403	1.4
295.10873	5.3
295.14383	2.1
296.11533	3.5
297.12311	25.2
298.12924	4.3
299.13882	10.8
300.14746	0.7
303.11383	1.6
305.09482	1.1
305.13077	2.4
306.09903	0.7
307.10812	5.7
307.14307	1.1
309.12253	8.7
310.12930	3.3
311.10361	2.5
311.13815	26.0
312.14560	1.4
313.15530	2.2
314.16708	0.7
315.13870	1.1
316.14383	1.8
317.12744	1.1
318.09985	0.8
318.15924	0.9
319.10718	7.9
320.11530	1.0
321.12296	12.5
322.13126	3.4
323.10275	4.1
323.14056	3.9
324.11188	1.1
325.11832	6.9
326.12619	1.9
327.13324	8.2
328.14474	2.6
329.15280	1.9
330.16074	2.4
331.16919	1.0
332.17725	1.5
333.12289	0.8
335.13965	1.1
337.11789	5.2
338.12759	1.7
339.13336	10.4
339.17343	0.7
340.14194	2.5
340.18051	0.8
341.15024	2.2
342.12323	1.0
342.16049	2.2
343.12997	1.4
343.16772	1.5
344.14014	1.3
344.17401	3.0
345.18588	1.4
346.15500	1.1
346.19351	0.9
351.13098	3.4
353.14957	3.6
354.12164	0.8
354.16031	1.6
355.13089	2.7
355.17059	1.1
356.13968	2.4
356.17880	1.4
357.14450	4.0
358.15503	3.5
358.19235	1.6
359.16119	1.2
360.16943	1.6
362.18869	1.5
363.13550	2.2
364.13867	1.2
365.10947	1.1
365.14944	2.2
367.12845	1.5
369.14420	5.2
370.15610	3.0
370.19736	1.3
371.16245	3.5
372.16956	4.0
373.17825	1.3
374.18628	1.7
376.20471	0.8
379.13022	2.5
381.14276	4.2
382.15372	1.5
383.16095	3.1
384.17206	3.1
385.17871	1.4
386.14871	1.7
386.19000	3.3
388.16296	3.0
388.20883	1.0
390.18228	1.7
392.19946	0.8
393.14401	4.2
394.15201	1.1
395.16388	3.3
397.13632	1.4
398.15067	1.8
399.15234	3.2
400.16055	7.0
401.17062	1.7
402.18097	2.8
403.19238	0.8
404.20032	3.4
405.14401	1.1
407.16162	1.8
409.13806	1.2
410.14557	1.3
411.15439	10.0
412.16284	4.8
413.16983	2.2
414.17987	3.7
415.14801	1.1
416.20132	1.2
417.15280	0.8
418.16986	1.2
418.21643	1.8
419.17685	0.7
422.20831	1.2
423.15555	3.5
424.16565	1.8
425.17038	1.1
426.18405	0.8
427.14566	1.9
427.18820	2.6
428.19724	2.2
429.16470	12.9
430.17407	5.8
431.18143	2.3
432.19174	4.0
435.15588	2.1
437.17468	0.9
439.15073	3.0
440.15872	1.0
441.16437	8.4
442.17505	2.5
443.18292	2.5
444.19110	1.4
446.20789	5.0
448.18747	2.0
450.20139	4.6
451.14963	1.5
453.16339	5.3
454.17426	1.2
455.18652	1.7
456.19281	0.9
457.15839	1.1
458.16797	1.4
459.17776	2.6
460.18787	2.4
463.15042	3.0
464.21927	1.3
465.16638	3.0
467.14252	3.5
469.16342	2.4
471.17615	11.2
472.18350	3.3
473.19708	0.9
474.20160	2.0
481.16019	10.6
482.16794	0.8
483.17752	1.9
488.22089	1.9
490.19910	1.7
491.21338	0.7
492.21240	1.7
499.17093	1.2
501.18753	0.9
506.23062	1.2
528.21887	0.8
530.22540	1.9
532.20819	2.0
534.22217	2.0
546.21906	1.6
548.24060	1.8
556.20917	2.6
558.22339	2.0
560.23334	0.9
562.22150	2.9
564.23279	1.0
565.23938	1.9
566.25073	3.7
568.20599	1.2
570.22229	1.2
572.24103	1.2
574.21484	5.8
575.22229	1.9
576.23431	2.6
577.24371	1.6
578.24762	2.9
580.22736	4.1
586.21924	1.5
588.23584	2.5
590.25092	4.3
591.23035	2.1
592.22736	6.7
593.23584	37.0
594.24353	29.6
595.25104	2.2
600.23126	1.5
604.22723	3.8
606.24365	20.2
607.25098	2.6
608.26099	1.9
616.23346	1.4
617.23370	1.2
618.24268	14.1
620.22229	25.1
621.22992	18.7
622.23761	14.1
634.23889	43.8
635.24585	18.8
636.25439	30.5
637.25690	1.8
649.26678	1.0
652.24866	4.7
653.25690	8.9
666.26471	38.7
667.27197	31.2
668.27728	9.7
675.28448	1.3
693.28906	1.5
703.27509	1.5
711.30298	2.3
713.32294	0.9
721.28381	4.6
729.31226	3.7
739.29663	17.3
740.30890	0.8
757.30664	100.0
758.30981	6.4
789.33105	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	788.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.3
55.05511	9.1
55.47659	0.8
57.03435	4.9
59.04971	0.8
61.02905	1.1
65.03937	0.8
67.05498	18.3
67.30269	0.7
69.03416	1.4
69.07066	12.3
70.50143	1.7
70.50542	1.6
71.04982	2.2
79.05488	15.1
81.03413	32.9
81.06575	1.6
81.07053	22.8
83.04976	4.6
83.08615	8.2
85.02908	1.1
86.09667	1.0
91.05476	24.8
93.07037	17.1
95.01329	3.5
95.04961	11.8
95.08604	12.6
97.02893	1.6
97.06528	8.4
97.10158	1.7
103.05444	1.0
105.07025	30.0
107.04937	8.2
107.08593	7.5
109.06512	2.8
109.10150	5.0
111.08070	3.2
115.05413	0.9
117.07016	6.3
119.08581	17.4
121.06506	2.2
121.10112	5.6
123.04437	1.5
123.08047	2.6
123.11728	1.1
125.00060	1.0
125.09558	1.4
128.06242	0.9
129.06993	4.2
131.08551	10.5
133.06519	2.1
133.10121	19.7
135.08069	1.7
135.11632	3.6
137.09647	1.8
142.07805	1.0
143.08574	1.7
145.06517	1.2
145.10126	7.1
147.08046	1.6
147.11691	9.0
149.09613	7.5
149.13225	0.9
151.11176	1.7
157.10141	4.8
159.11661	4.2
161.13266	2.6
163.11171	2.2
165.12747	1.3
171.11646	1.7
173.13220	1.8
174.57971	0.7
175.11154	4.6
177.12730	1.1
179.14256	3.7
183.11801	0.9
184.07361	3.3
187.11205	1.1
193.12227	7.1
197.13264	0.9
211.13254	1.5
247.20572	1.1
249.14676	0.9
253.14453	2.4
257.19012	1.7
267.15906	34.2
269.17694	0.7
275.20047	20.5
276.20535	0.9
285.16907	1.3
292.19055	1.1
293.21240	1.2
331.22797	0.8
349.23712	16.3
356.56870	0.8
479.30072	1.5
541.35217	100.0
542.35437	5.2
559.36224	3.5
573.34808	0.9
583.35925	1.6
591.35669	1.1
617.68469	0.8
626.44733	1.3
644.60284	0.8
766.45721	0.7
788.49664	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01619	1.8
55.01868	24.0
55.05505	49.0
57.03431	24.5
57.07060	3.9
59.04988	6.2
60.08141	1.3
61.02917	7.7
65.03925	5.6
67.05498	81.3
69.03420	16.4
69.07063	68.0
71.01337	2.3
71.04980	7.1
71.60392	2.6
73.02907	4.9
79.05486	70.2
79.69778	1.4
80.05822	1.7
81.03410	31.2
81.07050	69.4
82.04194	2.5
83.01334	7.7
83.04971	25.9
83.08618	30.3
85.02892	16.0
85.06536	4.1
86.09688	1.6
90.36065	1.1
91.03940	3.6
91.05470	55.7
93.07036	66.8
94.04164	1.4
95.04964	33.0
95.08595	41.6
97.02885	18.0
97.06522	18.7
97.10155	23.2
98.07298	4.5
99.04453	3.1
99.08088	2.6
103.05452	1.8
105.04521	1.3
105.07020	44.2
107.04945	20.1
107.08581	41.6
107.09293	2.6
109.02852	2.6
109.06527	14.5
109.10147	29.8
109.45181	1.3
111.04423	4.4
111.08082	8.4
115.05437	3.4
116.04710	8.5
117.07001	21.9
119.04894	2.2
119.08572	38.6
121.06510	8.1
121.10131	18.8
123.04427	2.8
123.08059	16.6
123.11684	3.0
125.09617	21.4
126.10439	1.4
127.03912	3.2
128.06192	1.8
129.05469	26.9
129.06952	8.9
130.07776	2.5
131.08553	25.0
133.06450	6.7
133.10114	22.4
134.07315	1.3
135.04425	1.2
135.08026	9.2
135.11684	18.4
137.09584	15.5
139.11150	1.3
141.06946	2.2
142.07828	1.3
143.06995	5.9
143.08533	7.3
143.10683	1.9
145.04980	2.1
145.06454	3.5
145.10100	26.7
147.08047	10.7
147.11653	12.7
149.02312	4.2
149.09601	16.5
149.13231	3.4
151.07587	2.1
151.11105	3.3
153.09149	2.2
153.12721	4.0
155.08524	2.5
157.08601	12.5
157.10107	8.0
159.08041	2.1
159.10501	1.7
159.11658	10.5
161.09599	5.5
161.13260	4.1
162.10387	1.9
163.11159	29.0
165.09065	3.0
165.12761	2.8
169.10083	1.9
169.12166	1.6
171.10165	4.2
171.11684	3.4
173.04407	2.4
173.09605	5.3
173.11711	6.3
173.13280	4.6
175.11125	6.8
177.12769	4.3
179.10672	2.0
179.14272	3.8
181.12207	4.0
183.11678	2.1
184.07373	5.8
185.13196	3.1
187.11203	1.8
187.14833	1.6
189.11208	13.8
189.12758	1.9
191.10693	4.2
193.05016	4.8
193.12195	5.3
194.05261	2.0
197.13211	1.6
199.13213	7.2
203.14348	1.5
205.12259	3.4
207.13823	1.2
209.11681	10.8
211.13287	5.1
223.13240	18.6
227.12755	23.4
227.17885	1.7
228.13210	1.5
229.14375	5.3
229.19508	1.8
230.44954	1.7
239.18050	2.0
243.15845	2.1
247.20517	1.8
249.14870	4.6
253.14395	2.2
257.18918	6.1
263.19989	1.9
267.15823	9.8
269.17444	2.0
273.18481	17.1
275.20013	21.4
283.15378	58.1
284.15860	2.6
285.16748	1.4
291.19510	100.0
292.19672	1.7
293.20840	1.8
301.16425	53.7
347.22137	3.0
349.23682	36.6
358.88754	1.4
365.23218	45.0
366.23557	2.6
369.47318	1.3
379.21100	7.4
386.09244	1.7
432.78860	1.5
437.25339	23.3
445.26611	1.3
451.26904	4.2
461.29086	10.4
463.27240	1.7
471.26376	1.4
477.28616	2.7
505.28018	2.1
519.33447	2.0
557.34723	49.7
558.35199	2.8
573.34637	9.2
573.42371	1.3
574.35004	7.7
575.35626	9.3
591.35193	62.0
619.80017	1.4
759.10791	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.7
55.05526	0.4
55.70543	0.4
65.03950	0.6
67.05508	1.2
69.03424	1.4
71.59252	0.4
73.02924	0.6
79.05503	1.4
80.05020	0.9
81.03409	2.0
81.07065	0.8
83.08614	0.6
85.02924	0.6
91.05477	1.9
92.05025	0.4
93.05782	1.2
93.07043	1.3
94.06557	4.4
95.04988	0.9
95.07351	0.7
95.08625	0.6
96.08141	1.4
97.02882	0.6
99.04435	0.5
103.05460	0.7
105.07034	0.9
106.06555	1.4
107.07345	0.8
107.08580	0.5
108.04511	1.5
108.08110	7.6
109.02906	1.2
109.10164	0.6
110.09683	2.4
116.04996	1.2
118.06563	0.8
119.04947	0.5
119.08591	0.5
120.04443	3.0
120.08094	5.4
120.08782	0.4
122.06011	4.7
122.09662	2.1
123.04465	0.8
124.07587	2.4
125.09615	0.4
127.03930	0.7
129.07007	0.7
132.04483	0.5
132.08159	0.5
134.06047	1.2
136.07570	7.0
138.05472	0.6
138.09123	4.9
139.03891	0.6
140.04356	0.5
144.04472	1.3
146.06000	6.1
147.04451	1.5
147.11649	0.5
148.07550	3.2
150.09149	2.2
151.03909	0.5
153.01814	0.8
157.08731	0.4
158.06093	0.6
160.03946	1.6
162.05556	1.6
164.07100	1.2
166.08606	3.8
166.09720	0.4
167.07152	1.0
172.03918	5.1
172.07536	0.4
172.55798	0.5
174.05486	2.3
176.07144	1.4
177.05527	0.9
182.08392	0.5
182.09769	0.7
183.09218	0.5
184.09946	0.8
186.05556	0.8
190.04987	5.7
197.10823	1.1
199.12357	1.4
204.06567	1.2
208.09880	0.5
209.10776	0.8
210.09274	0.6
211.08760	1.7
211.12321	1.1
212.09528	1.3
221.10536	0.4
223.08681	1.0
223.12398	0.7
224.09427	0.8
225.10242	4.6
225.95532	0.5
226.11008	1.2
227.11768	9.2
236.09392	0.8
237.10187	2.4
238.11072	1.0
239.11667	2.4
240.12480	0.5
241.13409	0.8
245.12859	0.6
249.10289	0.8
251.08165	0.5
251.11827	2.5
252.12521	0.6
253.09708	3.0
253.13446	0.6
255.11192	2.2
257.13068	0.7
263.08191	1.2
264.09067	1.0
265.09839	2.3
265.13226	0.8
267.11438	2.4
269.12808	3.1
271.10760	3.2
273.12460	1.5
275.11914	0.4
277.03491	0.5
277.09811	1.4
278.10611	0.8
279.11255	4.2
281.09552	0.7
281.12909	1.6
283.10788	0.9
283.76859	0.4
284.11401	0.6
285.12271	2.2
291.11450	0.6
293.09140	0.5
293.13098	0.5
295.10852	1.7
297.12354	3.2
299.14142	0.9
301.12753	0.6
305.09137	1.0
307.10950	1.1
309.12332	0.6
313.12836	0.5
314.13141	1.2
315.13708	1.3
316.14243	0.8
317.15137	0.8
321.12256	1.0
323.10480	0.6
325.11722	3.4
326.13010	0.7
327.13657	1.3
328.10776	1.0
328.14597	1.3
329.11697	2.0
329.15210	0.9
330.12445	1.3
330.16055	1.3
331.16907	0.9
332.17471	0.5
339.13519	0.8
340.14380	0.7
341.11798	0.8
342.12396	4.1
342.16135	1.4
343.13031	2.9
344.13770	1.3
344.17569	0.8
350.80396	0.5
352.14560	0.7
354.12299	1.0
354.16183	1.1
355.13223	1.5
355.17166	0.7
356.14001	3.4
356.17731	0.8
357.14594	1.6
358.15427	4.3
365.11356	0.6
366.16199	0.8
368.13721	0.7
368.17703	1.0
369.14890	0.7
370.15573	2.8
371.16702	0.6
372.17209	1.3
380.14023	1.3
382.11877	1.2
383.12430	1.0
384.13519	1.3
385.14105	1.2
386.14651	2.2
387.15698	0.9
388.16647	0.7
394.15576	0.9
395.16312	0.6
396.12958	0.5
397.14407	0.9
398.14972	8.3
399.15829	4.3
400.16678	2.5
402.14377	0.9
404.16107	1.0
412.16620	1.6
413.17328	0.9
414.18246	1.7
416.16086	2.3
417.16873	1.7
418.17679	0.6
422.15424	0.6
427.14938	0.6
428.15906	1.0
430.17285	0.8
432.19009	0.6
440.16025	2.6
442.17648	0.6
458.16840	2.0
488.18423	0.7
500.18018	1.3
504.21167	0.5
505.22061	0.9
514.20209	0.6
523.23462	0.5
531.20221	0.5
534.22571	0.7
542.19214	1.3
548.20044	1.6
551.23163	0.8
554.19269	1.0
558.22620	0.7
560.20251	5.2
566.19830	0.9
572.20453	0.9
584.19983	1.2
590.21539	1.3
593.24396	0.7
602.21014	4.3
620.22815	0.6
653.25995	0.7
673.26978	0.8
691.27594	0.6
695.27289	0.5
701.25616	0.6
709.28296	1.3
711.29883	3.7
713.28088	4.2
714.27301	0.5
719.27118	1.4
727.29572	3.6
737.28265	4.1
755.29138	100.0
756.29376	3.8
787.31744	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	785.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.6
55.05269	0.9
55.05509	10.6
57.03432	5.1
59.04991	0.6
61.02926	23.8
65.03935	1.2
67.05502	24.6
69.03427	6.0
69.07065	8.5
69.64208	4.1
70.06566	0.6
71.05004	3.1
73.02541	0.8
73.02913	6.2
77.03931	0.7
79.05490	18.9
81.03423	6.3
81.07057	23.3
83.04974	2.3
83.08615	7.4
85.02903	27.5
85.06535	1.8
91.03953	14.7
91.05476	25.0
93.07042	19.2
95.04951	4.7
95.08607	14.0
97.02890	15.7
97.06528	2.5
97.10171	3.1
99.04465	2.2
99.08102	0.9
103.05463	1.5
105.04524	0.8
105.07028	20.8
107.04964	3.9
107.08594	9.6
109.02873	2.6
109.06508	4.6
109.10149	5.1
111.04433	0.6
111.08100	2.4
115.03915	1.8
115.05450	1.9
116.06260	0.8
117.07018	17.5
119.04935	2.4
119.08581	12.5
121.06499	3.0
121.10164	5.6
123.04409	3.0
123.08067	2.3
123.11703	0.7
125.09624	2.0
127.03922	5.3
128.06221	3.6
129.05515	1.0
129.07001	20.8
131.04947	2.0
131.07582	1.4
131.08563	23.1
133.06514	3.1
133.10118	8.0
135.04404	0.9
135.08038	3.3
135.11685	2.6
137.05986	1.1
137.09627	1.8
139.03879	1.9
139.07559	0.6
139.11314	0.9
141.06976	9.6
142.07799	1.9
143.08551	15.6
145.04985	4.1
145.06479	5.2
145.10117	11.8
147.04379	3.6
147.08014	4.6
147.11714	2.8
149.09586	3.9
149.13257	1.4
151.03899	0.7
151.11192	1.8
153.01822	2.7
153.06953	2.0
154.07759	0.9
155.08551	14.6
157.06482	2.7
157.10126	9.6
159.08031	4.3
159.11687	7.5
161.05963	1.1
161.09592	3.2
161.13239	1.7
163.06033	2.2
163.11180	1.6
165.05647	0.9
165.07039	1.9
166.07816	1.8
167.08578	6.8
169.10112	8.8
171.08017	2.3
171.11682	7.5
173.09601	2.4
173.13283	2.4
175.09857	0.7
175.11165	2.9
175.14772	1.0
177.05481	0.8
177.12759	2.7
179.08537	3.6
179.10689	0.8
180.09326	0.9
181.10114	7.3
182.10757	0.9
183.08072	1.6
183.11655	6.7
185.09619	1.8
185.13255	4.1
187.11157	2.3
187.14848	1.4
189.12732	1.5
193.10158	3.8
193.12244	0.6
195.11703	7.0
197.09639	2.0
197.13286	4.9
199.11166	1.8
199.14861	2.3
201.12749	1.7
203.03374	1.4
203.14355	1.5
205.10173	1.1
205.12202	0.9
206.10965	1.0
206.39186	0.7
207.11761	4.0
209.13290	4.3
211.11188	2.0
211.14853	2.8
213.12712	2.3
213.14519	0.7
213.16383	1.4
213.95818	0.7
215.14375	2.6
219.11725	1.7
219.13797	1.1
221.00777	0.9
221.13239	6.0
223.14819	4.8
225.12790	1.5
225.16383	1.9
227.14450	1.1
229.15900	1.8
231.17480	1.0
233.13272	1.5
233.15440	0.8
235.14836	3.4
237.12857	1.2
237.16330	1.0
239.14319	3.3
241.16039	1.3
243.13786	1.1
243.17540	1.1
247.02557	0.7
249.16426	1.4
253.15935	2.6
257.15421	2.4
259.02469	0.7
259.17093	1.5
271.16940	2.5
277.03503	4.0
285.18747	1.0
303.01398	2.9
303.19659	0.8
305.22733	0.9
315.21078	0.7
323.23755	2.7
333.22046	8.1
341.24750	4.5
351.23169	26.3
352.23679	0.9
369.24228	19.0
387.25253	9.7
389.24780	1.0
407.25739	1.6
415.28519	1.2
425.26880	8.8
433.29565	1.3
443.27921	100.0
444.28317	3.9
445.29532	0.9
461.28973	71.1
462.29407	2.3
473.29025	0.9
485.28967	2.0
503.29901	1.9
551.30255	1.4
569.30695	1.5
587.31714	1.5
605.33154	3.3
623.34015	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	785.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.0
57.03395	0.7
60.22217	0.6
62.89455	0.4
63.02364	0.6
68.99745	0.5
69.03423	14.1
70.75869	1.2
71.01318	0.5
71.04969	1.1
72.41149	0.4
73.02875	0.6
78.84563	0.5
81.03411	39.4
83.01298	1.1
85.02901	4.9
91.05424	2.0
95.01296	0.5
95.04957	0.4
96.46230	0.4
97.02888	3.2
98.20944	0.5
99.04449	3.7
101.02350	1.0
103.05449	2.8
109.02874	20.2
117.03336	0.6
119.04939	3.0
127.03902	9.2
129.03299	0.6
131.04919	4.7
135.04362	1.0
137.02283	1.8
139.03835	0.5
145.02788	0.8
145.04898	1.9
147.04398	11.6
151.03871	0.6
153.01764	1.6
157.02786	1.9
159.03250	0.6
159.04431	5.0
163.03906	3.7
165.01833	3.8
165.05444	1.6
173.02373	2.3
175.03882	14.0
177.01843	1.1
177.05469	2.6
179.03290	1.4
185.02261	2.1
187.03882	6.1
191.03381	7.8
193.01329	9.8
193.05029	2.9
201.01779	5.6
203.03380	30.3
204.03680	0.6
205.01305	1.6
205.04948	3.2
207.02875	1.4
209.00877	0.9
211.02309	0.6
213.01831	4.1
215.03351	3.0
217.01219	0.9
219.02876	12.3
221.00833	20.4
221.04364	14.1
223.02364	0.6
229.01321	4.8
230.01945	1.3
231.02864	32.0
232.03268	0.6
233.00751	2.0
239.01717	0.6
239.43510	0.5
241.01257	3.6
246.99768	0.6
247.02357	19.3
249.03911	10.1
257.00809	9.2
259.02362	33.2
260.02728	1.2
265.03409	1.8
275.01843	20.9
276.02588	6.2
277.03415	100.0
278.03757	2.4
285.00299	6.9
289.03336	0.9
293.02927	5.4
303.01324	91.3
304.01581	2.4
321.02380	19.8
339.03433	32.3
396.07660	0.5
411.03302	0.5
419.06302	0.7
429.04587	0.9
447.05447	4.0
465.06497	3.8
483.07718	2.1
511.98944	0.5
785.08276	19.2
786.08014	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.6
57.25022	0.4
57.71861	0.4
67.05488	1.3
68.05009	0.4
69.03432	0.7
69.07076	0.9
70.31528	1.6
71.08626	0.9
77.11876	0.5
79.05466	0.7
81.03418	1.1
81.07060	1.1
86.09702	100.0
87.10041	0.8
91.05480	1.4
93.07041	1.1
95.08587	0.5
95.11115	0.3
97.02879	0.4
97.06540	0.4
98.09685	1.3
103.05463	0.9
105.07033	1.7
107.04927	0.4
109.02867	0.5
112.11242	6.4
117.07047	0.4
120.08102	41.2
121.08456	0.5
129.06984	0.4
132.08110	0.5
133.10130	0.7
140.10818	0.4
146.09686	2.0
154.15895	18.4
157.13364	11.0
157.14644	0.6
167.11818	0.4
185.12856	14.5
188.14362	6.8
191.11906	0.6
199.18054	17.6
209.16496	0.5
219.03011	0.5
219.11296	1.1
220.35252	0.3
225.19615	7.1
227.15340	0.4
227.17520	16.1
233.16473	17.0
235.18105	0.5
253.14705	0.6
253.19093	7.6
255.16963	0.5
259.02380	0.6
259.17984	2.2
261.15958	16.6
267.24301	7.3
275.02014	0.5
276.02457	0.4
277.03522	1.5
278.03723	0.6
287.17621	2.7
295.23834	5.1
298.21243	8.2
301.22751	6.9
303.01300	1.9
304.01862	0.4
322.25122	0.8
327.66168	0.4
329.22208	5.5
332.19717	6.6
332.23450	0.5
338.02484	0.6
340.25986	2.7
356.23495	1.0
366.27573	2.8
374.24387	4.2
383.30362	1.4
400.25928	4.1
402.23557	0.4
408.32321	0.8
411.29724	4.2
417.28549	1.7
425.35184	0.5
428.31940	0.5
442.30692	1.8
445.28082	4.9
451.36401	0.4
453.34235	0.7
459.33459	1.5
473.27982	0.4
479.35919	2.0
485.35846	0.4
487.32690	2.3
496.39078	1.2
513.34247	3.6
524.38141	5.1
530.37170	2.3
555.39166	1.6
558.36414	9.0
592.44684	1.3
600.41071	1.7
626.42847	6.8
637.46594	2.4
643.45355	4.9
653.44348	0.6
668.47552	1.1
671.44867	19.5
672.45648	0.7
699.44604	0.7
713.49603	0.8
739.51123	4.5
756.53619	9.0
766.52173	2.4
784.53448	14.1
785.54315	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
56.88500	0.5
57.03399	1.1
68.99791	1.0
69.03424	22.4
69.53068	5.0
71.01324	1.3
71.04979	1.2
73.02936	0.5
81.03413	34.9
83.01325	1.6
85.02903	3.9
91.05476	0.9
94.73919	0.5
97.02885	4.3
98.21477	1.2
99.04424	2.2
103.05460	0.7
105.03400	0.7
107.04939	1.4
109.02872	17.7
111.04417	1.0
116.98621	0.6
117.03357	1.1
119.04914	1.4
120.91470	0.6
123.04425	1.3
127.03905	9.7
131.04942	0.6
133.02832	1.3
135.04369	1.4
137.02281	0.7
139.03854	1.0
145.02858	1.3
145.04929	1.2
147.04390	3.6
151.03903	1.5
153.01770	2.9
157.02835	0.8
161.02377	2.3
163.03909	6.8
165.01796	1.7
173.02394	2.4
175.03821	2.7
177.02022	0.6
179.03331	2.0
185.02556	0.9
187.03903	4.2
189.01843	3.8
190.20935	0.6
191.03401	8.5
192.04097	0.7
193.01364	1.5
201.01888	5.9
202.02519	1.2
203.03363	5.6
204.64694	0.7
207.02893	6.3
213.01793	3.3
215.03416	3.6
216.99329	1.0
217.01306	10.3
218.01959	0.9
219.02911	10.7
221.00781	2.0
221.04483	1.0
229.01303	5.6
230.02002	1.1
231.02879	17.3
231.05183	0.8
235.02332	14.3
236.02771	0.6
237.03062	0.7
241.01395	3.0
244.96683	0.5
245.00821	8.4
245.04889	1.9
247.02362	12.5
249.04036	0.7
257.00735	9.1
258.01105	0.7
259.02362	30.9
263.01935	5.4
273.00259	8.2
275.01843	17.3
276.02679	6.0
277.03415	100.0
278.03726	2.2
279.03943	1.0
285.00302	6.6
287.01929	1.0
289.03366	0.9
291.01404	2.9
291.72412	0.7
300.99829	2.6
301.90640	0.6
301.94489	0.7
303.01324	89.9
304.01599	1.5
305.02847	1.7
319.00708	4.9
321.02222	3.8
337.01871	28.7
383.04117	0.8
407.02466	1.1
429.04459	1.9
441.08801	1.7
445.03979	1.3
447.05408	1.7
457.49652	0.7
463.05051	8.8
481.06088	2.1
551.72546	0.6
639.07782	0.9
783.06903	15.5
784.06531	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.6
55.05504	1.4
57.03426	1.6
57.07073	0.2
57.57097	0.2
59.04995	0.8
60.08146	0.5
61.02921	5.5
62.25562	0.2
64.32446	0.2
65.03938	0.3
67.05167	0.3
67.05502	5.0
69.03423	3.5
69.07057	1.0
70.78137	0.6
71.01351	0.5
71.04993	1.0
73.02911	3.9
75.04446	0.2
79.05492	3.2
81.03403	2.9
81.07051	4.8
81.27988	0.2
83.04953	0.4
83.08618	0.8
85.02898	5.7
86.09702	1.7
87.04452	0.4
87.10056	0.2
91.03951	3.2
91.05470	3.0
93.07037	3.6
93.96372	0.2
94.53501	0.2
95.04961	0.9
95.08601	3.9
97.02881	4.9
97.06535	0.7
97.10183	0.4
98.98460	0.2
99.04441	1.1
99.08028	0.2
101.02371	1.9
103.03938	0.4
105.07024	1.8
107.04944	0.3
107.08584	2.0
109.02852	0.9
109.06511	0.4
109.10155	1.5
111.08068	0.4
115.03930	0.3
117.07034	0.4
119.08573	1.2
121.10144	2.4
124.99999	1.4
127.03906	1.7
129.05518	0.3
129.07010	0.6
131.08559	1.4
133.10107	1.1
135.11690	0.8
145.04984	0.3
145.10152	0.6
147.11650	1.1
149.09544	0.8
149.13242	0.4
157.10181	0.6
159.11697	0.3
161.13307	0.2
161.58403	0.2
165.16248	0.2
175.11241	0.6
184.07326	6.6
185.04257	0.6
185.07698	0.6
193.12267	0.8
195.31618	0.2
203.05339	0.5
211.13234	0.2
225.14905	0.4
243.08380	2.9
253.14304	0.4
267.16046	0.4
283.15155	5.6
298.75299	0.2
335.25851	1.1
339.17892	0.6
441.54062	0.2
451.19193	0.3
469.20578	0.5
471.47125	0.2
483.22205	0.3
501.23038	8.7
502.23456	0.2
513.73999	0.2
519.29266	8.6
520.30170	0.2
563.12372	0.2
617.40179	0.4
779.45416	100.0
780.45813	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	783.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.0
68.99759	0.6
69.03425	21.8
69.03783	0.8
69.67030	3.2
70.86565	0.4
71.01302	1.1
71.04964	0.6
79.05450	0.7
81.03411	33.4
83.01292	1.5
85.02851	1.8
87.41538	0.4
89.03882	0.5
91.05428	1.5
95.01279	0.5
97.02388	0.3
97.02873	3.5
98.21558	0.4
99.04395	1.7
103.05432	1.0
105.03338	1.1
105.06991	0.4
107.04907	1.4
109.02870	17.3
117.03322	0.8
119.04913	0.9
127.03910	9.0
131.04861	1.2
133.02835	2.1
135.04358	1.1
137.02322	0.6
141.39519	0.4
145.02820	1.7
147.04411	2.7
147.05507	0.5
151.03839	0.8
153.01810	0.8
155.79608	0.5
157.02820	2.3
159.04317	0.4
161.02341	3.3
162.03140	0.4
163.03891	8.3
165.01822	0.9
173.02325	3.6
175.03912	3.2
177.01694	0.7
179.03362	2.0
185.02322	1.9
187.03917	4.1
189.00214	0.6
189.01801	6.5
190.02553	0.7
191.03394	9.3
192.03940	0.5
193.01247	1.4
195.02914	0.5
201.01801	6.8
202.02576	0.5
203.03372	5.3
205.01360	0.5
207.02864	6.7
213.01805	4.2
215.03337	3.4
217.01283	9.9
218.02058	0.8
219.02863	9.6
221.00861	2.0
221.04414	0.6
229.01318	5.4
230.01767	0.7
231.02867	20.2
232.03114	0.5
235.02357	12.4
239.01871	1.2
241.01260	3.5
245.00809	8.2
247.02365	12.5
249.03903	0.6
257.00778	9.1
259.02356	28.8
263.01822	4.7
269.99609	0.4
273.00266	7.6
274.01047	0.8
274.98801	0.7
275.01828	16.8
276.02618	6.8
277.03409	100.0
278.03793	2.3
285.00317	6.0
287.01782	0.7
289.03452	0.7
291.01187	2.5
300.99762	3.5
302.00504	0.7
303.01321	96.5
304.01678	1.7
305.02899	1.8
315.01352	0.5
319.00800	6.5
321.02301	2.5
328.99121	0.7
331.00845	1.1
337.01859	35.6
338.02191	1.2
341.02716	0.5
383.03912	0.6
385.05704	0.5
407.02457	1.3
411.03516	0.8
429.04282	2.0
445.03955	1.5
447.05603	1.6
463.05127	10.7
464.05447	0.7
481.06177	1.6
765.05310	0.6
783.06653	18.8
784.06604	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
55.05489	1.0
57.03429	2.4
58.43989	0.5
60.08151	0.7
61.02921	5.2
67.05502	6.1
69.03428	3.1
69.07057	2.7
71.01349	0.7
71.04987	1.1
73.02918	4.3
79.05492	4.1
81.03400	4.0
81.07053	5.9
83.04976	1.3
83.08608	1.6
85.02895	7.0
86.09705	2.7
91.03963	3.1
91.05460	4.9
91.41078	0.5
93.07026	3.6
95.04956	2.5
95.08598	2.1
97.02882	4.1
97.06537	0.8
99.04455	1.3
101.02361	1.8
105.07040	3.6
107.04948	0.7
107.08578	2.0
109.02916	0.8
109.06487	0.9
109.10143	1.0
111.08076	0.7
117.07037	1.5
119.04919	0.6
119.08559	2.7
121.06544	0.7
121.10172	1.8
123.04438	0.9
123.08075	0.7
124.99961	1.0
127.03924	1.7
129.06938	0.6
131.08560	1.7
133.10141	2.1
135.11681	1.2
139.03928	0.6
145.10109	1.3
147.04419	1.0
147.11742	1.6
149.09613	0.9
157.10182	1.0
159.11688	1.2
173.12990	0.6
175.11197	0.6
177.05446	0.7
184.07329	7.2
185.04289	0.6
185.07614	0.8
193.12244	0.8
203.05280	0.6
211.13158	0.7
221.11630	0.6
222.05191	0.6
229.51024	0.7
243.08321	4.0
251.12602	1.3
269.12430	0.6
333.20480	2.3
439.19406	1.0
453.20944	1.2
469.20416	9.0
551.28284	8.4
681.34430	1.0
779.41772	100.0
780.42401	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	779.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
55.05510	1.5
57.03432	2.0
61.02925	5.4
67.05502	3.8
69.03421	3.1
69.07059	1.3
70.56761	0.4
71.01366	0.5
71.04992	1.0
73.02918	3.7
79.05486	3.6
81.03410	4.7
81.07049	4.6
81.21252	0.3
83.04964	1.1
83.08627	1.4
85.02898	6.0
85.06573	0.2
86.09688	1.7
87.04472	0.5
91.03962	3.2
91.05477	4.5
93.07040	3.8
95.04978	2.3
95.08604	2.1
97.02878	4.4
97.06540	0.6
97.10152	0.2
97.33974	0.2
99.04446	0.8
101.02359	2.2
105.07011	2.7
107.04947	0.9
107.08592	2.0
109.02881	0.7
109.06523	0.7
109.10166	0.8
111.04424	0.3
111.08097	0.7
115.03928	0.3
117.07043	0.8
119.08587	2.0
121.06552	0.3
121.10120	1.5
123.04436	0.6
123.11706	0.3
125.00020	1.0
127.03922	1.5
129.07014	0.8
131.08556	1.9
133.06532	0.4
133.10143	1.6
133.53876	0.2
135.11731	1.0
137.09610	0.4
143.08600	0.3
145.05002	0.5
145.10159	0.6
147.11664	1.5
149.09644	0.3
149.13319	0.4
157.10141	1.4
159.11665	0.3
163.11223	0.3
175.11223	1.0
176.52727	0.3
184.07343	4.4
185.04224	0.6
185.07756	0.6
193.12184	2.0
203.05307	0.6
211.13303	0.9
221.11397	0.3
243.08385	3.4
251.12617	1.1
259.07971	0.2
269.12473	0.7
285.16995	0.6
291.15533	0.3
307.15149	0.5
333.20248	2.2
389.23022	0.7
439.19385	1.0
453.21088	1.4
469.20435	12.7
470.20755	0.7
551.28290	4.2
592.48517	0.3
601.51514	0.3
667.32336	0.3
681.34656	0.8
779.41766	100.0
780.42072	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	779.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
55.05500	1.9
57.03431	3.0
60.08130	1.0
61.02928	8.3
67.05489	5.0
69.03415	5.4
69.07078	2.6
69.52665	2.8
69.53078	5.8
71.01347	1.2
73.02921	5.3
78.40065	1.0
79.05495	6.7
81.03420	5.1
81.07051	4.5
81.41116	0.9
83.04981	1.4
83.08611	2.0
85.02898	9.6
86.09709	1.1
89.06377	1.0
91.03979	5.8
91.05492	6.5
93.07016	5.9
95.04974	3.2
95.08614	2.6
97.02865	5.6
97.06531	1.7
99.04457	1.7
101.02375	2.5
103.03993	1.2
104.10759	1.6
105.07047	5.5
107.04928	1.1
107.08598	2.4
109.02847	1.3
109.06499	0.9
111.08090	1.2
117.07004	1.2
119.08583	3.8
120.56732	1.0
121.10077	2.0
127.03928	2.8
129.07040	1.6
131.08620	2.1
133.10147	2.8
145.10114	1.0
147.11688	3.6
157.10085	2.2
161.13176	1.3
171.11720	1.5
175.11298	2.0
184.07358	2.0
185.04271	2.5
187.00218	1.1
188.98892	1.0
193.12282	2.7
211.13370	1.7
243.08467	4.1
247.13049	1.9
251.12599	1.7
301.08853	6.5
315.10583	2.7
369.15240	1.5
371.17484	1.2
385.18362	4.7
429.17429	1.7
453.20889	1.2
465.20853	12.4
469.20404	23.7
495.21890	1.8
513.27081	1.6
525.23096	10.1
531.29083	2.2
535.29095	5.7
552.26776	1.2
594.29919	1.2
607.31030	3.8
609.32343	3.0
663.33917	1.9
677.39282	2.5
681.34113	2.7
693.34473	100.0
694.34955	3.5
695.39832	3.2
733.40808	1.3
761.40851	12.4
779.41565	77.9
780.41626	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	778.5374
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
55.05489	0.1
56.05034	0.6
58.06623	0.5
59.07399	0.2
60.08158	5.6
61.08481	0.0
64.78145	0.0
67.05501	0.2
70.06575	0.1
70.84236	0.1
70.84566	0.0
71.07368	3.0
79.05497	0.2
80.97414	0.1
81.07047	0.1
84.08121	0.1
86.09698	27.3
87.10015	0.2
93.07039	0.1
95.08601	0.1
98.20798	0.0
98.98454	2.7
104.10738	1.8
104.11274	0.0
106.09117	0.0
114.81997	0.0
116.92240	0.0
116.99489	0.1
121.10145	0.1
123.55503	0.1
124.99995	18.6
143.01003	0.3
153.34938	0.1
166.02658	0.2
184.07323	100.0
185.07698	0.8
186.19453	0.0
275.32230	0.1
299.44577	0.1
500.30786	0.1
518.32312	0.3
593.23865	0.1
595.46539	0.1
778.53754	2.8
779.53931	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.1
55.05503	3.3
57.03428	5.5
61.02924	9.2
61.56142	1.4
67.05180	1.8
67.05481	8.7
69.03411	5.6
69.07053	3.4
70.06596	3.3
71.60361	3.6
73.02911	6.0
79.05492	5.5
81.03423	4.6
81.07034	8.3
83.08611	3.1
85.02898	9.2
86.09716	1.7
91.03934	8.8
91.05483	4.9
93.06521	1.7
93.07029	9.3
95.04949	2.8
95.08624	3.0
97.02881	10.8
97.06482	2.4
99.04455	2.2
101.02359	3.1
101.26091	1.5
105.03491	1.7
105.06992	4.1
107.08578	6.6
111.08071	2.1
121.10163	3.7
127.03908	5.1
129.05467	5.0
133.10138	3.1
135.11714	5.4
138.09149	1.7
145.10072	2.1
147.11655	2.1
159.11731	3.3
181.04686	1.9
184.07372	6.6
185.04231	7.4
185.07744	1.6
195.13924	2.7
201.03694	3.3
203.05324	3.3
206.22818	1.6
221.11531	2.2
235.13045	4.0
243.08330	9.6
263.12585	1.9
301.08908	16.6
315.10675	6.7
318.39221	1.8
333.16785	2.6
343.13733	2.3
357.15265	3.1
369.15256	4.0
371.16800	5.8
373.11057	12.3
379.17017	2.0
385.18365	7.6
387.12546	2.2
425.21497	7.7
429.17416	4.8
439.19308	19.1
443.19235	4.3
453.20908	23.4
455.18427	3.4
457.20575	3.4
469.20319	5.2
471.21945	2.8
481.20511	6.0
483.22006	6.9
497.23663	6.1
511.21436	7.0
525.23120	9.9
531.30316	2.1
553.29669	3.6
567.31445	73.7
568.31464	4.3
579.31244	3.6
593.32562	3.1
594.33179	2.4
596.31537	2.1
621.32367	3.9
622.33087	16.9
625.31714	3.4
635.34332	4.1
651.33368	29.7
654.32239	4.5
664.35608	2.0
693.34424	21.7
694.35333	2.6
733.41223	53.9
740.93646	1.8
761.40491	7.7
777.40369	10.0
779.41650	100.0
780.42194	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	777.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58142	0.3
55.01863	0.7
55.05505	2.1
57.03431	1.8
57.03661	0.4
57.07053	1.6
59.04994	1.0
61.02903	0.6
67.05503	2.9
69.03422	2.8
69.06779	0.3
69.07062	4.1
71.04971	2.1
71.27237	0.7
79.05481	3.2
81.03402	1.4
81.03868	0.3
81.07047	8.2
83.04978	4.6
83.08614	2.0
85.02895	6.0
85.06533	5.3
91.05466	2.8
93.06464	0.7
93.07032	10.1
95.04971	3.0
95.08594	13.4
97.02892	1.8
97.06521	2.5
97.10144	0.8
99.04443	0.8
99.07480	0.8
99.08081	10.7
105.07028	4.7
107.04951	4.2
107.08584	22.1
109.02863	0.4
109.06502	5.3
109.09451	0.7
109.10146	8.8
111.04462	0.5
111.08059	3.0
113.09615	0.5
117.07009	0.9
119.08571	2.8
121.05647	0.7
121.06496	10.5
121.10133	19.5
122.10481	0.7
123.04360	0.6
123.08059	10.5
123.11684	1.9
125.05952	1.6
125.09632	4.3
125.13271	0.4
127.03902	1.0
127.07513	0.4
129.06972	0.5
131.08540	7.1
131.31392	0.4
133.10115	10.9
135.08035	8.6
135.08943	0.2
135.11647	2.8
137.09608	3.3
139.07509	1.1
139.11143	1.7
143.08600	0.4
145.04918	0.9
145.10098	2.4
147.11668	4.8
148.42599	0.3
149.09605	41.9
149.13235	11.3
150.09943	0.8
151.11162	12.0
153.09099	3.8
158.10892	1.0
159.07928	0.4
161.13252	0.5
163.11217	1.9
163.14806	16.3
173.13245	14.9
178.85905	0.4
189.12708	0.5
191.14290	40.4
192.14648	0.8
207.13846	1.4
208.14027	0.5
209.15344	100.0
210.15741	2.1
225.14897	0.8
226.15041	0.4
227.16435	5.6
364.02847	0.4
371.20685	0.5
387.12781	0.4
388.17603	1.1
388.67737	1.3
389.17435	0.4
616.17535	0.4
694.56506	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.9
55.05496	2.0
57.03438	0.9
57.07071	1.6
59.04997	0.9
67.05499	2.0
69.03424	2.2
69.07056	2.8
69.60397	3.6
71.04974	1.8
79.05502	2.6
81.03416	1.2
81.07056	7.3
83.04984	3.0
83.08607	2.0
85.02906	3.1
85.06547	4.5
91.05470	2.0
93.07047	7.8
95.04954	1.8
95.08604	12.2
97.02908	0.7
97.06503	2.8
97.10149	0.6
99.04431	0.6
99.08081	7.3
100.14256	0.5
105.07023	4.1
107.04965	4.1
107.08596	18.6
108.63674	0.4
109.06514	4.9
109.10157	6.6
111.04431	0.5
111.08067	2.1
117.06993	0.7
119.08581	2.9
121.05652	0.7
121.06500	10.7
121.10142	17.5
123.08063	8.8
123.11709	1.8
125.05988	1.2
125.09638	3.5
127.03935	0.9
131.08560	6.4
133.10120	10.6
133.11078	0.8
135.08060	8.9
135.11678	2.9
137.09607	2.0
139.07544	0.9
139.11171	1.7
143.08607	0.5
145.05014	1.2
145.10095	1.9
147.11707	3.2
149.09619	26.9
149.13260	8.7
150.09938	0.9
151.11188	10.9
153.01811	1.5
153.09093	3.1
158.10942	0.7
161.13257	0.6
163.11168	1.6
163.14818	15.6
173.13268	14.8
179.05389	0.5
187.78041	0.5
191.14308	39.8
192.14651	1.5
196.08942	0.5
209.15363	100.0
210.15723	3.0
223.70396	0.5
227.16458	6.7
233.15276	0.7
237.14816	0.9
305.17584	0.5
318.74146	0.5
349.95773	0.5
364.76077	0.5
371.20645	1.1
388.67383	0.5
597.49738	0.6
616.69659	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
55.05501	2.0
56.96552	0.7
57.03430	2.2
61.02928	4.1
67.05511	5.3
69.03429	3.9
69.07064	2.6
69.31763	1.5
69.32169	6.6
69.40876	0.7
71.04977	0.9
73.02907	3.7
79.05479	4.3
81.03423	5.7
81.07047	5.8
83.04977	1.9
83.08607	1.7
85.02901	6.6
91.03952	2.3
91.05494	5.7
93.07026	3.8
95.04979	2.9
95.08597	3.0
97.02895	4.0
99.04446	1.2
101.02374	1.9
105.07011	5.3
107.04946	1.5
107.08599	3.2
109.06530	1.5
109.10162	2.1
117.07054	0.8
119.08572	2.4
121.10168	1.5
123.04406	0.9
123.08038	1.1
125.00025	0.7
127.03887	1.6
129.07045	1.1
131.08537	2.0
133.10126	4.7
145.10179	0.9
147.11708	1.6
149.09650	1.8
151.11232	0.8
157.10167	1.5
168.62422	0.8
175.11157	1.1
177.00720	0.8
184.07379	2.3
185.04251	1.0
193.12309	2.5
243.08441	2.7
251.12617	0.7
331.18872	1.9
437.18069	0.8
451.19553	1.4
469.20340	5.5
494.09738	0.8
531.25757	1.9
541.23193	1.1
549.26563	4.7
679.33020	2.1
759.39307	5.9
777.40265	100.0
778.40265	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	776.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.2
55.05507	38.5
56.05842	0.5
57.03433	17.1
57.07061	2.3
59.04731	0.5
59.04993	3.4
61.02924	4.3
62.11890	0.5
65.03936	2.8
67.05499	100.0
69.03411	3.9
69.07063	16.1
71.01350	1.5
71.04986	4.6
73.02920	1.5
77.03931	0.8
79.05487	46.4
81.03414	5.9
81.07050	61.9
83.04977	5.8
83.08613	16.1
85.02898	14.3
85.06542	3.3
86.09707	1.7
87.04456	5.7
91.03940	1.9
91.04888	0.9
91.05473	24.8
93.07033	42.0
95.04974	6.7
95.08598	46.5
97.02875	3.9
97.06511	4.4
97.10160	22.7
98.21461	1.0
99.04466	1.2
99.08096	2.2
101.02380	0.6
101.06049	0.8
103.03923	1.3
105.04492	0.6
105.06296	0.7
105.07021	16.2
107.04947	2.8
107.08585	31.1
109.02827	0.6
109.06528	3.5
109.10146	56.6
111.04434	1.6
111.08088	3.3
111.11710	1.4
113.06006	0.7
113.09666	0.5
115.05438	0.7
117.07012	7.5
119.07886	0.4
119.08572	17.8
121.06503	1.5
121.10137	22.0
121.11024	1.1
123.04466	0.6
123.07288	0.5
123.08064	2.7
123.11690	6.4
124.99989	0.7
125.05957	0.7
125.09618	21.6
127.03925	1.5
127.11191	0.5
129.05490	1.1
129.06978	3.2
131.08568	10.9
133.10117	11.5
133.11087	0.9
135.08118	1.0
135.11678	13.8
137.09595	3.1
137.13245	2.2
139.11162	2.5
141.07011	0.7
141.86171	0.5
143.08562	2.2
143.10667	4.1
145.10101	10.7
147.08119	0.9
147.11681	7.3
149.09622	2.0
149.13245	5.6
149.75002	0.5
151.11174	1.7
153.08939	0.6
153.12737	1.4
155.08528	0.8
155.10594	2.5
157.10138	2.0
159.11685	6.9
161.09560	0.6
161.13234	5.4
163.06837	0.5
163.11177	5.5
163.14798	4.0
165.12694	0.6
167.10675	0.8
169.10138	1.2
171.11699	2.0
173.09581	1.1
173.11732	17.3
173.13268	5.7
175.11188	1.0
175.14783	2.1
177.12779	0.7
177.16342	0.9
179.14262	0.7
181.12250	1.8
183.11682	1.1
184.07300	4.9
185.13248	1.6
187.14757	2.8
189.11209	1.4
189.12766	0.8
189.16377	0.6
191.10678	1.8
193.12340	2.8
195.13992	0.6
197.13315	1.1
199.13278	12.3
199.14789	0.9
201.16344	1.2
203.12718	0.7
207.13844	0.6
209.11649	3.3
211.13208	1.3
211.14960	1.1
213.14771	0.9
217.14336	2.4
219.17393	0.8
227.12756	7.9
229.14328	55.5
233.15335	0.7
233.22733	0.7
241.14389	0.9
241.19478	0.9
243.21138	4.0
245.13737	4.0
247.17151	0.8
249.14894	0.5
255.86047	0.5
257.13800	1.2
259.20605	2.2
261.22116	17.0
267.15887	6.0
271.20563	1.0
276.55081	0.6
277.21558	1.9
279.23163	0.9
283.15332	2.8
285.22113	0.5
287.23697	0.6
289.21555	2.1
297.22186	1.0
299.23804	1.2
300.15701	0.7
301.16412	18.7
315.23242	1.4
317.24738	3.4
327.23166	1.4
331.22714	0.7
333.24323	1.9
335.25766	90.3
336.26071	2.3
345.24268	0.8
351.25342	1.4
363.25296	2.6
397.31128	0.7
407.28067	0.7
451.31885	1.4
459.34604	2.0
469.33383	0.7
477.35748	12.0
478.36142	0.7
487.34012	0.7
489.35703	20.8
507.37000	0.9
517.35132	1.7
525.35980	0.9
543.36841	5.4
561.37836	11.5
579.38489	2.2
690.35040	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.6
55.05508	40.0
57.03176	1.9
57.03433	15.5
57.07063	2.5
59.04990	4.1
60.08154	5.6
61.02911	3.8
63.07276	1.1
65.03936	3.1
67.05500	100.0
69.03420	3.4
69.07063	16.1
69.96861	7.0
71.04994	3.8
71.07369	2.1
79.05489	44.9
81.03400	7.7
81.07053	60.9
83.04967	6.7
83.08614	17.4
85.02901	15.1
85.06543	4.4
86.09704	23.4
87.04467	5.8
91.03946	1.9
91.05480	28.0
93.07043	40.5
95.04949	8.7
95.08597	42.1
97.02893	3.3
97.06512	5.3
97.10161	22.0
98.98465	2.3
99.08098	1.4
100.56503	1.3
105.07023	16.8
107.04967	1.5
107.08585	31.9
109.06500	3.7
109.10148	56.9
111.04462	2.1
111.08067	4.0
111.11732	1.5
115.05456	1.3
117.07014	9.3
119.08581	18.2
121.06524	2.2
121.10139	22.3
123.08051	3.4
123.11716	5.8
124.99987	18.3
125.09628	20.4
129.06987	2.8
131.08583	12.0
133.10127	11.8
135.08121	1.2
135.11681	13.9
137.09613	4.8
137.13252	1.8
137.99918	1.3
139.11174	4.1
143.08568	2.6
143.10680	2.9
145.10129	10.9
147.11693	10.2
149.09592	2.7
149.13240	7.1
155.08519	1.9
155.10667	3.7
157.10138	2.1
159.11674	6.2
161.13269	5.3
163.11162	5.8
163.14832	3.5
171.11621	1.7
173.09615	2.5
173.10298	1.5
173.11732	14.1
173.13252	5.7
174.28500	1.2
175.11188	1.8
175.14731	1.4
177.12761	1.5
181.12276	2.2
184.07329	86.8
185.13216	1.8
187.14784	2.7
191.10693	2.4
193.12222	3.1
199.13251	9.5
199.14842	1.6
209.11728	5.7
211.13258	1.3
217.14374	2.7
227.12785	7.8
229.14340	51.5
243.21092	3.9
245.13863	2.1
257.13821	1.4
259.20593	2.4
261.22125	14.6
267.15891	5.6
283.15414	4.1
285.22174	1.2
289.21613	1.5
299.23572	1.5
301.16428	18.6
315.39508	1.2
317.24539	1.8
335.25797	70.5
354.14334	1.4
363.25653	1.6
372.07385	1.6
372.85046	1.5
433.30927	1.6
451.32169	1.7
459.34848	1.9
477.35907	7.7
489.35678	11.0
543.36688	5.3
545.13226	1.3
561.37720	9.9
579.38763	2.7
672.42047	5.6
730.00867	1.5
776.46289	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.5
55.05507	40.8
57.03150	0.9
57.03432	17.7
57.03699	1.2
57.07069	3.2
59.05003	3.3
60.08159	2.7
61.02927	4.0
65.03941	2.1
67.05500	99.2
67.51730	0.7
69.03426	4.9
69.07064	17.9
70.66205	2.3
71.01353	1.8
71.04981	6.2
71.08624	1.0
73.02916	2.2
77.03917	0.7
79.05490	44.7
81.03413	6.9
81.07053	63.0
83.04984	6.3
83.08615	17.9
85.02903	17.4
85.06547	4.5
86.09705	8.7
87.04456	6.5
91.03960	1.7
91.04890	1.1
91.05476	26.6
93.07039	47.6
95.04956	7.3
95.08602	47.3
97.02888	4.1
97.06543	5.5
97.10168	23.0
97.10768	1.3
97.17198	0.7
99.08076	1.7
103.03932	2.1
105.07031	15.3
107.04969	3.4
107.08589	33.1
109.06528	2.8
109.10151	53.6
110.10524	0.7
111.04444	1.9
111.08088	4.1
113.09603	1.1
117.06992	7.2
119.08574	18.6
121.06512	1.9
121.10133	22.0
123.08084	2.9
123.11715	6.7
125.00012	3.7
125.09626	21.9
127.03886	1.3
129.05577	0.7
129.07018	2.0
131.08560	11.6
133.06424	1.1
133.10124	12.0
135.08046	1.7
135.11679	15.2
137.09634	2.5
137.13251	1.6
139.11148	3.8
143.08627	1.4
143.10681	5.6
145.10101	10.8
147.08031	0.9
147.11671	8.3
149.09641	2.2
149.13240	7.1
151.11217	1.2
153.12735	1.7
155.08632	0.8
155.10692	2.2
157.10149	2.9
159.11702	6.2
161.09630	0.9
161.13263	5.0
163.11162	7.4
163.14830	3.4
165.12743	1.4
167.10739	0.7
169.10046	1.0
171.11720	2.3
172.70720	0.7
173.09540	1.2
173.11746	15.4
173.13292	7.5
175.11176	1.8
175.14835	2.1
179.14415	0.8
181.12273	2.6
184.07332	27.7
185.11760	1.1
185.13297	2.1
187.14833	2.5
189.11253	2.2
191.10646	2.5
193.12250	1.9
197.13242	0.7
199.13263	12.1
199.14806	0.8
201.16452	0.8
203.12798	1.9
209.11678	4.1
209.55045	0.7
211.13222	1.7
217.14409	2.5
227.12775	9.0
229.14336	48.7
235.16792	0.9
241.14348	0.9
241.19472	1.5
243.21083	4.4
245.13884	2.2
257.13824	1.0
259.20581	2.9
261.22131	19.7
267.15848	5.2
269.17554	0.8
271.20657	1.6
275.19998	0.8
277.21698	1.7
279.23148	1.1
283.15509	3.7
285.16901	1.4
285.21988	1.2
289.21570	2.4
297.22382	1.1
301.16428	21.9
303.23117	1.4
309.21902	1.2
315.23145	2.2
317.24725	2.6
319.17487	1.5
327.23209	1.9
333.24319	2.5
335.25775	100.0
336.26248	3.4
351.25446	0.8
363.25232	3.0
403.31641	0.8
451.32050	1.5
459.34531	2.2
469.33066	2.0
471.34073	0.9
477.35629	14.3
489.35760	21.4
490.35941	1.0
525.35425	2.4
543.36780	6.2
561.37726	12.3
579.38611	6.4
622.80664	0.9
672.42175	1.2
776.45679	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.2
55.05508	4.4
55.76822	0.8
57.03436	4.1
61.02933	4.7
67.05505	15.1
68.05831	1.7
69.03432	4.9
69.07068	7.7
70.07355	0.9
71.05001	1.8
71.59788	0.9
71.60246	1.0
73.02919	3.7
73.03259	0.8
79.05492	12.0
80.05848	0.9
81.03416	3.9
81.07055	15.4
82.07381	2.4
83.04984	3.5
83.08630	2.2
85.02878	4.6
85.06567	0.8
85.40283	0.7
91.03957	2.5
91.05483	10.0
92.05807	0.8
93.07040	13.8
94.07385	2.0
95.04965	3.4
95.08612	7.7
96.08924	1.5
97.02901	5.3
97.06538	3.0
97.10139	1.4
99.04439	1.1
101.02374	1.0
105.07038	6.3
106.07374	1.1
107.04973	1.9
107.08595	7.6
109.02893	1.1
109.06533	1.6
109.10173	3.6
111.08096	1.6
117.07015	2.0
119.08558	4.3
121.06496	0.7
121.10182	3.8
123.08075	1.1
127.03892	0.8
129.05466	0.8
129.07008	2.0
131.08609	3.4
133.06567	0.8
133.10144	3.8
135.11710	2.5
137.09637	1.7
145.10149	2.7
147.11691	2.9
149.09662	1.6
149.13310	2.2
151.11252	0.9
159.11732	3.0
159.26953	0.8
161.13327	1.3
163.11209	0.8
168.25597	0.9
171.11717	2.3
177.12796	1.1
184.07413	1.8
189.12717	0.9
195.13887	1.1
196.14195	0.9
199.54829	0.7
243.08476	3.2
247.13193	2.2
269.17432	6.3
270.17938	2.8
275.20126	1.9
276.20624	1.3
301.98810	1.0
333.20508	2.0
349.23929	0.8
350.24261	1.0
389.23212	1.0
423.27209	0.8
424.27826	1.9
439.19547	1.0
453.20987	1.0
465.21045	9.4
469.20374	0.8
543.37231	1.2
544.37012	4.6
551.28253	7.9
562.38068	1.1
735.89166	0.8
769.38367	0.8
775.42358	100.0
776.42535	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	774.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68940	0.9
55.01857	2.3
55.05260	1.5
55.05507	19.6
57.03183	1.5
57.03434	16.6
57.07055	2.7
61.02911	1.2
65.03927	2.3
67.05502	54.3
69.03412	3.3
69.07066	13.5
70.86380	2.2
71.04982	3.0
71.08627	1.2
73.02898	0.8
79.05489	38.9
81.03413	76.4
81.07052	54.9
83.04961	3.8
83.08614	19.2
85.02879	1.7
85.06529	2.2
91.05475	30.8
93.07037	38.6
95.04961	28.7
95.08599	40.6
97.02874	2.1
97.06535	4.2
97.10168	5.4
99.08080	1.4
103.05480	0.9
105.06293	1.0
105.07022	24.1
107.04975	5.6
107.08589	24.9
109.06512	4.2
109.10150	17.9
111.04416	1.4
111.08073	7.4
115.05429	1.5
117.06995	7.9
119.04911	1.6
119.08575	23.6
121.06470	3.2
121.10148	22.7
123.04442	1.2
123.08041	3.0
123.11700	7.0
125.09639	4.1
128.06232	1.2
129.06998	9.0
131.08556	18.6
133.06487	2.1
133.10123	13.2
135.08038	2.4
135.11690	12.5
137.09605	2.6
137.13205	2.5
142.07703	2.1
143.08539	1.3
145.10123	9.1
147.08023	1.8
147.11665	12.5
149.09592	4.2
149.13264	8.2
155.08562	1.0
157.10121	10.8
159.11685	6.9
161.13286	5.2
163.11137	2.3
163.14809	3.6
165.12717	2.6
169.10179	1.2
171.11749	1.4
173.13235	5.2
175.11177	6.7
175.14755	2.5
177.12755	1.2
177.16379	2.0
183.11760	1.4
185.13217	1.3
187.14752	2.3
189.11224	2.6
189.12718	0.9
189.16402	1.3
193.12251	19.6
211.13220	1.8
227.12766	6.9
235.13226	1.3
243.21182	5.6
249.14835	2.0
261.22150	17.7
267.15900	100.0
268.16156	2.5
273.14905	1.3
279.23099	1.6
281.21024	1.1
299.23669	1.1
301.14090	1.1
301.25250	5.7
303.23157	1.3
309.17075	1.2
317.24692	3.1
327.23340	1.0
335.25784	96.8
336.26172	1.8
417.26590	1.4
421.25763	3.5
435.27228	2.6
435.32547	5.1
449.28824	1.4
453.33578	9.0
463.30368	1.0
471.34909	5.0
474.64130	1.0
475.30814	1.1
509.36105	2.5
523.06317	0.9
527.37292	72.0
528.37482	3.0
545.38312	61.6
546.38544	2.3
559.39478	3.1
569.38232	5.6
577.40991	1.6
611.39679	1.2
623.39429	1.6
635.39240	3.0
653.40015	1.8
671.41492	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	774.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	9.3
55.05508	27.3
55.63357	0.9
57.03434	19.9
57.07071	2.0
59.05002	1.1
61.02906	3.4
65.03944	4.7
67.05499	71.1
69.03426	11.4
69.07063	27.7
71.01344	2.2
71.04984	7.5
73.02898	2.2
77.59035	0.8
79.05485	57.8
80.05816	1.1
81.03411	73.9
81.07050	82.5
82.03738	1.3
82.07391	1.0
83.04978	22.4
83.08615	32.6
85.02898	28.1
85.06526	4.6
88.90501	0.8
91.03946	2.0
91.05472	63.8
91.63155	1.2
92.05773	1.3
93.07037	59.8
95.04964	33.1
95.08595	28.6
97.02883	8.2
97.06518	15.5
97.10168	6.3
99.04427	2.2
99.08092	4.2
100.82539	0.9
105.07019	47.8
107.04945	13.9
107.08588	36.0
109.02877	2.1
109.06513	9.5
109.10144	8.9
111.04427	4.0
111.08073	14.4
113.05997	3.3
113.09607	1.5
115.05410	2.6
116.06197	0.8
117.07000	12.4
119.04984	1.0
119.08573	36.6
121.06506	6.0
121.10133	20.2
123.04393	1.3
123.08046	5.5
123.11684	4.6
125.09631	4.8
127.03902	2.5
128.06165	1.1
129.05525	1.7
129.06995	15.9
131.07579	1.6
131.08554	26.2
133.06514	5.2
133.10123	31.2
135.08049	3.9
135.11678	12.3
137.05957	1.5
137.09532	4.5
141.06937	1.5
142.07767	4.3
143.08539	3.7
145.06436	1.1
145.10123	12.9
147.08026	4.6
147.11670	23.2
149.09608	14.2
149.13240	13.2
150.13687	0.9
151.11136	2.2
155.08540	1.7
157.06439	1.1
157.10120	19.8
159.11690	11.8
161.09583	1.8
161.13231	3.6
163.11154	7.8
165.12762	4.1
165.69670	0.9
167.08621	1.0
169.10156	1.9
171.11673	3.0
173.04378	2.0
173.13263	3.0
175.11177	17.9
177.12766	4.2
179.14311	1.8
181.12206	2.0
183.11682	1.4
184.07253	1.4
185.13249	1.3
187.14824	1.0
189.11160	1.6
193.12234	52.0
194.12582	1.6
195.13811	5.8
211.13268	62.1
212.13632	1.9
213.14783	1.6
217.15834	0.9
221.68536	0.9
227.12762	3.6
229.19412	1.2
239.17918	2.3
247.20592	1.8
249.14746	1.8
255.15910	12.8
257.18976	7.3
267.15897	32.6
269.17471	43.6
273.18436	1.4
275.20044	20.5
276.20499	1.6
278.12106	0.8
285.16943	68.3
286.17325	2.7
291.19467	1.5
293.20993	1.3
331.22546	1.2
339.18005	1.1
349.23679	20.4
350.23999	1.3
367.24634	4.1
369.24026	1.1
413.21765	2.3
416.69305	1.2
421.25732	1.2
443.27823	3.5
447.27457	9.3
461.28964	32.8
462.29102	2.4
465.28503	20.7
466.28854	2.1
479.30020	100.0
480.30447	6.8
513.35321	1.1
519.33344	1.6
541.35144	9.6
559.36255	22.9
560.36292	2.1
577.37097	6.1
623.33893	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	774.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	11.1
55.05509	33.6
57.03434	26.8
57.07062	1.5
60.24139	1.0
61.02912	4.5
65.03930	4.0
67.05502	76.3
69.03430	15.7
69.07067	39.1
69.25876	4.1
69.26298	9.4
71.01356	2.4
71.04994	10.6
73.02911	3.5
77.03931	1.6
79.05489	70.3
81.03414	85.4
81.07053	99.9
82.07386	1.4
83.04979	27.8
83.08617	37.7
83.51133	1.2
85.02903	35.9
85.03416	1.9
85.06544	6.8
91.03944	3.2
91.05476	77.1
93.07041	67.7
95.04965	43.6
95.08600	38.2
97.02878	8.6
97.06531	22.7
97.10165	11.1
98.20702	2.0
99.04453	2.6
99.08092	5.2
103.05461	2.0
105.04505	2.0
105.07024	56.7
107.04953	15.8
107.08588	39.0
109.02901	2.1
109.06503	9.0
109.10149	11.7
111.04459	3.9
111.08072	16.8
113.06009	5.0
115.05428	3.2
116.06226	1.2
117.07010	16.7
119.08577	45.7
121.06510	6.4
121.10144	22.1
121.10925	2.2
123.08066	7.2
123.11712	6.1
125.09618	7.2
127.03909	4.4
128.06232	2.6
129.05519	2.1
129.07004	19.8
131.08565	33.5
131.09521	2.4
133.06500	5.1
133.10126	32.5
134.30197	1.1
135.08072	4.2
135.11684	13.8
137.09615	5.3
138.68878	1.4
141.06995	2.3
142.07770	4.6
143.08527	5.7
145.06491	1.5
145.10114	16.8
147.08046	5.7
147.11690	28.7
149.09619	19.9
149.13243	9.6
151.11159	2.6
153.09157	1.9
154.07915	1.3
155.08546	3.1
157.10126	24.5
158.81474	1.5
159.08063	1.2
159.11682	14.7
161.09700	1.9
161.13271	3.4
163.11171	10.3
165.12753	6.8
169.10158	2.6
171.11725	3.1
173.04414	4.3
173.11887	2.1
173.13301	4.4
175.11171	21.2
175.12685	1.2
175.14705	1.2
177.12729	3.4
179.14363	2.4
181.12160	1.6
183.11697	3.1
185.13185	1.7
187.11185	1.3
187.14839	2.3
189.11215	2.6
193.12234	61.3
195.12082	1.4
195.13774	6.2
197.13153	2.5
205.12218	1.3
211.13275	88.8
213.16510	1.3
227.12799	11.5
229.14270	2.2
229.19604	2.0
239.17984	3.5
247.20689	2.6
249.15240	1.2
255.15909	14.3
257.18964	10.4
262.17725	1.2
267.15912	45.2
269.17471	29.3
275.17719	0.6
275.20056	35.6
285.16959	96.5
286.17212	1.7
293.17807	1.1
293.21176	2.9
297.88138	1.3
299.19662	1.5
321.24316	1.1
331.22659	4.0
337.16617	1.7
337.21201	1.0
349.23721	35.0
353.56537	1.4
367.24771	3.8
369.24484	1.3
385.68445	1.4
413.21790	2.5
421.25925	1.7
437.25092	2.1
439.26407	2.5
443.27924	3.5
447.27411	15.4
455.26395	3.2
461.28983	35.6
463.30246	2.0
465.28476	24.2
479.30045	100.0
480.30127	2.8
501.31552	1.5
513.77148	1.2
541.35193	19.5
559.36200	46.9
560.36279	1.2
577.37213	8.2
599.30176	1.9
623.34094	4.3
802.78772	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	9.1
55.05506	37.9
56.96558	2.9
57.03427	13.8
59.04985	2.0
59.76300	1.3
61.02917	3.8
65.03922	2.2
67.05501	50.7
69.03423	8.9
69.07063	24.6
71.04987	7.0
71.58897	1.1
71.60355	1.5
73.02911	2.7
77.03895	1.3
79.05489	55.2
81.03413	58.2
81.07054	48.7
82.07393	1.7
83.04973	18.7
83.08136	2.8
83.08613	41.1
85.02905	19.0
85.06525	2.5
86.09664	1.3
86.70435	1.3
91.03957	1.8
91.05473	49.5
93.07038	33.1
95.04358	1.8
95.04961	30.0
95.08600	22.2
95.94405	1.3
97.02880	5.7
97.06528	12.1
97.10165	38.3
99.04475	1.5
103.05437	1.6
104.06310	1.4
105.07027	43.7
107.04950	12.7
107.08589	52.8
109.02854	3.6
109.06509	8.5
109.10147	9.4
111.08086	10.6
115.05431	2.6
117.07047	8.2
119.08577	32.7
121.06464	2.5
121.10137	15.0
123.04398	2.0
123.08031	2.4
123.11689	4.2
125.09617	32.9
127.03892	4.9
128.06218	1.8
129.07014	14.3
131.08554	20.6
131.91359	1.3
133.06477	2.9
133.10120	24.4
135.08022	6.9
135.11707	7.0
137.05922	1.5
137.09595	2.6
142.07758	3.8
143.08546	4.3
143.10692	1.3
145.06528	1.3
145.10086	14.2
147.08049	3.8
147.11671	25.3
149.09615	17.0
149.13232	3.0
151.11145	2.8
153.09084	2.4
157.10135	14.7
159.11740	6.9
161.13239	4.3
163.11179	5.4
165.12766	4.5
171.10155	3.6
171.11736	3.8
173.13277	3.7
175.11208	12.4
177.12720	2.4
179.14279	1.7
183.11662	3.2
184.07327	6.7
185.13257	1.9
187.11162	2.0
189.11217	18.1
193.12219	40.5
197.13313	2.0
211.13281	66.8
227.12766	64.8
229.19530	1.4
239.17967	3.5
245.13837	3.6
257.19009	8.8
267.15918	22.5
269.10626	1.9
269.17331	2.4
275.20056	47.8
285.16943	57.9
286.17227	1.9
293.20819	1.8
299.20093	1.8
311.11584	1.4
315.23141	2.0
331.22638	3.2
349.23709	51.2
350.23743	2.1
367.24808	2.2
389.18176	2.5
419.24103	1.5
423.57410	1.4
437.25351	8.3
449.30563	3.0
454.41348	1.3
455.26324	17.7
461.28659	2.0
463.30524	2.3
467.31100	2.1
479.29538	1.9
523.34119	3.4
541.35199	43.9
542.35449	2.1
559.36273	100.0
560.36426	4.9
577.37317	10.0
581.28650	1.7
599.30438	3.1
708.89124	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	12.2
55.05256	2.9
55.05509	35.6
55.65395	1.4
57.03180	2.7
57.03434	29.2
57.07059	3.6
61.02925	7.5
65.03934	6.0
67.05503	69.5
69.03431	9.3
69.06717	1.1
69.07065	32.9
69.07414	3.3
70.99712	3.7
71.04986	7.7
73.02920	4.5
77.03931	1.9
78.72685	1.6
79.05488	83.4
80.05844	2.0
81.03414	60.4
81.07053	89.2
83.04980	24.4
83.08609	30.2
84.08958	1.7
85.02905	27.0
85.06541	4.4
86.09674	1.9
91.05476	100.0
92.05793	1.6
93.07041	78.4
95.04967	40.7
95.08599	43.2
97.02894	10.8
97.06522	13.5
97.10167	9.8
99.04453	2.0
99.08118	6.1
103.05467	2.9
105.04439	1.6
105.07025	81.7
107.04955	11.6
107.08588	39.7
109.06512	12.5
109.10157	21.8
111.04446	4.0
111.08082	16.4
113.06018	3.4
115.05421	3.8
115.75053	1.6
116.04694	3.5
116.06217	2.3
117.07002	21.2
119.05000	2.9
119.08576	62.4
121.06499	5.4
121.10130	32.2
122.67390	1.5
123.08053	10.1
123.11710	5.1
125.00013	2.1
125.09636	7.2
126.08404	1.7
127.03928	4.3
128.06253	3.1
129.05513	13.0
129.07001	22.2
131.08557	37.8
133.06541	3.1
133.10114	53.9
134.10526	2.0
135.08067	5.2
135.11679	18.1
137.09624	5.9
142.07787	6.4
143.08569	10.8
145.04904	1.9
145.10129	21.6
147.08035	5.0
147.11682	51.1
149.09602	15.5
149.13271	17.4
155.08588	2.3
157.08720	3.9
157.10106	30.0
159.11690	21.1
161.13268	19.3
163.11201	10.1
163.14841	3.4
165.12727	4.4
169.10181	4.3
171.10260	3.1
171.11691	11.2
173.13263	9.6
175.11154	16.6
175.14822	7.5
177.12759	5.4
179.14235	2.2
183.11647	4.5
184.07344	5.2
185.13260	8.6
187.14864	4.2
189.11205	3.3
189.12767	3.3
193.12247	46.5
195.13840	5.5
197.13319	2.9
199.13249	2.0
199.14850	6.7
203.14313	3.9
207.13734	1.9
209.13319	2.1
211.13263	49.7
211.15179	2.8
217.15813	2.1
227.12811	5.9
229.14386	1.9
229.19321	2.2
231.21060	3.7
239.17950	2.6
241.19518	17.5
257.19022	7.0
259.20544	42.0
263.94650	2.1
267.15933	23.6
269.17474	13.0
275.20059	17.0
283.15396	4.5
285.16968	51.6
293.20892	2.0
301.16461	11.3
313.21576	2.3
315.23264	2.9
324.43411	1.7
331.22717	2.4
333.24176	30.4
349.23798	10.1
350.24509	1.8
359.41660	1.8
376.20859	2.1
396.00327	1.9
433.30862	2.6
451.32150	3.4
461.28821	6.1
465.28601	2.0
479.30005	18.0
525.35803	10.7
531.71594	1.9
543.36963	26.9
559.36420	12.6
577.37231	4.3
775.41357	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	7.2
55.05509	28.0
57.03191	1.4
57.03438	18.1
57.07056	4.2
57.07323	1.1
59.04567	1.0
59.04977	1.3
60.49275	1.0
61.02917	8.3
65.03925	4.6
67.05502	100.0
68.05010	2.2
68.05835	1.3
69.03429	15.6
69.07065	42.1
69.84879	2.7
69.85298	3.4
71.01338	3.9
71.04990	9.1
73.02904	3.0
75.57388	1.0
76.02249	1.0
79.05489	56.8
80.05820	1.2
81.03414	22.4
81.07053	98.3
82.01387	1.0
82.07380	1.1
83.04544	1.2
83.04983	13.0
83.08133	1.9
83.08612	24.1
85.02896	10.4
85.06555	5.9
91.03916	3.2
91.05477	49.6
93.07037	69.5
94.07325	1.5
95.04964	17.6
95.08605	45.2
97.02889	13.5
97.06528	16.5
97.10167	7.4
98.20770	1.3
99.04447	3.6
99.08102	4.9
105.04597	1.1
105.07024	27.2
107.04961	8.5
107.08591	38.3
109.02869	2.8
109.06529	6.3
109.09455	1.8
109.10150	25.9
111.04424	2.5
111.08076	9.3
113.06010	1.5
115.05473	2.5
116.04636	1.6
117.07005	14.8
119.08569	20.8
120.53272	1.0
121.06512	6.0
121.10136	17.7
123.04417	2.4
123.08055	13.1
123.11697	6.7
125.09643	7.6
127.03910	6.0
128.06168	1.9
129.05473	9.7
129.06949	5.5
130.07857	1.1
131.08566	17.7
133.06467	2.4
133.10133	29.6
134.00677	0.9
135.08044	4.3
135.11696	19.8
137.09619	11.1
139.03871	1.5
139.11163	1.3
141.09177	1.5
143.08545	2.9
145.04883	2.1
145.10121	8.8
147.08069	3.1
147.11688	11.9
149.02283	1.8
149.09612	17.7
149.13240	18.4
151.11157	5.3
153.09164	1.1
155.08565	1.2
155.10648	1.9
157.10107	4.6
159.11656	11.7
159.37721	1.2
161.09589	2.8
161.13252	3.0
163.11130	4.0
165.09067	1.1
165.12759	2.9
166.74135	0.9
167.10771	1.2
167.14240	1.7
169.12187	1.3
171.10294	1.2
171.11679	3.5
173.04466	3.8
173.11714	7.9
173.13173	2.5
175.11205	2.6
177.12759	7.6
179.10435	1.0
179.14246	2.8
181.12218	1.5
184.07312	3.2
184.13377	1.5
185.09665	1.2
185.11723	1.2
185.13248	1.7
187.13264	2.3
189.11166	2.4
193.04851	1.3
193.12210	3.5
195.12018	1.2
195.13806	22.6
197.13301	1.2
199.13258	2.7
211.13283	3.4
213.14810	4.5
223.13327	1.4
227.12740	4.0
227.20142	1.0
229.14316	10.9
233.15321	1.8
239.16240	1.8
241.18021	1.8
243.15822	7.2
251.16237	1.7
253.14317	2.6
254.15094	1.4
255.15865	11.0
257.19031	3.7
258.31934	1.2
267.15863	8.7
269.17462	71.5
270.17859	3.1
273.18365	5.4
275.20050	12.2
285.16882	4.7
291.19498	9.2
291.22955	2.6
297.17148	1.1
301.16507	1.7
328.32031	1.6
331.22693	2.3
347.21960	1.4
349.23715	19.0
349.27640	2.2
355.17639	1.3
365.23080	8.4
365.26971	2.6
373.18692	4.8
383.27927	3.0
393.26416	1.6
420.28647	5.3
423.27362	35.4
437.28979	15.2
447.31134	2.6
449.28769	9.5
461.28983	3.7
462.29831	2.3
463.30386	3.1
479.30002	4.1
543.36792	23.3
544.37012	1.9
559.36145	4.3
561.37860	3.2
567.31311	2.2
577.36816	2.2
618.00293	1.2
774.43909	2.8
775.41168	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	774.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.5
55.05257	2.6
55.05506	32.5
57.03148	2.1
57.03432	30.3
57.07093	3.8
59.04999	2.4
61.02917	8.3
63.08698	1.5
64.97182	1.5
65.03936	4.0
67.05501	84.1
68.05827	1.5
69.03423	13.3
69.06719	2.5
69.07063	35.0
70.16538	4.2
70.16934	3.8
71.01336	1.4
71.04984	11.9
71.08620	1.7
73.02914	4.5
79.05488	78.2
81.03413	71.1
81.07051	93.1
82.04205	2.6
82.18893	1.7
83.04976	29.3
83.08615	33.5
85.02426	2.2
85.02903	33.6
85.06525	6.3
86.09706	3.1
91.03953	3.9
91.05473	100.0
92.05791	1.9
93.07036	82.4
95.04962	40.0
95.08597	47.5
97.02908	12.7
97.06510	15.9
97.10160	10.0
98.07312	2.0
99.04449	2.7
99.08080	6.3
101.09711	1.7
103.05457	1.8
105.04481	1.9
105.07023	90.8
105.92843	1.8
107.04946	16.8
107.08583	43.3
109.02869	2.7
109.06507	13.2
109.10140	20.3
111.04432	6.3
111.08080	16.8
113.06024	3.4
113.09611	2.0
115.05433	4.6
116.04691	2.3
117.07023	24.2
119.08569	69.8
121.06483	6.2
121.10135	34.2
123.08071	6.9
123.11679	5.7
125.09576	9.5
127.03915	5.2
128.06148	2.4
129.05505	12.2
129.06979	26.5
131.08562	40.2
133.06499	4.6
133.10121	62.4
135.08046	7.3
135.11673	20.9
137.09642	6.0
139.11098	1.7
141.07001	3.5
142.07750	6.0
143.07063	2.4
143.08549	11.3
145.04845	1.8
145.06560	2.3
145.10117	28.9
147.08052	8.0
147.11681	52.1
148.11928	1.8
149.09618	16.5
149.13231	18.5
151.11127	2.8
155.08545	4.1
157.08826	2.3
157.10114	30.6
159.11682	28.0
161.09610	3.3
161.13261	20.0
163.11162	8.7
163.14853	2.1
165.12782	5.0
169.10109	3.4
171.11662	12.7
173.09633	2.2
173.11899	2.7
173.13226	10.2
175.11182	21.6
175.14780	7.8
177.12744	5.4
179.14270	2.4
183.11719	3.5
184.07312	4.7
185.13277	10.1
187.11159	2.9
187.14803	3.3
189.11180	4.0
189.12802	2.3
189.16241	2.7
191.14299	2.3
193.12230	56.1
195.11801	1.7
195.13780	6.5
197.13269	4.2
199.13194	2.7
199.14883	5.2
200.06470	1.6
201.16331	3.0
211.13269	77.8
227.12859	6.2
229.14241	3.0
229.19484	2.7
231.21107	4.6
239.17876	2.2
241.19493	14.7
257.19046	6.9
259.20563	52.5
267.15912	31.0
269.17432	19.8
275.20026	24.2
283.15405	2.4
283.20868	2.1
285.16965	73.2
291.19495	2.0
301.16461	14.6
313.21658	2.7
315.23245	5.2
331.22641	2.0
333.20337	3.7
333.24225	49.5
335.25803	1.9
349.23785	12.3
387.25153	2.2
423.27060	2.0
433.30887	3.2
451.31778	4.5
461.28992	8.9
469.32983	2.7
473.28708	3.1
479.30011	33.4
515.37268	2.5
525.35724	21.2
541.34790	2.6
543.36761	44.1
544.36859	3.3
559.36420	13.9
561.37372	2.9
567.16681	2.1
577.36993	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	773.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.3
55.05505	0.9
55.40363	0.2
57.03416	0.5
58.78372	0.2
59.04993	2.5
61.02924	0.4
65.03934	0.2
67.05497	4.0
69.03427	1.5
69.07059	0.7
70.46445	0.2
70.55691	0.6
71.04990	0.4
77.03851	0.2
79.05486	1.1
81.03414	1.3
81.07043	2.0
83.04973	0.8
85.02905	2.8
91.03951	0.3
91.05471	2.2
93.07034	2.1
95.04963	2.6
95.08600	2.3
97.02884	0.8
99.04439	0.3
101.05985	0.3
105.07021	3.8
107.04933	0.7
107.07858	0.4
107.08580	7.4
109.02846	0.3
109.06507	10.7
109.10143	7.3
111.78831	0.2
113.06013	0.2
117.07001	0.4
119.04903	0.2
119.06107	0.3
119.08568	5.0
121.06500	0.8
121.10134	1.1
122.07288	1.0
123.08050	3.6
125.05937	0.2
125.09602	0.2
127.03934	0.4
131.08627	0.2
133.06471	0.6
133.10069	1.0
135.08064	1.4
135.11674	2.1
137.09601	100.0
138.09929	1.2
139.07510	0.3
143.08551	0.3
145.04936	0.4
145.10114	0.3
147.08041	0.9
147.11679	1.8
149.09616	2.1
151.07526	1.2
153.01837	0.6
153.09135	1.0
156.09361	0.2
159.11659	0.2
161.09593	0.5
161.13261	2.5
163.11159	0.6
171.11697	0.7
177.12680	0.3
179.14323	0.2
189.12714	3.1
207.13780	35.3
208.14069	0.5
224.08716	0.2
225.14851	0.7
303.04874	1.0
387.16595	0.3
706.58875	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	13.5
55.05510	26.9
56.71497	1.6
57.03435	22.4
57.07065	2.6
59.04992	3.9
61.02914	3.9
65.03940	3.2
67.05500	62.1
69.03416	6.6
69.07065	29.1
69.52972	11.5
69.53380	2.6
71.01344	2.3
71.04992	9.7
71.08615	1.8
73.02899	1.8
79.05485	61.0
81.03413	34.5
81.07050	86.2
83.01338	8.9
83.04980	21.9
83.08607	23.7
85.02901	14.6
85.06529	4.7
86.09684	2.7
91.04892	1.9
91.05475	58.2
93.07037	74.1
93.07628	3.6
95.04967	22.6
95.08603	32.1
97.02882	6.9
97.06525	17.1
97.10158	5.6
99.04452	4.0
99.08086	2.0
100.42480	1.5
105.07027	38.4
107.04952	17.3
107.08586	42.1
109.02802	1.9
109.06522	13.7
109.10155	21.8
111.04428	3.8
111.08069	11.5
111.68077	1.3
115.05473	3.6
117.07015	20.1
119.08577	33.1
121.06490	9.3
121.10130	24.9
123.08076	13.4
123.11694	5.6
124.99992	2.0
125.06008	2.4
125.09602	4.5
127.03916	1.9
129.05513	1.7
129.06999	9.4
130.07780	2.3
131.04901	2.1
131.08556	21.8
133.06480	4.4
133.10123	33.7
135.04390	1.6
135.08054	6.9
135.11684	20.0
137.09573	4.2
143.08572	4.2
145.06471	2.5
145.10110	26.9
147.08009	7.5
147.11679	13.1
149.09637	9.8
149.13263	11.7
151.11140	10.4
153.12744	5.2
155.08575	4.3
157.10100	7.0
159.11662	9.9
161.09642	2.8
163.11168	27.5
165.12724	1.7
169.10060	2.1
173.09546	3.9
173.13232	2.6
175.11206	7.3
177.12769	3.8
181.12146	3.5
184.07288	8.2
191.10686	2.9
193.12231	9.3
195.13783	5.6
197.13306	2.0
203.84235	1.6
209.11716	7.3
209.88728	1.9
211.13275	15.2
227.12801	8.3
239.17964	2.1
245.18916	2.2
251.16295	1.8
252.89818	1.5
253.14331	15.3
255.15805	9.1
257.19019	3.5
267.15933	8.0
269.17505	27.4
273.18524	8.3
275.20065	16.2
283.15372	79.6
285.16946	15.5
291.19510	11.1
347.22360	4.3
349.23709	16.3
365.23172	10.0
367.23975	1.7
413.21744	2.5
459.27283	2.8
463.26944	27.6
465.30511	1.8
477.28421	100.0
481.28146	5.9
517.31250	2.5
539.33423	3.0
557.34717	32.8
575.27252	2.3
575.35773	31.4
621.32269	3.3
782.08606	1.6
782.27228	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.9
55.05293	1.3
55.05507	13.3
57.03431	10.0
57.07072	1.9
61.02916	2.7
65.03928	1.5
67.05501	46.2
69.03419	5.3
69.07063	12.8
69.28198	1.5
70.25216	5.2
71.04978	5.0
79.05488	34.0
81.03415	35.5
81.07050	53.0
83.04974	17.9
83.08612	17.1
85.02912	8.3
85.06529	6.3
86.09677	3.2
91.05477	52.2
93.07037	34.6
95.04961	20.1
95.08605	16.7
97.02881	4.6
97.06517	6.1
97.10149	3.8
99.08059	2.9
105.07024	46.1
107.04947	10.2
107.08593	23.4
107.09312	2.4
109.06528	7.3
109.10154	37.8
111.04413	2.9
111.08060	8.9
113.05965	2.1
117.07001	5.9
119.04897	1.5
119.08580	19.7
121.06506	7.8
121.10125	10.8
123.04411	1.7
123.08051	4.1
123.11707	7.8
127.07499	2.8
129.06996	7.7
131.08565	13.5
133.06480	3.9
133.10121	56.6
134.26009	1.4
135.08051	6.5
135.11655	3.9
137.09575	2.3
142.07765	2.8
143.08524	3.4
145.10094	7.8
147.08025	4.7
147.11682	9.6
149.09612	8.3
151.11171	24.3
157.10103	8.4
159.11746	2.7
161.09587	6.0
161.13330	2.3
165.12735	2.1
169.12190	3.8
171.11633	2.6
175.11180	7.4
177.09187	1.8
179.10663	1.4
184.07399	10.1
189.12720	2.1
193.12234	24.1
211.13283	37.1
215.12856	1.6
227.17824	1.5
229.08105	1.4
245.18990	3.0
251.12737	3.0
253.14337	100.0
255.17545	2.2
263.19983	2.5
267.15894	11.9
271.15353	2.8
273.18451	19.2
275.19983	2.2
283.15408	1.6
285.16949	31.4
291.19528	23.9
293.26553	1.5
309.20660	2.8
347.22052	9.7
365.23260	28.9
445.25848	4.6
463.26700	13.2
481.27921	6.9
498.50800	1.5
521.12476	2.0
532.94684	1.7
539.33636	4.3
557.34674	18.1
575.35718	53.3
675.73535	1.8
764.50964	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	12.1
55.05505	34.2
57.03430	19.4
57.07067	1.7
58.56163	1.1
59.04987	3.0
61.02928	6.0
61.03165	1.0
65.03931	4.7
67.05498	66.2
69.03418	13.5
69.07063	40.8
69.27666	13.2
71.01326	1.4
71.04977	8.7
73.02901	2.5
73.06544	1.1
79.05485	58.7
81.03410	60.0
81.07048	65.0
82.07399	1.4
83.01330	4.9
83.04974	23.1
83.08610	34.3
83.38958	1.1
85.02898	22.3
85.06519	3.6
85.30809	0.9
87.04429	1.1
91.03922	1.8
91.05470	55.6
92.19238	1.5
93.07036	54.1
94.04205	1.2
95.04356	1.9
95.04958	32.4
95.08601	28.3
95.09223	1.2
97.02894	13.7
97.06522	13.4
97.10160	17.9
99.04451	3.3
99.08074	3.1
103.05433	1.6
105.07021	40.6
107.04942	19.2
107.08582	33.4
109.02847	1.4
109.06504	12.2
109.10146	11.7
111.04422	2.8
111.08067	10.6
113.05987	1.9
115.05445	3.1
117.06999	14.2
119.08570	37.0
121.06523	7.5
121.10134	20.3
123.04385	1.4
123.08054	13.2
123.11694	3.9
125.09610	13.3
127.03963	2.2
128.06230	1.7
129.05472	2.2
129.06989	14.5
130.07776	1.6
131.04858	1.2
131.08559	25.1
133.06480	5.3
133.09103	1.2
133.10118	22.5
134.07159	1.5
135.08078	5.1
135.11681	13.6
137.09578	6.4
141.06995	1.4
142.07765	2.6
143.08524	4.8
145.06432	2.2
145.10101	21.3
147.04337	1.1
147.08052	8.8
147.11681	17.4
149.09596	10.6
149.13239	6.6
151.11154	2.4
153.09029	1.6
153.12720	2.1
157.10126	13.1
159.08083	2.7
159.11684	8.0
161.09586	2.5
161.13240	1.9
163.11157	14.2
165.09114	1.8
165.12714	4.1
169.10161	1.3
171.10229	1.3
171.11655	2.5
172.07616	1.1
173.04485	1.2
173.09564	2.9
173.11798	1.8
173.13255	3.4
175.11142	11.0
177.12779	3.2
179.10771	1.8
181.12180	1.8
183.13785	1.3
184.07407	2.6
185.13307	1.4
187.11115	1.4
189.11192	4.9
191.10579	2.2
193.12215	32.9
195.13759	3.0
197.13289	1.3
199.11179	1.7
205.12221	2.6
209.11694	4.0
211.13261	51.5
223.13251	18.5
227.12779	13.8
239.17958	1.7
245.19089	1.7
249.14905	6.1
255.15825	3.8
257.18927	4.2
267.15884	32.1
269.17429	10.2
273.18463	17.9
275.17142	2.0
275.19989	13.5
283.15384	47.4
283.18524	2.6
285.16928	50.8
291.19507	100.0
293.21198	1.6
298.08820	1.1
313.21490	1.3
331.22659	1.6
347.22009	3.0
349.23718	13.0
365.23218	49.2
392.90759	1.2
437.25433	2.6
445.25565	1.6
453.24805	2.1
459.27545	2.2
460.22812	1.2
461.29391	1.5
463.26913	11.5
477.28442	51.0
493.28320	1.2
495.29111	2.9
539.33240	3.8
557.25848	2.0
557.34686	59.8
575.35742	75.3
576.35986	2.2
593.36780	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	12.1
55.05505	36.3
56.96541	2.6
57.03433	26.3
59.04991	29.3
61.02908	3.5
65.03934	3.4
67.05501	93.7
69.03411	5.4
69.07067	14.9
69.07385	2.7
69.26794	18.5
69.27206	3.6
71.04980	19.8
79.05486	44.6
81.03411	100.0
81.07048	49.6
83.01380	1.7
83.04974	18.4
83.08610	33.8
85.02915	9.5
85.06544	7.8
87.04465	30.5
91.05471	48.7
93.07029	39.4
95.04964	45.4
95.08595	25.1
97.02887	10.4
97.06503	12.6
97.10169	18.6
99.04447	11.5
103.05456	2.1
105.04418	1.9
105.07024	31.1
107.04940	21.6
107.08592	31.0
109.02866	3.8
109.06512	12.1
109.10147	56.3
111.04447	10.3
111.08056	14.2
113.05972	2.4
115.05457	5.5
117.06989	12.9
119.04942	2.4
119.08572	32.1
121.02859	6.1
121.06536	9.7
121.10135	22.3
123.04398	10.9
123.08063	5.6
123.11641	3.2
125.06010	3.0
125.09633	15.0
129.07002	17.4
131.08556	23.5
133.06473	8.1
133.10120	18.4
135.04416	8.5
135.08044	5.5
135.11711	8.6
137.05966	4.9
137.09618	6.1
139.03871	7.5
139.07523	3.2
141.06981	2.5
142.07759	4.2
143.08566	5.6
145.06480	6.1
145.10080	11.6
147.04343	9.8
147.08047	7.9
147.11674	20.2
149.05989	2.3
149.09621	24.4
153.01869	13.2
153.09076	5.5
153.12740	6.7
155.08537	4.1
157.10107	18.9
159.11772	3.5
161.05991	5.2
161.09480	3.1
163.11159	14.1
165.12802	5.4
167.10683	3.7
169.10193	3.3
173.09610	4.9
173.11691	12.1
173.13104	2.8
175.11163	21.0
177.05525	2.2
181.10197	2.3
181.12219	7.0
181.95398	2.1
183.11702	3.3
185.13234	2.4
187.11235	3.0
189.09126	2.5
189.11205	11.5
189.12782	3.8
191.10683	8.0
191.38652	2.6
193.12225	62.6
194.12511	2.0
197.15295	3.2
199.13293	9.1
201.12775	3.6
203.14577	2.2
207.13785	3.7
209.11670	12.2
211.11346	3.3
211.13298	43.9
217.12286	2.6
223.13261	2.5
225.14874	9.4
227.12761	22.9
229.12160	3.4
229.14328	37.0
231.13795	4.8
235.13264	6.9
247.13286	7.0
249.14891	20.7
251.12646	2.3
258.69376	2.0
259.13116	3.5
263.16406	2.5
267.15912	65.6
271.13040	2.2
273.14700	4.9
277.14417	2.4
283.15344	17.5
285.10229	3.3
309.12277	2.8
309.17108	2.6
315.17953	4.7
321.17038	3.2
331.18518	2.4
337.21603	9.3
355.22592	11.1
365.21091	12.1
373.23798	9.1
383.22122	28.7
391.24911	2.3
397.23773	3.0
401.23132	25.0
409.25964	3.4
415.24655	6.0
419.23972	3.7
421.25845	40.6
433.25760	8.5
447.27353	4.5
457.26004	12.5
459.27631	2.6
475.26794	32.8
489.28409	5.7
493.27881	11.0
507.29590	36.4
525.30402	13.2
621.32727	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	771.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01800	1.4
55.05424	8.8
55.05709	2.0
57.03344	5.0
57.06988	1.7
57.07239	0.7
61.02833	12.2
61.03168	2.1
65.03835	2.0
65.04162	0.7
67.05403	22.8
67.05803	3.1
67.82789	0.8
69.03324	8.0
69.06966	8.0
71.04913	1.7
71.08558	1.1
71.68043	0.6
73.02812	6.7
75.11501	0.6
76.66525	0.7
79.05384	13.8
81.03304	5.8
81.06947	23.5
81.07482	2.2
83.04867	3.0
83.08508	5.3
85.02791	12.3
85.06461	1.4
86.09624	1.0
91.03840	5.4
91.05363	15.1
91.42000	0.7
93.06925	17.3
93.07552	1.1
95.04852	4.7
95.08485	18.1
97.02771	9.7
97.06407	2.5
97.10048	4.1
99.04383	1.6
99.08011	1.1
101.02276	2.0
105.07018	15.4
107.04832	2.3
107.08460	10.7
109.02747	2.2
109.06389	2.2
109.10149	7.2
111.04388	1.3
111.08005	1.5
115.03839	0.7
115.05291	1.1
117.07008	8.4
119.08571	14.4
121.06407	1.3
121.10139	8.4
121.86744	0.6
123.07991	1.6
123.11567	2.4
125.09573	1.7
127.03775	2.5
128.06073	2.5
129.05435	0.8
129.06987	9.9
131.08559	12.7
133.10130	8.5
135.07986	1.1
135.11668	5.1
137.09497	1.1
141.06972	4.7
142.07613	2.4
143.08548	10.8
145.04861	1.0
145.10112	11.6
147.11678	7.2
149.02197	1.8
149.13120	1.8
151.11172	0.7
153.01720	1.1
153.06871	1.5
154.07620	0.8
155.08527	8.3
156.09251	1.6
157.10106	11.8
158.10735	0.7
159.07895	0.8
159.11676	10.3
160.12009	0.7
161.13220	3.9
163.11078	1.0
163.14662	0.9
165.06955	0.8
166.07730	1.2
167.08531	5.4
168.09218	2.1
169.10117	11.4
169.53000	0.7
170.10750	1.4
171.11685	8.1
173.09518	1.1
173.13191	5.6
175.11188	1.4
175.14777	1.6
177.16331	0.7
179.08417	1.9
180.09196	1.4
181.08719	0.6
181.10112	7.3
182.10704	1.4
183.11684	11.9
184.07152	2.0
185.13234	8.1
186.13583	0.8
187.14670	3.0
189.16330	0.9
192.09282	0.9
193.04875	1.3
193.09955	2.3
193.12041	1.8
194.05156	0.9
194.10841	1.5
195.11693	6.8
196.12209	1.1
197.13249	9.3
199.09494	0.9
199.14856	4.6
201.16258	1.3
205.10065	1.6
207.11612	3.1
208.12349	1.1
209.13268	7.0
211.13150	2.1
211.14975	4.1
213.16191	2.1
215.17793	1.3
219.11639	1.0
221.13316	4.4
222.13873	0.8
223.14786	5.1
225.16339	5.2
227.12592	0.8
227.17821	1.3
233.13129	1.6
235.14680	2.3
237.16237	2.6
239.17812	2.1
241.19489	1.6
245.13315	0.9
247.14749	1.2
249.16278	1.7
251.17868	2.2
253.19565	0.9
261.22028	1.8
263.17984	1.1
265.19446	1.2
267.15808	1.3
267.20966	1.0
271.20331	0.8
275.17526	0.9
277.19217	1.1
279.20969	1.0
281.22458	0.7
285.16910	0.9
285.21924	0.9
307.20505	0.9
313.21719	0.9
321.21753	0.8
323.23480	1.4
325.25217	1.0
335.26190	3.5
337.25082	1.8
349.25055	1.0
351.22910	1.0
351.26788	1.6
363.26593	0.9
365.28387	1.3
367.26532	0.9
379.26190	0.9
393.31622	1.2
435.32126	1.0
475.33060	1.0
487.34451	1.0
489.34839	0.8
499.39777	1.3
501.35327	1.3
513.36078	1.3
515.37134	0.7
517.40369	5.7
521.36261	0.8
527.37372	3.9
528.37762	0.7
535.41370	3.1
539.37500	2.3
541.39178	1.2
545.38440	5.8
573.42792	1.0
591.44055	7.5
607.43176	2.7
609.45105	100.0
610.45416	5.3
621.45068	1.2
651.46021	1.4
657.28546	0.7
675.45471	1.3
683.93542	0.7
699.46368	0.7
717.46674	1.0
735.48053	1.9
753.49756	1.6
771.50372	24.6
772.50745	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51734	0.4
55.01767	0.8
55.02018	0.8
55.05389	5.9
55.05691	3.0
57.03312	2.7
57.03618	1.1
57.06952	1.1
59.04894	0.4
59.31384	0.4
60.96358	0.3
61.02794	10.4
61.03144	4.1
65.03827	0.7
67.05362	12.8
67.05769	4.0
69.03284	5.7
69.03709	1.7
69.06923	6.9
69.07349	2.1
71.01258	0.6
71.01579	0.4
71.04854	1.2
71.05225	0.7
73.02769	5.6
73.03227	1.4
79.05338	9.5
79.05854	2.2
81.03258	3.0
81.03771	0.7
81.06897	15.3
81.07721	0.6
83.04832	1.1
83.08459	4.2
83.08997	0.8
85.02745	10.0
85.03313	2.0
85.06400	0.8
87.04361	0.4
91.03783	5.3
91.05312	10.1
91.05949	1.6
93.06870	12.0
93.07533	2.1
95.04806	1.6
95.08437	14.5
95.09111	2.1
97.02718	8.9
97.03410	1.3
97.06360	1.4
97.10000	2.4
99.04267	1.2
99.04906	0.5
99.07946	0.5
101.02209	1.8
105.06847	10.6
105.07629	1.3
107.04827	0.5
107.08408	8.1
107.09188	1.0
109.02705	1.1
109.06386	0.7
109.09967	6.3
111.07956	0.8
115.03800	0.7
115.05275	1.0
116.06061	0.6
117.06828	6.6
117.07727	0.6
119.08385	10.1
121.06399	0.7
121.09947	7.0
123.07867	1.1
123.11509	1.4
125.09442	1.1
127.03714	1.5
128.06030	1.7
129.05331	0.4
129.06801	8.0
131.08365	10.0
131.09422	0.7
133.09920	8.4
135.07901	0.4
135.11487	3.5
137.09407	0.4
137.13181	0.7
139.10944	0.5
141.06778	3.8
141.59734	0.4
142.07555	2.1
143.08354	10.6
143.09546	0.6
144.09155	0.7
145.04863	0.7
145.06337	0.6
145.10112	10.2
145.11150	0.6
147.11682	4.4
149.09474	0.6
149.13214	1.9
151.11031	0.5
153.06795	1.2
154.07552	1.2
155.08540	7.9
156.09331	1.7
157.10110	9.6
158.10707	0.4
159.07912	0.4
159.11668	7.9
161.09480	0.4
161.13249	3.0
163.11023	0.6
163.14635	0.7
165.06844	0.9
165.12543	0.4
166.07616	0.8
167.08572	3.9
168.09111	1.4
169.10112	10.2
170.10759	0.8
171.07841	0.5
171.11691	9.2
173.13258	4.9
175.14818	1.9
178.93320	0.3
179.08362	1.5
180.09174	0.8
181.10103	5.6
182.10765	0.9
183.11681	11.0
184.07115	0.6
185.09532	0.5
185.13232	6.6
187.14819	3.2
189.12480	0.5
189.16156	1.1
190.56636	0.3
193.10106	2.5
194.10802	0.5
195.11685	7.1
196.12222	0.6
197.13249	8.0
199.14807	4.8
201.16187	1.6
205.10048	0.4
206.10728	0.5
207.11655	2.7
208.12241	0.7
209.13263	5.7
211.14807	5.3
212.15196	0.4
213.16165	2.4
215.17740	0.7
219.11484	0.7
220.12408	0.4
221.13271	2.5
223.14798	5.6
225.16418	3.6
227.18056	2.3
233.13051	0.8
233.15173	0.4
234.13701	0.6
235.14864	2.1
237.16367	3.0
238.16898	0.4
239.18024	2.2
241.19490	0.8
247.14642	0.6
247.20473	0.5
249.16106	1.5
251.17677	1.6
253.19502	0.8
257.18808	0.5
259.14676	0.5
261.16235	0.9
263.17795	0.9
265.19244	1.3
267.21155	0.9
269.22623	0.4
271.20532	0.4
275.17700	0.6
277.19333	0.6
279.17117	0.4
279.20856	0.6
281.18607	0.6
283.16959	0.4
283.20248	0.6
283.23901	0.5
293.22449	0.4
297.21939	0.7
299.19949	0.4
303.20987	0.4
307.20166	0.6
309.22015	0.8
311.19690	0.6
311.23529	0.6
321.21826	1.1
323.23511	0.8
325.24939	0.6
327.23160	0.5
333.24765	0.4
335.23309	0.5
335.26303	0.5
337.25027	1.0
339.22888	0.6
339.26599	0.6
341.24609	0.5
349.25082	0.6
351.22961	0.5
351.26636	1.5
353.24615	0.6
353.28607	0.5
361.24973	0.4
363.26651	0.7
365.28357	0.8
375.26587	0.4
377.28207	0.4
379.25949	0.6
381.28003	0.4
383.29251	0.4
389.27719	0.4
391.30106	0.9
393.31628	0.6
395.29279	0.4
401.27570	0.5
403.29694	0.4
407.28534	0.4
413.30869	0.4
421.30746	0.5
429.31238	0.5
432.46915	0.4
435.31900	0.6
447.32364	0.8
449.33896	0.4
461.33914	0.6
471.31027	0.5
473.32669	0.7
475.35123	0.6
483.34259	0.4
487.34491	0.5
495.34357	0.4
499.39627	0.9
501.35583	1.1
513.35907	0.7
515.37750	1.2
517.40430	5.3
521.36053	0.8
525.35938	1.1
527.37091	0.9
529.38696	0.6
535.41449	2.7
539.37323	2.3
541.38831	1.2
553.42181	0.5
573.42828	0.7
591.44031	7.9
607.43591	1.9
609.45099	100.0
610.45514	4.2
611.46222	1.1
621.45166	1.3
633.45288	0.6
651.46295	1.1
699.46545	0.8
717.47021	0.9
735.48053	1.4
753.49854	1.7
771.50397	21.9
772.50568	1.0
776.97443	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.1
55.79186	0.0
57.88795	0.0
68.99786	0.1
69.03427	0.3
69.73260	0.1
69.73672	0.2
70.06577	0.0
79.01846	5.7
79.05484	0.1
79.83147	0.0
81.03414	0.5
85.02918	0.0
87.00832	0.1
95.01337	0.1
97.02882	1.3
98.21481	0.1
103.05418	0.1
105.07060	0.1
107.01303	1.2
107.04920	0.1
109.02869	0.9
109.03590	0.1
118.69165	0.1
121.06529	0.1
123.00826	0.2
123.04440	0.3
125.02340	4.0
127.03908	3.5
127.04887	0.1
131.04915	0.2
133.06476	0.1
135.04355	0.2
137.05959	0.1
139.03915	0.4
143.03384	8.3
144.03809	0.1
147.04385	0.1
151.03867	0.1
153.01811	100.0
154.02132	0.8
159.04373	0.3
161.06027	0.2
163.03914	0.4
165.01810	0.1
165.05408	0.1
166.05006	0.1
167.07022	0.1
177.05391	0.2
181.01306	0.2
181.08594	0.1
183.02812	0.1
187.03831	0.2
189.05318	0.1
191.03395	0.1
193.08569	0.1
205.04909	0.5
213.05473	0.1
215.03322	0.2
217.04970	0.2
219.02971	0.0
233.04419	1.3
237.03920	0.1
243.02872	0.2
255.06459	0.2
261.03937	1.4
269.04517	0.1
279.04965	2.3
283.05884	0.2
297.06274	0.1
301.07004	0.5
303.08618	0.1
305.02872	1.4
329.09988	0.0
421.08963	0.1
449.07010	0.2
609.67822	0.1
705.71576	0.1
771.10638	0.2
771.28558	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.2
68.99780	0.1
69.03408	0.2
69.63641	0.3
70.06589	0.2
74.09710	0.1
79.01839	5.8
81.03394	0.5
83.01335	0.1
87.00809	0.1
91.05457	0.1
95.01276	0.0
95.04931	0.0
97.02877	1.2
99.04414	0.1
103.05421	0.1
105.07028	0.1
107.01299	1.2
107.04896	0.1
109.02870	0.9
110.07153	0.1
111.00803	0.1
111.04388	0.1
119.05002	0.1
123.00780	0.3
123.04411	0.6
124.02591	0.1
125.01006	0.1
125.02330	4.0
127.03896	4.4
131.04875	0.1
133.06468	0.1
135.04384	0.5
137.02245	0.1
137.05914	0.1
139.03903	0.3
143.03372	9.3
144.03682	0.1
147.04378	0.2
149.06023	0.1
151.03894	0.4
153.01802	100.0
154.02127	0.8
159.04347	0.3
161.05977	0.3
163.03908	0.6
165.05359	0.1
166.06239	0.1
167.07030	0.1
171.04329	0.1
173.05965	0.1
175.03838	0.1
177.05420	0.3
181.01279	0.2
181.08556	0.1
183.02864	0.1
187.03821	0.2
189.05368	0.1
191.03392	0.1
193.04890	0.1
193.08585	0.2
201.05289	0.1
203.03410	0.1
205.04945	0.6
207.02847	0.1
207.06573	0.1
215.03403	0.2
215.06934	0.1
217.04990	0.3
219.02927	0.1
233.04404	1.4
237.03967	0.1
243.02809	0.3
243.06595	0.1
247.05988	0.1
253.05081	0.1
261.03918	1.4
269.04462	0.1
271.06000	0.2
279.04935	2.2
285.07480	0.1
287.05499	0.2
289.07098	0.1
295.06027	0.1
299.05417	0.2
303.08594	0.5
305.02823	1.4
313.07065	0.1
331.11734	0.2
343.12131	0.1
421.09280	0.3
423.10699	0.1
431.05692	0.1
449.06979	0.2
467.13116	0.1
483.16370	0.1
771.10010	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.2
68.99780	0.1
69.03408	0.2
69.63641	0.3
70.06589	0.2
74.09710	0.1
79.01839	5.8
81.03394	0.5
83.01335	0.1
87.00809	0.1
91.05457	0.1
95.01276	0.0
95.04931	0.0
97.02877	1.2
99.04414	0.1
103.05421	0.1
105.07028	0.1
107.01299	1.2
107.04896	0.1
109.02870	0.9
110.07153	0.1
111.00803	0.1
111.04388	0.1
119.05002	0.1
123.00780	0.3
123.04411	0.6
124.02591	0.1
125.01006	0.1
125.02330	4.0
127.03896	4.4
131.04875	0.1
133.06468	0.1
135.04384	0.5
137.02245	0.1
137.05914	0.1
139.03903	0.3
143.03372	9.3
144.03682	0.1
147.04378	0.2
149.06023	0.1
151.03894	0.4
153.01802	100.0
154.02127	0.8
159.04347	0.3
161.05977	0.3
163.03908	0.6
165.05359	0.1
166.06239	0.1
167.07030	0.1
171.04329	0.1
173.05965	0.1
175.03838	0.1
177.05420	0.3
181.01279	0.2
181.08556	0.1
183.02864	0.1
187.03821	0.2
189.05368	0.1
191.03392	0.1
193.04890	0.1
193.08585	0.2
201.05289	0.1
203.03410	0.1
205.04945	0.6
207.02847	0.1
207.06573	0.1
215.03403	0.2
215.06934	0.1
217.04990	0.3
219.02927	0.1
233.04404	1.4
237.03967	0.1
243.02809	0.3
243.06595	0.1
247.05988	0.1
253.05081	0.1
261.03918	1.4
269.04462	0.1
271.06000	0.2
279.04935	2.2
285.07480	0.1
287.05499	0.2
289.07098	0.1
295.06027	0.1
299.05417	0.2
303.08594	0.5
305.02823	1.4
313.07065	0.1
331.11734	0.2
343.12131	0.1
421.09280	0.3
423.10699	0.1
431.05692	0.1
449.06979	0.2
467.13116	0.1
483.16370	0.1
771.10010	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	9.4
55.05259	1.6
55.05507	22.1
55.18122	1.1
57.03434	8.6
57.07057	1.4
65.03600	1.1
65.03928	4.7
67.05499	64.0
69.03427	5.7
69.07063	25.2
69.59789	6.5
69.60197	2.4
71.01330	1.2
71.04990	5.6
73.06549	2.3
79.05486	76.9
81.03416	13.7
81.07050	72.1
83.04972	17.9
83.08614	10.7
85.02889	4.4
85.06507	3.6
86.09712	3.4
91.04893	2.6
91.05473	65.6
93.07037	75.3
94.07372	1.5
95.04961	25.3
95.08599	31.3
96.68790	1.0
97.02880	2.7
97.05981	1.6
97.06529	16.4
97.10168	6.3
97.31337	0.9
99.04489	1.6
99.08038	2.4
105.04481	1.5
105.07022	46.9
107.04295	1.1
107.04961	13.3
107.08588	31.9
109.02862	2.1
109.06519	8.9
109.10158	9.5
111.04430	1.5
111.08049	3.6
113.09634	1.5
115.05442	1.4
117.07001	14.9
119.08573	30.8
121.06483	4.1
121.10137	12.6
121.88534	1.0
123.08040	6.9
123.11681	4.1
123.41409	1.0
125.09635	3.8
127.03897	1.9
127.07553	1.6
128.06210	3.3
129.06993	15.8
131.08554	14.6
133.06496	2.0
133.10120	24.3
135.08054	2.2
135.11687	11.9
137.09624	3.0
143.08556	9.4
145.10114	20.5
147.08008	2.2
147.11678	34.5
147.12790	2.3
149.09615	10.4
149.13281	6.8
151.11174	2.2
153.01750	1.8
155.08517	2.2
157.10147	3.2
159.11678	12.1
161.09624	4.2
161.13240	12.8
163.11153	9.5
167.08409	1.2
169.10120	2.1
171.11681	22.4
173.04457	2.6
173.13260	3.8
177.12733	3.0
179.14316	2.9
183.11623	1.5
185.13254	1.5
187.11281	1.8
189.11238	2.4
189.12727	8.9
195.13811	1.5
197.13303	2.4
207.13782	21.4
225.14899	2.6
227.12706	5.9
229.19434	2.2
239.17934	3.0
247.20557	1.4
253.14180	2.6
255.15892	5.9
257.18970	7.9
267.15759	1.6
269.17456	14.8
275.17621	0.8
275.20047	25.6
281.17444	70.9
283.15369	1.2
293.20987	2.1
331.22736	3.2
341.25195	1.1
349.23700	18.6
367.24881	1.5
413.21677	1.2
432.79346	1.1
435.27435	2.2
451.26889	3.0
457.29611	1.3
461.28940	27.9
475.30499	100.0
476.30554	3.0
483.84116	1.0
504.45114	1.2
515.33789	2.0
537.35370	3.3
555.36841	46.0
556.37891	1.6
573.38086	7.6
619.34747	3.1
646.66052	1.2
692.51917	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	9.4
55.05259	1.6
55.05507	22.1
55.18122	1.1
57.03434	8.6
57.07057	1.4
65.03600	1.1
65.03928	4.7
67.05499	64.0
69.03427	5.7
69.07063	25.2
69.59789	6.5
69.60197	2.4
71.01330	1.2
71.04990	5.6
73.06549	2.3
79.05486	76.9
81.03416	13.7
81.07050	72.1
83.04972	17.9
83.08614	10.7
85.02889	4.4
85.06507	3.6
86.09712	3.4
91.04893	2.6
91.05473	65.6
93.07037	75.3
94.07372	1.5
95.04961	25.3
95.08599	31.3
96.68790	1.0
97.02880	2.7
97.05981	1.6
97.06529	16.4
97.10168	6.3
97.31337	0.9
99.04489	1.6
99.08038	2.4
105.04481	1.5
105.07022	46.9
107.04295	1.1
107.04961	13.3
107.08588	31.9
109.02862	2.1
109.06519	8.9
109.10158	9.5
111.04430	1.5
111.08049	3.6
113.09634	1.5
115.05442	1.4
117.07001	14.9
119.08573	30.8
121.06483	4.1
121.10137	12.6
121.88534	1.0
123.08040	6.9
123.11681	4.1
123.41409	1.0
125.09635	3.8
127.03897	1.9
127.07553	1.6
128.06210	3.3
129.06993	15.8
131.08554	14.6
133.06496	2.0
133.10120	24.3
135.08054	2.2
135.11687	11.9
137.09624	3.0
143.08556	9.4
145.10114	20.5
147.08008	2.2
147.11678	34.5
147.12790	2.3
149.09615	10.4
149.13281	6.8
151.11174	2.2
153.01750	1.8
155.08517	2.2
157.10147	3.2
159.11678	12.1
161.09624	4.2
161.13240	12.8
163.11153	9.5
167.08409	1.2
169.10120	2.1
171.11681	22.4
173.04457	2.6
173.13260	3.8
177.12733	3.0
179.14316	2.9
183.11623	1.5
185.13254	1.5
187.11281	1.8
189.11238	2.4
189.12727	8.9
195.13811	1.5
197.13303	2.4
207.13782	21.4
225.14899	2.6
227.12706	5.9
229.19434	2.2
239.17934	3.0
247.20557	1.4
253.14180	2.6
255.15892	5.9
257.18970	7.9
267.15759	1.6
269.17456	14.8
275.17621	0.8
275.20047	25.6
281.17444	70.9
283.15369	1.2
293.20987	2.1
331.22736	3.2
341.25195	1.1
349.23700	18.6
367.24881	1.5
413.21677	1.2
432.79346	1.1
435.27435	2.2
451.26889	3.0
457.29611	1.3
461.28940	27.9
475.30499	100.0
476.30554	3.0
483.84116	1.0
504.45114	1.2
515.33789	2.0
537.35370	3.3
555.36841	46.0
556.37891	1.6
573.38086	7.6
619.34747	3.1
646.66052	1.2
692.51917	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
55.05512	1.4
57.03426	2.4
61.02926	5.3
67.05495	4.6
69.03423	2.8
69.07072	1.6
71.04988	1.0
73.02911	4.1
79.05488	4.3
81.03413	2.7
81.07055	4.5
83.04987	0.6
86.09689	1.7
87.04456	0.7
90.02172	0.5
91.03970	3.4
91.05475	3.2
93.07034	4.1
95.04971	0.9
95.08599	2.9
97.02890	5.8
97.06550	1.0
99.04436	0.7
101.02381	2.3
105.07030	2.3
107.08599	2.2
109.02859	0.9
109.10173	1.3
115.03934	0.7
119.08601	1.3
121.10165	3.2
123.11704	1.1
125.00004	1.0
127.03944	1.8
129.06926	0.7
131.08591	1.9
133.10109	1.0
135.11670	0.6
145.10071	0.8
147.11676	1.0
149.09608	1.0
157.10100	1.0
159.11723	0.5
165.71133	0.5
184.07323	7.2
185.04242	1.0
185.07701	0.9
200.57182	0.6
225.10970	0.5
243.08392	3.9
251.12637	1.3
267.16083	0.6
269.13635	2.3
321.76379	0.5
335.25882	0.5
443.18893	4.4
455.80344	0.5
469.20615	3.0
475.45551	0.5
487.21500	3.9
519.29230	10.6
675.44305	0.7
679.36188	1.0
721.41595	0.9
747.42816	2.2
765.43872	100.0
766.44098	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	763.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.05504	1.2
57.03434	2.4
57.07045	0.5
61.02927	5.2
63.32788	0.5
67.05503	5.8
69.03425	4.1
69.07066	1.3
71.04988	2.6
73.02910	4.4
79.05492	3.3
81.03409	2.0
81.07048	6.8
83.08622	0.9
85.02898	8.0
85.06549	0.6
87.04443	0.5
91.03954	4.2
91.05472	2.9
93.07037	4.6
95.05005	0.5
95.08586	3.5
97.02896	4.3
97.10177	0.7
99.04465	1.0
101.02366	2.2
103.03949	0.5
105.07037	1.8
107.08591	2.6
109.02859	0.9
109.10171	1.7
111.08077	0.5
119.08624	1.1
121.10155	2.0
123.11725	1.0
127.03928	2.2
131.08604	0.8
133.10109	2.2
134.85017	0.5
135.11708	1.5
145.10129	0.7
149.13292	1.1
151.11211	1.1
159.11685	1.0
183.13841	0.6
184.85335	0.5
185.04233	0.8
243.08409	2.5
267.15637	2.4
335.26059	0.8
453.21136	0.5
485.23572	5.9
517.59363	0.4
519.29297	8.5
520.29346	0.6
560.39111	0.6
623.07715	0.5
763.45935	100.0
764.46326	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	763.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
55.05515	1.2
57.03429	3.0
57.07085	0.7
57.52057	0.5
61.02921	6.6
61.04629	0.4
67.05501	6.0
69.03422	3.7
69.07072	1.7
69.48303	4.0
71.05000	0.9
73.02917	4.7
79.05478	3.4
81.03426	1.6
81.07049	5.1
83.01087	1.2
83.04986	0.7
83.08623	0.9
85.02904	7.9
86.09698	1.1
87.04495	0.8
91.03944	5.5
91.05478	3.1
91.49071	0.6
93.07029	3.5
94.50609	0.4
95.01111	0.7
95.04990	0.7
95.08601	4.3
97.02881	7.2
99.04460	1.7
99.64369	0.5
101.02388	1.8
103.03972	1.0
105.07043	1.7
107.08555	2.8
109.02881	1.5
109.06556	0.7
109.10186	1.3
119.08582	1.2
121.10179	1.9
123.11699	0.6
125.00001	0.6
127.03891	2.4
129.05475	2.8
131.08580	2.0
133.10158	1.5
135.11722	0.8
145.04953	0.6
145.10126	1.0
147.11758	0.8
155.36725	0.5
157.08606	0.6
161.13237	0.6
171.79773	0.5
181.04747	1.7
183.06738	0.5
184.07333	5.9
185.04210	8.3
185.07634	0.7
195.06425	0.7
199.05908	0.5
201.03690	3.2
203.05356	1.2
225.28879	0.5
241.06871	1.0
243.08382	5.3
251.12531	1.0
262.22964	0.5
291.10843	0.5
301.08920	16.7
315.10425	5.6
317.08530	1.6
327.10483	1.1
327.23007	1.0
329.12323	0.5
335.25812	2.2
341.12039	1.1
343.13739	0.9
355.13739	1.6
357.15231	1.5
366.32620	0.6
369.15240	2.1
371.16660	2.6
373.11035	8.6
383.16943	1.7
385.18347	9.9
387.12692	1.5
394.06839	0.5
399.24991	0.9
401.14120	0.7
415.15805	2.0
423.19946	1.2
429.17371	4.3
455.18954	1.2
457.20221	2.8
463.23254	0.7
467.19162	0.6
469.20572	2.8
470.21100	0.8
471.22586	0.6
483.22211	1.3
489.24838	1.2
492.94067	0.6
509.23441	2.5
513.26727	1.2
519.29285	19.8
520.29785	1.2
523.25244	1.5
549.27051	2.0
563.28326	0.9
578.30621	9.0
591.31458	6.6
593.32941	0.6
605.33215	1.8
607.34338	0.7
610.29230	0.9
619.34460	2.2
633.35968	1.5
647.36603	0.8
661.39154	5.2
662.39948	6.6
679.40479	1.9
691.39972	0.6
701.42273	0.7
703.40479	1.5
713.46338	0.8
717.41797	0.9
745.41113	2.4
746.41998	1.1
763.42194	100.0
764.42590	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	763.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.01871	0.9
55.05508	1.9
56.96595	0.7
57.03429	1.8
57.07065	1.9
60.67028	0.7
61.02917	4.6
66.47745	0.6
67.05502	3.0
68.67301	0.6
69.03427	2.3
69.07074	1.0
71.04982	0.7
71.08609	0.6
71.62002	1.1
71.62342	0.7
73.02913	4.1
78.88321	0.7
79.05492	2.4
81.03423	2.3
81.07043	4.2
83.01127	1.2
83.04990	1.1
83.08639	0.8
85.02895	6.6
89.87691	0.6
91.03937	3.9
91.05488	2.1
93.07050	3.1
95.01044	0.8
95.04955	0.9
95.08616	3.0
97.02888	4.5
99.04431	0.9
101.02381	1.5
103.03969	0.6
105.07030	2.1
107.08593	1.8
109.02829	1.0
109.10144	1.3
117.05522	1.3
119.08521	1.4
121.10153	0.8
123.04200	0.8
124.54482	0.8
127.03917	2.4
129.05504	3.0
131.08603	1.0
133.10080	0.7
135.11708	1.0
140.33755	0.6
145.10088	0.9
147.11694	1.0
149.09781	0.7
157.08635	0.8
181.04724	1.1
183.06564	1.1
184.07330	1.5
185.04192	9.7
195.06438	0.7
196.98308	0.6
201.03773	2.8
203.05212	1.4
243.08400	5.1
259.08011	0.8
274.04221	0.7
301.08905	18.8
301.12100	1.2
315.10504	5.3
327.10495	1.3
329.30005	0.8
335.25830	1.8
341.12045	1.2
355.13840	2.0
355.61493	0.7
357.15277	2.3
369.15198	1.6
371.16901	2.2
373.11020	8.1
383.16830	1.4
385.18283	12.5
387.12714	2.9
393.68744	0.7
399.25113	1.4
415.15491	1.2
423.19913	0.7
429.17313	2.2
457.20609	1.6
467.18915	0.9
469.20483	3.5
483.22275	1.3
483.34470	3.1
495.22427	0.9
509.23688	2.8
510.24698	0.7
513.26666	1.1
519.29236	17.7
523.25323	1.1
535.28796	1.3
549.26587	1.7
563.27899	1.1
578.30603	9.7
591.22913	1.1
591.31329	7.4
605.32794	2.2
619.34747	2.3
633.35956	2.0
661.39001	5.8
662.40179	5.9
679.39667	3.1
703.40356	1.9
717.41693	0.9
745.40735	3.6
746.41876	1.5
763.42206	100.0
764.42651	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	763.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08147	1.5
66.89053	0.7
67.05506	0.7
67.88120	0.6
68.35425	0.6
69.03428	0.7
71.07332	0.6
71.60403	1.3
81.07040	2.2
85.02900	0.7
86.09702	9.4
87.10032	1.0
88.66920	0.6
93.07063	1.3
95.04988	0.7
95.08589	1.4
97.02869	1.4
98.98456	0.7
105.07046	0.9
107.04958	0.8
107.08585	1.2
111.15355	0.6
119.08505	0.6
119.87771	0.7
121.10119	1.1
124.99988	6.0
149.31165	0.6
184.07326	27.5
185.07669	3.9
233.51709	0.6
267.09198	0.8
281.35669	0.7
611.07629	0.8
710.41962	0.8
713.45551	2.7
717.33185	0.8
745.41528	0.9
763.40356	100.0
764.40503	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	763.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	0.7
60.08156	2.0
68.67256	0.6
69.41998	4.1
69.42422	2.7
71.07357	1.7
77.91029	0.7
79.05512	1.0
81.03398	0.7
81.47263	0.6
86.09702	12.5
87.10025	2.3
94.67554	0.7
95.08607	1.1
96.70702	0.6
98.98466	1.6
104.10749	1.3
124.99996	8.8
149.13164	0.7
150.73535	0.7
184.07329	49.9
185.07671	7.2
267.09109	1.1
299.54242	0.7
485.17819	1.2
713.45459	4.9
754.69977	0.8
763.40259	100.0
764.40277	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	763.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01865	0.7
55.05503	1.9
57.03433	2.1
61.02926	4.7
67.05513	3.9
67.59206	0.4
69.03429	3.4
69.07067	1.3
69.29157	1.7
69.29581	3.5
70.63171	0.5
71.01350	0.6
71.04999	1.1
73.02910	2.9
79.05488	3.6
81.03418	3.0
81.07054	4.1
83.05000	1.1
83.08619	1.9
85.02912	5.0
86.09715	0.5
87.04462	0.5
91.03967	2.2
91.05481	4.5
93.07030	3.9
95.04974	1.4
95.08616	1.9
97.02898	4.0
99.04467	1.0
101.02384	1.6
103.03973	0.7
105.07011	3.4
107.04932	0.6
107.08604	2.2
109.02861	0.9
109.10169	0.6
111.08088	0.8
117.07031	0.7
119.08559	2.3
119.13691	0.4
121.10159	1.2
124.99969	0.6
125.71314	0.4
127.03909	1.5
129.07011	0.6
131.08572	1.4
133.10129	1.7
142.07841	0.5
147.11720	1.7
149.13266	0.7
154.50436	0.4
154.67177	0.5
157.10138	1.0
159.11768	0.5
165.12756	0.4
175.11227	1.3
184.07390	2.1
185.04173	1.0
193.12283	0.6
203.05292	0.5
215.26875	0.4
243.08377	3.6
251.12520	1.0
312.63751	0.5
397.18259	0.7
453.20737	0.8
469.20444	10.6
470.20966	0.5
526.42712	0.5
535.28778	3.7
541.22675	1.2
551.28125	0.8
628.40857	0.5
763.42303	100.0
764.42719	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	761.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
54.60026	0.6
55.05506	2.2
57.03433	1.3
58.17049	0.6
61.02918	4.2
61.46262	0.5
67.05503	4.6
69.03430	3.2
69.07063	4.1
71.05022	0.7
71.59519	1.0
73.02911	2.1
79.05489	3.4
81.03410	4.0
81.07047	4.9
83.04974	1.2
83.08627	1.8
85.02905	4.6
86.09708	1.0
91.03951	2.2
91.05482	4.0
92.87062	0.6
93.07042	3.6
95.04957	1.6
95.08602	2.8
97.02914	3.6
97.06545	1.3
101.02409	2.1
105.07024	5.4
105.30534	0.6
107.04971	1.7
107.08601	1.6
109.02889	1.1
113.80697	0.6
117.07028	1.1
119.08579	3.8
121.06546	0.6
121.10116	1.4
123.04420	0.6
124.99981	0.9
127.03935	1.3
129.07024	1.1
131.08578	2.0
133.10074	3.5
135.11731	1.1
137.06020	0.6
145.10103	1.7
147.11690	2.2
149.09647	1.7
157.10170	1.0
159.11700	1.6
173.61952	0.7
175.11273	0.8
179.14301	1.3
184.07309	6.3
184.08768	0.7
185.04376	0.9
185.07692	0.7
193.12286	1.2
243.08415	2.5
251.12489	0.8
262.26651	0.6
269.12469	0.7
275.20319	0.8
315.19281	3.3
371.22021	1.3
426.12845	0.6
444.39667	0.6
469.20386	6.9
533.27155	11.5
610.92645	0.7
655.22913	0.7
748.70233	0.7
761.40698	100.0
762.28088	1.0
762.40991	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	761.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
54.24375	0.3
55.01870	1.0
55.05507	1.3
56.99446	0.3
57.03427	1.7
61.02924	3.9
65.03947	0.3
67.05495	3.7
69.03428	2.8
69.07065	2.5
70.61781	1.1
71.01352	0.5
71.04984	0.7
73.02914	3.1
78.38703	0.3
79.05483	3.4
81.03417	4.3
81.07052	4.2
83.04977	1.3
83.08610	1.9
85.02903	5.2
86.09698	0.7
87.04485	0.3
91.03951	2.5
91.05478	4.2
93.07030	3.0
95.01319	0.3
95.04972	2.0
95.08598	2.3
97.02884	3.6
97.06543	1.1
97.10169	0.3
99.04451	1.0
101.02377	1.9
105.07030	3.8
105.49503	0.3
107.04919	1.4
107.08594	1.6
109.02892	0.7
109.06546	0.5
109.10162	0.5
111.08081	0.4
116.75719	0.3
117.07019	1.1
119.08587	2.9
121.10165	1.2
127.03927	1.3
129.07047	1.1
131.08571	1.4
133.06444	0.3
133.10120	1.9
135.08061	0.4
135.11722	0.8
145.10155	1.0
147.11668	1.8
149.09662	1.1
153.09103	0.3
157.10126	1.6
159.11726	0.6
161.13278	0.6
165.12836	0.4
169.10135	0.3
169.43927	0.3
173.13382	0.3
175.11198	1.5
179.14384	0.5
184.07324	2.1
185.04195	0.5
193.12260	1.8
211.13269	0.7
243.08366	3.3
251.12610	0.9
275.20184	0.5
285.17038	0.5
298.97452	0.3
307.15021	0.6
315.19284	5.7
365.97495	0.3
370.48685	0.3
371.21906	1.1
430.82080	0.3
469.20432	12.6
470.20892	0.5
533.27203	5.6
534.27881	0.4
761.40723	100.0
762.41113	12.0
762.52179	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01862	0.6
55.05503	1.2
57.03426	1.5
58.69692	0.4
59.04995	1.5
61.02924	4.5
67.05509	2.6
69.03417	2.9
69.07064	1.2
69.39712	2.2
69.40147	1.7
71.04978	2.3
73.02915	3.5
79.05478	3.4
81.03420	6.2
81.07058	3.5
82.89484	0.4
83.04979	1.7
83.08614	1.8
85.02894	4.5
85.06538	0.8
86.09731	0.6
87.04451	0.7
87.71439	0.3
91.03961	2.6
91.05473	4.3
93.07034	3.4
95.04980	2.4
95.08579	2.3
97.02905	4.0
97.06537	1.1
98.20651	0.6
99.04467	1.1
101.02383	1.7
103.05457	0.4
105.07008	3.9
107.04969	0.5
107.08592	2.0
109.02884	1.2
109.06525	0.9
111.04446	0.5
111.08077	0.8
115.05486	0.4
117.07024	0.4
119.04950	0.5
119.08552	2.1
121.06458	0.5
121.10136	2.8
123.04434	1.4
123.08041	0.9
123.11653	0.5
127.03881	1.9
129.07037	1.7
131.04947	0.6
131.08530	2.3
133.06505	0.5
133.10147	2.5
135.11638	0.6
137.06013	0.6
139.03944	0.6
139.11185	0.4
142.07790	0.5
145.04979	0.6
147.04417	1.5
147.11697	2.0
149.09608	4.0
151.03896	0.7
153.01860	0.9
153.19572	0.4
157.10121	1.9
161.09557	0.5
165.12904	0.4
167.07014	0.5
175.11185	1.0
177.05457	0.6
181.12219	0.6
183.06589	0.5
184.07466	0.5
193.12222	3.0
197.15462	0.9
211.13412	1.0
225.14922	1.1
243.08340	2.4
245.15866	0.4
247.48811	0.4
267.15927	1.8
277.58975	0.4
283.15164	7.9
283.18088	0.7
339.17966	1.8
441.20578	0.6
465.39709	0.5
469.20480	0.9
501.23022	32.8
502.23413	0.9
599.34479	0.5
643.60333	0.5
689.21411	0.5
701.36426	0.7
761.39203	100.0
762.39655	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	760.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.7
54.04203	0.3
55.01849	1.3
55.05509	7.0
57.03434	6.8
57.07059	1.0
58.06599	0.5
60.08155	5.5
61.02937	2.4
63.12291	0.4
65.03931	0.9
67.05503	27.0
67.13766	0.4
68.05812	0.7
69.03422	2.8
69.06728	0.4
69.07063	6.3
70.54719	1.6
71.04967	1.5
71.07365	2.0
73.02885	1.3
76.59509	0.4
79.05489	18.2
81.03415	28.2
81.07053	24.8
82.07378	1.0
83.04982	3.8
83.08147	0.5
83.08617	8.3
85.02910	2.7
85.06509	1.1
86.09702	28.9
87.32135	0.4
89.06010	0.6
91.03950	1.0
91.05478	14.5
92.05794	0.7
93.07041	19.3
94.07337	1.2
95.04967	10.8
95.08605	17.6
95.09224	0.5
96.08924	0.7
97.02898	2.3
97.06530	2.7
97.10167	3.1
98.45647	0.4
98.98465	2.5
99.04393	0.6
99.08091	0.6
99.15205	0.4
101.02365	0.5
104.10726	2.0
105.04459	0.4
105.07023	14.2
106.07344	0.5
107.04968	2.6
107.08594	12.6
108.08906	0.9
109.02881	0.5
109.06508	3.0
109.09467	0.5
109.10159	7.1
111.04391	0.9
111.08092	3.1
111.09584	0.4
115.05421	0.5
117.07013	4.5
119.04949	0.4
119.07782	0.7
119.08582	10.1
121.06509	2.0
121.09309	0.7
121.10133	10.2
122.10401	0.6
122.29147	0.4
123.04390	0.7
123.08044	1.4
123.11687	2.6
125.00000	16.3
125.09592	1.8
127.03902	0.6
129.07001	4.0
131.08569	7.4
132.08897	0.5
133.06474	1.5
133.10120	7.1
134.10449	0.6
135.08041	0.7
135.11702	5.1
137.09610	1.1
137.13251	0.7
139.11176	0.7
142.07794	0.9
143.01071	0.5
143.08521	0.9
145.10098	4.2
147.08037	1.6
147.11684	7.0
148.12015	0.4
149.09595	2.4
149.13235	3.7
151.11130	0.8
151.14941	0.5
155.08539	0.6
157.10146	4.1
159.11691	3.7
161.13260	2.6
163.11156	1.4
163.14828	1.5
165.12776	1.2
166.02669	0.5
169.10101	0.5
171.11694	1.5
173.13286	2.3
175.11162	2.9
175.14810	1.4
177.12738	0.7
177.16336	0.5
183.11610	0.6
184.07333	100.0
185.07726	1.0
185.13307	0.8
187.14722	1.0
189.11206	1.3
193.12254	8.2
201.16328	0.8
211.13196	0.9
214.73904	0.4
227.12846	1.9
235.13345	0.5
243.08267	0.5
243.21114	1.6
249.14793	0.9
259.13297	0.5
259.20599	1.0
261.22156	6.7
267.15906	33.7
268.16324	1.2
269.17389	1.1
270.17780	0.6
279.23117	0.6
285.16962	2.3
301.25082	2.1
309.17001	0.9
317.24796	1.2
333.24289	1.0
335.25784	31.4
336.26221	1.8
411.19171	0.4
421.25943	0.8
435.27435	0.9
435.32657	1.7
437.16391	0.5
453.20911	0.6
453.33560	2.2
457.29233	0.4
465.20908	1.6
465.31183	0.6
466.21326	1.6
471.34976	2.0
475.30606	0.5
509.36017	0.7
527.37317	20.2
528.37793	1.8
536.29144	0.9
545.38348	23.2
546.38794	1.2
563.39276	1.6
569.38519	1.4
671.41144	0.5
710.43768	5.9
743.40204	0.8
760.43134	25.4
761.40869	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	758.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80039	0.6
53.03941	1.7
55.01865	1.2
55.05507	15.9
55.48434	0.7
57.03437	6.9
57.07066	2.3
57.87001	0.6
59.04995	1.5
61.02911	2.9
65.03937	2.1
66.35795	0.6
67.05500	70.7
68.05818	0.6
69.03409	1.8
69.06727	0.4
69.07061	13.0
71.04989	24.8
73.02940	0.9
73.06535	0.8
79.05487	35.4
81.03421	1.5
81.07049	100.0
82.07374	1.3
83.04966	3.7
83.08611	8.0
85.02914	3.8
85.06541	9.9
87.04440	0.8
91.03951	1.1
91.04884	1.2
91.05473	30.3
93.07036	43.5
94.07359	0.7
95.04393	0.9
95.04955	4.8
95.08601	29.4
95.86752	0.6
97.02885	2.5
97.06504	5.6
97.10149	3.5
99.08099	1.2
105.07024	17.1
107.08583	23.4
108.08968	0.6
109.06528	1.9
109.10149	14.7
111.08102	2.0
112.75064	0.6
116.81345	0.6
117.06997	5.0
119.08579	8.9
121.10133	18.9
123.08073	0.9
123.11696	15.4
125.09582	0.9
129.07014	1.2
131.05153	0.6
131.08542	8.0
133.10123	19.5
135.08058	0.8
135.11671	11.1
136.12019	0.7
137.27505	0.6
143.08588	0.6
145.10114	4.9
145.35904	0.6
147.11665	4.1
149.13240	7.2
151.11185	6.3
153.12785	1.0
157.10133	0.8
159.11693	6.4
161.13229	3.0
163.14812	1.1
167.14117	0.6
169.12257	1.1
171.11743	1.2
173.13268	2.4
175.14777	1.0
177.12761	2.0
183.13847	1.8
185.13345	1.0
187.13284	3.9
187.14777	1.1
195.13737	1.5
197.13261	0.8
201.14738	0.7
201.16370	0.6
227.16370	1.2
243.15956	0.8
243.21190	0.6
253.17940	0.6
257.17459	1.3
261.22266	3.6
269.17444	5.8
273.22073	0.7
301.20053	19.1
317.24673	1.0
328.58456	0.6
335.25781	29.5
336.26218	1.4
411.32614	1.3
429.33621	0.9
437.34033	1.1
445.24069	0.9
449.34006	0.6
485.36209	3.4
503.37277	94.0
504.37582	6.1
517.38965	4.2
529.38898	16.4
530.38934	1.4
561.41467	95.9
562.41760	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	758.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.0
55.01863	7.5
55.05258	2.7
55.05505	35.5
57.03434	24.9
57.07069	4.2
60.08154	2.9
61.02907	6.3
64.47417	1.4
65.03931	3.3
67.05499	69.7
69.03417	6.6
69.06721	2.2
69.07061	23.3
70.09785	6.1
70.83329	1.3
71.04983	6.7
71.07351	1.8
73.02911	1.9
79.05487	79.4
80.43252	1.5
81.03415	70.3
81.07047	77.8
83.04977	18.7
83.08615	32.9
85.02895	31.1
85.06532	6.1
86.09692	10.9
91.05473	97.2
93.07037	76.9
95.04364	2.9
95.04962	37.7
95.08599	45.2
97.02876	4.5
97.06513	9.5
97.10175	10.8
99.08075	4.7
103.04014	1.7
103.05434	2.0
105.04568	1.8
105.07021	85.2
107.04950	12.6
107.08590	44.1
109.06512	11.1
109.10146	18.4
111.04440	3.8
111.08073	13.3
113.06010	3.8
113.09626	1.7
115.05432	4.2
117.07016	22.7
119.08573	79.5
120.87199	1.5
121.06464	2.0
121.10129	36.3
123.08041	4.3
123.11697	6.5
124.99979	7.1
125.09600	6.1
127.07569	2.4
128.06184	4.7
129.06989	24.5
129.57758	1.9
131.07576	2.9
131.08551	42.5
133.06487	4.6
133.10123	56.4
135.08072	2.6
135.11691	16.0
137.09605	2.8
139.11169	1.8
141.06940	2.2
142.07759	6.1
143.08543	10.3
145.10110	25.3
147.08028	6.3
147.11682	52.1
149.09618	9.4
149.13219	13.0
151.11131	2.1
152.18471	1.5
153.12772	1.7
155.08577	6.1
157.10106	29.6
159.07927	1.6
159.11685	22.7
161.13252	24.2
163.11165	6.1
163.14809	2.7
165.12730	4.6
169.10139	4.5
171.11647	14.7
173.13225	11.8
175.11197	16.4
175.14778	11.5
177.12668	3.6
181.09955	1.7
183.11697	4.3
184.07339	33.4
184.43889	1.6
185.13261	12.9
187.14789	3.8
189.11201	4.1
189.12717	2.4
193.10439	2.5
193.12222	49.4
195.11745	3.1
197.13246	3.8
199.14859	7.9
209.13309	2.0
211.13271	59.9
211.15242	3.8
213.16418	1.7
221.13367	1.8
227.12669	9.3
229.14229	2.8
231.21022	5.2
241.19482	24.2
257.19046	4.6
259.20563	67.7
260.20755	2.1
261.22189	2.1
267.15875	22.2
269.17371	13.0
275.20065	3.7
277.21619	2.4
279.21002	1.8
283.15369	6.7
283.20596	3.1
285.16931	69.7
311.24054	2.0
315.23190	9.0
327.22931	2.6
333.24210	61.2
335.25858	3.4
349.23718	7.2
351.25214	3.2
421.26166	1.9
423.32523	3.1
433.30939	9.7
439.27411	2.3
449.29144	2.4
451.32010	11.0
463.30353	4.6
469.33011	6.5
507.34457	2.6
515.37506	4.3
525.28497	2.6
525.35730	37.4
543.36792	100.0
544.36731	3.5
561.37585	5.9
758.42920	2.2
759.38824	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	758.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.1
55.01864	3.7
55.05256	2.2
55.05505	22.6
55.69839	1.2
55.91102	1.1
57.03431	13.5
57.07068	2.6
61.02914	3.0
65.03924	2.5
67.05499	52.5
69.03409	4.8
69.07059	17.5
69.95992	4.1
69.96404	3.0
71.04980	5.4
71.08635	2.0
72.04512	2.0
73.02906	2.4
77.03871	1.5
79.05486	53.1
81.03413	45.0
81.07049	56.2
83.04968	12.8
83.08613	20.2
85.02891	20.5
85.03366	1.8
85.06524	3.9
86.09704	5.3
91.05469	73.9
93.07034	55.4
93.07626	2.8
95.04965	25.6
95.08599	36.1
97.02883	5.1
97.06521	6.9
97.10170	8.5
98.20690	1.4
99.08083	3.3
100.03994	1.4
103.05431	2.1
104.10738	1.4
105.07021	76.9
107.04919	7.6
107.08579	34.7
109.06525	6.5
109.10150	15.2
111.04412	1.4
111.08080	8.8
113.05988	2.6
115.05458	3.4
117.07002	16.3
119.08567	58.8
120.08930	1.7
121.06479	3.3
121.10126	24.6
122.10469	1.2
123.08064	4.0
123.11689	3.5
124.99978	3.8
125.09601	3.0
128.06218	3.7
129.06995	19.3
131.08560	32.1
131.09512	1.9
133.06470	2.0
133.10117	48.9
135.08028	3.0
135.11678	16.9
137.09612	2.7
141.07033	1.9
142.07741	4.3
143.08543	10.4
145.10100	22.6
147.08064	3.9
147.11674	44.8
149.09630	6.8
149.13287	10.6
151.11195	2.1
155.08566	2.3
157.10124	19.6
159.11665	18.1
161.13240	21.6
163.11209	3.6
163.14777	3.3
165.12766	3.9
167.08441	1.2
169.10112	3.2
171.11713	12.5
173.13264	10.3
175.11157	12.9
175.14809	8.4
177.12712	1.8
181.10146	1.4
183.11705	3.5
184.07335	15.2
185.13217	9.7
187.14748	3.3
189.11214	2.4
189.12772	1.9
193.12228	33.7
197.13258	2.2
199.14856	6.0
201.12718	1.5
203.14325	1.4
209.13510	1.6
211.13271	43.1
211.15259	2.6
213.16411	3.0
217.15932	1.5
227.12718	3.9
229.14328	2.6
231.21130	5.8
239.18004	1.4
241.19487	28.9
249.14915	1.3
257.19003	3.6
259.20554	84.8
260.20892	1.7
261.22180	1.5
267.15872	21.3
269.17450	4.9
275.20108	2.2
277.21674	2.6
283.15405	3.4
283.20535	1.6
285.16925	53.3
297.22089	2.4
315.23083	9.8
333.24207	66.8
334.24713	2.2
335.25778	4.1
349.23724	2.1
382.32776	1.4
415.30310	2.5
433.31381	6.3
435.27246	1.3
451.32132	9.8
463.30991	2.0
469.33078	3.8
487.34180	1.8
497.35928	1.9
507.34848	2.8
515.36932	3.5
525.35718	38.2
526.35925	2.7
543.36792	100.0
544.36969	7.3
561.37262	5.6
596.41589	2.5
651.38782	2.0
758.45923	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	758.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01619	0.9
55.01867	11.7
55.05508	23.2
57.03433	20.4
57.07071	3.0
59.04983	0.8
61.02923	4.9
65.03925	1.8
67.05499	54.6
68.05797	0.6
68.42819	0.5
68.93497	0.6
69.03436	4.1
69.06714	0.9
69.07066	12.6
70.04205	0.6
70.05264	3.0
71.01345	1.1
71.04983	2.9
73.02917	4.5
79.05485	38.5
80.05816	0.7
80.06273	1.2
81.03411	12.4
81.07049	50.6
82.04191	3.8
83.04974	10.6
83.08134	0.9
83.08612	12.6
85.02898	7.5
85.06522	2.1
86.09694	1.0
90.99831	0.5
91.03943	2.3
91.05473	26.7
93.07037	40.8
94.07838	1.1
95.04964	14.1
95.08598	35.3
97.02879	5.1
97.06512	7.8
97.10161	12.3
97.71676	0.6
98.07298	5.7
99.04456	0.7
99.08068	1.8
101.05996	1.4
103.05434	0.8
105.07020	19.2
106.07822	1.0
107.04940	3.3
107.08585	23.0
108.09390	0.8
109.06516	4.2
109.09457	1.1
109.10154	18.2
109.10915	0.9
111.04441	1.0
111.08067	5.3
113.05998	0.6
115.05428	0.9
116.04701	14.3
117.06992	7.6
119.08566	15.1
120.09338	0.7
121.06502	1.8
121.10128	18.0
123.08057	4.0
123.11704	5.1
125.08752	0.9
125.09620	12.8
126.10397	0.6
127.03917	0.8
127.07523	0.8
127.11174	0.8
128.06183	0.6
129.05467	34.5
129.06885	4.5
131.08554	11.3
133.06500	0.6
133.10117	16.6
135.08058	3.0
135.11676	11.1
136.12537	0.6
137.09630	2.8
137.13235	1.3
139.11183	1.2
142.07797	0.8
143.07021	8.0
143.08522	1.5
143.10641	1.1
145.06447	0.8
145.10123	8.3
147.08034	1.7
147.11659	10.4
149.09608	2.3
149.13246	6.0
151.11162	1.7
151.14569	0.7
153.09109	1.7
153.12744	1.0
155.08495	0.6
157.08588	15.9
157.10088	5.3
159.11655	4.6
161.13232	4.8
163.11136	2.7
163.14830	2.2
164.11960	0.6
165.12772	1.6
169.10208	0.7
171.06517	1.0
171.10159	5.8
171.11685	1.6
173.11749	1.5
173.13254	4.1
175.11157	3.6
175.14816	1.9
177.12599	0.7
177.16393	0.7
181.12254	1.1
184.07372	4.6
185.11737	1.7
185.13242	1.3
187.14812	2.0
189.11180	10.2
191.10645	0.8
191.14343	0.7
193.12230	8.6
199.13300	4.5
199.14560	0.6
200.14050	2.1
201.12941	0.7
201.16379	1.1
203.12639	0.5
209.11697	1.3
210.12502	0.8
211.13232	4.8
213.14717	1.2
227.12770	10.6
228.13370	0.9
229.14330	2.1
241.14293	0.7
243.21117	3.3
247.16647	0.6
255.15927	1.2
259.20499	1.8
261.22110	9.3
265.17856	0.7
267.15756	4.6
269.17523	0.8
277.21619	3.7
283.15369	1.9
285.16992	1.8
299.23584	0.8
301.16434	100.0
302.16742	2.0
315.23215	1.4
317.24655	2.0
333.24188	1.6
335.25769	65.6
336.26083	1.6
351.25241	1.6
353.26886	0.7
361.25684	0.5
389.26767	1.3
449.28787	0.6
451.31958	0.8
460.95102	0.5
489.34958	0.7
527.37476	5.3
528.37415	1.1
543.36609	2.1
545.38208	1.3
561.37805	47.5
562.38013	1.9
579.39673	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.5
55.01620	0.8
55.01868	11.7
55.05506	27.3
57.03429	21.0
57.07069	4.9
59.04983	1.5
61.02916	6.0
62.89553	0.5
63.41256	0.6
65.03930	3.0
66.04763	0.5
67.05498	71.6
68.05830	0.9
68.06250	0.5
69.03425	6.0
69.07061	19.7
70.07386	0.7
71.01331	1.1
71.04992	4.5
71.08623	1.2
73.02905	5.3
73.06557	0.5
77.03920	0.8
78.04679	0.7
79.05485	46.7
80.06268	1.4
81.03411	16.5
81.07048	64.4
82.04180	4.5
82.07393	0.8
83.04973	12.2
83.08607	13.9
83.10745	0.6
84.02113	0.9
84.05782	1.1
85.02895	7.9
85.06539	3.0
86.09711	1.3
91.03956	2.6
91.05470	36.3
92.06259	1.2
93.07034	53.2
94.07307	0.6
94.07838	1.3
95.04961	16.3
95.08598	43.4
96.08894	0.6
97.02876	6.0
97.06519	8.9
97.10162	14.0
98.07304	5.2
99.04449	1.3
99.08081	1.8
101.06021	0.7
102.28230	0.5
103.05449	0.5
105.01757	0.5
105.04504	0.9
105.07021	25.6
106.07840	1.0
106.62602	0.5
107.04948	5.6
107.08583	30.5
108.05714	0.6
108.09414	0.7
109.02916	0.7
109.06497	4.7
109.10143	23.5
110.07279	0.7
111.04447	2.2
111.08064	5.3
113.05988	1.2
113.09624	1.0
114.66496	0.5
115.05458	1.2
116.04700	12.6
116.68543	0.5
117.05520	0.6
117.07004	10.8
119.08572	21.1
120.09325	0.7
121.06510	3.0
121.10129	25.1
123.08025	5.6
123.11687	6.1
124.08910	0.6
124.99962	0.7
125.09612	14.0
127.03902	0.9
127.07554	0.8
127.11197	1.3
129.05467	29.3
129.06934	5.9
131.08556	18.5
132.09290	0.5
133.06528	0.9
133.09096	1.0
133.10110	18.9
135.08034	3.3
135.11671	16.5
136.12006	0.5
137.09616	3.8
137.13254	1.9
139.11166	1.8
142.07805	1.0
143.07025	6.4
143.08549	1.6
143.10579	1.1
145.10098	11.0
146.10863	0.6
147.08070	1.8
147.11668	12.9
147.12773	0.8
149.09634	3.8
149.13245	7.9
151.11121	1.5
151.14850	0.5
153.09087	1.4
153.12766	1.3
155.08553	1.1
156.31163	0.6
157.08601	13.1
157.10117	7.0
159.11682	7.9
161.09593	0.7
161.13234	7.1
163.11140	4.3
163.14796	3.1
165.12781	2.3
167.07057	0.6
169.10098	1.8
171.06569	1.2
171.10155	4.1
171.11697	2.0
173.09627	1.6
173.11703	2.0
173.13257	5.3
175.11150	4.1
175.14806	2.6
177.12683	0.7
177.16389	1.0
181.12189	1.2
183.11632	0.7
184.07314	4.6
185.08029	0.6
185.11726	1.7
185.13286	1.4
187.14761	3.5
189.11218	7.1
189.12718	1.0
191.10654	1.6
191.14235	0.8
193.12221	9.0
194.12784	0.7
195.11642	0.6
195.13599	0.7
197.13321	0.9
199.11444	0.8
199.13284	4.6
199.14868	1.0
200.14066	1.8
201.16360	1.7
209.11722	2.7
210.12570	1.5
211.13219	5.8
211.14943	0.6
213.16530	0.8
217.14209	0.9
227.12749	10.3
229.14360	2.7
229.71336	0.8
231.21069	0.6
233.18987	0.6
233.22557	0.8
241.19504	1.3
243.21040	4.2
249.14854	0.9
255.15802	1.3
259.20535	2.6
261.22137	13.7
262.22433	0.6
267.15891	8.0
268.16336	1.6
269.17038	0.6
271.20743	0.6
273.21921	0.7
275.20071	1.0
277.21613	5.0
281.17395	0.7
283.15332	6.4
285.16995	2.4
287.23416	0.6
291.19247	0.6
297.22253	0.8
301.16428	73.9
302.16849	1.0
313.21600	0.7
315.23114	2.2
317.24765	3.3
333.24118	1.3
335.25766	100.0
336.26062	4.2
351.25357	1.9
389.26682	1.0
451.31619	0.7
469.33395	0.8
487.34073	0.8
489.35828	1.3
503.37152	0.9
525.35535	1.8
527.37201	6.0
543.36719	7.8
544.37512	1.3
545.38501	2.6
561.37793	96.6
562.38379	5.4
579.38635	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.01867	5.2
55.05505	18.4
57.03432	13.6
57.07076	3.1
61.02922	4.0
65.03946	3.3
67.05499	65.5
68.05814	0.6
69.03423	4.7
69.07061	27.4
70.73607	1.9
71.01346	1.0
71.04996	6.0
71.08611	0.9
73.02901	1.7
78.58791	0.6
79.05485	44.7
80.05822	0.6
81.03409	13.0
81.03846	0.9
81.07048	84.5
82.07387	1.1
83.04977	10.9
83.08131	1.3
83.08611	19.6
85.02898	7.4
85.06529	5.1
86.09699	3.2
87.04472	0.8
91.03930	1.8
91.05470	37.2
93.07034	59.4
94.07347	1.2
95.04956	12.8
95.08598	29.5
97.02869	4.1
97.06518	14.5
97.10150	5.5
99.04454	1.9
99.08104	3.6
101.54132	0.7
103.05486	1.0
105.04498	0.6
105.07021	26.2
107.04945	6.6
107.08585	36.7
108.08937	0.7
109.02885	2.0
109.06514	5.4
109.10148	7.9
111.04423	1.4
111.08079	7.3
111.11718	0.7
113.06026	0.7
113.09630	1.4
115.05466	1.2
117.07008	13.3
119.08566	18.2
121.06492	2.9
121.10129	20.7
123.08095	3.1
123.11697	4.9
125.00022	0.9
125.09614	4.3
127.03912	1.9
128.01680	0.6
128.06207	0.8
129.05472	1.4
129.06996	5.1
130.07805	0.9
131.08565	17.9
132.08861	0.6
133.06438	1.3
133.09105	1.2
133.10115	22.5
134.10414	1.1
135.08076	4.2
135.11679	16.1
135.12704	1.0
137.07092	0.6
137.09604	2.2
137.13269	0.7
139.07541	0.7
139.11140	1.2
141.06996	1.1
142.07776	1.0
143.08531	3.9
145.04980	0.8
145.06493	0.6
145.10101	10.1
147.08025	0.9
147.11678	11.5
148.12000	0.6
149.09616	7.9
149.13246	20.4
151.11116	3.1
155.08589	1.2
157.10144	4.8
159.11676	15.5
161.13260	4.1
162.13530	0.8
163.11128	4.4
163.14952	0.6
165.12788	1.6
167.14241	1.1
169.10150	1.6
171.10324	0.7
171.11671	2.5
173.04434	2.2
173.13210	4.2
175.11197	2.4
175.14813	1.2
177.12730	6.7
179.14346	1.8
181.12238	0.9
183.11617	1.4
184.07346	5.6
185.13197	1.5
187.11171	1.0
187.14793	1.1
189.11218	1.6
193.12225	6.2
195.13789	13.4
197.13274	1.2
199.14886	1.3
211.11263	1.1
211.13234	9.7
211.14996	0.9
212.34839	0.6
213.14845	2.3
215.10922	0.6
217.15804	1.0
227.12740	7.5
229.14194	1.0
229.19611	1.2
239.17906	2.1
241.19568	1.1
247.20621	1.7
251.16418	2.7
253.14388	1.7
253.17709	0.7
255.15836	5.3
257.18991	6.1
259.20551	4.1
260.20975	1.2
267.15857	5.6
269.17450	76.6
270.17828	1.5
273.18658	0.7
275.20032	20.8
276.20413	0.8
277.21603	3.3
283.15448	1.1
285.16971	11.5
291.19675	1.2
293.17923	1.0
293.21143	2.8
311.31271	0.6
331.22638	1.4
333.24319	3.2
334.24512	1.0
337.32510	0.7
339.18231	0.6
349.23706	20.1
351.25378	4.6
365.23328	2.1
366.69598	0.6
367.24704	2.8
413.21695	2.3
423.27292	1.7
439.26981	2.7
445.29431	2.9
447.31332	1.3
449.28970	25.3
451.32397	0.9
461.28848	0.8
463.30499	100.0
464.30670	4.4
479.29556	0.8
485.32755	0.8
503.33841	1.7
515.37054	1.2
525.35663	2.1
543.36743	44.3
544.37079	1.4
560.36029	0.8
561.37781	15.4
562.38104	0.7
583.30634	0.6
589.33893	1.1
607.34583	4.7
632.91742	0.7
687.41058	1.2
705.41821	0.7
759.38953	4.0
784.25757	0.7
786.41541	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.7
55.01859	5.1
55.05508	18.3
57.03434	12.9
57.07071	1.7
61.02908	3.6
61.40266	1.4
65.03928	1.9
67.05500	63.8
69.03402	5.1
69.06728	2.4
69.07065	32.9
69.31380	3.0
69.31709	16.0
69.53365	1.3
71.01331	1.5
71.04976	6.3
73.02898	2.2
79.05489	48.0
81.03417	12.6
81.07049	87.9
83.04973	10.0
83.08614	18.7
85.02879	6.8
85.06509	5.1
86.09696	4.7
87.04515	1.2
91.05474	35.7
93.07035	73.0
95.04961	11.0
95.08599	29.9
97.02891	3.9
97.06519	18.6
97.10172	7.8
99.04464	1.3
99.08090	5.5
105.07029	27.5
107.04974	6.8
107.08585	38.0
109.02863	2.4
109.06508	6.8
109.10155	9.3
111.04410	2.6
111.08064	8.8
115.05463	1.7
117.07013	12.8
119.07824	1.4
119.08575	20.1
120.95285	1.4
121.06499	3.6
121.10136	23.8
121.20998	1.4
123.08025	3.9
123.11685	3.9
125.09614	5.1
127.03899	3.7
128.06122	1.7
129.05405	2.4
129.06996	6.1
131.08553	19.1
133.09166	1.3
133.10118	22.4
135.08023	3.9
135.11691	14.5
137.09592	2.6
139.11205	2.0
143.08508	3.1
145.10112	14.5
147.08032	3.1
147.11703	9.7
149.09599	8.3
149.13254	31.5
151.11183	3.2
155.08591	1.6
157.10098	4.1
159.11685	19.1
161.13239	4.0
163.11165	5.9
165.12709	2.7
169.10133	1.5
171.11636	2.9
173.04520	2.2
173.13248	5.1
175.11201	1.8
177.12723	5.8
179.14328	1.8
183.11690	2.9
184.07309	14.1
187.11305	1.8
189.11198	2.4
193.12242	3.0
195.13792	17.3
199.14987	2.9
199.16869	3.2
211.13214	3.8
212.14841	1.4
227.12836	7.2
227.64716	1.4
255.15823	3.9
257.19049	7.1
259.20572	5.2
267.15918	2.8
269.17459	100.0
270.17776	2.9
275.20044	23.9
285.17001	6.8
293.21054	2.5
311.55832	1.4
333.24097	2.8
335.25711	2.1
349.19824	1.9
349.23706	18.5
367.24603	2.3
423.27267	3.3
439.26517	2.5
445.29556	2.8
449.28906	27.0
451.31561	2.1
463.30527	92.9
464.30759	5.4
515.37085	2.2
525.35541	3.9
543.36713	51.5
561.37500	14.9
607.34845	3.2
759.38043	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2176
Annotation	Quercetin 3-rhamnosyl-(1->2)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03939	0.3
55.01871	0.3
55.05507	0.5
57.03430	2.1
59.04996	0.1
61.02922	0.5
65.03938	0.2
67.05489	0.2
68.99804	0.3
69.03072	0.2
69.03421	1.8
70.06570	0.1
71.01362	0.2
71.04985	12.3
71.59423	0.1
71.59756	0.1
71.91361	0.1
72.05311	0.1
73.02914	1.2
75.04468	0.6
79.05501	0.1
81.03408	0.8
83.04974	3.1
85.02895	18.4
87.04487	0.6
91.03941	0.1
93.03390	0.2
95.04976	0.5
97.02877	1.1
97.06522	0.2
99.04446	0.9
100.14093	0.1
101.05978	0.2
103.03890	0.1
109.02837	0.7
109.06536	0.1
111.00800	0.9
111.04434	2.1
113.06008	0.3
117.05475	0.6
121.02856	0.9
121.06489	0.1
123.04426	0.3
127.03896	1.2
129.05467	4.8
131.04877	0.1
135.04401	0.2
137.02319	2.0
139.03905	0.2
143.04854	0.1
145.04926	0.7
145.06564	0.2
147.06512	2.0
149.02312	0.4
151.03920	0.2
153.00581	0.1
153.01802	2.3
153.02985	0.2
153.05432	0.9
157.04967	0.3
159.06444	0.1
161.05965	0.2
163.03940	0.4
163.05995	0.6
165.01819	1.4
165.05455	0.1
166.02690	0.2
171.06538	0.3
173.06003	0.2
179.03342	0.1
183.02893	0.7
183.04337	0.2
183.06494	0.1
187.03946	0.2
191.03288	0.1
195.02914	0.2
201.05453	0.9
201.07539	0.3
205.04939	0.1
207.02936	0.1
213.05589	0.2
213.07646	0.1
219.02966	0.2
219.06502	0.2
229.04939	2.7
230.05211	0.1
237.07527	0.1
239.09116	1.0
247.06049	0.7
255.08635	0.1
257.04431	2.1
257.10184	0.4
274.04691	0.6
275.05530	0.1
275.11337	0.4
277.03522	0.1
285.03964	0.8
286.04495	0.1
287.05542	0.2
293.12274	0.2
303.04953	100.0
304.05289	2.3
315.04852	0.4
327.05035	0.1
341.06714	0.1
345.05991	0.7
369.06161	0.2
395.07724	0.1
413.08670	0.3
431.09644	0.2
449.10760	1.2
465.10281	2.6
487.61676	0.1
627.82550	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	756.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.01874	3.8
55.05264	1.3
55.05508	18.2
57.03435	7.6
57.07061	1.2
60.08146	1.8
61.02908	2.4
65.03918	1.5
67.05501	42.5
67.78750	0.8
69.03433	5.3
69.07066	26.8
69.33115	8.8
71.04998	4.1
73.02928	0.9
79.04783	0.9
79.05491	29.0
81.03417	6.6
81.07053	53.3
82.07388	1.0
83.00007	0.8
83.04984	5.7
83.08612	12.4
83.13354	0.8
85.02892	2.7
85.06532	3.7
86.09705	5.0
91.03944	1.3
91.05473	25.2
93.07036	34.6
94.04208	0.9
94.07377	1.0
95.01306	1.1
95.04961	7.3
95.08047	1.4
95.08604	17.0
97.02887	8.1
97.06522	6.5
97.10161	9.7
99.08074	1.0
105.07024	15.0
107.04952	5.7
107.08589	21.8
108.08952	1.0
109.06493	3.7
109.10148	8.1
111.04452	1.1
111.08078	3.5
113.05960	1.2
115.05447	1.1
117.06985	8.4
119.04922	1.2
119.08563	9.8
121.06473	3.8
121.10135	9.1
123.08064	3.2
123.11696	3.4
124.99995	3.6
125.09621	6.2
129.06975	3.0
131.08554	10.3
133.06451	2.4
133.10117	14.8
135.08055	3.8
135.11684	7.1
137.09607	1.0
143.08516	2.2
145.10124	5.7
147.08017	4.1
147.11670	4.6
149.09615	2.3
149.12180	1.0
149.13261	10.1
151.11180	3.7
157.10129	2.5
159.11693	5.9
161.09592	2.2
161.13222	1.6
163.11194	2.5
165.09106	0.8
169.10114	0.8
169.12282	1.5
171.10246	0.8
171.11720	1.7
173.13391	0.9
175.11183	2.0
177.12720	3.4
184.07321	18.0
185.13246	1.2
189.11195	2.2
195.13795	5.4
205.12123	1.5
213.14766	1.1
223.13260	13.2
227.12794	3.3
249.14781	1.8
253.14333	6.3
255.17386	0.9
267.15750	0.8
269.17468	49.0
270.17755	1.9
273.18457	11.7
283.15271	2.8
291.19525	66.1
292.19830	2.9
347.22052	1.5
351.25006	1.7
365.23218	31.9
366.23666	1.5
370.11697	1.0
439.26740	0.9
457.98758	0.8
462.77676	0.8
465.28256	1.6
479.29892	3.2
541.35376	3.9
559.36273	100.0
560.36816	6.2
577.37286	0.9
788.84814	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.1
55.01621	0.8
55.01869	11.8
55.05509	14.9
57.03436	6.8
57.07063	0.7
59.04997	1.2
61.02921	0.9
65.03929	2.4
66.08755	0.5
67.05501	28.2
69.03422	2.4
69.07063	26.3
71.01335	0.6
71.04995	2.9
71.33585	1.3
73.02911	0.7
73.06577	0.5
79.05486	30.9
81.03414	27.4
81.07050	42.9
82.05169	0.6
83.04974	10.7
83.08612	12.8
85.02897	11.6
85.06531	2.3
85.33328	0.6
86.09693	1.4
91.05473	49.4
92.05811	0.8
93.07036	28.3
95.01330	7.8
95.04961	15.8
95.08598	22.8
97.02880	2.3
97.06522	19.1
97.10159	3.2
99.04459	0.7
99.08085	0.9
101.06055	0.6
103.05473	1.7
105.07022	65.5
106.07363	1.3
107.04951	13.9
107.08583	13.4
109.06514	4.5
109.10143	6.6
111.04452	1.0
111.08056	5.6
113.06010	1.5
113.09640	1.0
115.05439	1.3
116.06226	0.7
116.93020	0.6
117.07011	10.1
117.21903	0.5
119.08572	37.3
121.06514	3.3
121.10139	9.0
122.10429	0.6
123.04429	2.0
123.08064	3.1
123.11711	2.3
125.00018	1.0
125.05900	0.7
125.09637	2.0
127.07585	0.9
129.06990	6.7
130.07747	0.8
131.08559	20.5
131.09506	1.2
133.06502	2.2
133.10117	35.6
134.10449	0.7
135.08060	2.5
135.11668	6.1
137.09599	2.0
139.07562	1.3
141.06989	1.6
142.07762	1.4
143.08580	2.5
145.06468	2.0
145.10109	12.1
147.08060	1.2
147.11670	13.8
147.12772	0.9
149.09619	7.6
149.13258	2.4
151.11197	1.5
155.08554	1.7
157.10120	7.5
159.08051	1.2
159.11684	8.8
161.13248	4.0
163.11186	4.1
165.09073	1.3
165.12762	1.4
169.10100	2.7
171.11690	1.8
173.13268	2.8
175.11205	6.2
177.12784	2.7
179.14301	11.3
183.11711	1.9
184.07326	2.6
185.13196	0.8
187.11212	2.6
189.12845	0.7
193.12228	12.3
195.13731	1.0
197.13287	1.2
205.12375	1.1
211.13254	11.7
215.17955	0.7
219.13812	0.5
219.17572	1.6
229.19469	1.2
239.18005	1.4
241.14282	0.7
241.64081	0.5
247.20636	1.9
257.19003	3.1
267.15887	13.7
268.16235	0.5
275.20038	53.9
276.20453	1.7
279.15918	2.1
285.16931	21.1
293.21140	2.0
349.23709	29.8
350.24188	0.7
373.04391	0.6
375.02136	0.7
541.35217	45.5
542.35522	2.8
559.36255	100.0
560.36761	4.3
577.36975	1.5
601.30841	0.6
703.39850	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01618	0.9
55.01869	13.4
55.05508	17.0
57.03182	0.9
57.03434	10.6
57.07072	1.2
57.57759	0.5
59.04997	0.8
61.02914	0.9
62.06236	0.5
65.03930	2.3
67.05499	34.6
68.05820	0.8
69.03432	3.8
69.07063	26.6
69.88275	1.5
69.88686	1.5
71.04990	4.5
73.02909	1.1
73.06539	0.7
79.05487	32.7
81.03413	40.9
81.07053	50.3
83.04974	11.7
83.08612	16.9
83.09110	0.9
85.02901	17.5
85.06531	2.2
86.09690	1.0
91.05473	51.4
92.05820	0.9
93.07037	31.6
94.07349	0.7
95.01311	6.9
95.04359	1.1
95.04965	20.7
95.08601	24.6
97.02892	3.7
97.06525	21.7
97.07034	0.4
97.10169	3.2
99.08048	1.3
103.05460	1.6
105.07023	69.7
106.07349	1.4
107.04944	16.1
107.08587	14.1
109.06516	6.2
109.10136	7.0
111.04443	2.0
111.08080	7.2
113.05998	2.2
113.09663	1.0
113.86461	0.5
115.05479	2.1
117.07009	10.2
119.04915	0.8
119.08574	37.3
121.06524	3.0
121.10136	8.7
123.04431	2.1
123.08073	4.0
123.11692	2.4
124.40161	0.5
125.00019	0.7
125.05927	0.8
125.09647	1.9
127.03989	0.7
127.07562	1.0
128.06114	0.9
129.05505	1.2
129.06996	8.3
130.07790	0.5
131.08557	22.1
131.09511	1.2
133.06490	2.5
133.10121	36.4
134.10490	0.7
135.08057	2.2
135.11691	5.5
137.09589	2.5
139.07484	1.2
141.06998	1.6
142.07788	2.3
143.08563	2.4
145.06499	1.0
145.10115	12.3
145.11266	0.6
147.08052	2.4
147.11674	21.8
148.12010	0.7
149.09615	8.7
149.13246	3.4
151.11185	2.4
155.08545	1.6
157.10115	8.9
159.11702	8.5
161.09554	0.8
161.13235	4.4
163.11160	4.4
165.09113	1.2
165.12701	2.7
169.10149	1.2
171.11693	1.8
173.13322	2.1
175.11171	9.0
175.14876	0.6
177.12752	3.1
179.14302	9.9
183.11662	1.6
184.07407	2.0
187.11163	3.0
187.14809	1.1
189.12779	0.6
193.12233	17.9
194.54468	0.6
197.13242	1.4
205.12248	1.0
211.13257	22.5
212.13632	0.9
219.13824	0.7
227.12831	0.7
229.19476	0.8
239.17920	0.9
247.20638	1.8
249.14780	0.6
257.18927	4.5
259.20660	0.8
261.33990	0.6
267.15909	32.5
268.16324	1.0
275.20044	60.2
276.20450	1.9
279.15924	2.7
285.16943	66.9
286.17395	1.6
293.21072	2.7
301.16599	2.0
333.24069	1.1
349.23721	35.3
350.23972	0.9
452.41025	0.5
463.81015	0.7
468.33649	0.6
538.45111	0.7
541.35229	66.7
542.35413	3.2
559.36279	100.0
560.36578	6.4
577.36823	2.7
725.13275	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03894	1.6
53.64600	0.5
55.01818	3.1
55.05455	12.8
55.05747	1.0
56.72375	0.5
57.03378	6.5
59.04955	1.1
61.02893	0.7
65.03886	0.7
65.84608	0.5
67.05496	15.9
69.03429	2.6
69.07061	4.7
69.62004	0.5
71.04984	3.3
79.05487	18.0
79.05912	0.8
81.03409	41.1
81.03855	1.5
81.07051	15.9
83.04977	3.7
83.08610	15.3
85.02847	1.3
85.06474	1.7
91.05467	13.5
93.07034	11.8
95.04961	19.1
95.08586	7.5
97.02814	2.2
97.06508	3.0
97.10160	12.7
99.08023	0.7
103.05421	0.6
105.04428	0.5
105.07025	9.5
107.04943	12.4
107.08587	10.1
109.06504	9.5
109.10143	5.5
111.04366	2.0
111.08075	4.6
113.05956	1.3
115.05384	0.9
117.07007	4.5
119.04885	1.5
119.08568	10.8
121.06494	8.0
121.10136	7.5
121.75814	0.5
123.04358	2.0
123.08056	4.1
123.11614	1.8
125.09615	11.7
128.06213	0.9
129.06987	6.7
131.04865	1.4
131.08556	8.6
133.06487	3.9
133.10130	5.0
135.08046	4.4
135.11609	1.8
137.05928	0.7
137.09564	1.4
139.03873	0.7
139.11111	0.7
141.06902	1.5
142.07719	1.2
143.08568	2.5
145.06487	4.6
145.10104	3.8
147.04324	1.4
147.08028	4.7
147.11656	5.9
149.05885	0.6
149.09619	4.6
149.13115	0.8
153.09081	2.7
153.12575	0.7
155.08490	2.1
157.06403	1.5
157.10101	7.0
159.08009	2.7
159.11597	2.3
161.05940	1.2
161.09555	1.8
163.11168	3.7
165.12732	0.9
167.08444	0.7
167.10655	1.1
169.06444	0.6
169.10025	1.9
171.07942	1.8
171.10175	0.8
171.11613	2.1
173.05914	0.6
173.09511	1.3
173.11784	0.7
173.13231	1.4
175.11179	6.1
177.05368	0.6
177.12666	1.2
181.10045	0.6
183.11713	0.7
184.07335	0.6
185.09537	1.3
185.13214	1.3
187.11087	1.6
187.14748	0.9
189.09488	0.8
189.11119	6.6
189.12750	1.8
191.14291	1.2
193.12228	15.4
195.11606	0.6
197.09560	1.1
197.13208	1.7
197.15268	0.6
199.11136	2.0
201.12697	0.8
203.14246	1.1
205.12120	1.6
207.13834	0.5
209.13277	1.3
211.11163	0.9
211.13217	1.8
213.12674	1.9
215.14209	2.8
217.12196	1.1
219.13721	3.3
223.13152	1.8
225.12717	1.0
225.14804	0.6
227.12715	1.6
227.14554	0.9
231.13785	0.9
233.15332	4.9
235.13219	1.4
237.12628	1.3
237.14740	0.9
241.12054	0.7
241.14258	1.3
245.15303	0.9
249.14792	1.2
255.13715	1.9
257.15381	1.1
259.13226	1.3
267.15903	33.9
268.16135	0.8
273.14722	6.6
273.17084	0.7
275.16394	0.7
287.16342	0.8
289.17801	0.6
291.15750	0.7
293.17471	1.2
299.16257	0.7
321.21985	1.3
331.20520	0.8
333.99576	0.5
339.23044	2.6
349.21573	5.1
357.24261	2.5
367.22598	13.2
368.22668	0.6
385.23679	22.2
403.24738	7.4
405.23663	0.7
441.26328	9.4
459.27377	100.0
460.27844	3.2
477.28439	93.4
478.29059	2.7
491.30032	13.4
501.28653	2.1
509.31085	5.5
541.33942	1.3
543.28839	0.7
567.29724	2.1
585.30560	0.7
660.15521	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.4
55.01866	4.0
55.05505	26.7
57.03437	12.9
57.07069	3.4
65.03932	6.2
67.05499	75.0
69.07062	19.4
71.04977	5.1
71.60456	4.4
72.18357	2.1
77.03876	2.5
79.05485	97.3
80.05836	2.3
81.03416	10.7
81.07049	73.3
83.04984	10.5
83.08597	10.9
85.02934	2.2
85.06527	6.4
86.26402	2.2
91.05470	85.3
93.07034	100.0
95.04948	30.1
95.08595	44.2
95.09159	3.5
97.02879	2.7
97.06544	5.7
97.10178	6.1
99.08089	3.4
103.05457	3.7
105.04568	2.6
105.07018	94.6
107.04947	6.3
107.08590	38.6
109.06503	10.2
109.10146	14.7
111.08051	4.1
114.86327	2.1
115.05444	2.6
117.07011	22.4
119.08562	62.4
121.06499	4.6
121.10136	22.1
123.08050	6.0
125.00042	2.8
125.09625	2.4
128.06212	5.3
129.07014	27.6
130.07784	2.3
131.08528	24.4
133.10117	45.2
135.08133	3.7
135.11667	16.7
141.07018	2.4
143.08531	18.3
145.10118	24.2
147.08005	3.9
147.11659	73.2
149.09610	2.5
149.13223	8.4
153.39511	2.1
157.10144	10.0
158.57953	2.4
159.11685	17.6
161.09660	6.2
161.13225	30.9
163.11186	2.9
169.10130	4.1
171.11691	30.9
173.13235	8.6
175.13538	2.8
175.14790	17.1
184.07321	6.8
185.13271	9.8
187.11121	3.8
187.14844	3.4
189.12733	8.8
199.14786	7.1
207.13753	21.6
213.16389	2.8
231.21068	4.6
241.14342	2.8
241.19519	30.2
257.19055	4.4
259.20572	66.9
279.15897	20.0
281.04401	2.3
281.17432	76.5
315.23233	7.7
333.24188	52.5
429.31689	2.4
447.32498	6.8
465.33612	8.9
483.34680	5.5
521.35748	5.4
529.39215	2.8
539.37311	80.0
540.37164	6.1
557.38318	30.6
662.44403	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	754.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.0
55.01865	9.4
55.05511	25.5
57.03428	17.9
57.07057	1.6
59.04996	4.0
61.02924	2.2
63.85852	1.1
65.03928	3.6
67.05502	56.5
69.03428	18.9
69.07065	12.9
70.06575	2.0
71.01334	2.2
71.04995	13.1
73.02906	2.2
74.18340	1.1
79.05489	40.3
81.03413	100.0
81.07050	44.0
82.03741	1.5
82.04186	2.0
83.01332	2.1
83.04968	23.7
83.08614	24.9
85.02898	24.4
85.03371	2.3
85.06540	3.9
87.04475	1.8
91.05477	38.5
92.68350	1.3
93.07037	29.9
94.04205	2.5
94.07809	2.2
95.04967	38.7
95.08607	19.7
97.02897	18.1
97.06528	11.5
97.10168	12.5
98.03683	10.4
98.07306	3.2
99.04466	6.5
99.08068	3.9
103.03895	1.3
105.07018	29.6
107.04947	18.4
107.08585	19.7
109.02891	9.4
109.06499	9.6
109.10149	20.9
110.07304	5.4
111.04444	9.5
111.08076	12.3
113.05988	4.9
115.05448	2.6
116.04719	2.4
117.07014	7.8
119.04950	2.1
119.08572	23.9
121.06503	6.9
121.10133	13.0
123.04413	12.4
123.08058	8.6
123.11689	3.9
124.04767	1.4
125.05988	3.5
125.09627	14.7
126.37325	1.1
127.03910	7.2
128.33401	1.3
129.05486	8.5
129.07001	14.6
131.08566	16.4
133.06493	3.0
133.10127	16.0
135.04425	3.3
135.08052	3.7
135.11682	8.7
137.05974	2.5
137.09604	4.5
139.03891	3.4
142.07808	2.7
143.08572	1.5
145.06410	1.8
145.10139	10.3
147.04407	3.9
147.08018	5.3
147.11682	18.5
148.04596	1.3
149.09581	7.4
151.03856	1.5
151.11029	1.5
153.01840	1.9
153.05496	2.8
153.09146	4.5
153.12727	5.4
155.10556	1.6
157.08728	3.1
157.10126	14.5
161.09636	1.7
163.07556	1.5
163.11197	13.0
165.05461	4.4
165.12749	4.7
165.21828	1.1
166.05807	1.5
167.07019	1.3
171.06548	2.2
171.10135	2.6
171.11662	1.3
173.04451	19.8
173.09569	2.4
173.11801	7.5
173.13110	2.0
175.11183	16.1
177.05473	2.3
179.07004	1.4
181.12219	5.0
189.11284	5.2
191.07088	1.5
191.10660	6.7
193.12236	46.4
196.20415	1.3
199.05940	6.4
199.13261	7.7
209.11720	10.5
211.13278	61.3
224.14047	3.6
227.12750	14.8
229.14291	8.2
247.13309	3.0
249.14703	1.5
265.14301	3.5
267.15884	26.4
267.18555	1.8
271.13376	1.4
277.26151	1.1
283.15408	12.8
285.16983	27.0
298.17896	2.5
301.16605	8.1
308.61896	1.5
315.17911	1.9
317.10272	1.8
318.10333	1.5
339.18298	2.1
348.49057	1.2
409.25806	2.5
411.20294	2.8
421.25937	8.6
427.26953	4.5
429.20984	1.6
439.26929	51.9
445.20609	4.5
447.27643	1.7
457.25455	1.4
459.27155	2.0
475.26974	8.9
476.27551	2.4
477.28391	3.0
493.27881	16.7
494.28564	3.2
507.29510	4.0
508.30096	3.9
511.28860	13.5
621.32996	2.1
637.31525	1.8
638.32635	1.9
639.33600	6.3
655.33063	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	752.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01872	9.0
55.05511	9.8
57.03426	1.9
61.02916	1.0
67.05502	23.5
69.03425	1.1
69.07060	15.6
71.04983	1.2
71.60255	1.4
71.60664	1.0
79.05485	26.1
79.06698	1.2
81.03405	4.6
81.07047	26.7
83.04962	5.4
83.08603	4.2
91.05472	27.5
93.07039	21.9
95.01313	3.9
95.04970	7.9
95.08598	16.4
96.01054	1.0
97.02909	0.9
97.06516	17.5
97.10139	1.5
99.08150	1.3
105.04517	0.9
105.07024	35.1
107.04944	8.3
107.08582	10.9
109.06527	2.0
109.10160	3.8
113.20128	1.1
117.07004	6.1
119.08571	20.1
121.06486	1.9
121.10149	4.0
123.04429	1.4
123.08073	3.1
129.07008	5.4
131.08551	7.2
133.10123	17.8
135.08095	1.3
135.11681	3.1
137.09628	1.5
141.07036	1.0
143.08533	3.1
145.06474	1.7
145.10127	7.5
147.11673	11.7
149.09615	4.0
149.13254	1.4
158.30354	0.9
159.11679	4.2
161.09589	1.2
161.13254	4.6
163.11218	2.3
165.09154	1.1
171.10460	1.0
171.11661	6.1
173.13293	1.5
177.12756	1.6
179.14293	5.6
187.11186	1.7
189.12679	1.8
207.13780	3.3
247.20610	1.2
257.19000	1.8
263.16428	1.2
275.20044	32.8
279.15948	3.3
281.17456	25.1
293.21194	1.7
349.23712	13.3
505.59717	1.0
537.36194	1.7
555.36749	100.0
556.36896	4.5
573.37512	1.9
784.29529	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
55.05506	1.4
55.20594	0.2
57.05805	0.3
63.71618	0.2
65.03948	0.2
68.05022	0.5
69.07069	2.0
70.06586	100.0
70.94268	0.3
70.94609	0.5
71.06915	0.3
72.08150	15.5
72.49993	0.2
74.56988	0.2
81.07099	0.2
84.08122	0.4
86.09698	32.0
91.05472	5.9
91.06004	0.4
93.07037	0.4
95.05000	0.3
95.53655	0.2
97.07639	2.1
98.06047	5.9
103.05466	0.9
105.03380	0.2
105.07028	0.3
106.06528	0.5
107.04976	0.3
109.07601	0.6
112.07597	0.7
112.10078	0.2
115.05479	0.3
115.08675	1.2
117.05757	0.3
118.06528	14.4
119.04948	1.8
119.07338	0.7
120.08096	8.0
121.08425	0.2
123.04424	2.8
125.07114	2.7
126.05495	1.6
130.06506	0.4
131.04929	0.9
132.08104	0.4
136.07567	9.9
137.06058	0.4
137.07069	3.2
137.08099	0.2
139.03891	0.3
140.14362	0.8
145.10181	0.2
146.05994	50.0
147.04404	1.5
147.06345	0.5
148.07570	1.1
152.08160	0.4
153.01811	0.5
153.08989	1.5
153.13788	0.3
154.15862	0.5
157.09779	0.4
160.11201	0.6
162.05513	0.3
165.05470	5.8
165.13924	0.7
166.09854	0.3
166.12329	0.3
167.07076	0.2
167.08530	0.2
167.15454	0.5
172.07661	0.3
172.11211	2.9
174.05458	1.7
174.12767	3.0
175.08632	0.3
181.09741	0.8
181.13396	0.7
182.08115	11.9
183.14917	7.9
185.16461	3.5
186.12746	1.4
187.12270	0.4
188.14345	2.5
193.13419	0.7
194.14151	1.0
195.07968	0.2
198.09174	0.3
199.12300	1.0
203.15453	0.8
204.13828	0.6
211.14391	13.1
213.15919	2.3
214.12285	0.6
215.11855	0.7
216.12616	0.5
217.13330	5.5
223.07545	0.5
225.10269	1.4
231.14911	11.7
232.13292	0.3
236.10765	0.8
239.13910	0.8
243.11281	8.8
258.30756	0.2
259.14398	42.9
260.14709	0.8
265.08612	0.4
270.11191	1.3
273.19638	0.6
281.14920	2.8
282.11163	1.1
287.13922	0.8
291.13553	0.2
299.13995	0.4
310.19244	0.5
312.20630	2.0
328.20306	0.5
330.21805	1.8
338.18680	1.5
346.74005	0.2
356.19623	10.7
357.20175	0.3
358.21188	3.1
369.18387	0.4
381.18637	0.3
386.20798	1.1
394.23465	0.6
420.21332	1.5
440.22067	0.4
441.28766	0.7
455.26639	0.5
469.28079	2.9
494.26483	0.5
537.27057	0.6
539.28510	4.5
539.63043	0.3
567.27985	0.4
568.34802	1.0
622.35950	0.4
636.33942	6.4
637.34137	0.3
646.32684	0.3
650.35785	0.4
680.36316	0.3
721.42902	1.5
731.41785	0.3
749.42218	27.5
750.42578	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.6
55.01855	0.7
55.05494	1.7
57.03434	1.2
60.08155	1.1
60.53933	0.4
60.57066	0.5
60.97387	0.4
61.02917	3.5
67.05505	5.5
69.03443	2.6
69.03778	0.4
69.07059	1.7
71.04991	0.7
71.07379	0.5
71.59544	0.7
71.59973	0.5
73.02925	2.4
79.05489	4.1
81.03406	1.7
81.07052	6.6
83.08611	1.3
85.02904	4.2
86.09715	4.7
87.10030	0.8
90.63564	0.4
91.03953	1.8
91.05468	3.3
93.07034	6.0
95.04974	1.1
95.08595	2.6
97.02888	3.4
97.06506	1.3
98.01227	0.4
98.98455	0.6
99.04461	0.9
101.02372	1.4
105.07047	2.7
107.08578	2.6
109.02866	0.8
109.06486	0.6
109.10140	0.7
111.08092	0.5
113.91875	0.4
117.07037	1.3
119.08576	1.5
121.10108	2.3
124.99988	3.5
127.03921	1.7
129.05482	0.6
131.08585	1.3
133.10144	1.7
135.11688	1.6
145.10063	0.8
147.11719	1.0
149.13210	2.1
150.07385	0.4
157.24246	0.4
159.11685	1.3
161.13409	0.6
173.13266	0.5
184.07338	17.5
185.04225	1.0
185.07671	2.4
235.13126	1.3
241.06880	0.5
243.08440	3.0
291.15771	0.6
301.08975	1.4
315.10519	0.7
373.11142	0.7
385.18402	0.7
398.61566	0.5
443.19104	0.8
453.20911	11.9
465.20776	0.7
525.23462	1.3
535.28741	5.9
553.27118	0.5
567.28320	0.6
581.29730	0.5
609.32672	0.5
747.42834	100.0
748.43170	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	747.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01852	0.6
55.05508	1.4
57.03433	2.3
57.07062	0.1
58.90514	0.1
59.60536	0.1
61.02919	5.7
65.03917	0.3
67.05499	4.9
69.03416	3.2
69.07058	1.1
71.01349	0.4
71.04981	0.7
73.02908	4.1
79.05489	3.3
81.03409	3.0
81.07049	5.0
83.08611	1.1
84.93573	0.2
85.02896	7.0
87.04471	0.5
88.92912	0.2
91.03942	3.7
91.05466	2.6
93.07037	3.6
95.04975	1.0
95.08595	3.9
97.02880	5.1
97.06521	0.4
97.10184	0.2
99.00874	0.2
99.04461	1.0
101.02372	1.6
103.03933	0.4
105.07018	1.7
107.04929	0.3
107.08578	1.4
107.09741	0.2
109.02854	0.8
109.06499	0.4
109.10136	1.5
111.08086	0.3
115.03929	0.5
117.07007	0.5
119.08575	1.2
121.10150	1.7
123.08077	0.2
123.11712	0.5
127.03886	1.6
129.05551	0.2
129.06990	0.4
131.08569	1.0
133.10112	1.0
135.11620	0.9
145.04936	0.4
145.10123	0.4
147.11676	0.8
149.09552	0.4
149.13280	0.6
157.10139	0.4
159.11722	0.3
161.13263	0.3
163.14780	0.2
173.13210	0.3
175.11218	0.5
184.07333	0.5
185.04216	0.7
189.21916	0.2
193.12267	0.6
203.05305	0.7
209.47903	0.2
211.13335	0.3
229.71712	0.2
243.08409	2.0
251.12569	1.4
261.22211	0.3
285.17075	0.2
287.40869	0.2
307.15027	0.2
335.25821	0.8
469.20422	4.0
519.29279	7.3
520.29669	0.2
585.37152	0.2
657.38104	0.2
747.42792	100.0
748.43060	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	747.428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.01877	0.7
55.05503	1.3
57.03423	2.3
57.07095	0.3
57.75698	0.3
61.02922	5.9
61.03211	0.5
67.05500	4.3
69.03431	3.6
69.07082	1.4
69.86389	0.7
69.86805	1.1
71.04987	0.7
73.02914	3.9
76.57092	0.3
78.41434	0.3
79.05494	3.4
81.03415	4.1
81.07056	4.5
83.08620	1.5
85.02901	6.8
87.04458	0.7
91.03954	4.0
91.05476	3.3
93.07043	4.0
95.04980	1.2
95.08608	3.2
97.02888	5.0
97.06542	0.6
97.10170	0.3
98.21415	0.5
99.04480	0.9
101.02362	2.3
105.07017	1.8
107.04943	0.4
107.08599	1.1
109.02915	0.9
109.06501	0.4
109.10136	1.4
111.08069	0.7
115.03947	0.4
117.07008	0.3
119.08562	2.3
121.10157	1.5
123.11712	0.3
127.03880	2.1
129.05484	0.4
129.07040	0.6
131.08604	1.1
133.10143	1.6
135.11716	0.6
145.04976	0.5
145.10133	0.6
147.11670	1.6
149.09717	0.3
157.10170	1.2
159.11671	0.6
175.11244	0.7
184.07341	0.9
185.04213	1.0
193.12238	1.6
203.05261	0.5
211.13243	0.4
243.08434	2.4
249.13506	0.3
251.12634	1.2
285.16989	0.4
307.15158	0.5
335.25797	0.8
384.35925	0.3
401.74313	0.3
461.51428	0.3
469.20422	9.2
505.43890	0.3
519.29230	5.1
520.29901	0.3
747.42841	100.0
748.43097	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	745.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41174	0.9
54.82079	0.7
55.05503	2.3
56.05760	0.8
59.04990	1.4
61.94855	0.8
67.05489	3.7
69.03416	3.5
69.07059	3.7
69.53860	6.0
70.06578	1.8
71.04971	1.0
79.05483	1.4
79.28231	0.7
81.07047	5.7
83.04965	3.5
83.08598	3.1
85.02884	2.2
85.06547	1.1
91.05491	1.9
93.07050	1.5
95.04970	1.0
95.08601	11.9
97.02860	1.7
97.22512	0.7
98.21568	0.9
99.08077	0.9
99.23854	0.8
105.07005	2.0
107.04920	0.9
107.08582	7.1
109.06530	5.1
109.10150	39.4
110.10484	1.1
111.08047	1.6
113.09595	1.2
119.08559	10.8
121.10150	4.5
123.04416	1.4
123.08031	4.9
123.11701	4.5
127.03847	1.1
133.10106	8.0
135.11679	37.6
137.05989	1.3
137.09612	7.4
139.03986	1.9
139.11154	0.8
147.04385	1.6
149.13210	2.5
151.11176	3.1
151.14807	5.4
153.01810	5.0
165.16365	1.0
167.07066	1.1
175.14822	14.2
193.15878	23.4
200.18874	0.8
211.16925	100.0
212.17271	2.5
392.19385	2.8
559.19049	1.6
560.19751	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
64.18458	0.7
69.20717	0.7
70.85206	1.4
81.07032	0.7
110.62070	0.6
184.07365	0.9
195.00290	1.6
697.35907	1.1
747.40759	100.0
748.40826	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	745.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01871	0.5
55.05509	1.8
56.56946	0.3
56.72830	0.3
57.03439	2.3
60.08145	1.0
61.02637	0.6
61.02922	6.8
66.02893	0.3
67.05499	6.0
68.05809	0.4
69.03429	4.3
69.07060	1.4
71.01341	0.4
71.04964	0.9
72.55032	0.3
73.02912	4.0
79.05495	4.2
81.03404	1.6
81.07053	6.4
82.07379	0.4
83.08598	0.9
85.02896	5.8
86.09702	4.5
87.04447	0.5
91.03954	3.9
91.05477	2.9
93.07027	6.0
95.04967	1.4
95.08598	4.9
97.02888	4.9
97.06513	0.4
99.04467	0.9
101.02375	2.1
104.10796	0.4
105.07025	1.6
107.08571	3.1
109.02896	1.0
109.10139	2.0
113.06013	0.3
115.03937	0.5
117.07024	0.7
119.08593	1.5
121.10111	2.3
123.11688	0.7
125.00003	3.9
127.03913	1.4
131.08574	0.9
133.10117	1.0
135.11696	3.6
136.83086	0.4
145.10121	1.3
147.11688	0.9
149.09583	0.4
149.13266	0.6
163.11153	1.9
167.08603	0.4
184.07321	17.1
185.04240	0.5
185.07678	2.1
197.17288	0.4
203.05296	0.4
206.36148	0.4
219.09990	0.5
227.12807	1.3
239.15710	0.4
243.08441	2.8
249.10953	13.2
261.22226	0.5
284.84839	0.4
301.66849	0.4
305.13586	1.6
315.03925	0.4
335.25937	1.2
467.18848	5.8
489.76007	0.4
519.29358	9.5
520.29492	0.6
537.14532	0.4
628.88684	0.4
745.41211	100.0
746.41577	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	745.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88046	0.5
53.03952	0.5
55.05501	1.8
57.03432	2.3
61.02923	5.8
67.05505	5.9
69.03423	3.6
69.07064	1.5
69.43545	3.8
71.01366	0.6
71.04985	1.0
73.02905	4.4
79.05482	3.9
81.03426	3.2
81.07053	6.2
83.01348	0.6
83.04977	1.0
83.08614	1.2
85.02905	5.4
86.09722	0.5
91.03951	3.7
91.05465	3.1
93.07037	4.3
95.04974	1.3
95.08591	3.5
97.02882	5.0
97.06554	0.5
99.04459	1.2
101.02383	2.2
103.03965	0.6
105.07020	2.8
107.04947	0.5
107.08607	2.7
107.49580	0.4
109.02883	1.1
109.06530	0.8
109.10122	2.3
111.04454	0.4
111.69753	0.4
113.31036	0.4
117.07045	0.8
119.08565	2.2
121.10152	2.4
123.08086	1.1
123.11736	0.5
127.03905	2.0
131.08569	1.1
133.10127	1.0
135.11708	1.6
144.02489	0.4
145.10138	1.8
147.08083	0.4
147.11723	0.7
149.13290	0.5
163.11197	2.4
173.13348	0.5
184.07381	0.5
185.04169	0.6
193.12212	0.6
203.05402	0.7
211.13388	0.7
243.08395	2.6
249.10959	0.7
285.17117	1.2
286.17471	0.7
335.25937	0.6
337.27472	1.8
338.27829	1.1
432.37906	0.4
467.18826	8.9
519.29028	4.7
547.40320	0.7
548.40118	2.7
646.09692	0.5
720.58386	0.6
745.41235	100.0
746.41620	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	745.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01865	0.5
55.05509	1.5
57.03431	2.2
58.96913	0.2
61.02924	6.6
67.05499	5.6
69.03420	3.6
69.07050	0.8
70.76350	0.4
70.76708	0.6
71.01360	0.5
71.04969	0.5
73.02917	4.1
78.64746	0.3
79.05490	3.9
81.03423	1.9
81.07047	5.4
83.01327	0.4
83.04988	0.5
83.08601	0.5
85.02899	6.7
91.03951	4.3
91.05474	2.5
93.07043	4.4
95.04951	1.1
95.08600	3.2
97.02885	5.4
97.06509	0.3
99.04463	1.4
101.02374	1.7
103.03908	0.5
105.07030	1.7
107.08588	2.6
109.02871	1.0
109.06506	0.4
109.10145	1.7
115.03954	0.5
117.07021	0.8
118.05173	0.2
119.08561	1.6
119.39481	0.3
121.10130	1.7
123.07983	0.5
125.09698	0.3
127.03909	1.9
131.08559	0.8
133.10155	0.4
135.08066	0.4
135.11653	1.5
141.64853	0.3
145.04996	0.4
145.10130	1.1
147.11668	0.4
149.13327	0.6
159.11659	0.6
161.13181	0.4
163.11201	1.0
177.47667	0.3
184.07329	0.4
185.04221	0.4
203.05251	0.5
243.08423	2.2
335.25818	0.9
467.18832	4.0
497.31323	0.5
519.29254	7.3
548.40137	0.6
745.41235	100.0
746.41486	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	745.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	0.7
55.05461	0.8
57.03363	1.3
61.02855	3.3
65.80524	0.5
67.05429	4.2
69.03353	2.4
69.06985	0.7
71.04925	0.5
71.59358	0.8
73.02834	3.2
79.05477	2.3
81.03403	3.4
81.07043	2.2
83.04916	0.9
83.08562	1.1
85.02892	6.3
91.03947	2.7
91.05470	3.4
93.06948	1.7
95.04882	1.5
95.08523	1.6
97.02884	3.7
99.04391	0.9
101.02265	1.9
101.91821	0.4
103.03884	0.5
103.05396	0.7
105.06961	1.6
107.04878	0.5
107.08503	0.8
109.02819	0.9
109.06440	0.7
109.10146	5.7
111.04359	0.8
111.07974	0.8
111.63090	0.4
117.06982	0.5
119.08551	2.0
119.72956	0.4
121.10073	0.9
123.04413	0.7
125.09572	0.6
127.03900	2.0
131.04779	0.5
131.08443	1.3
133.10039	1.3
135.11580	0.4
137.05888	0.8
137.09540	0.5
139.03790	0.5
145.04852	0.7
145.10046	0.5
147.04335	1.0
147.07944	0.5
147.11607	0.6
153.01785	1.1
157.10014	0.9
158.92601	0.5
161.05939	0.5
163.11147	0.4
167.06944	0.8
173.11760	2.0
173.12975	0.5
175.11060	0.4
177.05399	0.6
191.07030	0.4
193.12106	1.3
195.09894	1.0
211.13237	1.0
229.14288	1.3
243.08279	2.6
251.12489	1.7
285.16898	0.6
307.15244	0.5
413.17801	10.7
469.20441	11.9
479.26181	0.9
562.08087	0.5
607.67627	0.5
641.31366	100.0
642.31592	4.5
699.35321	0.9
745.35968	17.2
746.35883	0.6
757.26611	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
55.05502	1.4
56.85243	0.4
57.03430	2.5
61.02927	3.8
67.05498	2.0
69.03418	2.8
69.07062	1.0
70.06577	0.7
71.04984	1.5
71.59525	0.6
73.02920	2.5
79.05497	2.8
81.03407	3.7
81.07053	2.2
83.04973	0.8
83.08631	1.0
85.02901	4.9
87.04463	0.6
91.03951	2.8
91.05489	2.0
93.07061	1.6
95.04977	1.8
95.08583	1.0
97.02876	3.5
97.06542	0.7
99.04462	0.8
101.02370	1.3
105.07053	2.1
107.04932	0.9
107.08608	1.6
109.02886	0.9
109.06527	0.9
109.10189	0.8
115.03964	0.5
117.05522	0.8
117.07022	0.5
119.04865	0.5
119.08598	1.2
121.10143	1.6
123.04409	1.7
123.08023	0.6
125.09633	0.5
127.03920	2.4
129.05510	1.4
129.07040	1.0
131.04976	0.6
131.08585	1.9
133.06490	0.7
133.09991	1.0
135.08081	0.5
137.05971	1.0
139.03856	0.9
145.10179	0.6
145.54372	0.5
147.04341	2.3
147.11719	1.4
149.09589	1.4
153.01842	0.9
157.10124	0.8
159.11671	0.8
161.09650	0.5
167.07065	1.0
173.13322	0.6
175.11215	0.8
177.05498	1.0
181.04822	0.8
185.04185	3.0
193.12291	1.7
201.03763	1.4
207.13692	1.3
211.13199	0.6
215.10736	0.5
225.14883	0.8
243.08424	3.2
251.12679	0.6
265.14102	1.3
267.15854	1.3
267.70886	0.5
283.15149	8.3
301.08920	14.1
301.12070	0.7
305.93414	0.6
309.16818	2.2
310.89124	0.5
313.09198	0.6
315.10529	3.2
323.18338	2.6
327.10519	0.7
339.17963	1.0
355.13742	0.7
357.15353	0.8
367.17276	0.9
371.16742	0.6
373.10938	4.7
381.18744	8.3
383.16876	1.5
385.18283	7.1
387.12524	0.9
395.20578	0.7
399.20035	2.4
401.14087	0.6
415.15753	0.9
423.19809	0.5
427.19418	6.7
429.17361	2.2
437.25449	0.6
439.19550	1.1
441.20978	1.3
443.18860	1.5
457.20361	0.8
465.28418	2.8
467.19128	0.7
469.20456	3.0
473.19870	0.7
476.19305	0.5
483.21939	1.6
483.28806	0.7
485.19797	1.1
499.21399	3.4
501.23184	18.2
502.22763	0.9
511.28580	1.3
512.88409	0.6
516.21881	1.1
517.23389	0.7
529.22607	11.8
537.31433	0.6
545.22308	1.4
573.25122	10.5
573.33527	0.8
577.36224	0.6
583.30688	1.2
585.32660	0.6
587.26544	2.8
601.28204	3.3
613.32147	1.8
615.29877	2.0
629.30176	1.0
641.31409	1.7
643.32666	4.9
657.34662	0.8
683.36908	0.7
699.36243	0.6
727.35254	2.4
728.36023	1.3
745.36157	100.0
746.36365	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	744.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37265	0.9
53.01469	1.0
53.03932	3.3
55.01870	1.4
55.05509	14.4
57.03431	10.1
57.07063	1.6
59.04988	3.8
61.02906	3.5
65.03908	2.5
67.05501	100.0
69.03413	2.0
69.07060	11.6
69.96660	5.3
71.04990	20.4
73.02906	1.4
79.05489	33.5
80.52471	1.2
81.03403	3.4
81.07054	45.0
83.04950	4.8
83.08615	11.0
85.02888	4.5
85.06514	3.6
86.09676	1.4
91.03954	1.4
91.05476	26.2
93.07037	46.8
95.04962	7.3
95.08601	38.8
95.09108	0.7
95.09223	1.1
97.02896	2.0
97.06503	4.2
97.10184	2.2
99.08089	1.3
105.07019	13.1
107.08586	22.7
109.10151	70.4
111.08054	3.1
117.06980	5.9
119.08572	19.1
121.10133	17.0
123.08021	1.3
123.11670	2.9
125.00008	1.4
125.09598	1.3
129.07019	1.9
131.08556	7.3
133.10146	8.4
134.09412	1.2
135.11682	16.0
137.09596	10.2
143.08507	1.2
145.10121	8.8
147.11655	4.4
149.13237	4.1
155.10703	2.4
157.10088	1.3
159.11671	4.9
161.13248	1.6
163.11140	3.3
163.14725	1.2
169.12311	1.3
171.11739	1.2
173.11708	9.7
173.13176	2.4
175.11185	1.5
175.14830	1.4
181.12260	1.5
184.07339	4.6
193.12169	2.2
211.13223	2.2
211.65704	0.9
225.03500	1.1
229.14355	2.0
243.15935	1.9
255.15851	5.7
261.22043	3.0
285.16977	4.1
287.18500	16.8
335.25787	28.7
337.27344	3.4
379.29752	1.1
471.34613	2.8
489.35736	92.7
490.35904	3.6
503.36954	2.2
515.37219	11.9
529.39087	1.3
533.38336	1.5
547.39923	84.4
548.39978	2.8
563.55414	1.2
750.56085	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.05508	1.3
57.03434	1.4
61.02925	4.3
65.03945	0.3
66.49289	0.3
67.05503	5.1
69.03423	3.1
69.07071	1.3
73.02913	3.7
79.05493	3.9
81.03423	1.6
81.07051	5.4
81.12112	0.4
82.50986	0.4
83.04981	0.6
83.08633	0.7
84.12225	0.4
85.02904	4.9
88.86304	0.4
91.03954	3.8
91.05453	2.7
93.07050	4.3
95.04954	0.8
95.08607	3.8
97.02882	4.1
97.36696	0.4
99.04464	0.7
101.02391	1.7
104.80130	0.4
105.07034	1.7
107.08540	2.0
109.02899	0.9
109.10197	1.2
117.07051	0.7
119.08600	1.7
121.10157	1.2
123.11755	0.4
127.03963	1.1
131.08601	0.7
133.10219	0.4
135.06792	0.4
135.11740	1.1
143.08644	0.4
145.10167	0.5
147.11688	0.8
149.13344	0.4
161.13297	0.5
164.31180	0.4
171.11774	0.5
184.07423	0.7
185.04283	0.7
203.05191	0.4
207.13942	0.5
237.03833	0.4
243.08450	1.8
247.13091	1.2
296.04398	0.4
335.25821	0.9
465.20853	3.3
519.29315	6.8
520.29663	0.5
723.70148	0.4
743.43372	100.0
744.43494	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	742.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.4
55.01858	4.5
55.05508	23.2
57.03436	15.3
57.07065	3.9
60.08181	1.6
61.02916	4.8
65.03931	5.0
67.05498	80.1
68.05831	1.8
69.03422	3.6
69.07060	23.1
70.11689	7.3
70.24951	1.2
71.04980	5.5
73.02895	1.9
79.05487	63.4
81.03412	17.6
81.07050	100.0
83.04980	7.4
83.08613	23.8
85.02896	5.0
85.06527	5.1
86.09695	9.1
91.03938	2.1
91.05473	58.3
92.20119	1.3
93.07034	74.5
95.04967	15.1
95.08598	41.7
97.02888	3.2
97.06521	10.7
97.10155	3.9
99.04443	1.4
99.08059	2.6
102.05383	1.4
103.05441	1.9
105.07023	51.9
107.04948	2.2
107.08589	44.9
109.06505	4.4
109.10155	18.4
111.08068	5.2
113.11611	1.4
115.05451	2.4
117.07001	19.9
119.08572	42.4
120.08823	1.3
121.06481	2.5
121.10133	30.2
123.08075	2.4
123.11697	6.3
124.99997	6.0
125.09599	1.7
127.03926	1.6
129.06976	10.8
131.08553	27.1
133.10121	47.4
135.08101	3.3
135.11685	23.7
139.11279	1.5
143.08563	8.7
145.10097	16.4
147.11671	31.7
148.11958	1.4
149.09625	3.8
149.13255	18.8
151.11133	2.2
155.08609	1.9
157.10120	11.4
159.08067	1.4
159.11668	20.2
161.13240	15.9
163.11224	1.8
163.14836	3.9
165.12807	2.9
166.84181	1.5
169.10172	2.5
171.11682	10.6
173.13199	8.6
175.11195	4.3
175.14801	6.1
177.12727	4.6
183.11734	2.5
184.07336	34.6
185.13196	9.1
187.14796	2.8
191.14191	1.7
193.12236	2.6
193.15640	1.3
195.11891	1.8
195.13762	14.7
197.13199	1.5
199.14801	3.8
209.13306	1.6
213.14711	2.6
218.38956	1.2
227.12617	1.9
231.20998	1.7
241.19524	19.0
243.21123	2.1
259.20554	50.3
261.22067	5.3
267.15894	20.8
269.17462	71.7
270.17636	1.5
277.21667	2.3
285.16959	5.3
301.25174	1.5
315.23151	5.7
333.24231	58.3
335.25766	18.6
336.25992	1.9
435.32443	5.0
453.33411	4.8
471.34900	3.2
509.36325	3.2
527.37311	61.6
544.36743	1.8
545.38306	30.6
702.98633	1.4
710.43799	2.1
742.43256	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.6
55.01857	4.8
55.05507	23.0
57.03431	16.0
57.07069	4.8
60.08153	4.0
61.02910	2.0
65.03927	2.8
67.05502	93.5
68.05770	1.7
69.03407	2.3
69.07064	27.8
69.44615	14.5
69.45033	3.0
69.45184	1.5
70.07391	1.6
71.04969	6.1
73.02890	2.0
75.74668	1.7
79.05489	64.8
81.03414	12.7
81.07052	100.0
83.04974	7.4
83.08612	19.9
83.19796	1.8
85.02893	4.3
85.06519	6.0
86.09707	18.4
91.05474	61.3
93.07037	86.5
95.04971	13.6
95.08603	44.2
97.02874	2.5
97.06535	9.6
97.10172	5.6
98.98460	1.8
99.08049	4.9
105.07022	61.2
106.07356	1.7
107.04944	2.5
107.08589	56.9
109.06502	3.8
109.10162	13.2
111.08058	7.8
117.07034	22.4
119.08568	45.4
121.09300	2.9
121.10139	38.6
122.37827	1.7
123.08061	2.3
123.11710	6.4
125.00001	8.5
125.09631	2.5
129.06993	10.7
131.08557	27.4
133.10118	39.9
135.08066	2.1
135.11678	23.5
137.09560	2.4
139.11153	2.8
143.08559	9.0
145.10123	19.1
147.10513	2.4
147.11679	38.8
149.09621	3.1
149.13249	32.7
157.10178	9.1
159.11690	31.8
161.13234	25.2
163.11127	2.4
163.14760	3.6
165.12746	1.9
169.10123	2.7
171.11679	10.2
173.13284	10.3
175.14774	11.4
177.12747	7.3
184.07341	48.4
185.13216	8.8
185.34760	1.8
186.33722	1.5
187.14854	3.6
189.16389	2.7
193.12227	2.1
195.13760	9.3
197.13339	2.0
199.14821	4.8
213.16371	2.2
231.21027	7.7
241.19475	27.6
243.20999	2.7
259.20554	79.8
261.22162	3.9
267.15894	20.8
269.17462	95.8
285.16772	1.9
288.22284	1.6
315.23050	8.4
333.24222	56.8
335.25671	7.6
435.32562	6.9
453.33374	4.7
471.34641	2.4
509.36005	2.6
517.38708	3.7
527.37292	86.4
528.37622	3.3
545.38275	28.7
635.39233	2.0
710.44366	2.3
742.43652	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	742.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
54.37719	0.7
55.01854	2.4
55.05507	22.0
57.03182	1.1
57.03434	14.4
57.07050	1.1
59.04994	1.4
61.02919	4.5
65.03927	2.4
67.05499	49.2
69.03414	3.6
69.06721	1.0
69.07065	13.6
69.62353	2.9
69.62782	2.8
71.04988	4.8
73.02948	1.2
78.64277	0.6
79.05484	40.5
81.03410	52.8
81.07049	55.2
83.04975	13.8
83.08137	1.6
83.08609	22.9
85.02892	24.2
85.06553	1.7
87.04448	1.0
87.74551	0.7
91.03952	1.5
91.05470	35.9
93.07033	42.7
94.84357	0.8
95.04359	1.4
95.04958	25.5
95.08600	33.6
97.02899	4.6
97.03419	0.8
97.06504	4.1
97.10149	4.4
98.20761	1.5
99.04440	0.8
99.08116	0.7
105.07024	25.4
107.04931	5.1
107.08585	19.9
109.06495	4.8
109.10142	12.5
111.04437	1.3
111.08054	8.5
113.06016	2.5
115.05468	1.7
117.06993	4.9
119.08572	23.1
121.06483	1.6
121.10130	19.7
123.08060	3.6
123.11685	5.7
125.09644	2.6
129.07008	9.2
131.08559	15.3
133.06500	3.1
133.10120	15.0
135.11671	8.4
137.09587	2.3
142.07773	2.2
143.08568	0.9
145.10124	5.2
147.08029	2.3
147.11671	16.6
149.09627	5.0
149.13274	3.6
151.11078	1.0
152.68283	0.8
155.08479	0.9
157.10109	11.5
159.11711	4.3
161.13234	2.2
163.11139	1.2
163.14825	1.9
165.12743	3.1
171.11658	0.8
173.13268	4.0
175.11172	13.3
175.14844	1.2
183.11661	1.0
185.13188	1.0
187.14940	1.1
193.10387	1.1
193.12231	41.2
211.13269	75.9
218.43327	0.8
227.12740	1.4
229.14337	1.0
233.22629	1.0
243.21092	2.5
261.22067	10.3
267.15887	16.4
285.16931	82.9
286.17166	1.2
317.24777	3.4
335.25766	76.1
336.26129	1.0
435.32605	2.6
453.33734	2.5
471.34595	1.2
527.37341	13.0
545.38318	100.0
546.38489	3.8
617.59619	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.5
55.01860	2.2
55.05268	0.9
55.05511	15.7
57.03183	1.2
57.03439	11.7
57.07070	1.7
61.02917	3.4
65.03940	1.8
67.05503	41.3
69.03413	2.5
69.07061	8.3
71.04984	4.2
73.02895	0.8
75.67802	0.8
79.05489	35.8
81.03415	34.8
81.07053	43.3
83.04971	10.2
83.08612	16.1
85.02895	18.1
85.06536	1.6
85.85155	0.7
91.03973	1.5
91.05478	27.2
93.07040	32.6
93.79349	0.8
95.04964	16.1
95.08598	28.6
97.02872	2.9
97.06512	3.6
97.10163	3.7
98.20744	1.3
99.08083	1.0
103.05457	0.9
105.07029	19.6
107.04939	4.6
107.08589	17.4
109.06509	4.4
109.10160	10.0
111.04477	1.0
111.08068	8.3
113.05978	1.4
115.05428	1.5
116.19574	0.8
117.06991	2.9
119.08569	15.6
121.06498	1.8
121.10130	14.3
123.08059	2.0
123.11710	4.0
125.09592	1.2
125.13216	0.9
129.06995	5.3
131.08574	13.2
133.06500	1.8
133.10117	11.1
135.11667	7.4
139.11139	0.9
142.07857	2.2
145.10092	3.8
147.08003	1.8
147.11688	9.3
149.09583	3.1
149.13243	3.1
151.11145	0.9
157.10098	8.5
159.11685	2.5
161.13306	2.2
163.11118	1.1
173.13298	2.0
175.11172	8.0
193.12245	25.1
211.13278	39.3
227.12691	1.0
243.21066	2.1
261.22159	8.9
267.15912	10.9
285.16943	46.0
301.25119	0.9
317.24716	2.3
335.25778	77.6
336.26144	2.3
428.37991	1.0
435.32373	1.5
453.33810	2.2
471.34537	1.4
515.65460	0.9
527.37384	11.7
545.38348	100.0
546.38544	4.0
638.28326	1.0
641.96832	0.9
661.96204	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01858	1.6
55.05261	0.8
55.05506	12.9
56.90574	0.5
57.03180	1.0
57.03433	11.1
57.07070	1.4
61.02909	2.7
65.03930	1.8
67.05497	33.9
69.03414	3.5
69.07066	8.6
69.39279	3.1
69.39709	2.5
70.35226	0.6
71.01365	0.6
71.04974	2.6
71.08627	0.6
71.97456	0.6
73.02920	0.7
79.05481	23.4
79.69926	0.7
81.03410	37.2
81.07049	34.6
82.70979	0.6
83.04975	10.4
83.08130	1.3
83.08611	17.1
85.02892	15.9
85.06562	1.4
86.09711	1.5
91.04891	0.9
91.05473	21.9
93.07035	29.1
95.04952	17.5
95.08601	24.3
96.67188	0.6
97.02863	3.0
97.06506	2.7
97.10160	3.7
99.04475	0.8
99.08082	1.0
105.07018	18.0
107.04947	3.9
107.08585	15.0
109.06515	3.0
109.10144	9.6
111.04449	1.5
111.08067	7.1
113.06009	1.3
115.04536	0.5
115.05418	0.7
117.06979	3.0
119.04923	0.7
119.08571	14.6
121.06498	1.0
121.10131	12.1
123.08073	2.4
123.11697	2.6
124.99949	1.1
125.09583	1.0
129.06990	5.3
131.08549	9.7
133.06487	1.4
133.10130	8.3
135.08066	1.4
135.11702	6.3
137.09627	1.6
142.07721	1.1
143.08568	0.8
145.10081	3.5
147.08038	2.0
147.11679	12.0
149.09601	3.7
149.13281	2.7
151.11177	1.2
152.04588	0.6
157.10107	8.7
159.11725	2.6
161.13249	1.8
163.11162	1.0
163.14798	1.5
165.12770	2.7
169.10088	0.7
173.13293	2.3
175.11165	10.0
184.07330	5.2
185.13286	0.8
187.14857	1.5
193.10417	0.9
193.10736	0.5
193.12215	27.8
211.13271	43.1
227.12827	1.6
243.21146	1.2
248.65288	0.6
261.22104	5.8
267.15860	9.0
279.23376	0.6
283.15530	0.8
285.16934	42.9
299.23520	0.7
301.25217	0.7
317.24713	1.6
320.19666	0.6
335.25757	45.0
336.26068	1.3
349.23325	0.6
417.31436	0.7
435.32526	1.3
453.33569	1.6
480.65601	0.7
527.37238	8.4
530.34131	0.7
545.38312	100.0
546.38678	2.4
623.02582	0.7
637.40869	0.6
756.84033	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01866	1.3
55.05266	0.7
55.05510	10.0
57.03433	8.7
57.07051	0.6
57.81993	0.4
61.02901	1.5
65.03941	1.2
67.05500	28.3
69.03425	2.5
69.07065	7.4
70.66163	1.4
71.04992	2.8
71.08636	0.6
73.02913	0.7
75.20324	0.4
77.03909	0.5
79.05490	20.6
81.03413	30.1
81.07052	27.3
83.04974	7.3
83.08615	12.9
83.09113	0.6
85.02899	11.3
85.06529	1.1
86.09709	1.0
91.03966	0.6
91.04897	0.8
91.05474	17.3
93.07039	24.6
95.04963	13.4
95.08599	20.5
96.32307	0.4
97.02874	2.1
97.06521	2.3
97.10158	2.8
99.04436	0.7
99.08082	1.1
105.07032	12.7
107.04959	2.4
107.08588	12.6
107.09293	0.9
109.06499	2.7
109.10150	7.3
111.04424	0.9
111.08070	6.1
113.06009	1.2
117.06999	2.3
119.08578	11.4
121.06534	1.0
121.10134	11.1
123.08056	1.8
123.11686	3.2
125.09626	0.9
127.07584	0.6
129.06982	3.7
131.08565	8.0
133.06479	1.4
133.10130	6.7
135.11650	5.0
137.09657	0.8
142.07748	0.7
145.10121	3.3
147.08104	0.8
147.11679	8.8
149.09599	2.9
149.13278	2.9
157.10100	6.9
159.11700	1.8
161.13272	1.4
163.11130	0.8
163.14827	1.2
165.12764	2.1
173.13298	1.4
175.11194	6.3
175.14796	0.6
180.31085	0.5
184.07320	2.5
187.14839	0.7
193.12234	22.3
211.13283	28.6
212.13614	0.8
227.12770	0.7
243.21127	1.8
261.22122	5.6
267.15887	8.0
283.15524	0.6
284.15802	0.7
285.16953	34.9
286.17322	0.8
309.21460	0.6
317.24765	1.5
335.25775	55.7
336.26193	1.7
354.79971	0.6
435.32547	1.1
453.33609	1.3
471.34445	0.6
527.37292	8.9
545.38336	100.0
546.38696	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	741.2232
Annotation	Kaempferol-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
53.03943	0.1
55.01872	0.2
55.05512	0.6
57.03437	2.1
59.04989	0.1
60.15727	0.1
61.02925	0.5
67.01860	0.1
67.05495	0.2
68.99442	0.1
68.99813	0.3
69.03427	1.6
71.01348	0.3
71.04992	11.7
71.17811	0.1
71.18175	0.2
73.02909	1.2
75.04469	0.7
79.05494	0.2
81.03419	0.6
83.04980	3.0
85.02902	17.1
87.04469	0.5
89.76304	0.1
90.95478	0.1
95.04964	0.5
97.02876	1.2
97.06503	0.1
99.04449	0.8
105.03387	0.2
107.04966	0.3
109.02877	0.5
109.06553	0.1
111.00794	0.4
111.04440	2.2
113.06023	0.3
117.05456	0.5
119.04939	0.1
121.02869	1.5
123.04427	0.4
125.05930	0.1
127.03923	1.0
129.05473	4.4
133.02844	0.3
135.04428	0.3
137.02350	0.4
137.05928	0.1
139.03903	0.4
145.04985	0.6
145.06483	0.2
147.04407	0.4
147.06508	1.8
153.01826	2.4
153.05455	0.8
157.04955	0.3
157.06429	0.2
159.06506	0.1
163.03906	0.2
163.06035	0.5
165.01837	1.0
165.05429	0.1
165.08968	0.1
171.04410	0.2
171.06525	0.2
180.83543	0.1
181.04921	0.1
183.02892	0.5
183.06514	0.2
201.07553	0.2
203.07083	0.2
213.05441	0.9
213.07475	0.2
217.44029	0.1
231.06485	0.5
231.08632	0.1
239.09090	0.8
241.04872	0.7
243.06450	0.1
257.10220	0.3
258.05228	0.8
259.06024	0.4
269.04416	0.2
271.05963	0.1
275.11203	0.3
286.04871	0.1
287.05484	100.0
288.05801	1.6
289.15323	0.1
293.12405	0.2
299.05566	0.4
300.06067	0.1
311.05542	0.2
325.07007	0.1
329.06436	0.9
353.06451	0.3
379.07886	0.2
397.09128	0.3
415.10376	0.3
433.11288	0.8
449.10788	1.9
595.16449	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67475	0.6
53.03943	2.0
55.01872	7.3
55.05508	7.4
57.03438	5.2
57.07078	1.4
65.03926	1.1
67.05499	25.5
69.03416	1.3
69.07062	15.9
71.04989	1.9
79.05489	19.0
81.03410	4.6
81.07051	36.7
83.04971	4.7
83.08614	6.7
85.06542	2.0
91.05477	21.3
93.07038	26.2
93.07629	1.4
95.01324	3.1
95.04961	6.2
95.08597	16.3
97.02882	0.8
97.06525	15.2
97.10168	1.9
99.08067	1.3
103.05446	1.1
105.07020	30.3
106.07369	0.6
107.04958	7.0
107.08582	15.3
109.06489	1.8
109.10136	3.7
111.08086	2.4
117.07017	8.3
119.08575	16.1
121.06512	1.2
121.10139	9.1
123.04459	0.9
123.08084	1.6
123.11689	0.9
125.09662	0.8
129.07021	1.2
130.07796	0.6
131.08563	10.5
133.10118	18.7
133.11072	1.1
135.08025	2.2
135.11696	6.0
139.07533	1.1
139.11223	0.9
141.07024	0.9
143.08557	1.9
145.10112	6.4
147.11673	5.6
147.20874	0.7
149.09599	2.3
149.13252	9.1
151.11169	1.3
155.08554	1.1
157.10168	1.6
159.11678	7.9
161.13271	1.9
161.83298	0.7
162.49490	0.7
163.11198	2.4
165.09131	1.0
169.10112	1.0
173.13280	2.1
175.15034	0.7
177.12750	2.8
179.14276	5.1
183.11659	0.8
184.07361	1.2
187.11314	1.0
187.14767	0.8
195.13844	2.4
197.13321	0.9
227.12727	0.7
229.19379	0.9
251.16479	1.3
257.19104	2.2
269.17465	30.0
275.20038	27.4
279.15982	0.9
283.15375	2.4
293.21042	1.5
320.45853	0.7
335.25766	3.4
349.23676	11.5
525.35620	1.3
543.36786	100.0
544.37402	2.5
561.38037	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01880	4.5
55.05507	9.4
57.03436	3.5
57.07060	1.1
65.03931	1.6
67.05500	25.6
69.03426	1.1
69.06715	1.4
69.07065	17.0
71.04980	2.8
71.60293	1.0
73.02901	0.9
79.05486	22.2
81.03414	4.4
81.07053	38.4
82.07315	0.7
83.04971	3.7
83.08603	6.7
85.02879	1.6
85.06497	1.2
85.44545	0.7
91.05476	22.3
93.06463	1.6
93.07039	25.6
94.05561	0.7
95.01346	3.8
95.04979	5.6
95.08600	15.3
97.02830	0.9
97.06519	8.6
97.10159	1.3
98.38727	0.9
100.77276	0.7
103.05419	1.1
105.07024	29.0
107.04931	6.8
107.08598	13.0
109.06528	2.6
109.10149	3.6
111.08109	1.9
115.05478	1.0
117.06992	8.7
119.08582	13.6
121.06504	1.8
121.10143	7.3
123.08056	1.6
123.11723	1.9
125.09599	1.2
128.43666	0.8
129.07007	1.5
131.08537	10.8
133.10115	20.0
135.08060	1.7
135.11682	5.5
137.09581	0.9
143.08542	1.4
145.10114	5.5
147.11693	5.7
149.09610	2.8
149.13232	5.0
151.11171	1.3
157.10144	2.0
159.11668	5.7
161.13301	2.1
163.11182	2.7
171.11729	1.2
173.13269	1.6
177.12775	1.9
179.14249	4.4
183.11792	0.8
184.07312	1.0
195.13869	2.3
245.01764	0.8
257.19019	1.7
269.17468	23.7
275.20044	20.6
283.15460	2.4
293.21301	0.9
307.21771	0.9
335.25806	4.8
349.23715	9.1
384.19815	0.7
413.21625	1.0
449.93015	0.9
463.30380	1.1
543.36768	100.0
544.36993	4.2
561.38037	1.4
687.41022	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01870	2.4
55.05507	10.9
57.03434	8.4
57.07070	1.1
57.38118	0.2
61.02921	1.3
61.20431	0.3
65.03941	1.4
67.05498	38.1
67.69312	0.3
68.05811	0.4
69.03417	1.4
69.07059	10.6
70.87579	0.9
71.04985	2.5
71.08617	0.3
73.02907	1.0
77.03911	0.5
79.05485	30.7
80.05819	0.3
81.03424	1.7
81.07049	39.0
82.07384	0.5
83.01339	0.5
83.04974	3.1
83.08130	0.5
83.08610	8.3
85.02903	1.1
85.06518	1.5
86.09713	0.3
91.04885	0.4
91.05468	13.2
93.07035	43.7
94.07349	0.7
94.75162	0.3
95.04958	6.6
95.08597	45.0
96.08926	0.5
97.02877	3.1
97.06529	3.5
97.10151	1.8
98.20813	0.3
98.80339	0.3
99.04436	2.9
99.08079	0.6
103.05475	0.7
105.04514	0.4
105.06293	0.5
105.07017	10.2
107.04953	5.1
107.08583	28.7
108.08894	0.5
109.02858	0.3
109.06545	1.9
109.10140	10.0
111.04428	0.8
111.08098	1.7
113.06013	0.5
115.05463	0.5
117.07007	8.1
119.08569	10.7
121.06498	3.4
121.10131	17.4
122.10467	0.5
123.08075	0.5
123.11687	3.1
125.00007	0.4
125.05960	2.3
125.09617	0.5
127.03899	0.4
127.07578	0.5
129.06969	0.6
130.07779	1.0
131.08559	4.7
133.10126	5.6
135.08066	1.9
135.11681	38.3
136.12036	0.9
137.09621	0.6
137.13235	0.7
139.07533	1.3
143.08546	1.0
145.10109	21.4
146.10439	0.4
147.11671	2.4
149.13222	3.0
153.12743	0.7
155.08450	0.3
159.11681	2.3
161.13257	2.2
163.11165	43.0
163.14844	1.2
164.11537	0.7
173.09564	0.5
173.13240	1.7
175.14786	0.8
177.16347	0.5
179.14241	0.4
181.12227	7.4
184.07309	0.8
187.14854	0.9
193.62292	0.3
201.16452	0.3
209.11748	1.2
219.17491	0.3
227.12756	48.0
228.13124	0.8
240.53685	0.3
243.21082	2.0
261.22113	6.7
283.15372	52.9
284.15741	1.5
306.51407	0.3
317.24692	2.0
335.25763	100.0
336.26126	4.3
469.33176	0.5
529.38251	0.3
543.36768	78.7
544.37079	5.2
561.38220	0.4
653.95776	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
54.25520	0.3
55.01866	7.9
55.05506	21.5
55.05758	0.8
56.53424	0.4
57.03432	16.1
57.07073	2.3
57.68428	0.4
59.04996	2.7
61.02923	6.6
65.03893	1.5
65.04226	0.4
67.05498	49.4
69.03412	2.3
69.07062	13.6
69.59359	3.3
71.01310	1.2
71.04984	4.0
71.08602	0.7
73.02892	1.0
73.06508	0.4
73.97011	0.4
74.90146	0.4
79.05487	40.9
80.05804	0.7
81.03413	9.2
81.07049	55.2
82.07339	0.9
83.01338	7.4
83.04972	10.9
83.08611	15.2
84.17715	0.4
85.02420	0.6
85.02890	8.6
85.06490	1.8
91.03955	2.7
91.05471	22.9
92.05725	0.5
93.07034	53.2
94.07333	0.9
95.04967	9.6
95.08598	39.6
97.02390	0.4
97.02885	4.9
97.05996	0.5
97.06525	5.8
97.10172	4.9
98.20750	0.9
99.04437	2.2
99.08031	1.5
105.04494	0.9
105.06305	0.5
105.07022	19.2
107.04957	6.6
107.08583	30.4
109.02821	0.7
109.06504	6.8
109.10143	14.3
111.04430	2.2
111.08080	3.3
117.06221	0.7
117.07004	10.8
119.06031	0.4
119.08568	16.2
121.06516	3.6
121.10133	21.9
121.11017	1.1
123.04440	0.6
123.08064	8.8
123.11691	3.7
125.05939	1.5
125.09635	2.8
127.03851	0.9
129.05446	0.7
129.06981	2.4
130.07744	1.3
131.04927	0.5
131.07596	0.5
131.08557	9.9
133.10123	9.2
134.29968	0.4
135.08014	2.2
135.11681	21.1
136.12016	0.8
137.09642	2.0
137.13225	1.0
139.07518	0.9
143.08545	2.3
145.06403	0.8
145.10106	21.8
147.08015	1.6
147.11684	5.9
149.09523	1.4
149.13228	6.2
151.11111	0.8
153.12756	3.2
155.08504	1.4
157.10107	1.8
159.11687	5.0
161.13243	4.4
163.11166	23.1
163.14809	3.2
164.11465	0.6
165.09079	0.5
168.38365	0.5
169.10077	0.5
171.11716	0.8
173.09601	2.3
173.13258	4.2
175.14781	1.9
177.12636	0.5
177.16313	1.0
181.10622	0.7
181.12201	3.9
184.07285	1.8
185.13185	0.8
187.14796	2.6
189.11180	2.2
189.16261	0.7
191.10664	2.7
193.12210	1.6
199.14821	1.0
201.16338	1.2
209.11664	7.2
209.13551	0.6
211.13210	1.3
215.17996	0.6
223.14822	0.6
227.12746	10.1
233.22632	0.7
243.21095	5.0
259.20544	1.9
261.22119	17.1
262.22406	0.5
267.15945	1.3
279.23334	0.7
283.15372	93.1
284.15707	2.9
299.23608	4.1
301.21793	0.7
317.24725	4.8
333.24246	2.0
335.25763	100.0
336.26117	4.1
415.29861	0.8
433.31113	2.1
451.32144	2.7
469.33337	2.4
487.34052	1.0
508.86313	0.5
515.37531	0.9
525.35876	4.6
543.36774	70.5
544.36841	4.9
561.37488	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	740.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
55.01868	6.9
55.05508	19.9
56.05794	0.4
57.03435	14.8
57.07064	2.0
59.05002	2.4
60.08151	0.6
61.02926	5.1
65.03941	2.1
67.05499	41.0
69.03403	2.2
69.07060	11.7
69.35463	0.8
69.35872	3.7
71.01321	1.2
71.04989	5.1
71.08593	0.6
73.02883	1.6
79.05487	33.3
80.05787	0.5
81.03413	10.6
81.07051	41.3
83.01328	8.6
83.04975	9.9
83.08611	12.3
85.02433	0.5
85.02899	7.5
85.06548	2.3
86.09695	3.9
87.04387	0.4
87.10020	1.0
91.03951	2.1
91.05475	21.3
92.05750	0.7
93.07036	42.6
95.04964	8.2
95.08600	31.0
96.08978	0.5
97.02887	4.7
97.06530	5.0
97.10161	3.8
98.32957	0.5
99.04441	2.1
99.08024	1.0
103.05439	0.5
105.04501	0.6
105.06305	0.6
105.07020	16.1
107.04953	6.2
107.08586	24.3
109.02876	0.6
109.06517	6.3
109.10146	12.7
111.04414	1.7
111.08084	2.5
116.06203	0.5
117.06228	0.5
117.07010	9.8
119.08575	13.2
121.06494	2.9
121.10132	16.7
122.10513	0.4
123.04424	0.4
123.08052	8.1
123.11703	3.8
124.99995	3.4
125.05962	1.6
125.09621	2.9
127.03898	0.6
129.06982	2.1
130.07755	0.9
131.08553	10.0
133.09215	0.7
133.10120	7.6
135.08006	1.9
135.11679	17.1
137.09622	2.0
137.13220	1.6
139.07558	0.5
139.11153	0.6
143.08539	1.9
145.04904	0.5
145.06429	1.1
145.10104	17.3
147.08011	1.8
147.11650	4.8
149.09566	1.1
149.13245	4.8
151.11130	1.0
153.12729	2.9
155.08521	1.6
157.10095	1.0
159.11690	5.1
161.13245	2.8
163.11169	19.3
163.14767	2.2
171.11612	1.0
173.09656	3.0
173.13228	3.3
175.14821	1.3
177.16359	1.2
181.12228	2.7
181.91859	0.4
183.11618	0.6
184.07332	12.9
185.07756	3.0
185.13287	0.8
186.07739	1.5
187.14799	1.7
189.11163	2.1
191.10674	2.9
193.12216	1.3
195.11691	0.5
199.14772	0.9
201.16321	0.5
209.11688	7.2
211.13229	1.1
227.12758	9.9
243.21147	3.7
245.13878	0.8
252.21980	0.5
259.20618	1.4
261.22110	12.8
262.22531	0.6
267.15790	1.4
271.42764	0.6
273.22083	0.6
277.21619	0.6
279.23218	0.6
283.15375	100.0
284.15680	2.2
285.17026	0.8
299.23660	3.8
301.21564	0.6
317.24667	3.6
333.24313	1.5
335.25772	71.4
336.25916	2.2
362.68057	0.5
415.29724	0.8
423.32520	0.6
433.31015	2.0
451.32156	2.9
469.33115	2.4
487.34314	1.5
515.37354	0.7
525.35736	4.0
543.36774	48.0
544.37085	2.7
561.37769	3.1
569.22357	0.5
615.01813	0.5
690.46021	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01875	2.7
55.05508	13.4
57.03430	8.5
57.07058	1.0
58.21587	0.4
59.04985	0.5
61.02907	1.5
65.03930	1.2
67.05500	38.2
69.03408	1.8
69.07064	11.9
69.33625	3.8
71.04999	2.3
73.02884	1.1
77.03941	0.4
79.05486	32.4
81.03435	2.3
81.07051	41.0
83.01340	0.6
83.04976	3.3
83.08143	0.6
83.08607	10.1
85.02885	0.9
85.06516	1.2
91.03944	0.5
91.04893	0.5
91.05471	14.2
93.07037	49.4
93.13364	0.4
95.04961	6.4
95.08599	50.1
96.08892	0.7
97.02880	3.8
97.06515	4.2
97.10139	2.0
99.04447	4.1
103.05449	0.8
105.04482	0.5
105.07028	11.4
105.07744	0.6
107.04942	7.7
107.08585	33.6
109.06503	2.3
109.09464	0.8
109.10155	11.4
111.04420	1.5
111.08045	1.8
113.09637	0.4
117.06201	0.7
117.07009	9.3
119.08572	12.5
121.06510	4.4
121.10137	20.1
123.08087	1.1
123.11702	2.9
125.05972	3.2
129.06937	0.5
130.07774	1.3
131.08577	4.9
133.10120	5.6
135.08058	1.9
135.11681	50.6
137.09608	0.5
137.13268	0.6
139.07544	2.2
139.11128	0.4
143.08546	0.7
145.06480	0.6
145.10112	26.2
147.11661	2.8
149.09587	0.8
149.13271	2.8
153.12691	0.7
159.11684	1.9
161.13222	2.0
163.11168	58.3
163.14798	1.4
164.11534	0.6
173.09550	0.5
173.13232	1.5
175.14813	0.7
181.12222	9.6
184.07303	0.9
187.14813	0.6
200.13527	0.4
201.16299	0.5
209.11708	1.4
227.12764	75.5
228.13109	1.4
243.21028	2.4
261.22144	7.5
283.15372	100.0
284.15668	2.5
317.24762	2.4
335.25772	93.7
336.26297	2.8
410.84283	0.5
469.33221	0.9
543.36780	84.4
544.37115	5.1
561.37994	0.8
619.18762	0.5
740.41162	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	1.4
55.05503	4.7
57.03437	2.4
59.05008	1.5
65.03935	1.2
67.05507	18.5
69.03419	2.0
69.07065	3.1
70.17423	5.0
71.04987	6.7
79.05499	8.7
81.03418	15.7
81.07059	23.4
83.04973	2.9
83.08620	6.4
85.02906	1.4
85.06528	2.9
87.19228	1.0
91.05475	11.3
93.07039	8.9
95.04973	10.6
95.08608	6.8
97.06536	2.5
97.10162	3.4
99.04406	1.2
105.07027	9.8
107.04967	5.1
107.08616	6.0
109.06543	5.7
109.10161	3.2
111.08076	2.7
117.07015	3.0
119.08550	5.8
121.06488	4.4
121.10117	4.5
123.04430	2.1
123.08124	1.3
123.11684	3.8
124.61750	1.0
125.09626	2.8
127.03941	1.2
129.06998	3.3
131.04903	1.1
131.08578	7.4
133.10126	6.8
135.08038	2.8
135.11717	2.4
137.09610	1.6
139.03850	1.6
143.08530	2.3
145.06493	2.1
145.10129	3.2
147.04439	1.8
147.08034	1.9
147.11656	2.4
149.09593	2.9
149.13231	1.1
151.03888	1.0
151.11172	2.0
153.01828	2.7
157.10130	3.6
159.08061	1.3
159.11693	3.7
163.11145	1.6
173.09680	1.1
175.11159	1.6
185.13120	1.7
187.13358	1.0
191.14317	1.7
193.12228	4.4
195.13782	1.3
217.15971	1.2
219.13863	2.0
231.13742	1.2
267.15881	8.3
269.17487	1.4
301.20053	3.4
343.22647	4.2
349.15881	1.4
369.24493	1.1
371.25632	1.2
417.26276	4.5
435.27435	13.4
443.27905	9.3
450.19031	1.0
461.29001	100.0
462.29367	4.8
475.30551	1.5
480.96930	1.3
493.31827	5.6
637.34247	1.3
694.34821	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
53.13248	1.2
55.01871	7.1
55.05508	43.4
57.03435	22.9
57.07048	1.6
59.04999	37.4
60.14797	1.0
61.02919	5.2
65.03947	3.3
67.05502	98.0
68.05810	1.5
68.57927	1.0
69.03432	8.0
69.06726	1.1
69.07069	14.8
71.01337	1.0
71.04992	19.1
71.59800	1.9
73.02906	2.5
79.05490	43.9
81.03414	75.5
81.07054	50.1
82.03727	1.6
83.04980	24.6
83.08133	2.2
83.08614	32.6
85.02898	32.6
85.06535	7.0
87.04465	49.0
91.03946	1.9
91.05479	53.8
92.05788	1.4
93.07040	32.8
95.04966	32.1
95.08607	20.5
97.02887	8.1
97.06512	7.7
97.10167	18.6
99.04449	22.3
99.08076	2.0
103.95786	1.2
105.07030	33.0
107.04953	14.0
107.08587	20.3
109.06520	7.7
109.10152	65.1
111.04449	6.0
111.08078	13.0
113.06007	3.2
115.03886	2.2
115.05486	1.2
117.06999	5.3
119.04935	2.0
119.08581	26.4
121.06490	3.3
121.10144	13.6
123.04421	6.2
123.08067	4.0
123.11703	1.8
125.06044	1.4
125.09628	14.3
126.38494	1.3
127.03928	4.0
128.06248	1.7
129.07016	12.9
131.08568	14.6
133.06488	3.3
133.10120	19.2
135.04437	1.6
135.08032	2.1
135.11685	3.8
137.05983	2.4
137.09624	5.4
139.03874	2.2
142.07777	4.0
143.08604	1.4
143.10681	2.1
145.10103	8.0
147.04453	1.5
147.08006	6.6
147.11699	16.9
149.09604	9.3
151.03931	1.7
153.01849	4.1
153.12729	3.7
155.10693	3.7
157.10123	16.9
159.11661	2.2
161.09648	1.3
163.11160	7.8
165.12773	2.5
173.09637	1.7
173.10120	2.0
173.11732	21.9
173.13196	2.4
175.11191	15.8
181.12233	2.4
191.10648	3.9
193.12234	57.1
194.12543	1.3
199.13274	10.5
200.50562	1.1
209.11700	4.0
211.13280	83.5
212.13609	1.7
217.14395	1.9
223.13293	2.2
225.14693	1.3
227.12744	8.8
229.14348	64.4
230.14702	1.3
241.14331	5.4
247.13344	1.3
249.14780	1.8
265.14362	1.5
267.15891	34.7
268.16193	1.6
269.17511	2.1
276.20569	1.4
283.15472	8.1
285.16946	56.1
313.16385	2.9
315.18152	7.1
380.54089	1.2
383.22223	1.7
391.24640	1.7
401.23380	1.4
409.25900	5.8
421.25809	24.2
427.26907	11.4
435.27466	1.2
439.26895	100.0
440.27158	2.8
457.26025	1.4
461.29102	6.8
467.26321	1.5
471.55646	1.1
475.26804	4.6
479.29938	2.1
493.27884	3.3
511.28650	1.5
525.30817	7.0
542.14825	1.6
543.31793	5.8
560.36267	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	740.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.3
55.01865	13.0
55.05502	25.6
55.33794	0.8
57.03429	24.6
57.07065	2.0
59.04998	2.6
61.02921	1.8
65.03922	2.5
67.05495	43.1
68.05823	0.8
69.03425	7.5
69.07055	10.4
70.06606	1.0
70.20935	4.1
71.01352	1.7
71.04987	5.8
73.02908	4.4
74.03703	0.8
79.05482	34.8
80.05821	0.9
80.06275	1.4
81.03407	100.0
81.07048	32.0
82.03735	2.7
82.04192	3.9
83.04970	21.7
83.08607	28.6
84.02149	0.9
85.02901	7.0
85.06519	2.9
87.04438	1.4
88.20188	0.9
91.05470	32.1
93.07028	23.5
94.04136	0.9
95.04955	42.2
95.08594	15.7
96.05286	1.1
97.02873	8.4
97.06504	8.4
97.10157	18.4
97.10770	1.4
98.07317	5.2
99.04449	1.8
99.08076	2.3
101.06035	1.0
105.07015	21.1
107.04944	16.4
107.08585	20.4
109.02856	1.7
109.06520	7.9
109.10145	17.0
111.04433	10.6
111.08065	13.1
113.05981	1.1
115.05386	1.7
116.04694	11.5
117.05498	2.7
117.06995	6.9
119.04924	1.9
119.08569	20.1
121.02844	6.0
121.06478	7.3
121.10123	12.1
123.04431	3.6
123.08052	5.9
125.05990	1.1
125.09617	18.8
125.10540	1.0
127.03951	0.9
127.11162	1.6
128.06268	1.1
129.05472	31.9
129.06961	14.0
131.04886	2.4
131.08548	16.6
133.06483	6.4
133.10103	11.3
135.04385	4.2
135.08061	4.3
135.11670	10.9
136.08765	1.0
137.05974	1.7
137.09621	4.1
139.03831	1.0
141.06999	1.4
142.07747	1.6
143.07022	5.9
143.08548	0.8
143.10657	1.2
145.06424	2.2
145.10106	10.1
147.04395	3.2
147.08061	5.4
147.11655	13.2
149.05956	1.9
149.09615	8.6
151.11122	0.8
153.01747	1.7
153.09161	2.1
153.11487	1.3
153.12727	18.2
153.13959	1.6
155.08546	2.4
157.06538	1.0
157.08595	14.0
157.10110	14.7
158.10440	0.9
159.08073	1.5
159.11690	2.3
160.43422	0.9
161.09581	1.6
163.11160	19.0
165.12759	2.8
168.24132	0.8
169.10081	1.1
171.06538	1.5
171.10136	5.0
171.11523	1.6
173.09592	2.7
173.11806	5.8
173.13176	1.7
175.11180	15.2
181.12210	17.7
183.11673	3.1
185.08049	1.0
185.09679	0.8
185.11693	2.3
185.13179	1.3
187.11195	0.9
189.05367	0.9
189.11183	15.1
189.12712	1.4
191.10646	8.9
193.12219	41.6
194.12550	2.0
199.13321	4.4
200.14056	2.0
201.12746	2.4
201.14871	3.3
203.14345	1.9
205.12361	1.1
207.13721	1.1
209.11708	9.3
211.13249	12.0
212.13477	1.1
217.14464	1.0
219.13805	5.2
223.13255	1.8
227.12738	42.7
229.12222	2.4
229.14310	16.7
231.13841	2.0
235.13374	1.1
247.13269	28.6
249.14758	5.5
255.15849	3.3
259.13129	2.1
265.14322	3.0
267.15884	93.0
268.16296	5.4
269.76376	0.8
273.14932	1.3
277.14447	1.2
283.15375	19.0
285.16849	4.4
301.16440	40.8
302.17007	1.3
302.20428	1.1
321.16940	11.8
339.18103	3.8
348.48264	1.0
355.22836	1.1
365.21124	1.5
383.22067	3.6
401.23172	2.8
409.25949	1.3
421.25937	1.4
447.27551	1.1
457.25815	2.6
459.27383	2.4
461.28198	2.5
475.26810	17.6
476.27377	3.5
477.28122	1.7
478.29010	0.9
479.28824	2.1
493.27914	40.0
494.28177	2.3
496.29861	1.2
497.29932	3.0
525.30579	4.8
543.31281	1.1
633.68420	0.9
641.34235	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47297	2.3
53.03924	8.5
55.01873	21.0
55.05266	2.7
55.05508	33.5
57.03432	15.7
59.04993	2.3
61.02912	9.2
65.03930	5.4
67.05500	84.3
68.05817	4.4
69.03425	26.9
69.07060	31.7
70.07620	13.7
71.01340	4.6
71.04992	16.0
73.02914	6.4
77.19392	2.8
79.05062	5.2
79.05492	74.0
80.05810	5.4
80.06249	3.6
81.03414	83.2
81.07053	100.0
82.03746	5.4
82.07379	3.9
83.04977	32.4
83.08610	36.2
85.02901	25.7
85.06519	6.7
87.04453	3.6
89.05991	5.3
91.03938	3.3
91.05476	79.4
92.05794	4.1
93.07034	58.0
94.07364	4.5
95.04965	37.5
95.08054	3.3
95.08599	41.6
97.02884	21.6
97.06519	30.3
97.10162	20.7
98.03655	2.8
99.04465	6.8
99.08048	3.9
103.05442	3.8
105.07018	64.7
106.07364	3.4
107.04944	25.1
107.08582	50.3
108.08920	4.6
109.02877	11.9
109.06523	15.7
109.10135	24.6
111.04427	8.3
111.08097	13.7
113.05972	3.5
117.07032	20.2
119.08561	45.4
121.06496	9.7
121.10118	30.1
123.04394	5.3
123.08048	8.7
123.11672	6.2
125.09621	14.0
127.03890	10.6
128.06198	3.3
129.05424	3.4
129.07014	13.1
131.08569	34.5
133.06477	9.9
133.10104	43.8
135.08028	7.7
135.11659	15.2
135.75925	3.0
136.12059	3.0
137.09589	7.1
141.06975	4.2
142.07675	4.0
143.08554	6.1
145.06491	4.6
145.10103	24.5
147.08051	10.6
147.11652	29.3
149.09598	23.1
149.13263	11.6
151.07544	3.2
151.11198	4.6
153.08968	3.7
153.12785	3.4
157.10100	21.2
159.11725	13.9
161.09547	5.4
161.13235	5.5
163.11176	12.8
165.12708	5.8
169.10104	4.9
171.10254	2.9
171.11664	6.2
173.04472	8.6
173.09587	3.2
173.11790	3.6
173.13177	6.3
175.11211	16.6
177.05566	3.2
177.12732	6.4
181.12128	3.2
189.11220	7.7
191.10632	6.0
193.12234	41.3
195.13843	6.6
197.13268	3.7
199.06067	3.1
201.12730	4.2
201.51971	2.8
209.11693	2.5
211.13275	45.8
220.10426	2.4
227.12781	21.8
229.14253	4.0
239.18045	5.1
257.18958	8.7
265.14276	3.5
267.15894	31.5
268.16214	4.2
269.17535	21.2
270.17810	9.3
275.20078	48.5
275.93491	2.6
280.78754	3.1
283.15454	8.5
284.15714	5.5
285.16983	41.4
336.90610	2.6
349.23636	36.0
367.24759	2.9
395.20483	3.0
413.21960	5.4
423.27289	12.0
424.27823	23.0
429.20764	3.9
450.29175	3.6
461.28854	9.4
463.96729	2.9
467.30936	3.6
477.28543	5.1
478.28629	5.9
479.29999	22.0
496.29950	3.7
541.35187	19.3
559.36310	41.7
577.37268	21.7
623.34045	8.8
703.39679	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	739.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	10.6
55.01875	18.2
55.05300	3.2
55.05511	36.0
55.06071	3.3
57.03432	18.2
59.05004	3.8
61.02922	15.1
65.03916	5.1
67.05502	92.8
69.03425	24.5
69.07069	28.7
70.06325	10.4
70.06732	5.4
71.04982	11.8
73.02917	7.4
79.05490	71.9
81.03414	86.2
81.07058	100.0
81.35423	2.7
82.03754	3.2
83.04969	28.8
83.08616	36.4
85.02907	34.6
85.06548	5.0
91.03963	6.9
91.04882	4.3
91.05476	80.3
93.07044	67.3
94.07352	4.6
95.04964	34.5
95.08601	40.9
96.49420	3.4
97.02893	22.6
97.06532	29.3
97.10168	17.1
98.21423	4.6
99.04444	4.2
99.08089	3.9
105.07029	70.5
107.04951	24.4
107.08587	42.4
109.02883	10.7
109.06510	20.6
109.10170	19.2
111.04443	11.6
111.08090	14.9
113.06015	3.8
117.07037	19.1
119.04897	6.7
119.08582	51.4
121.06524	9.9
121.10145	24.3
123.04421	10.2
123.08078	9.5
123.11694	10.8
125.09623	12.3
127.03906	8.0
128.06192	4.5
129.07007	17.2
131.08582	32.2
133.06490	8.5
133.10120	46.1
135.08035	14.1
135.11665	12.3
137.09592	7.0
139.03911	4.1
141.06982	5.3
142.07776	3.3
143.08582	6.9
145.06487	4.8
145.10114	22.4
146.51424	3.0
147.08054	8.0
147.11707	33.1
149.09615	17.8
149.13243	9.5
157.10138	23.1
159.08041	4.4
159.11667	18.5
161.09619	4.3
161.13222	6.1
163.11163	14.0
165.12723	7.1
169.10072	5.6
171.11650	7.2
173.04485	10.2
173.13246	6.5
175.11139	15.1
177.12735	5.7
185.13274	4.7
189.12680	3.7
191.10681	3.1
193.12234	45.0
195.13792	3.3
197.13358	5.5
199.14821	3.8
211.13284	58.5
215.17882	3.0
227.12752	13.7
229.14372	4.2
229.19643	3.4
233.91335	3.0
239.18124	3.6
247.20677	5.5
257.18976	8.6
267.15915	39.7
269.17444	13.4
270.17581	4.2
275.01968	3.0
275.20071	60.7
285.14099	3.9
285.16983	59.8
291.19641	3.6
293.20999	7.4
331.22620	3.3
349.23706	43.0
367.24826	4.1
381.22946	4.8
424.27615	11.0
429.21039	7.2
449.29575	4.0
461.28806	10.5
479.29922	23.4
541.35175	22.5
559.36261	54.0
577.29175	3.7
577.37402	35.9
623.34100	9.6
685.38348	6.8
703.40149	5.0
721.41266	8.3
739.39343	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	739.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09012	0.2
53.03942	2.8
55.01871	1.9
56.71415	0.2
57.03421	0.8
65.03928	0.7
67.01858	0.9
69.03075	0.4
69.03424	5.1
69.59759	1.9
71.04962	0.5
79.01841	0.8
81.03408	40.0
83.01318	0.6
83.04967	0.4
85.02466	0.3
85.02896	2.6
86.78749	0.3
92.99772	0.6
93.03359	0.4
95.01315	2.5
97.02896	2.4
98.21535	0.3
99.00810	1.2
99.04442	1.5
101.02369	0.6
107.01332	0.3
108.02070	0.5
109.02867	23.2
111.00755	0.3
111.04439	0.6
113.02361	1.0
117.01869	0.4
119.01282	0.9
121.02872	1.6
123.00780	1.7
125.02353	0.4
127.03902	5.8
137.02328	1.1
139.03886	0.7
141.01822	1.5
147.00766	0.5
147.04311	0.3
149.02307	1.6
151.00229	1.4
153.01820	0.6
154.99753	0.5
163.03847	0.6
165.01819	6.1
166.99765	0.6
167.03384	3.6
169.01323	0.7
176.01025	0.2
177.01787	0.7
178.99669	0.4
181.01326	0.6
182.99361	1.3
183.02856	0.5
189.01836	0.4
191.03398	0.8
192.00449	0.3
193.01305	43.2
194.01698	0.7
194.99205	0.5
195.02824	1.6
197.00830	0.6
201.01825	0.6
202.99760	1.7
203.03395	0.9
205.01274	0.9
209.00797	0.3
211.02365	2.2
217.01320	0.8
219.02921	2.0
221.00780	100.0
222.01083	1.0
227.03426	0.3
229.01338	0.6
231.02864	2.3
235.02364	0.3
239.01828	7.7
243.02740	0.4
245.00841	1.9
247.02344	8.4
257.00681	0.8
257.02936	3.7
259.02365	1.3
261.04034	0.3
263.01874	2.0
267.01361	0.6
269.04306	0.3
271.02280	0.6
273.00287	2.1
273.03513	0.5
274.00870	0.3
275.01834	6.0
275.04904	0.3
277.03470	0.5
285.00146	0.4
287.01852	1.1
289.03384	0.5
291.01370	0.8
295.02249	0.3
301.03271	1.4
302.00452	0.4
303.01285	7.2
304.01465	0.3
311.01910	0.3
317.02789	0.5
319.00818	1.1
319.04309	0.4
327.01389	0.4
329.03012	0.4
347.03891	0.9
351.00742	0.3
355.06406	0.4
357.02194	0.4
365.05035	5.6
383.06110	2.5
387.03397	0.2
401.05264	0.4
403.02881	0.5
415.02887	0.4
419.06085	2.5
429.04813	0.5
431.02444	1.5
447.05630	1.9
449.03452	2.6
459.01843	2.8
467.04324	0.3
477.02963	8.7
495.04114	1.8
513.04993	0.8
539.03900	0.3
575.06354	0.8
585.04462	0.7
593.07880	1.6
602.96460	0.5
603.06073	7.8
621.07135	18.0
622.07526	0.6
639.08191	59.7
640.08661	1.6
640.17377	0.3
687.44580	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
55.01873	2.0
57.03421	0.7
63.02364	0.4
65.03934	0.6
67.01849	0.7
68.07804	0.2
69.03422	6.6
71.04989	0.7
71.59275	0.2
71.59700	0.4
73.02920	0.2
79.01833	1.1
79.31350	0.2
81.03412	42.4
83.01321	0.7
83.04986	0.3
84.04498	0.2
85.02896	2.4
92.99776	0.7
93.03401	0.6
95.01326	2.2
95.04946	0.2
97.02885	2.7
99.00794	0.9
99.04461	1.4
101.02362	0.6
108.02084	0.4
109.02873	24.4
110.03107	0.2
111.00810	0.5
111.04443	0.7
113.02379	0.8
117.01852	0.3
119.01306	1.0
121.02839	1.6
123.00770	1.7
123.04403	0.3
125.02352	0.8
127.03910	6.1
129.01848	0.2
132.11603	0.2
135.15303	0.2
137.02301	1.3
139.00189	0.4
139.03914	1.0
141.01831	1.6
146.73283	0.2
147.00787	0.8
148.01588	0.3
149.02336	2.3
151.00244	1.9
153.01819	0.7
163.03847	0.3
165.01828	7.5
166.99823	0.5
167.03389	4.0
168.00484	0.3
169.01331	0.9
173.05826	0.2
175.00301	0.3
176.00984	0.4
177.01784	1.4
178.99652	0.3
181.01288	0.9
182.99297	1.3
183.02887	0.5
187.03960	0.4
189.01781	0.4
191.03363	0.6
192.00613	0.3
193.01312	46.8
194.01657	0.6
194.99196	0.3
195.02922	1.3
197.00745	0.6
201.01862	0.6
202.99695	2.1
203.03381	1.4
205.01294	1.5
207.02818	0.4
209.00827	0.5
211.02371	2.8
217.01360	0.8
219.02863	2.0
221.00789	100.0
222.01070	1.3
227.03409	0.3
229.01340	0.6
231.02852	2.3
235.02341	0.3
239.01828	7.9
243.02876	0.4
245.00838	2.1
245.04378	0.3
246.01572	0.3
247.02370	9.4
249.03833	0.2
255.02931	0.5
257.00616	0.7
257.02896	2.8
258.01651	0.2
259.02341	1.9
261.03775	0.3
263.01828	1.9
267.01208	0.5
269.04443	0.3
271.02435	0.6
273.00287	2.1
273.03918	0.6
274.01178	0.4
275.01825	5.7
276.41333	0.2
277.03467	0.7
283.02460	0.4
285.00140	0.4
287.01855	0.9
287.05478	0.3
289.03375	0.6
291.01273	1.1
295.02463	0.3
301.00125	0.4
301.03204	1.2
302.00467	0.2
303.01303	7.0
304.01575	0.2
312.99805	0.3
313.03415	0.5
315.01340	0.2
317.02982	0.3
319.00812	1.2
319.04276	0.4
327.01340	0.5
329.03055	0.4
331.88858	0.3
341.03186	0.3
345.02335	0.3
347.04013	0.9
355.06650	0.3
357.02399	0.5
365.05038	4.8
369.02185	0.4
375.03476	0.5
383.06128	1.4
387.03406	0.6
403.02731	0.5
419.06076	2.4
429.04434	0.6
431.02448	1.2
437.57495	0.3
447.05685	1.9
449.03342	2.8
459.01910	2.9
467.04660	0.3
477.02942	7.0
478.03448	0.3
495.04083	1.5
513.05084	0.8
575.06329	0.7
585.04907	0.7
593.07654	1.3
603.06110	6.5
621.07166	16.3
622.07355	0.4
639.08203	49.5
640.08466	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.4
53.43465	1.1
55.01873	1.8
55.05520	11.3
57.03451	5.9
57.07043	1.4
60.11759	1.1
65.03931	2.1
66.74080	1.0
67.05501	46.3
69.07076	9.2
70.67111	4.5
73.02912	1.5
77.01183	1.3
79.05489	50.8
79.87468	1.1
81.03410	2.5
81.07053	39.8
83.04979	7.2
83.08646	6.5
83.09052	1.4
85.06557	1.9
91.05479	27.4
93.06474	2.5
93.07044	45.5
95.04971	10.6
95.08605	28.0
97.02951	1.5
97.06508	2.1
97.10139	2.0
99.08066	1.5
99.36122	1.2
105.07028	23.1
107.04951	3.7
107.08595	13.7
109.06509	4.6
109.10146	9.1
115.05506	1.8
116.04757	1.2
117.07040	6.6
119.08579	15.1
121.06467	1.9
121.10146	8.1
121.10874	1.4
123.08021	2.4
129.07010	6.3
129.78004	1.2
131.08548	4.2
133.10115	7.2
135.11693	4.8
143.08553	5.4
143.09566	1.2
145.10091	8.2
147.08098	1.3
147.11688	16.4
149.13316	1.7
152.77907	1.2
159.11671	2.8
161.09604	1.6
161.13264	5.8
163.14821	1.8
171.11671	10.7
173.13271	1.6
189.12703	4.5
192.22281	1.2
207.13818	11.8
242.51102	1.5
261.22147	3.6
262.06812	1.3
279.15860	2.3
281.17496	30.5
305.17081	1.3
335.25787	41.5
336.26358	1.9
449.33826	1.7
541.38885	100.0
542.39185	7.4
559.39807	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.1
56.05030	0.5
57.03434	0.1
57.07068	0.2
58.06629	0.5
60.08159	6.3
61.85971	0.1
67.05494	0.3
69.07071	0.1
69.54076	0.8
70.06580	0.1
70.41977	0.1
71.07368	3.1
71.08619	0.1
79.05505	0.1
81.03413	0.3
81.07055	0.3
81.22280	0.1
83.08613	0.1
86.09699	30.5
86.43093	0.1
87.10036	0.2
93.07033	0.1
95.08598	0.1
96.36167	0.1
98.98456	2.4
104.10733	2.1
105.07025	0.2
105.97108	0.1
106.36854	0.1
109.10118	0.1
124.99995	20.1
133.10091	0.2
143.01021	0.3
166.02692	0.2
184.07326	100.0
185.07635	0.5
267.15799	0.3
300.43021	0.1
309.70987	0.1
313.27307	0.3
372.47916	0.1
458.36435	0.1
496.33667	0.2
505.38669	0.2
560.24585	0.1
597.47900	0.1
631.86743	0.1
688.45367	11.2
689.44946	0.3
689.56409	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	738.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.4
55.05509	17.2
57.03435	13.0
59.05010	1.1
65.03944	1.8
67.05501	28.9
67.40241	0.8
67.52837	0.7
69.03426	6.7
69.07062	8.3
71.01365	1.0
71.04991	6.8
72.60583	0.7
73.02935	0.9
73.06565	0.7
73.48930	0.9
79.05489	30.8
80.04490	0.7
81.03413	100.0
81.07050	38.4
82.03699	0.7
83.04976	24.3
83.08617	30.9
85.02900	27.5
85.06544	2.9
91.05478	46.6
93.07039	26.3
95.04963	36.5
95.08597	13.8
97.02892	7.0
97.06519	5.8
97.10170	6.2
98.20736	2.1
99.04456	1.5
99.08112	2.2
105.07025	36.0
106.07358	0.7
107.04945	12.2
107.08575	10.6
109.02876	2.9
109.06519	7.9
109.10152	6.4
111.04442	6.5
111.08075	12.6
113.05983	2.5
115.05455	2.8
117.06998	4.5
119.04941	1.2
119.08574	27.9
121.06498	2.2
121.10140	12.4
123.04458	2.3
123.07317	0.8
123.08028	4.4
123.11720	2.7
125.06002	1.0
125.09643	3.3
127.03923	3.5
127.07577	1.5
128.06267	1.3
129.05534	1.6
129.06992	16.8
131.04892	1.1
131.08563	18.1
133.06459	4.5
133.10123	18.7
135.08047	1.3
135.11716	2.2
136.04604	0.7
137.05917	0.9
137.09641	2.8
139.03888	1.3
142.07774	4.4
143.08553	1.3
145.06508	1.7
145.10089	3.9
147.04391	1.5
147.08044	5.5
147.11678	22.2
149.05922	0.8
149.09627	10.4
151.11227	1.0
153.01830	5.3
157.10118	22.2
159.11635	1.0
160.86966	0.9
161.09654	0.9
163.11224	2.4
165.12732	4.8
169.08679	0.8
173.04567	0.8
175.11179	21.6
189.11171	1.5
191.10805	0.8
193.12238	58.1
197.13196	0.8
206.24245	0.7
211.13275	62.6
212.13681	1.1
212.68419	0.8
227.12839	2.3
229.14296	2.4
233.15442	1.1
249.14963	2.6
267.15903	84.6
268.16293	1.2
273.14819	1.8
283.15359	0.8
285.16956	41.1
301.14227	1.8
319.15427	1.2
320.44638	0.8
349.21713	2.0
355.17609	2.1
367.22583	4.7
385.23669	7.0
393.18988	1.1
403.24893	1.7
411.20279	2.1
429.21216	9.3
433.25809	4.6
441.26419	4.7
449.29431	1.1
459.27402	62.5
460.27682	1.1
477.28464	55.1
478.28860	1.2
495.29526	70.5
496.29764	1.8
573.29846	1.1
585.30560	2.4
603.31555	1.1
621.32684	6.9
635.33575	0.8
639.22992	1.3
639.33673	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	731.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.1
57.03432	2.1
57.80003	0.6
61.02918	4.9
67.05505	5.4
69.03431	2.7
69.07059	1.4
71.04975	0.8
71.35435	1.2
73.02911	3.9
79.05499	2.8
81.03421	1.2
81.07061	5.8
83.08629	1.5
85.02895	5.6
91.03947	4.7
91.05479	2.2
93.07047	4.2
95.08620	3.1
97.02895	4.4
97.06551	0.7
99.04456	1.7
101.02396	2.4
105.07037	1.3
107.08599	2.5
109.02866	1.0
109.10178	2.3
115.94485	0.5
117.07063	0.8
121.10159	2.0
127.03929	2.1
131.08597	0.7
133.10170	0.8
135.11702	2.0
149.13287	1.8
164.66025	0.6
185.04147	0.7
195.13802	0.6
208.25975	0.6
224.49625	0.7
235.13033	1.3
243.08444	2.1
297.06598	0.6
425.58084	0.6
453.20953	5.5
519.29346	6.8
731.43359	100.0
732.43951	6.7
759.88342	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34668	0.2
51.81715	0.2
53.03944	0.6
55.05498	0.9
55.70955	0.2
57.00315	0.2
57.03432	1.7
57.07064	0.3
61.02924	4.5
67.05501	4.8
67.05830	0.5
69.03416	2.5
69.07059	1.6
70.03564	0.5
70.03960	0.6
70.71243	0.2
71.01347	0.4
71.04978	0.7
73.02916	3.2
79.05491	2.8
81.03408	1.0
81.07059	6.2
83.04989	0.5
83.08611	1.0
84.21140	0.3
85.02895	4.1
87.04423	0.3
91.00597	0.2
91.03946	3.1
91.05471	1.5
93.07040	4.1
95.04992	0.3
95.08602	3.1
97.02888	3.7
97.06522	0.6
98.21401	0.3
99.04458	0.7
101.02368	1.5
103.03968	0.3
105.07043	0.8
107.08594	2.5
109.02890	0.8
109.10169	0.8
111.08058	0.4
115.03925	0.4
117.07005	0.6
119.08592	0.6
121.10152	1.7
123.11718	0.4
127.03935	0.9
129.05466	0.2
131.08588	0.9
133.10127	0.6
135.11693	1.0
149.13237	2.4
152.27602	0.2
159.11711	0.8
177.12834	0.4
185.04251	0.5
195.13814	0.4
203.05321	0.6
206.48389	0.2
235.13112	0.8
243.08337	1.8
261.27060	0.2
269.17551	0.4
291.15881	0.4
335.26044	0.3
420.70947	0.3
453.20920	9.0
454.21082	0.4
519.29315	4.0
520.30090	0.4
569.38055	0.5
731.43359	100.0
732.43677	13.1
732.56720	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	736.411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56799	1.7
53.03953	7.4
54.23625	1.8
55.01873	10.5
55.05509	19.1
55.13364	1.8
57.03445	15.7
61.02930	2.8
61.29203	1.7
63.54747	1.7
65.03923	2.9
67.05501	44.4
69.03432	13.0
69.07067	12.3
70.06576	1.9
71.04982	10.6
71.60509	3.5
73.02905	3.2
77.49870	2.2
79.05057	3.8
79.05492	49.4
79.05959	2.6
81.03413	82.3
81.07053	46.4
83.01343	4.4
83.04977	25.5
83.08619	29.6
85.02904	20.2
85.06542	3.5
86.09672	2.7
91.05476	50.6
93.07034	42.1
95.04967	36.3
95.08596	19.7
97.02892	14.5
97.06521	9.6
97.10159	5.6
99.04448	6.0
99.08073	3.2
105.07027	35.0
107.04959	29.0
107.08591	22.7
109.02888	10.0
109.06526	13.5
109.10167	11.4
111.04427	11.1
111.08067	9.6
113.05992	2.7
113.49755	2.2
117.06989	11.2
119.04945	2.9
119.08567	30.9
121.06532	6.7
121.10137	20.1
123.04420	5.7
123.08089	8.6
123.11742	2.9
125.06028	2.5
125.09624	3.5
127.03905	11.1
129.05490	3.7
129.06984	17.8
131.04936	3.4
131.08591	13.6
133.06487	7.4
133.10106	14.9
135.08067	2.8
135.11670	10.9
137.06010	2.6
137.09634	3.2
139.03850	2.7
142.07738	2.6
143.08600	2.7
145.06496	3.3
145.10115	19.1
147.04391	3.5
147.08055	5.4
147.11661	18.2
149.09610	8.3
153.01790	2.4
153.12733	14.3
155.08557	2.6
157.10156	14.6
159.08058	2.0
159.11800	2.4
161.06009	2.6
161.09572	3.6
163.11169	23.0
165.12743	4.2
167.40582	1.8
169.10147	1.9
171.11679	2.6
173.04475	2.0
173.09653	6.2
174.67343	1.7
175.07452	1.9
175.11177	12.2
179.68311	1.8
181.12244	8.4
183.11765	2.3
184.07277	2.6
189.11205	2.2
190.06769	1.9
191.10699	9.4
193.12241	36.3
209.11705	8.8
211.13261	37.2
211.92957	2.0
223.13286	3.9
227.12769	16.0
229.14355	8.2
265.14340	10.8
267.15909	43.4
267.18585	3.3
268.16110	2.3
281.17599	2.0
283.15411	28.4
285.16925	33.9
297.16986	3.2
301.16632	2.7
302.96442	1.7
353.15936	5.9
355.17722	2.3
383.22073	3.7
401.23102	3.1
407.24316	3.1
421.25998	9.2
427.19598	34.9
429.21176	3.3
457.25937	10.4
461.29001	4.5
471.27441	4.7
475.26947	45.3
476.26556	2.4
489.28568	13.4
493.27954	100.0
494.28363	3.6
507.29376	6.2
511.28854	2.4
601.29730	2.5
619.31091	13.6
637.32172	64.7
638.32483	4.9
655.33087	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	731.16
Annotation	CHEBI:75660
Peak:m/z	Relative Intensity
51.02367	1.1
53.03938	0.7
55.01860	2.4
65.03934	2.8
67.01858	0.9
67.05491	1.5
68.99785	7.9
69.03429	0.4
71.60082	0.8
77.03903	0.9
79.01855	1.2
79.05456	0.9
81.03403	2.7
89.03918	1.1
91.05476	1.0
93.03388	1.5
95.04954	2.9
96.15189	0.4
97.02845	0.8
99.04433	1.2
101.05425	0.5
103.05473	0.8
105.03364	1.0
105.07057	0.4
107.04942	4.6
109.02870	3.0
111.00794	3.9
111.04438	12.3
115.05490	0.4
117.03356	1.5
119.04948	1.3
121.02853	2.3
123.04419	100.0
124.04780	0.7
127.03908	80.8
129.06984	0.6
131.04910	2.9
135.04408	58.7
137.02330	7.8
137.05980	1.1
139.03893	81.7
140.04280	0.8
141.06989	0.6
143.03383	1.7
145.02838	0.5
145.06499	1.2
147.04407	8.3
149.02327	11.5
149.05942	2.6
151.03893	36.6
153.01814	12.2
153.02768	0.4
155.04887	1.3
157.06502	1.0
159.04431	3.4
161.02167	0.7
161.05977	3.4
163.03896	43.9
165.01837	0.7
165.05466	5.2
167.03395	8.3
169.06511	1.7
173.05946	4.2
175.03868	4.7
175.07483	0.7
177.05455	5.3
179.03380	6.7
181.04982	0.9
181.06456	1.0
183.04381	1.0
185.05998	2.2
187.03883	6.7
187.07445	0.9
189.05463	4.7
191.03368	15.6
193.04951	4.5
197.05975	4.1
199.07794	0.5
200.04718	0.6
201.05463	9.6
203.03381	15.1
203.07048	2.0
205.04927	3.8
207.02829	0.5
207.06564	0.5
213.05501	3.1
215.03389	2.1
215.06937	2.7
217.04980	3.4
219.06525	0.7
223.02470	0.7
225.05449	2.4
227.03358	1.2
227.07062	0.7
229.04953	9.6
231.06480	8.1
233.04401	7.8
241.04947	2.6
243.06522	6.1
245.04428	10.7
247.06010	32.4
251.05363	2.5
253.04964	1.3
255.06516	2.6
257.04443	15.7
258.05112	0.6
259.06000	19.7
259.08755	1.0
261.07559	8.0
269.04404	7.4
271.06000	26.3
272.06470	0.6
273.07571	6.6
275.05463	17.6
279.06631	0.5
283.05997	8.4
285.07404	2.3
287.05472	30.9
288.05966	0.5
289.07047	45.3
290.07452	0.6
291.08572	2.6
295.05975	0.7
297.07401	0.9
299.05478	4.4
301.07050	20.4
303.08560	1.7
311.05362	0.7
313.07196	0.6
315.08792	2.3
325.07062	0.8
333.09415	0.5
345.07605	0.5
379.08420	0.9
391.08075	3.6
393.09793	2.4
396.11057	0.6
409.09158	33.7
410.09546	0.8
421.09082	3.1
427.10245	9.2
435.10672	1.6
439.10242	1.9
443.09735	1.2
448.70834	0.4
543.13129	1.3
561.10858	1.3
563.11926	1.1
579.11108	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	730.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33387	0.1
55.05495	0.2
56.05032	0.7
58.06302	0.1
58.06617	0.4
59.07383	0.1
60.08158	7.0
67.05494	0.5
68.63159	0.1
69.07062	0.2
70.06588	0.2
70.54103	0.3
71.07365	3.4
79.05479	0.3
80.97392	0.1
81.07060	0.4
83.08557	0.1
86.09698	32.9
87.10020	0.4
91.05471	0.2
93.07030	0.3
95.04968	0.1
95.08607	0.2
98.98454	3.1
98.99113	0.2
104.10735	2.5
105.07034	0.2
107.08576	0.1
109.10133	0.1
116.99479	0.1
119.08539	0.1
124.99992	21.8
126.00365	0.1
143.01047	0.5
147.11736	0.1
160.65610	0.1
166.02711	0.3
184.07323	100.0
185.07677	1.0
257.57788	0.1
335.25711	0.1
489.35645	0.1
520.33820	0.2
598.51648	0.1
730.46472	7.8
731.46777	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1597
Annotation	CHEBI:75660
Peak:m/z	Relative Intensity
51.02376	0.5
53.03941	0.4
55.01862	1.6
55.39961	0.3
65.03950	0.8
67.01858	0.9
67.05501	0.6
68.99783	5.5
70.15077	1.6
77.03912	1.0
79.01842	0.6
79.05481	0.8
81.03409	2.5
83.04993	0.4
89.03899	1.1
91.05470	0.6
93.03386	0.5
95.04967	2.0
98.21494	0.3
99.04453	0.9
103.05472	0.7
105.03381	1.2
107.01294	0.4
107.04950	3.3
109.02882	2.8
111.00789	3.6
111.04427	3.8
115.05420	0.4
117.03394	0.5
117.07050	0.4
119.04935	1.2
121.02853	1.7
123.04419	91.9
124.04750	0.6
125.02377	0.6
127.03906	100.0
128.04253	0.4
129.07014	0.5
131.04903	2.2
133.06479	0.4
135.04404	34.6
137.02339	4.5
137.05959	1.0
139.03889	47.3
140.04207	0.6
141.06949	1.4
143.03378	0.7
143.04903	0.9
145.02815	0.6
145.06467	0.8
147.04398	6.8
149.02332	5.8
149.05995	1.5
150.03038	0.4
151.03889	17.3
153.01819	12.0
153.02797	0.4
153.07004	0.6
155.03539	0.3
155.04895	0.7
157.06496	0.8
159.04413	3.6
161.02336	0.5
161.05992	3.0
163.03899	39.0
164.04597	0.4
165.01781	0.4
165.05469	4.3
167.03387	9.0
169.06477	1.9
171.08125	0.4
173.05978	2.9
175.03900	4.1
175.07475	0.5
177.05472	4.9
179.03395	4.3
181.04910	0.8
181.06456	0.8
183.04396	1.6
185.05966	1.2
187.03867	6.9
187.07521	0.7
189.01939	0.3
189.05470	4.3
191.03386	13.7
193.04939	4.7
197.05971	4.1
199.03893	0.5
199.07532	0.4
200.04691	0.5
201.05458	8.6
203.03386	12.3
203.06918	1.9
205.04941	3.4
211.07449	0.3
213.05463	2.0
215.03435	1.5
215.06987	3.1
217.04906	2.2
219.06461	0.9
225.05350	1.5
227.03476	0.5
227.07018	0.4
229.04951	8.8
231.06493	2.2
233.04451	7.2
237.05447	0.8
241.04907	1.8
243.06490	5.0
245.04428	8.7
247.06009	23.9
251.05434	1.8
253.04958	1.4
255.06477	2.7
257.04431	11.4
257.06628	0.2
258.05017	0.7
259.06000	11.0
261.07584	1.2
265.04950	0.4
269.04446	5.6
270.04828	0.3
271.06000	20.8
272.06503	0.3
273.07581	6.6
275.05472	15.9
279.06439	0.5
281.04395	0.3
283.05988	8.3
285.07443	1.8
287.05475	26.6
289.07056	16.1
291.08624	3.0
295.06033	0.8
297.07507	1.3
299.05527	4.1
301.07043	15.0
303.08490	0.7
307.06192	0.5
311.05560	0.8
313.07205	0.4
315.08521	1.1
323.09256	0.3
325.06940	0.6
334.46570	0.3
367.08130	0.3
391.08060	3.0
393.09662	2.3
409.09174	28.8
411.10452	0.8
417.09689	0.6
421.09155	2.5
427.10214	4.8
433.09497	0.3
435.10693	1.9
439.10129	1.0
443.09576	1.6
543.12640	0.8
549.22314	0.3
561.10663	1.2
563.12372	1.4
579.11389	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	729.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
54.33494	0.2
55.01857	0.4
55.05489	1.1
57.03436	1.8
57.69032	0.3
59.04986	0.7
61.02642	0.3
61.02922	4.1
61.21602	0.3
65.03930	0.2
67.05506	2.3
69.03414	2.6
69.07039	0.7
70.06586	0.7
71.01330	0.4
71.04978	1.6
71.34824	0.2
71.35158	0.5
73.02910	3.2
75.10635	0.2
77.97720	0.2
79.05484	2.6
80.05818	0.2
81.02973	0.4
83.04973	1.3
83.08608	1.4
85.02896	5.6
85.06552	0.3
87.04465	0.6
91.03950	2.7
91.05467	3.8
93.07031	2.0
93.35805	0.2
95.04953	2.8
95.08611	1.2
97.02885	4.3
97.06518	0.8
97.10161	0.3
99.04438	1.0
99.08042	0.2
101.02384	1.9
103.03922	0.6
105.07021	2.6
107.04948	2.1
107.08588	1.1
109.02863	1.0
109.06511	0.6
109.10134	0.6
111.04451	0.5
111.08062	0.9
115.03931	0.4
115.05378	0.3
119.04910	0.3
119.08569	2.1
121.06460	0.4
121.10130	2.2
123.04424	1.3
123.08038	0.3
123.11684	0.3
125.09624	0.3
127.03900	1.4
129.07011	1.2
131.08577	1.8
133.10146	1.6
135.08080	0.3
137.09567	0.3
139.03926	0.8
142.07755	0.5
145.04959	0.3
145.10121	0.7
147.04417	0.4
147.08054	0.3
147.11676	2.3
149.09621	1.7
151.03876	0.3
153.01801	0.4
153.40433	0.2
157.10117	2.1
167.10710	0.3
175.11172	1.7
177.05496	0.5
184.07507	0.3
185.04176	0.4
193.12233	3.1
197.15414	0.3
203.05304	0.7
211.13327	1.0
225.14909	0.6
243.08395	2.8
249.14911	0.3
251.12546	1.1
253.14093	0.3
267.15833	1.2
273.07492	0.3
283.15143	4.8
283.18106	0.4
285.17029	0.4
307.15121	0.4
339.17770	0.9
390.94922	0.3
418.18271	0.3
441.20929	0.4
469.20392	12.6
470.20831	0.3
501.23004	11.4
502.23203	0.3
559.67285	0.3
567.31488	0.8
729.36542	100.0
730.36682	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	730.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.1
56.05030	0.6
57.03411	0.1
58.06614	0.5
59.07377	0.1
60.08159	5.9
62.69869	0.1
67.05495	0.3
69.07059	0.1
69.36243	0.7
70.06575	0.2
71.07365	3.2
79.05484	0.3
81.03410	0.1
81.07056	0.3
86.09697	29.2
87.10038	0.2
91.05451	0.1
93.07047	0.1
95.08608	0.2
96.05287	0.1
98.20647	0.1
98.98446	2.9
104.10731	2.2
105.07030	0.1
109.10128	0.1
116.99483	0.1
124.99992	19.6
126.00279	0.1
143.00998	0.5
149.67694	0.1
166.02611	0.2
180.25534	0.1
184.07323	100.0
185.07671	0.8
231.00635	0.1
287.68469	0.1
468.23572	0.2
472.03174	0.1
604.73022	0.1
655.85236	0.1
730.46417	5.9
731.46851	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
53.04836	1.5
55.05289	1.7
55.05508	14.8
57.03433	10.9
57.07077	2.4
65.03920	2.7
67.05503	57.2
67.60013	1.5
69.07075	17.2
69.49676	13.6
71.04974	6.9
79.05489	30.5
81.07057	82.0
83.04964	3.2
83.08617	13.2
85.06538	3.1
91.05470	28.9
93.07042	40.9
94.83028	1.5
95.04955	6.2
95.08604	75.4
97.06538	8.3
97.10168	4.8
99.08073	4.5
105.07034	18.4
107.08606	21.7
109.06547	1.7
109.10154	19.5
111.08093	1.9
112.98642	1.9
117.06989	5.0
119.08582	21.9
121.06500	2.6
121.10146	18.2
123.11684	5.3
131.08583	9.1
133.10127	18.5
135.11691	13.0
137.09671	2.9
137.13261	5.0
145.10110	5.8
147.11647	5.8
149.13245	6.1
156.93286	1.9
157.10127	3.8
159.11676	6.3
160.44647	1.5
161.13246	20.5
163.14787	3.1
173.13266	3.0
175.14867	1.9
177.16356	1.7
179.14285	17.7
184.07225	2.8
197.15288	1.9
201.16429	1.8
243.21198	3.9
253.17946	17.5
261.22137	12.2
271.19046	42.3
304.68085	1.8
317.24542	2.0
327.15869	2.4
335.25790	100.0
336.26245	2.2
337.27325	2.4
353.27008	2.8
439.35684	1.9
513.39276	6.5
531.40430	61.8
532.40540	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	729.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60051	0.4
53.03937	0.6
55.01869	1.0
55.05487	1.1
57.03432	2.3
57.07058	1.4
58.97248	0.5
61.02915	3.7
67.05494	3.0
69.03432	2.6
69.03743	0.6
69.07069	0.8
71.61086	0.4
73.02888	1.9
79.05478	2.2
81.07046	2.7
83.01086	3.6
83.04971	0.9
83.08610	0.8
83.89069	0.4
85.02898	5.1
87.04472	0.7
91.03956	3.8
91.05475	1.4
93.07014	2.5
95.01092	2.1
95.04948	0.7
95.08590	1.4
96.01849	1.4
97.02901	3.6
97.10175	0.8
99.04442	1.2
99.08052	0.5
99.13264	0.4
101.02365	1.6
105.07027	1.1
106.07285	0.4
107.04951	0.7
107.08572	1.6
109.02828	1.2
109.06512	0.5
109.10161	1.6
113.02081	0.7
115.03940	0.4
117.05476	1.4
119.08572	1.0
121.02579	1.3
121.06483	0.5
121.10091	0.8
123.04272	1.5
125.09606	1.2
127.03855	2.2
127.11167	0.6
129.05475	2.5
129.06967	0.6
131.04834	0.6
131.08514	0.6
133.10149	0.9
135.04288	0.5
135.11668	1.1
137.05913	0.6
137.09656	0.4
139.03671	1.5
141.13907	0.4
145.04930	0.8
145.10109	1.1
147.04366	1.2
147.11688	0.9
151.03842	0.7
153.01805	0.6
155.03081	0.5
156.03836	0.6
157.04745	0.7
159.11514	0.4
163.11217	1.1
165.06783	0.5
167.03178	1.5
167.06984	0.5
169.04636	0.6
173.09535	0.5
175.10963	0.5
181.04657	2.7
184.03394	1.3
185.04192	9.1
185.05780	0.6
186.04735	0.5
191.10609	0.8
193.04669	0.8
195.06294	0.9
199.05713	1.2
199.09492	0.5
199.13303	0.9
201.03687	5.5
201.14902	0.6
203.05223	1.1
205.12050	1.0
207.06334	0.5
207.13623	0.6
209.07986	0.5
209.11572	1.0
211.05742	0.9
221.11421	0.8
223.13011	0.7
224.21318	0.4
227.05313	0.9
227.12643	0.7
239.05171	0.7
241.06799	0.9
243.08356	7.1
249.10939	2.5
251.12517	1.1
259.08032	1.1
263.12680	0.5
265.14105	0.9
267.12000	1.0
267.15863	0.6
269.17438	0.6
277.14197	0.8
281.13583	0.8
283.15494	0.8
293.13586	1.9
300.07684	0.4
301.08920	23.8
302.09286	0.7
303.06903	0.4
307.15063	0.8
309.13034	0.5
313.08896	4.1
315.10501	6.2
317.08459	1.1
319.09998	0.7
327.10468	1.6
329.08350	0.5
329.12012	0.8
341.12012	1.9
343.09784	0.5
343.13568	0.9
355.13498	1.6
357.15253	1.5
365.15729	1.5
365.23303	0.5
369.15414	0.8
371.16861	1.3
372.22031	0.5
373.11014	5.9
375.16174	0.5
383.16751	5.0
385.11102	0.8
385.18280	13.6
386.18503	0.5
387.12415	1.6
389.10229	0.5
392.09189	0.5
397.18436	0.8
399.12610	0.8
401.13327	0.7
401.18307	2.6
403.12415	0.5
403.19226	0.4
411.16187	1.2
413.13403	0.7
413.18286	0.9
415.15848	0.6
423.19992	0.6
427.15585	0.7
429.17282	1.5
439.03445	0.4
439.19424	1.5
441.16962	0.6
443.18756	1.8
445.16711	0.7
449.24744	1.0
455.18954	2.2
457.20654	2.6
459.18130	0.6
467.18961	5.1
469.20404	2.5
471.21933	0.7
473.19812	3.2
483.22342	0.7
485.19598	4.1
487.21417	0.9
499.21298	2.0
501.22992	1.0
511.21365	1.9
512.21857	0.6
513.26733	0.5
525.26208	0.6
527.20953	17.8
527.27936	0.7
539.21045	0.8
541.09100	0.4
543.27484	1.1
557.22064	2.9
569.25079	0.5
571.23596	0.9
581.28802	1.1
583.30768	1.1
585.25415	1.2
595.30524	0.8
596.31488	5.9
599.29095	0.7
611.30267	12.8
612.30566	0.8
625.31946	0.6
627.29352	2.9
667.33197	2.1
669.30457	1.4
683.31451	0.6
695.32562	1.7
701.31171	0.5
711.31360	1.8
729.32697	100.0
730.33295	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	728.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.0
54.99066	1.0
55.01860	3.8
55.05490	3.9
57.03434	6.0
57.07060	1.7
61.02909	1.9
67.05500	29.8
69.03415	2.4
69.07063	9.7
69.67178	8.1
71.04984	2.9
79.05489	14.4
81.03403	2.7
81.07049	29.4
83.04967	4.3
83.08606	3.9
85.02877	1.7
85.06532	2.6
85.31275	1.1
86.09673	1.1
90.94753	1.1
91.05476	20.4
93.07037	18.2
95.04941	4.2
95.08595	13.5
97.06518	2.2
97.10151	1.6
99.04433	1.7
99.74815	1.1
105.07025	18.9
107.08598	22.6
109.06496	3.5
109.10152	35.2
117.06976	2.5
119.08576	3.4
121.10130	6.4
123.08088	1.7
123.11707	6.6
127.07550	2.3
131.08548	2.9
133.10124	44.6
135.08035	1.3
135.11671	4.9
145.10127	2.7
147.11671	1.9
149.13239	3.7
151.11186	21.1
159.11697	2.6
161.09599	1.9
161.13251	1.3
163.14726	1.3
169.12231	4.1
173.13274	1.3
184.07350	4.4
215.12746	2.6
220.29655	1.1
243.21053	2.9
253.14343	100.0
254.14633	1.7
261.22180	11.6
271.15387	31.9
279.23053	1.4
335.21982	2.1
335.25775	27.5
342.74002	1.3
394.02060	1.3
439.32120	1.2
457.32843	1.5
474.06018	1.2
507.34286	1.1
508.61362	1.2
513.35638	11.2
531.36841	36.7
532.36755	2.5
608.06042	1.1
662.38226	1.5
714.87195	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38091	0.9
53.03944	2.0
55.01873	3.2
55.05510	8.8
57.03438	8.7
57.07072	2.0
58.09991	1.0
61.02923	1.7
65.03946	1.7
67.05501	35.0
69.03420	2.6
69.07058	11.7
71.04995	3.2
71.60636	0.9
71.61034	1.1
74.09711	1.1
79.05484	17.7
81.03415	3.2
81.06573	2.1
81.07051	36.3
83.04984	3.8
83.08636	3.4
85.02905	3.8
85.06544	3.6
86.09705	4.3
91.05476	25.2
93.07037	24.7
94.91903	1.0
95.04974	5.4
95.08601	17.0
97.06531	3.5
99.04486	1.8
105.07014	20.9
107.04966	1.2
107.08591	24.5
109.06515	3.4
109.10154	42.5
117.06986	2.4
119.08580	6.1
121.10134	7.8
123.11710	7.3
125.00019	1.9
127.07510	1.6
131.08557	4.0
133.10127	48.0
135.11655	5.3
143.08545	1.6
145.10147	3.0
146.98288	1.2
147.11725	1.2
149.13278	1.8
151.11176	20.1
159.11685	1.8
161.09586	1.3
161.13245	1.7
163.14867	1.5
167.60402	1.0
169.12251	3.9
173.13319	1.9
184.07353	8.9
215.12849	1.8
243.21146	3.4
253.14339	100.0
254.14745	2.3
261.22073	7.6
263.49857	1.0
271.15393	24.5
279.23462	1.1
317.24780	1.6
335.25772	44.7
336.25800	1.4
363.93439	1.0
439.32538	1.2
457.33102	1.5
513.36023	8.5
514.36072	1.1
531.36755	47.4
532.37018	3.0
545.38226	1.6
569.92059	1.1
728.44501	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.3
55.01865	3.6
55.05260	1.6
55.05508	19.5
57.03434	16.8
57.07067	1.6
60.08152	5.0
61.02916	5.6
61.62788	1.0
65.03936	2.2
67.05502	48.1
68.90458	1.0
69.03415	4.1
69.07064	12.2
71.04985	5.6
71.07358	1.7
71.88119	1.5
73.02906	2.7
77.92896	1.0
79.05489	41.3
81.02918	1.0
81.03414	53.2
81.07050	54.5
83.04971	14.3
83.08615	20.8
85.02898	23.4
85.06543	2.7
86.09206	1.9
86.09700	25.5
91.03950	1.3
91.05479	37.5
93.07040	35.8
95.04955	22.3
95.08604	36.4
97.02905	5.3
97.06542	5.4
97.10155	4.9
98.21504	3.2
98.98451	2.1
99.08122	2.0
104.10705	1.6
105.07025	28.9
107.04961	7.5
107.08585	28.2
109.06504	4.9
109.10146	12.2
111.04425	2.4
111.08075	10.0
113.06005	3.0
117.07008	3.7
119.08578	24.3
121.06513	2.2
121.10141	17.3
123.08049	2.7
123.11691	3.5
124.99995	14.5
127.55872	1.0
129.07024	9.5
131.08556	15.1
133.06503	1.9
133.10117	18.0
135.11697	8.1
137.09596	2.5
142.07745	1.6
143.08542	1.1
145.10130	5.4
147.08041	3.0
147.11670	17.2
149.09636	5.7
149.13245	2.9
151.07611	1.2
151.11183	1.7
157.10120	11.0
159.11691	3.5
161.09618	1.0
161.13234	2.7
163.11230	1.9
165.12762	2.6
169.67953	1.2
173.13277	3.6
175.11160	12.0
184.07336	80.5
185.07619	2.1
185.13303	1.8
187.14827	1.5
193.12236	34.4
194.12634	1.5
211.13281	64.9
212.13434	1.0
227.12743	2.2
229.19458	2.0
247.20601	8.7
255.15826	1.6
267.15921	12.0
271.15396	2.0
285.16959	74.4
286.17197	2.8
303.23077	2.6
321.24231	72.6
322.24652	3.0
335.25684	2.9
404.07379	1.2
413.11691	1.2
419.72870	1.1
421.30920	2.1
513.35858	11.4
531.36798	100.0
532.36975	6.0
561.67303	1.3
728.45081	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	728.457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.01858	3.2
55.05514	25.9
57.03431	20.4
57.07072	4.8
60.08174	3.6
61.02921	4.5
62.37280	2.8
65.03931	6.0
67.05499	76.0
69.03426	4.8
69.07056	25.0
69.54270	18.7
69.54686	6.7
71.01348	9.1
71.04993	8.2
73.02899	3.8
74.20519	2.5
79.05492	76.2
80.79932	3.2
81.03426	6.6
81.07057	63.1
83.04977	13.8
83.08604	10.0
85.02908	4.8
85.06538	5.4
86.09697	28.3
86.42126	3.1
91.05479	72.9
93.07037	95.9
95.04957	13.5
95.08601	36.0
97.02907	5.5
97.06529	15.4
97.10165	13.6
99.08100	4.3
103.05469	3.3
105.07023	68.6
105.78433	2.8
107.04947	4.7
107.08593	65.1
109.06540	5.0
109.10139	18.9
117.07024	23.5
119.08575	71.4
120.08862	3.1
121.10141	32.5
124.99939	16.0
128.06169	3.1
129.06984	14.0
131.08551	25.6
133.10114	48.7
135.08105	3.4
135.11682	69.6
137.09621	3.3
142.07878	4.0
143.08583	11.7
145.10115	38.2
147.11687	42.9
149.09576	3.6
149.13283	8.1
155.08495	4.5
157.10112	11.9
159.11705	19.2
161.13242	35.1
161.65150	3.4
163.11174	13.1
167.08514	3.5
169.10088	4.0
171.11639	14.5
173.13289	13.2
175.14847	15.6
181.12238	14.6
184.07321	86.7
185.13283	11.2
189.12804	3.5
199.14825	5.4
203.14140	3.8
231.21048	5.4
235.73457	3.0
241.19528	35.0
253.14285	17.7
255.15877	100.0
259.20572	96.8
259.23300	4.6
260.20886	4.1
315.23059	7.1
333.24191	58.4
421.31067	5.4
439.32019	8.8
457.33099	4.3
495.35251	5.1
503.37112	3.8
513.35767	80.5
514.35754	4.7
531.36768	32.1
662.47797	3.4
728.44446	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	728.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34317	0.1
53.89394	0.0
55.05499	0.1
56.05029	0.7
58.06297	0.1
58.06616	0.4
59.07378	0.1
60.08155	6.2
67.05485	0.2
70.06554	0.1
71.07366	3.1
72.38698	0.0
72.95502	0.0
79.05484	0.2
79.64414	0.1
80.97396	0.1
81.03406	0.1
81.07040	0.2
83.08585	0.1
86.09694	30.9
87.10015	0.1
91.05471	0.2
93.07025	0.2
95.04979	0.1
95.08609	0.1
98.20695	0.1
98.98451	3.1
104.10728	2.3
105.07020	0.1
107.08579	0.1
109.10168	0.1
116.99434	0.1
119.08569	0.1
124.99987	21.8
125.67703	0.1
140.99432	0.0
143.01050	0.4
165.20950	0.1
166.02663	0.2
180.25771	0.1
184.07314	100.0
185.07677	0.5
357.40295	0.1
359.30466	0.1
468.23523	0.2
500.30994	0.1
531.36230	0.1
545.38281	0.1
693.16949	0.1
710.43921	0.1
728.44843	5.7
729.45221	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.1
56.05034	0.7
56.51724	0.1
58.06621	0.5
59.07391	0.1
60.08157	6.6
62.37980	0.1
63.88028	0.1
65.26382	0.1
67.05487	0.3
70.06583	0.1
70.33758	0.3
71.07367	3.5
77.06062	0.1
79.05473	0.2
81.07034	0.2
86.09698	32.1
87.10031	0.2
91.05463	0.2
93.07029	0.2
94.88698	0.1
95.08611	0.1
98.98455	2.8
104.10732	2.5
104.11410	0.2
105.07028	0.2
107.08591	0.1
109.10136	0.1
121.10168	0.1
124.99992	20.9
131.08459	0.1
133.10042	0.1
143.01035	0.5
166.02672	0.2
184.07321	100.0
185.07693	0.3
223.11198	0.1
450.22455	0.1
518.32642	0.1
647.56122	0.1
647.95605	0.1
710.44061	0.1
728.44885	7.3
729.44983	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.01878	1.3
55.05507	10.0
57.03434	10.3
57.07071	1.8
60.53049	0.4
61.02924	2.5
62.47523	0.3
65.03934	1.5
67.05500	43.4
68.05842	0.4
69.03424	0.9
69.07064	14.8
71.01332	0.3
71.04982	2.1
71.05511	0.8
71.08628	0.6
73.02915	1.1
77.03936	0.4
79.05487	28.6
80.05827	0.3
81.03424	0.9
81.07051	50.6
82.07378	0.6
83.04977	3.6
83.08614	7.6
83.58344	0.3
85.02896	2.4
85.06525	2.1
85.64516	0.3
91.03957	0.8
91.05474	14.8
93.07037	40.6
94.07366	0.7
95.04966	4.1
95.08598	26.6
96.08946	0.3
97.02881	1.5
97.06526	6.0
97.10175	1.3
99.04497	0.3
99.08088	1.4
105.04494	0.6
105.07022	8.2
107.08588	22.0
109.06483	1.6
109.10145	8.1
111.08073	3.3
111.11725	0.7
113.09675	0.8
117.07008	5.2
119.08563	5.2
121.06551	0.4
121.10134	15.2
122.10484	0.4
123.08055	1.0
123.11678	2.9
125.09614	0.4
129.07013	0.5
131.08563	8.3
133.10127	5.9
135.08012	0.6
135.11687	7.9
137.13243	0.6
137.79283	0.4
139.11227	0.6
143.08569	0.4
144.09329	0.4
145.10139	2.8
147.11656	2.5
149.09599	0.4
149.13246	16.9
150.13533	0.4
151.11150	0.5
157.10182	0.4
159.11688	8.5
161.13283	2.0
163.14828	1.1
165.12738	0.4
167.14316	0.7
173.13226	2.0
175.14867	1.1
177.12762	3.6
184.07362	0.5
185.13208	0.3
187.14828	1.1
193.47284	0.3
195.13808	6.1
201.16307	0.4
211.15024	0.3
213.14851	0.7
216.43753	0.3
233.22806	0.4
243.20999	1.9
253.18088	0.4
261.22113	8.0
261.24817	0.6
267.15967	1.8
269.17459	71.5
270.17783	2.5
299.23456	0.3
317.24643	1.4
324.23993	0.3
333.24445	0.5
335.25778	51.9
336.26166	2.4
423.86948	0.3
437.34109	1.3
455.35052	0.8
470.21268	0.4
473.35614	0.4
511.37866	0.7
529.38861	100.0
530.39203	7.2
547.39838	2.5
617.28851	0.4
651.50702	0.3
726.44800	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	726.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01867	1.1
55.05307	0.4
55.05508	11.3
55.05778	0.6
57.03151	0.5
57.03433	9.8
57.07071	2.2
57.20979	0.3
59.05003	0.5
61.02925	3.8
65.03947	1.8
67.05500	55.1
68.05865	0.4
68.86922	0.4
69.03418	1.4
69.07062	14.9
69.85408	0.4
71.04980	3.2
71.08606	1.0
73.02906	1.5
77.03962	0.4
79.05487	29.7
81.03403	2.7
81.07051	62.6
82.07388	0.4
83.04978	3.2
83.08616	12.5
85.02906	3.6
85.06545	2.9
86.53831	0.4
91.03956	2.0
91.05473	20.2
92.05804	0.4
93.00289	0.4
93.07037	44.4
94.07364	0.5
95.04961	4.2
95.08600	30.3
97.02881	2.4
97.03415	0.4
97.06528	5.4
97.10143	2.3
98.20708	0.9
99.04457	0.7
99.08090	1.3
105.07022	10.8
107.04926	0.4
107.08585	26.6
109.06532	2.2
109.10149	12.1
111.08080	2.7
111.11771	0.4
112.92986	0.4
115.05427	0.7
117.07005	7.0
119.08572	7.9
119.09360	0.8
121.06486	1.5
121.10132	17.0
122.10513	0.4
123.08036	0.9
123.11694	6.3
125.09633	0.4
127.03892	0.7
127.07538	0.5
131.08568	10.2
133.10120	14.0
135.08072	0.8
135.11688	12.9
137.09616	0.8
137.13229	1.2
139.11150	0.8
145.10097	4.4
147.11682	4.5
149.09621	0.9
149.13249	12.8
151.11163	1.4
157.10115	0.9
159.11681	8.4
161.13248	3.3
163.14816	1.7
165.12718	0.6
167.14264	0.5
171.11620	0.6
173.13249	3.3
175.14804	1.1
177.12729	2.9
177.16386	0.6
179.14319	0.7
185.13271	0.6
187.14862	1.5
195.13792	11.2
195.15471	0.8
197.13278	0.5
199.14812	0.7
201.16423	1.1
209.15100	0.4
213.14862	1.6
222.53897	0.4
243.21071	3.7
251.16425	0.9
259.20691	0.5
261.22116	10.2
267.15903	1.5
269.17456	76.8
270.17795	1.6
279.23279	0.6
299.23666	0.8
317.24719	2.2
335.25775	90.9
336.26056	4.1
350.13702	0.4
419.33197	0.9
437.34216	2.2
438.83972	0.5
455.35062	1.6
473.36639	0.6
511.37616	1.5
529.38855	100.0
530.39160	6.6
547.40155	2.8
638.27911	0.4
673.43176	0.5
691.43457	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84821	0.2
55.05499	0.3
55.33393	0.2
56.05034	0.6
58.06620	0.4
59.07385	0.2
60.08160	5.5
60.20328	0.2
67.05489	0.4
71.00883	0.6
71.07369	3.0
77.75628	0.2
79.05470	0.5
81.07044	0.4
82.25665	0.2
83.90373	0.2
85.20358	0.2
86.09699	30.5
86.32889	0.2
87.10022	0.2
91.05452	0.2
93.07030	0.3
95.08662	0.2
98.98451	2.7
104.10719	1.8
107.08596	0.2
120.49744	0.2
124.99997	20.0
143.01019	0.5
144.09782	0.2
155.50424	0.2
166.02588	0.3
184.07326	100.0
185.07697	0.9
224.33252	0.2
227.20000	0.5
228.20276	0.3
337.27066	0.2
580.42212	0.2
611.38776	0.2
648.34741	0.2
726.43445	4.4
727.43262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2278
Annotation	Apigenin 7-rhamnoside-4'-rutinoside
Peak:m/z	Relative Intensity
53.03913	0.1
55.01841	0.1
55.05479	0.1
57.03434	0.7
59.05008	0.0
63.47271	0.0
65.03926	0.0
67.01862	0.3
68.99779	0.4
69.03394	0.1
69.60081	0.1
69.60497	0.3
70.06561	0.1
71.01328	0.1
71.04988	4.4
73.02867	0.1
75.04473	0.3
79.05451	0.0
81.03396	0.1
83.04974	0.4
85.02898	5.5
87.04440	0.1
91.05454	0.2
95.04954	0.1
97.02876	0.0
99.04438	0.1
103.03954	0.1
107.04910	0.2
109.02872	0.1
111.04443	0.6
117.05446	0.0
119.04124	0.0
119.04938	1.0
121.02856	1.0
123.04413	0.8
127.03905	0.3
129.01799	0.2
129.05472	1.3
131.04884	0.0
135.04425	0.8
137.02324	0.1
139.03879	0.4
139.27678	0.0
145.02847	0.5
147.04391	0.6
147.06461	0.4
149.02325	0.0
149.05869	0.1
151.03864	0.1
153.01814	2.8
153.05412	0.1
155.04924	0.0
157.06465	0.1
159.04395	0.1
161.05951	0.1
163.03893	1.1
163.05344	0.1
163.05997	0.1
165.05486	0.0
171.02884	0.8
173.05980	0.1
175.03883	0.1
177.01991	0.1
177.05486	0.1
179.03383	2.0
180.03793	0.1
185.06010	0.1
187.03882	0.2
189.05463	0.1
191.03391	0.1
197.06010	0.1
201.05521	0.1
203.03375	0.1
203.06982	0.1
213.05396	0.1
215.07027	0.0
225.05373	0.2
229.04987	0.4
231.06438	0.5
231.08542	0.1
239.09155	0.1
241.05011	0.1
243.02634	0.1
243.06456	0.3
247.06143	0.3
253.04863	0.1
255.06213	0.1
269.04404	0.1
270.05212	0.1
271.05984	100.0
272.06308	2.5
272.09341	0.1
273.07504	1.2
275.11084	0.0
277.08582	0.1
283.06024	0.2
285.03958	0.1
295.06155	0.1
297.03998	0.1
299.05609	0.1
301.03607	0.1
301.06876	0.1
309.03918	0.1
309.07504	0.1
313.03433	0.1
313.06961	0.2
315.04813	0.1
323.05573	0.1
337.06952	0.1
339.05032	0.2
341.06451	0.2
347.09314	0.1
361.07092	0.1
375.08585	0.2
381.09689	0.1
393.09622	0.3
417.09473	0.3
421.09171	0.2
433.11267	1.2
435.10922	0.6
513.12024	0.1
555.13171	0.4
573.13824	0.1
579.17047	6.3
580.17480	0.1
719.18097	0.1
725.22351	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
65.03939	2.5
67.01850	1.4
67.05479	1.2
68.99781	11.9
70.06577	1.5
71.04980	3.4
71.60046	0.8
71.60418	0.9
79.05476	2.0
81.03399	2.0
83.04985	0.8
85.02895	5.0
89.03911	0.9
91.05463	3.1
94.09984	0.7
95.04969	4.2
97.02854	0.9
97.66473	0.8
99.04463	0.7
103.05456	1.2
105.03398	1.9
107.04953	7.7
109.02869	2.4
111.00785	1.8
111.04430	18.5
118.65749	0.7
119.04945	9.7
121.02869	23.3
121.06435	0.9
123.04417	81.2
124.59442	0.7
127.03902	25.4
131.04900	2.7
133.06480	1.0
135.04402	48.0
137.02364	4.0
139.03889	34.6
143.04895	0.9
145.06487	2.1
147.04399	47.8
149.05942	1.6
149.27768	0.8
151.03903	7.6
153.01826	10.8
155.04890	1.2
157.06462	1.7
159.04427	4.4
161.05960	4.0
163.03896	53.7
164.04253	1.0
165.05397	4.3
167.03406	1.9
169.06448	2.5
171.02867	8.6
171.04402	1.9
173.05956	4.5
175.03917	3.9
177.01921	1.0
177.05411	2.6
179.03383	100.0
180.03766	1.5
181.06516	1.0
183.04388	1.2
185.05972	3.2
187.03868	6.7
189.01868	0.9
189.05411	4.4
191.03380	12.8
193.05046	1.8
197.04292	0.9
197.05984	3.5
199.07614	1.1
201.01747	0.8
201.05385	5.2
203.03333	8.0
205.04871	2.3
207.06641	1.2
209.06085	1.5
210.21738	0.8
213.05461	2.5
215.03380	4.2
215.07022	2.5
217.04897	2.8
219.02957	1.7
221.06157	0.9
225.05466	2.7
227.03247	1.1
229.04933	7.9
231.02934	1.6
231.06464	26.0
233.04321	1.0
235.02509	1.0
237.05437	1.2
241.04988	2.4
243.02841	3.3
243.06401	3.6
245.04434	1.8
247.02264	1.0
247.03279	1.2
247.05997	22.9
249.05417	1.2
253.04971	3.0
255.02850	1.8
255.06377	3.8
257.04462	3.1
259.02533	0.9
259.06070	3.0
265.05084	1.5
267.03168	0.8
267.06503	2.1
269.04407	3.6
269.07498	0.8
271.05991	87.3
272.06384	1.0
273.07535	64.4
277.08585	2.0
281.04379	2.6
281.07938	1.1
283.02704	1.3
283.05838	8.4
285.03940	4.6
285.07593	6.5
287.05582	3.2
289.07214	3.2
291.08615	1.5
295.05893	4.3
297.03870	4.9
297.07474	2.4
299.05521	3.5
301.03680	1.4
301.06894	10.9
303.04977	1.5
303.08527	0.8
305.04700	1.1
305.08084	2.3
309.04044	5.0
311.05542	3.1
313.03342	3.6
313.07031	5.3
315.04990	4.8
315.08246	0.9
319.09610	1.1
321.03738	0.8
323.05441	5.8
325.03693	1.1
325.07239	1.6
327.04953	6.4
329.08041	1.2
333.06305	2.8
337.03412	0.9
337.07053	3.4
339.04971	10.4
341.06476	10.1
347.09137	5.9
349.07019	3.1
351.04865	3.1
351.08679	2.3
355.07932	0.9
361.06992	6.6
362.07367	0.9
363.08731	1.6
365.10199	2.3
375.08517	8.0
379.08243	2.8
387.09030	1.2
391.08218	6.8
393.09695	23.2
403.07980	4.2
405.09586	2.2
407.11490	1.2
411.10806	3.5
417.09680	14.3
421.09134	18.0
422.09601	1.1
433.09171	11.7
435.10895	35.9
436.10971	1.0
445.09393	3.5
447.10950	3.8
453.07480	1.0
457.09253	1.1
461.08939	3.7
491.09866	1.2
505.32202	0.9
513.11841	6.2
555.12842	40.1
556.12744	1.4
558.16772	0.8
567.12830	1.9
573.13873	7.7
579.17499	4.4
585.13660	1.6
673.59058	0.8
725.10748	2.6
725.23480	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01874	1.3
55.05513	10.4
57.03435	15.6
57.07075	1.9
61.02924	4.4
65.03944	2.2
65.94361	0.8
67.05502	47.6
69.03434	3.2
69.07061	11.3
69.26042	2.3
69.26466	8.0
71.04974	2.5
73.02911	1.4
79.05491	30.3
81.03415	71.6
81.07055	48.1
83.04973	5.2
83.08617	19.5
85.02905	4.2
85.06548	1.9
91.03962	1.7
91.05481	24.0
92.25831	0.8
93.07039	32.6
93.07628	1.9
95.04965	24.7
95.05551	1.4
95.08604	33.5
97.02888	4.2
97.06524	2.9
97.10174	6.0
98.20740	1.5
99.08089	1.1
105.06380	1.5
105.07032	18.8
107.04961	6.1
107.08594	20.2
109.06511	4.3
109.10153	18.3
111.04472	2.1
111.08060	6.1
115.05464	1.0
117.07022	5.4
119.04956	1.4
119.08581	18.3
121.06515	3.2
121.10143	19.7
123.04400	2.3
123.08078	2.8
123.11691	6.6
125.09617	5.1
129.06990	7.4
131.08563	14.7
133.06485	2.5
133.10130	10.2
135.08066	1.8
135.11674	12.3
137.05928	0.9
137.09671	1.9
137.13307	1.3
142.07771	1.2
143.08565	1.8
145.06482	0.9
145.10097	7.6
147.08093	3.3
147.11691	11.9
149.09631	4.0
149.13263	7.0
155.08597	1.5
157.10115	9.0
159.11668	7.9
161.09560	0.9
161.13274	3.8
163.11217	2.8
163.14804	3.9
165.12755	2.2
167.16872	0.8
171.11720	2.0
173.13260	5.4
175.11172	10.1
175.14815	2.0
177.12770	1.2
177.16483	0.8
184.07332	1.5
185.13277	1.1
187.14844	2.5
189.11217	2.7
189.16531	1.2
193.12248	21.9
201.16460	0.9
205.12219	0.9
211.13260	1.5
215.18059	1.0
227.12787	3.9
233.15410	1.0
233.22641	1.0
235.13315	2.4
243.21121	4.4
249.14873	2.5
259.13089	1.2
261.22119	18.3
267.15906	100.0
268.16104	1.6
273.14978	1.6
279.23190	2.1
301.14432	2.0
301.25070	4.4
303.23358	1.0
309.16910	3.2
317.24698	4.0
319.15408	1.1
335.25787	95.0
336.26212	3.2
350.66849	0.8
421.26041	2.1
435.27295	1.3
435.32602	2.9
449.28687	1.0
453.33762	6.5
471.34796	2.0
527.37323	56.3
528.37543	1.8
545.38367	31.5
546.38867	0.9
569.38318	6.7
623.39154	1.1
635.39746	1.2
704.52258	1.3
732.86932	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04539	0.4
55.01867	2.3
55.05262	0.7
55.05508	10.1
57.03185	0.6
57.03436	9.1
57.07072	0.5
61.02905	0.7
65.03938	0.9
65.96893	0.4
67.05497	15.0
69.03422	2.5
69.07062	3.7
70.04663	0.8
70.05070	1.7
71.04985	2.6
72.70120	0.4
73.02888	0.8
76.48525	0.4
77.03909	0.4
79.05486	14.7
81.03410	67.8
81.07048	16.5
82.03740	0.6
83.03002	0.5
83.04971	7.0
83.08611	18.7
85.02899	9.5
85.06523	1.4
91.05472	19.4
93.07037	10.6
95.04960	22.8
95.08591	5.9
97.02870	2.2
97.06542	2.4
97.10160	4.5
99.04432	0.5
99.08082	1.2
103.05488	0.8
105.07021	14.9
107.04935	7.3
107.08576	6.4
109.06504	4.7
109.10134	3.5
111.04439	2.1
111.08076	8.4
113.06017	1.5
115.05455	1.4
117.07002	2.8
119.04932	1.3
119.08576	13.9
121.06516	3.6
121.10134	6.8
123.04452	0.9
123.08064	2.3
123.11638	1.1
125.08799	0.7
125.09588	3.6
127.03892	0.6
128.06218	0.7
129.06990	9.7
131.04906	1.4
131.08556	8.4
133.06474	3.3
133.10124	6.0
135.08034	1.4
135.11615	0.7
137.05951	0.7
137.09607	1.7
141.06985	0.6
142.07758	2.2
143.08557	1.6
145.06505	3.3
145.10097	2.1
147.04327	0.7
147.08057	3.2
147.11681	10.7
149.09587	4.7
151.11169	0.5
153.09007	0.8
155.08525	1.1
157.06500	1.1
157.10112	11.1
159.11696	0.6
161.05980	0.7
161.09579	0.5
163.11206	1.6
165.12743	2.1
169.06534	0.5
169.10112	0.5
171.08037	1.5
171.11688	1.3
175.11159	10.8
177.12636	0.5
185.13332	0.7
187.11212	0.8
189.11226	1.3
189.12718	0.6
193.12225	30.8
194.12704	0.7
195.11757	1.1
197.13290	0.8
205.12146	0.6
211.13251	14.4
213.12752	0.6
215.14392	0.5
221.04079	0.5
223.13371	0.6
225.12793	0.7
227.12721	1.0
229.14328	1.2
231.13785	0.9
233.15302	0.8
237.12730	1.2
243.13638	0.6
249.14841	1.3
255.13800	2.3
259.13281	0.6
267.15894	100.0
268.16229	2.3
273.14813	4.8
276.38745	0.4
276.51959	0.4
285.16965	14.5
286.17371	0.5
287.16599	0.6
309.17105	0.7
323.19733	0.7
329.74857	0.5
339.23096	1.3
341.20981	1.0
349.21652	2.7
357.24249	0.7
367.22672	8.3
384.28525	0.5
385.23712	9.7
386.23987	0.5
403.24921	2.8
405.23972	1.1
415.24799	0.7
433.25830	17.5
434.26044	0.7
441.26343	7.4
459.27368	79.6
460.27689	4.0
475.26730	0.6
477.28452	46.5
478.28943	2.7
491.29980	0.8
501.28244	1.1
509.31201	0.7
519.29260	1.2
585.30249	1.0
603.31531	0.6
662.02338	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76528	1.6
53.03941	5.5
55.01869	4.5
55.05508	22.1
57.03437	10.4
57.07061	2.6
65.03897	4.1
67.05498	85.5
69.03422	12.0
69.07061	21.7
69.39821	16.8
71.04982	23.0
73.02902	4.9
73.55554	1.7
79.05485	40.7
81.03409	21.5
81.07048	100.0
83.04979	17.2
83.08606	10.6
83.42340	1.6
85.02896	5.4
85.06522	6.9
91.05473	35.5
93.07034	45.5
95.04938	10.6
95.08599	43.4
97.02873	9.1
97.06500	9.1
97.10156	5.0
99.04430	3.4
99.08064	2.5
105.07018	28.4
107.04958	3.6
107.08589	29.5
109.02837	4.6
109.06512	4.4
109.10150	20.8
111.04423	5.4
111.08052	5.1
117.06995	10.3
119.08557	15.1
121.10146	20.9
123.08121	2.4
123.11679	11.5
125.09642	2.3
127.03899	3.3
129.05457	6.7
129.07007	6.0
131.08577	14.9
131.26456	2.0
133.10115	23.2
135.11678	16.3
137.09683	1.5
143.08557	5.2
145.06474	1.8
145.10097	10.3
147.08038	1.9
147.11678	8.6
149.09619	3.4
149.13293	9.4
151.11188	4.4
153.12747	2.2
155.08507	3.2
157.10085	2.4
159.11662	11.4
161.13271	2.6
163.11230	3.1
165.12711	2.6
169.10112	3.2
169.12247	1.7
171.11688	4.9
173.04420	6.9
173.13268	5.2
174.17352	1.7
175.14906	2.2
177.12772	3.2
178.02448	1.8
179.14417	2.0
181.10216	1.7
183.11687	3.4
183.13762	2.9
184.07327	7.6
185.13260	3.0
187.07497	1.6
187.13309	5.2
193.12326	2.6
195.11798	2.8
195.13664	3.2
197.13251	2.7
201.14871	2.1
215.14262	2.1
225.14734	3.1
227.16406	2.8
229.14258	2.0
241.18021	2.7
243.15858	3.5
257.17410	3.7
261.22134	5.0
267.15884	2.7
269.17441	7.5
277.21466	2.0
296.96393	2.0
317.24850	3.2
327.23465	1.6
335.25812	17.7
336.26062	1.9
337.70694	1.9
341.91895	1.9
351.23160	3.2
351.56418	1.8
369.24307	4.6
385.61496	1.9
387.25089	2.5
405.25671	2.0
437.33710	2.1
443.28015	2.3
445.24240	4.7
461.28848	3.8
477.71286	1.7
479.29950	2.5
495.29285	1.9
503.37241	30.7
505.38745	21.6
517.38770	2.7
529.38855	12.8
561.41492	30.5
637.40906	2.3
647.40546	2.7
655.41785	3.9
673.42896	10.0
691.43890	3.5
694.12512	2.0
705.45709	9.0
723.42755	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	723.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74993	1.1
53.03943	6.9
55.01853	3.2
55.05511	21.9
57.03431	9.1
57.07059	3.6
59.04990	1.2
59.94306	1.4
60.08135	1.4
64.32849	1.2
65.03930	3.4
67.05499	76.2
69.03422	9.4
69.07066	16.5
71.04989	19.5
71.19933	1.5
73.02908	2.0
79.05491	41.1
79.52046	1.2
81.03418	23.5
81.07052	100.0
82.07380	1.5
83.04973	15.2
83.08608	10.4
85.02894	5.8
85.06522	6.7
86.09699	4.5
91.05481	39.5
93.07034	49.8
95.04976	7.6
95.08602	36.7
97.02890	6.4
97.06527	6.7
97.10158	3.8
99.04472	3.2
99.08076	2.4
105.07030	22.6
107.04964	3.5
107.07871	1.5
107.08591	27.6
109.02860	2.0
109.06516	4.4
109.10157	18.6
111.04427	4.9
112.40889	1.3
114.44959	1.3
117.07027	7.9
119.08594	11.5
121.06525	2.1
121.10133	18.2
123.08069	2.3
123.11692	12.2
124.99996	3.7
125.09677	1.8
127.03886	2.5
129.05461	8.2
129.06992	3.3
131.08568	14.6
133.10135	19.5
135.11685	11.3
137.06093	1.3
143.08540	2.9
145.10121	8.4
147.11658	8.8
149.09563	2.4
149.13283	8.7
151.11177	7.0
155.08569	1.8
157.10138	3.6
159.11688	11.4
161.13271	4.1
163.11168	2.4
163.14796	1.6
165.12769	1.7
169.12157	1.8
171.11636	2.5
173.04443	7.5
173.13208	2.9
175.11189	3.2
175.14857	1.6
177.12729	5.3
181.10075	1.8
183.11748	1.5
183.13805	2.8
184.07332	18.3
185.07683	2.8
185.13220	1.8
187.13260	7.9
193.12251	2.2
195.13779	3.6
199.14833	1.8
201.14825	3.5
225.14839	2.6
225.75432	1.2
227.16353	1.4
229.14197	2.6
230.11096	1.9
239.33864	1.3
243.15759	6.0
257.17465	1.8
259.20801	1.7
261.22086	5.2
267.15857	3.5
269.17413	8.9
281.44775	1.6
296.33981	1.4
299.18396	1.5
317.24658	2.4
335.25787	31.2
336.25946	1.7
339.17914	1.7
363.24902	1.5
369.24295	3.4
387.25375	1.6
413.21777	2.4
416.33942	1.6
443.28033	1.7
445.24203	5.7
461.28574	2.2
503.37320	39.6
503.44739	1.9
504.37268	3.0
505.38580	9.4
517.38666	3.4
529.38770	14.0
545.39032	1.5
561.41486	51.9
562.41504	2.7
637.40497	1.5
655.41357	1.6
673.43097	7.2
705.45874	11.4
723.46185	2.3
740.46191	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12358	1.7
53.03941	5.0
55.01862	2.5
55.05507	23.5
57.03435	9.6
57.07072	2.4
62.08889	1.9
65.03926	3.6
67.05499	83.6
69.03419	12.0
69.07067	18.5
69.75735	5.3
69.76154	6.8
71.04991	24.5
73.02876	1.9
76.79455	1.6
79.05485	39.7
81.03418	23.0
81.07047	100.0
83.04971	15.9
83.08601	9.9
85.02889	2.6
85.06532	6.9
91.05471	37.0
93.07034	42.7
95.04956	6.7
95.08600	37.0
97.02876	5.1
97.06509	8.2
97.10159	3.5
99.04460	2.9
99.08117	2.4
105.07021	22.5
107.04980	2.0
107.08579	27.7
108.67216	1.6
109.02827	2.2
109.06501	3.6
109.10153	19.4
111.04439	2.6
111.08087	3.7
117.07011	11.3
119.08569	15.9
121.06487	2.1
121.10133	17.5
123.11694	13.3
125.09625	2.8
126.23180	1.8
127.03930	2.2
129.05473	4.8
129.07016	2.6
131.08551	14.4
133.10118	20.5
135.08078	2.0
135.11659	8.7
143.08519	2.6
145.10074	9.1
147.11673	11.3
149.13275	8.5
149.31487	1.6
151.11177	8.1
155.08533	2.7
157.10110	4.2
159.11674	10.2
161.13226	3.6
163.14769	2.4
165.12816	2.1
166.13483	1.8
171.11740	2.4
173.04443	8.0
173.13318	2.3
175.11194	2.0
177.12698	4.5
183.13799	2.2
184.07294	4.5
185.13153	2.5
187.13310	6.6
187.14821	2.3
195.13852	2.9
197.13290	1.7
201.14883	3.4
233.76787	1.9
243.15932	3.4
255.33543	2.0
261.22000	4.7
269.17337	8.3
335.25745	27.6
413.21921	2.2
445.24377	7.2
503.37271	43.3
505.38824	6.5
517.38196	4.5
529.38892	14.3
561.41528	44.6
640.67834	2.0
673.42975	6.3
705.45886	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	723.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98300	2.6
53.03938	10.1
55.01873	25.2
55.05506	34.2
57.03436	20.7
57.07079	31.8
59.05007	2.9
65.03925	7.6
67.05502	100.0
69.03436	21.7
69.07061	29.8
71.04980	10.5
71.59830	3.4
73.02906	12.4
79.05490	94.4
80.06268	7.0
81.03416	48.7
81.07059	99.2
83.04991	29.2
83.08618	21.7
85.02899	26.6
85.06535	7.8
86.09703	11.0
89.06010	4.9
91.05476	82.8
93.07043	91.3
94.07832	7.7
95.04972	29.2
95.08603	65.0
97.02868	15.6
97.06525	12.6
97.10169	12.0
99.04452	4.9
99.08085	3.5
105.07024	72.6
107.04945	14.9
107.08589	48.5
109.02892	6.3
109.06527	11.0
109.10141	32.8
111.04458	5.2
111.08077	13.4
113.06030	3.5
117.07007	35.5
119.08582	46.5
121.06486	5.0
121.10156	32.6
123.08043	6.8
123.11682	8.0
125.00066	5.1
125.09602	6.8
127.03905	8.0
127.11178	9.1
129.05478	5.6
129.06984	15.9
131.03383	3.4
131.08563	41.6
133.10130	41.4
135.04382	6.8
135.08067	4.4
135.11673	18.9
137.09579	3.2
141.06950	3.8
143.08571	7.2
145.10117	27.1
147.08047	6.8
147.11682	29.8
149.09621	7.9
149.13257	10.7
155.08594	3.3
157.08594	3.0
157.10040	14.3
158.05717	3.4
159.11658	14.6
161.13260	8.7
163.11200	8.6
163.14848	5.4
165.12749	6.7
171.06592	3.8
171.11642	4.7
173.04468	4.7
173.11823	4.1
173.13249	8.6
175.11217	9.4
175.14868	3.7
183.11809	2.6
184.07335	42.7
185.07805	8.1
185.13322	5.0
187.14854	4.8
191.10519	3.3
193.12297	18.6
201.14838	9.3
209.11725	3.9
211.13275	12.6
213.16481	4.1
216.27562	2.8
217.07039	3.1
218.35286	2.8
227.12727	4.9
227.66661	3.0
229.14391	8.7
243.21028	4.2
247.16962	6.1
255.15837	5.7
259.20425	4.2
261.22107	8.2
267.16003	10.5
269.17505	4.9
277.21652	4.8
285.16815	5.7
287.19977	2.9
301.12704	3.0
335.25677	21.4
489.35757	8.7
503.37823	3.4
515.36993	4.6
523.99463	3.2
543.36499	14.2
544.37280	3.7
545.38153	13.8
555.89752	3.5
561.37860	8.4
588.07813	3.2
629.08838	3.3
723.44446	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	723.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.5
55.01868	8.6
55.05261	2.1
55.05510	26.5
56.77578	1.2
57.03428	9.2
57.07068	5.2
59.04989	3.8
63.67566	1.2
65.03944	3.4
67.05501	100.0
67.22224	1.6
69.03424	12.8
69.07065	14.8
70.27652	6.0
71.04990	6.1
73.02900	2.5
79.05487	48.1
79.62069	1.1
80.05850	1.6
80.06279	1.8
81.02965	2.1
81.03416	18.9
81.07052	50.6
83.04972	8.5
83.08621	10.5
85.02893	13.0
85.06542	5.5
87.04448	3.1
91.04907	1.5
91.05070	0.8
91.05480	35.5
93.07037	44.6
94.23123	1.4
95.04969	13.2
95.08602	38.2
96.09016	1.5
97.02882	9.2
97.06525	7.7
97.10154	7.6
98.20705	1.4
99.04472	2.7
103.03925	1.8
105.04573	1.3
105.07035	25.3
107.04961	5.5
107.08586	23.9
107.49032	1.2
109.02876	4.5
109.06532	4.9
109.10155	54.2
111.04440	4.2
111.08096	2.9
117.07004	10.8
119.08572	25.0
121.06523	2.0
121.10130	21.2
122.25885	1.3
123.04499	2.2
123.08089	2.7
123.11757	2.0
124.99931	1.4
125.09633	9.6
127.03906	5.3
127.11184	1.4
129.05499	2.8
129.07022	4.4
131.08540	15.9
133.06516	2.2
133.10132	13.8
135.08076	2.5
135.11661	10.7
137.09619	3.9
138.06615	1.4
139.11212	1.9
143.08566	2.9
145.05022	1.9
145.06433	2.3
145.10095	11.2
147.08046	2.6
147.11699	8.3
147.38893	1.3
149.09579	4.9
149.13246	4.0
153.12711	1.4
155.08601	2.0
155.10675	2.7
157.10149	4.3
159.11713	5.3
161.13309	5.2
163.11203	5.5
167.90671	1.2
169.10068	2.1
171.06573	1.4
171.11641	2.3
173.04482	1.7
173.09621	1.7
173.11763	11.3
173.13281	5.3
175.11203	2.1
181.12209	1.5
184.07362	2.8
185.13306	1.8
187.14760	2.3
193.12285	5.1
195.11751	1.6
199.13287	1.9
201.16386	2.1
209.11644	3.3
227.12737	3.1
229.14287	7.3
243.21109	1.7
248.95016	1.4
255.21320	1.3
259.20621	1.5
261.22232	5.1
267.15964	1.8
269.17435	2.3
275.20105	3.1
283.15387	2.2
301.16586	1.8
313.91318	1.3
335.25711	10.1
349.24097	1.7
369.24249	2.5
387.25125	2.9
411.19943	1.3
489.35745	62.8
490.36029	3.7
492.37717	2.3
543.36749	6.1
545.38428	2.5
561.37610	3.8
705.40991	2.0
723.42657	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	723.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	10.6
54.04250	1.4
55.01868	27.5
55.05266	2.1
55.05510	35.6
57.03433	15.8
57.07070	34.4
59.04982	2.0
65.03928	7.5
67.05502	95.8
68.05833	2.1
69.03421	23.2
69.06715	2.5
69.07064	26.5
69.47977	17.7
71.01329	2.6
71.04993	9.1
73.02901	8.5
74.85650	2.0
79.05489	100.0
80.05825	2.7
80.06257	6.2
81.03412	47.8
81.07052	90.9
83.04974	24.4
83.08611	20.6
85.02896	21.2
85.06525	7.1
90.56687	2.1
91.05476	92.1
92.06271	4.8
93.07038	86.2
94.07289	2.1
94.07828	6.1
95.04966	29.5
95.08601	59.8
96.45979	2.1
97.02889	19.5
97.06539	13.0
97.10155	8.2
98.07309	2.2
99.04433	5.9
99.08093	3.7
103.05492	1.9
105.07024	69.3
106.07829	3.4
107.04923	11.8
107.08585	46.0
108.09393	3.1
109.02867	8.8
109.06530	9.9
109.10144	32.7
111.04419	7.6
111.08054	12.7
113.05988	4.7
115.05373	2.2
117.05495	2.4
117.07020	31.5
119.08572	46.7
120.09380	5.2
121.06475	4.4
121.10133	40.0
123.04395	3.5
123.08058	8.1
123.11680	7.9
125.09601	7.0
127.03902	8.7
127.07555	3.3
127.11169	8.9
128.06215	2.5
129.05476	5.5
129.07024	13.0
131.08557	30.3
132.09302	3.8
133.06480	3.1
133.10114	43.4
134.10878	4.1
135.08054	5.8
135.11700	20.6
137.06049	2.1
137.09593	5.6
141.06976	2.9
141.09048	2.6
142.07652	2.0
143.08533	8.3
145.10130	23.5
146.10820	2.1
147.07993	3.5
147.11684	26.9
148.12372	2.9
149.09595	8.4
149.13297	8.9
153.12729	2.3
157.10149	13.5
159.11676	16.1
161.13255	9.2
163.11116	9.4
163.14845	3.5
165.12711	3.3
169.10077	2.9
171.06499	7.1
171.11642	5.2
173.04495	4.4
173.09557	1.9
173.11841	4.3
173.13231	13.5
175.11177	9.5
175.14832	4.6
177.12720	3.7
183.11662	3.5
185.13191	2.2
187.11174	2.5
187.14818	8.1
189.11194	4.2
189.12720	2.3
190.65314	2.0
191.10655	3.1
193.12245	19.1
195.13554	2.1
197.13240	2.7
199.05945	3.1
199.09601	2.4
199.14841	2.2
201.14819	7.7
203.12558	2.2
209.11658	5.7
210.12514	2.0
211.13255	16.8
211.14688	1.8
227.12686	4.5
229.14314	5.6
242.38716	2.2
247.16878	6.2
255.15906	6.0
259.20493	2.5
261.22153	8.0
267.15765	10.1
276.21066	2.2
277.21594	4.7
283.15369	5.9
285.16925	2.8
301.16586	3.0
301.21591	2.2
301.90646	2.4
312.80746	1.9
315.23264	2.4
317.24741	3.7
335.25836	23.4
351.25381	3.6
389.26923	3.8
391.28610	2.7
489.35458	3.9
515.37238	3.2
527.37469	3.0
543.36804	22.6
544.37384	3.3
545.38379	18.4
561.37689	8.2
661.13702	2.0
669.38892	2.7
705.41577	5.7
723.42712	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	722.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
55.01860	5.6
55.05510	12.9
57.03435	8.7
57.07058	0.7
59.04990	1.6
61.02914	1.7
65.03931	0.9
67.05503	17.1
69.03412	2.7
69.07066	6.6
71.05002	3.6
73.02895	0.9
79.05058	1.3
79.05491	17.7
81.03416	40.3
81.07052	19.9
83.01331	3.6
83.04977	8.0
83.08614	13.2
85.02905	3.9
85.06564	0.7
90.37770	0.7
91.05477	13.8
93.07040	15.9
95.04968	15.7
95.08605	11.4
97.02884	3.1
97.06519	4.1
97.10162	6.4
98.21544	1.1
99.04475	1.1
105.07019	13.3
107.04954	9.3
107.08589	12.9
109.02877	2.0
109.06519	4.3
109.10138	6.5
111.04444	4.1
111.08087	4.7
113.05991	2.0
115.05447	1.0
117.07005	6.4
119.04958	1.1
119.08577	12.7
120.47874	0.7
121.06517	3.2
121.10143	9.1
123.04436	2.4
123.08093	4.6
123.11724	2.5
125.06006	1.8
125.09630	5.1
127.03905	1.4
129.07002	5.3
131.04930	1.7
131.08556	8.0
133.06508	2.4
133.10135	5.0
135.08075	3.2
135.11691	8.5
136.33273	0.8
137.05969	2.4
137.09612	2.1
139.03862	1.4
139.07610	0.8
141.05475	3.4
142.07744	1.0
143.08540	2.0
145.06483	2.0
145.10107	8.8
147.04356	1.8
147.08012	3.7
147.11707	5.7
149.09584	4.0
149.13277	1.6
151.11176	1.7
153.01854	2.9
153.05450	1.1
153.08992	0.8
153.12721	1.7
157.10127	4.3
159.08052	1.7
159.11710	2.2
161.06007	2.7
161.09628	1.7
161.13327	1.3
163.11171	10.6
165.07152	1.1
165.12679	1.5
171.11649	1.2
172.68828	0.7
173.06049	1.1
173.09619	3.4
173.13225	1.1
175.11188	4.4
177.05498	0.8
177.12852	0.9
181.12202	1.0
185.09772	1.0
187.11197	0.8
189.11238	1.2
189.12805	1.0
191.10669	2.6
193.12233	8.8
197.09624	1.3
205.12366	1.4
209.11719	3.0
211.11351	0.9
211.13374	2.6
213.12737	1.2
227.12732	3.0
231.13795	2.0
243.13873	1.6
267.15900	20.7
269.17627	1.2
273.14929	1.1
283.15375	18.4
285.17053	1.6
289.14331	2.8
355.22675	2.1
365.21085	2.6
383.22171	13.6
397.67316	0.8
401.23212	6.1
401.28250	1.0
401.30130	1.0
411.29312	1.0
419.24368	2.3
422.60336	0.8
429.30005	17.3
431.24442	1.3
439.25095	2.6
447.31119	7.3
457.25851	23.0
461.28958	2.1
475.26923	100.0
476.27411	2.8
493.27985	14.6
494.28445	1.1
516.88910	0.9
684.56592	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	12.0
55.01867	10.5
55.05509	28.8
57.03434	10.7
57.07050	2.9
59.04996	2.3
61.02911	4.4
65.03925	4.3
67.05501	59.9
68.05830	2.3
69.03078	2.2
69.03424	26.7
69.07063	21.3
69.86131	1.4
69.95674	8.4
71.01319	1.7
71.04984	13.4
73.02910	2.4
73.44563	1.4
79.05488	55.2
81.03415	100.0
81.07053	75.3
83.01326	1.5
83.04977	26.9
83.08611	21.4
85.02908	21.0
85.06531	3.7
87.04480	1.8
91.05476	53.0
92.09548	1.4
93.07040	47.4
95.04963	30.9
95.08039	2.9
95.08603	33.3
97.02883	19.8
97.06544	15.2
97.10179	10.2
98.20795	1.8
99.04449	11.3
99.08083	3.0
101.02379	1.6
105.07024	49.5
107.04942	14.1
107.08591	26.6
107.30555	1.4
109.02879	17.1
109.06530	12.4
109.10149	19.3
111.04419	10.4
111.08071	10.1
113.06025	2.3
115.05450	3.5
117.07013	18.2
119.04890	1.8
119.08569	36.2
121.06493	9.0
121.10125	21.2
123.04411	4.3
123.08087	9.1
123.11695	5.5
125.09606	10.0
127.03909	15.5
128.06256	1.8
129.05482	3.2
129.06999	16.6
130.07751	1.7
130.95908	1.4
131.04922	2.2
131.08568	28.8
133.06487	4.3
133.10120	28.0
135.08044	9.6
135.11711	8.2
137.05972	1.9
137.09616	5.3
137.13245	2.4
139.03835	1.7
139.11235	1.8
141.06992	4.7
142.07701	2.5
143.08551	9.6
145.04887	1.8
145.06493	4.8
145.10115	18.1
147.08055	6.1
147.11676	23.0
149.09583	9.3
149.13239	6.5
151.11169	3.2
153.12755	2.9
155.08551	5.3
157.10101	16.1
159.08015	2.9
159.11694	11.6
161.09642	5.0
161.13257	4.5
163.07472	1.9
163.11154	7.2
165.09134	1.4
165.12750	6.3
167.08490	2.8
169.10130	5.4
171.11659	9.3
173.04468	30.8
173.05911	1.1
173.09590	3.5
173.13214	8.2
175.11200	13.1
175.12633	2.2
175.14792	1.7
177.12723	4.5
181.10150	2.2
181.12247	3.2
183.06604	1.9
183.11687	6.0
185.09584	1.8
185.13280	4.6
187.11163	2.8
189.11209	4.5
189.12733	2.4
191.10721	2.8
193.12241	24.5
195.11789	2.5
195.13759	3.3
197.13174	3.1
199.11150	2.9
199.14891	2.5
201.12785	2.1
201.16335	1.8
203.14375	3.1
207.11632	1.8
209.13292	2.5
211.13255	26.6
211.15193	2.1
217.15843	1.7
221.15593	1.6
227.12688	9.2
229.14240	2.5
229.19533	1.7
233.15425	3.0
239.17899	2.5
247.20613	3.4
257.19012	8.4
259.20267	1.6
263.20193	2.2
267.15869	18.2
269.17432	5.2
273.14917	2.0
273.18259	2.6
275.16959	2.1
275.20032	33.0
285.10104	3.1
285.16953	15.1
291.19516	4.1
293.21133	5.0
299.20074	2.5
301.14090	2.1
309.22351	1.8
322.38828	1.8
331.22400	2.6
349.23788	19.0
373.23694	2.0
383.21869	2.4
411.20306	3.0
429.21198	4.7
431.29285	2.8
431.48264	1.5
435.27414	2.3
443.27625	2.5
449.30106	4.0
461.29108	8.8
464.72861	1.9
467.31415	1.7
478.22205	1.7
479.30023	5.0
485.32324	2.2
513.35718	2.8
523.34576	3.6
531.36340	4.4
541.06055	1.9
541.35223	30.0
559.36304	38.9
577.36945	3.7
587.32135	3.4
601.37354	2.0
605.32892	3.1
623.34387	11.1
667.38373	3.7
685.38898	4.5
703.40259	18.6
721.41669	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	2.8
53.03945	10.7
55.01875	12.6
55.05511	34.4
57.03444	17.1
57.07071	2.6
57.96262	1.9
59.04998	2.5
61.02924	2.9
65.03928	5.1
66.92522	1.6
67.05503	60.9
67.13924	1.7
69.03072	2.5
69.03424	30.4
69.07072	24.7
70.73203	4.1
70.73573	3.6
71.04993	8.9
73.02914	3.4
77.03905	2.0
79.05487	61.5
81.03415	100.0
81.07054	81.0
83.04977	28.7
83.08620	26.6
85.02898	20.3
85.06545	5.7
87.04465	3.4
91.03989	2.4
91.05479	61.6
93.07045	47.6
95.04965	33.9
95.08606	34.8
97.02884	21.7
97.06522	18.8
97.10160	12.5
99.04456	8.4
99.08092	4.4
99.53462	2.1
101.02354	1.8
105.07027	59.3
107.04948	14.0
107.08591	32.4
109.02880	15.7
109.06522	12.6
109.10141	21.8
111.04414	9.8
111.08062	11.1
115.05453	4.1
117.07016	16.8
119.04944	2.8
119.07787	3.7
119.08585	45.2
121.06484	7.9
121.10149	24.3
123.04430	15.7
123.08093	9.3
123.11700	8.1
125.09641	7.8
127.03919	11.8
128.06218	3.2
129.05482	5.2
129.07007	16.8
131.04863	2.3
131.08568	29.8
133.06500	6.7
133.10121	30.8
135.08054	7.6
135.11670	11.9
137.09622	7.1
139.03909	10.7
141.06989	6.0
142.07753	3.3
142.58191	2.4
143.08536	8.9
145.06499	2.6
145.10114	23.1
147.08052	5.6
147.11684	24.6
149.09615	17.0
149.13240	4.4
151.11136	3.3
153.12784	2.1
155.08546	9.5
157.06444	2.9
157.10132	18.6
159.08037	5.2
159.11659	15.2
161.09641	4.4
161.13287	5.7
162.03777	2.1
163.11183	11.1
165.12733	6.0
167.08527	2.5
169.10165	8.7
171.11667	7.0
173.04478	22.0
173.05872	3.1
173.09612	4.5
173.11929	1.8
173.13281	9.5
175.11166	14.2
177.12672	2.6
179.08521	2.4
181.10121	3.7
181.12256	4.1
183.11682	5.7
185.09633	2.4
185.13248	4.4
187.11209	4.2
189.11214	4.1
189.12790	1.9
191.10680	3.8
193.12216	30.1
195.11728	2.8
195.13676	2.4
197.13287	5.1
199.11139	2.2
201.09103	2.3
205.12317	1.8
209.13281	3.3
211.11279	2.5
211.13243	34.3
211.15004	3.4
213.12830	2.3
227.12645	9.9
229.14185	2.6
239.17932	3.5
247.20685	4.2
249.14851	2.8
257.18985	10.6
267.15881	23.6
269.17505	2.8
273.18411	2.3
275.20053	55.7
285.16968	21.0
293.21078	6.7
301.14325	2.3
313.46948	2.3
331.22491	3.3
341.21051	3.0
341.25348	2.1
349.23715	33.1
351.23279	2.8
355.17780	4.2
367.24844	2.1
369.24146	2.9
373.23883	2.4
383.21890	2.7
393.18951	3.4
411.20230	5.4
413.21695	2.0
419.24310	3.1
421.26636	2.1
429.21161	12.6
433.26245	1.9
447.28061	1.8
461.28650	4.2
479.30463	3.5
513.35638	3.1
523.33826	5.3
531.36609	3.9
541.35217	41.1
559.28491	3.2
559.36310	45.7
560.36444	2.5
577.37128	4.4
623.33875	6.9
633.96692	2.3
649.37683	2.9
667.38531	4.2
676.21698	2.4
685.39258	3.1
703.40625	20.9
721.41425	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	721.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41137	1.0
53.03946	7.6
55.01868	29.7
55.05257	2.1
55.05506	24.2
57.03432	12.8
57.07075	1.9
59.04988	1.9
61.02890	1.4
65.03928	3.1
67.05499	51.5
69.03427	18.1
69.07063	32.7
69.87924	6.5
71.04988	6.2
73.02903	1.4
74.09271	1.1
79.05489	42.9
81.03413	79.2
81.07052	61.4
83.04978	25.8
83.08614	23.4
85.02897	13.7
85.06541	2.6
87.04451	1.3
91.05475	64.5
93.07034	42.0
93.07627	2.1
95.01316	7.8
95.04964	31.2
95.08599	37.3
97.02891	19.6
97.06523	47.9
97.10164	5.5
99.04437	4.6
99.08089	1.9
103.05431	2.6
105.07024	78.7
107.04948	23.5
107.08588	23.3
109.02870	8.4
109.06493	7.5
109.10149	10.7
111.04443	8.9
111.08066	11.0
112.96333	1.1
115.05444	2.1
117.07014	15.7
119.04952	1.6
119.08574	50.5
120.31200	1.0
121.06497	4.7
121.10144	15.6
121.48287	1.1
123.04426	3.2
123.08024	6.1
123.11697	3.5
125.09631	4.4
127.03886	9.1
128.06184	1.2
128.86617	1.2
129.05460	4.1
129.07004	10.8
130.07790	1.4
131.04893	1.5
131.08563	31.4
133.06483	3.7
133.10120	47.3
135.08067	4.1
135.11693	9.3
137.09616	3.9
139.07518	2.2
141.07004	2.8
142.07782	3.7
143.08562	6.3
145.06500	2.8
145.10115	17.6
147.08043	3.5
147.11671	27.4
149.09608	14.7
149.13214	3.6
151.07372	1.2
151.11163	2.8
153.12749	3.0
155.08524	3.0
157.10123	14.0
159.11682	13.8
161.13237	5.7
163.11148	7.8
165.09103	2.3
165.12759	4.1
169.10129	4.6
171.11681	3.8
173.04491	1.6
173.09619	2.9
173.13243	4.1
175.11171	11.9
177.12704	3.9
179.14316	15.6
181.12245	3.5
183.11702	3.1
185.13281	1.5
187.11186	4.3
189.12819	1.8
191.10683	2.4
193.10638	1.1
193.12225	32.8
197.13234	3.1
198.99326	1.1
211.13254	36.8
211.15207	1.9
215.14317	1.3
227.12787	4.6
229.14268	2.0
229.19511	2.7
239.17955	1.5
247.20602	3.4
249.14859	2.6
257.18991	7.7
267.15915	37.2
273.18362	1.2
275.20047	100.0
276.20483	2.2
279.15894	2.7
283.15265	1.6
285.16913	11.1
287.16458	1.1
293.21136	9.5
301.14362	1.4
304.91321	1.4
313.21725	1.3
337.16510	1.9
349.23709	52.2
350.23965	1.2
355.17468	5.0
393.19199	1.2
411.20081	6.5
429.21176	53.2
523.34473	1.2
541.35242	74.5
542.35211	2.9
559.36322	25.2
667.38074	1.3
685.39148	1.7
697.10291	1.2
703.40430	63.8
704.40674	3.6
721.38702	8.4
750.29590	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.3
53.03942	5.6
55.01621	1.5
55.01872	24.4
55.05507	20.8
57.03436	8.5
57.07066	1.9
61.02943	1.0
65.03928	3.5
67.05500	41.3
69.03424	12.7
69.07064	26.8
69.40739	9.5
71.01335	0.9
71.04980	5.4
75.27754	1.0
79.05485	37.3
80.06260	1.5
81.03415	62.3
81.07053	61.6
83.04971	16.6
83.08616	15.7
85.02895	9.8
85.06528	2.6
91.05478	55.2
93.06464	2.1
93.07040	34.1
93.07628	1.9
95.01326	8.8
95.04959	22.8
95.08596	29.1
97.02892	12.2
97.06526	44.0
97.10161	4.2
98.20766	1.6
99.04449	3.6
99.08054	1.4
103.05477	2.5
105.07025	77.5
107.04950	20.6
107.08587	20.2
109.02875	6.8
109.06523	7.0
109.10155	9.7
111.04428	5.9
111.08080	6.3
113.09673	1.3
115.05431	2.0
117.07010	16.5
119.08569	45.4
121.06493	5.6
121.10131	12.2
123.04440	3.0
123.08079	3.6
123.11708	3.5
125.09650	4.0
127.03912	5.0
128.06238	1.8
129.05476	3.2
129.06992	8.1
131.04863	1.0
131.08556	26.1
133.06514	2.9
133.10126	43.0
135.08058	3.6
135.11668	8.3
137.06012	1.3
137.09613	3.4
139.07555	2.9
141.06995	2.0
143.08528	5.3
145.06525	2.0
145.10107	18.4
147.08078	3.8
147.11670	18.3
149.09616	9.5
149.13225	3.2
151.11130	2.7
155.08536	2.7
157.10146	10.1
159.08017	1.4
159.11676	10.7
161.13277	6.5
163.11166	7.1
165.09154	3.0
165.12761	2.4
169.10120	3.2
171.11659	3.6
173.09633	1.2
173.13254	3.7
175.11166	9.1
177.12756	4.6
179.14287	13.6
181.12299	1.9
183.11751	2.3
185.13263	1.5
187.11179	3.9
187.14703	1.2
191.10751	1.4
193.12218	17.6
193.13818	1.2
195.13829	1.6
197.13261	2.3
207.72969	1.1
211.13268	19.5
215.17915	1.1
219.13847	1.1
219.17462	2.3
227.12831	3.2
229.19429	1.2
233.15562	1.1
239.18011	1.9
241.14426	1.4
247.20599	3.5
249.14862	1.7
257.19000	8.3
267.15915	18.1
267.18845	0.9
269.17447	1.5
273.18457	1.4
275.20047	100.0
276.20258	1.3
279.15906	2.2
285.16995	6.2
291.19516	1.8
293.21060	6.5
331.22723	1.0
349.23724	41.8
352.89371	1.3
355.17316	4.6
393.19241	1.4
411.20224	5.0
419.24161	1.8
429.21204	19.6
461.28442	1.1
541.35223	55.5
542.35864	1.6
553.04834	1.1
559.36310	25.6
560.36627	1.1
667.38147	1.5
685.39624	2.5
703.40454	63.7
704.40790	1.8
721.39789	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	720.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01868	2.2
55.05509	9.8
57.03433	13.2
57.07072	26.5
59.04999	1.3
61.02912	4.1
64.03979	1.1
67.05499	18.8
69.03424	4.0
69.07056	10.5
69.33918	13.1
71.04987	4.6
71.06461	1.1
71.08626	19.9
78.76110	1.3
79.05486	13.2
81.03409	42.1
81.07051	24.7
83.04968	10.7
83.08614	21.2
85.02898	17.5
85.06523	2.5
85.10173	11.4
89.05996	1.4
91.03951	1.3
91.05477	19.7
93.07032	10.8
94.70699	1.1
95.04956	18.3
95.08599	19.7
96.29381	1.0
97.02879	4.3
97.06508	2.5
97.10145	7.1
105.07021	16.1
107.04929	4.4
107.08591	4.3
109.06506	3.3
109.10149	11.5
111.04476	1.3
111.08073	6.8
113.05984	2.5
115.05458	1.4
119.08570	13.1
119.49530	1.1
121.10138	6.0
123.08051	2.4
123.11692	2.9
129.06976	6.3
131.08583	6.1
133.06503	1.4
133.10121	8.9
137.13318	1.4
142.07761	2.4
145.10162	1.2
147.08066	2.5
147.11700	9.8
149.09595	4.5
157.10095	10.7
157.93932	1.4
165.12775	1.3
165.21741	1.2
175.11183	12.1
184.07359	5.1
193.12230	32.4
211.13281	48.2
214.48096	1.3
227.28534	1.3
239.23784	1.5
267.15915	14.1
285.16943	64.7
313.27344	69.7
495.17920	1.2
505.38773	12.9
515.52374	1.2
523.39893	100.0
524.40021	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	719.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01576	0.2
51.02173	0.1
51.02363	0.4
53.00310	0.1
53.03945	0.2
53.54203	0.1
55.01864	0.2
69.03409	0.2
69.64680	0.2
69.65108	0.3
79.01842	3.5
81.03408	1.3
83.04964	0.1
85.98894	0.1
86.39780	0.1
91.05450	0.1
91.20285	0.1
92.52034	0.1
97.02905	0.7
98.21054	0.2
107.01302	0.8
109.02869	2.5
123.00758	0.2
125.02335	2.9
127.03909	0.8
131.04916	0.3
137.78088	0.1
140.22887	0.1
143.03384	6.3
147.04393	0.1
153.01813	100.0
154.02148	1.0
159.04382	0.5
163.03915	0.2
164.96281	0.1
175.03902	0.1
177.05486	0.2
181.01317	0.4
183.02882	0.2
187.03893	0.2
191.03391	0.3
193.05022	0.1
196.94966	0.1
197.00763	0.2
199.03746	0.1
205.04955	0.5
207.02895	0.1
213.03845	0.4
215.03394	0.3
217.04916	0.3
219.02896	0.1
233.04436	1.4
237.03896	0.6
243.02812	0.5
261.03937	2.3
279.04959	2.4
297.05951	0.5
305.02850	0.2
362.08301	0.1
431.06192	0.1
449.07132	3.9
450.07480	0.1
467.08084	0.3
532.11292	0.1
559.13171	0.1
619.09229	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	717.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78328	0.5
53.03940	0.9
55.01881	0.5
55.05508	1.1
57.03423	1.3
61.02930	4.2
67.05505	4.9
69.03426	3.6
69.07051	1.6
70.79763	1.5
71.01354	0.6
71.04987	0.8
73.02914	3.8
79.05489	4.8
81.03409	1.9
81.07050	4.9
83.04976	0.7
83.08625	1.0
85.02912	5.3
91.03954	3.1
91.05462	2.5
93.07044	5.4
95.04930	0.7
95.08612	2.4
97.02900	3.9
97.10181	1.0
99.04436	0.8
101.02385	1.8
105.07036	1.1
107.08598	3.0
109.10146	1.6
111.58230	0.5
115.16281	0.5
119.08582	1.3
121.10146	1.7
124.50146	0.5
124.70242	0.5
127.03908	1.4
133.10150	0.8
135.11690	2.7
145.10126	1.0
184.07410	0.8
185.04172	0.8
221.11536	2.0
243.08475	1.8
262.43942	0.6
312.75510	0.5
439.19217	3.3
519.29321	8.5
717.41711	100.0
718.42126	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	718.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
53.42439	0.6
53.64502	0.6
55.01863	1.5
55.04445	0.6
55.05511	16.6
55.09758	0.8
57.03440	12.5
57.07077	4.7
61.02923	2.6
65.78453	0.7
67.05503	19.9
69.03430	2.9
69.07066	19.1
70.23277	0.7
71.04985	3.1
71.08626	2.3
71.60849	0.7
73.02924	0.9
79.05495	16.2
81.03415	35.7
81.07056	27.0
83.04984	8.5
83.08619	26.2
85.02908	16.5
85.06547	2.6
91.03958	2.3
91.05476	17.5
93.07046	15.7
95.04963	14.1
95.08598	17.2
97.02890	3.2
97.06524	4.4
97.10168	8.8
99.08084	1.5
101.06042	0.8
102.11384	0.7
105.07018	11.2
107.04961	4.2
107.08600	8.6
109.06509	2.9
109.10136	5.0
111.04467	1.6
111.08104	7.7
111.11713	2.4
113.06018	0.8
117.07045	1.2
118.97450	0.8
119.08572	10.9
121.06487	1.0
121.10143	12.6
123.08097	1.4
123.11681	3.7
125.09541	1.7
129.07002	6.4
131.08572	8.9
133.06509	2.3
133.10123	7.9
135.11676	6.1
137.09616	1.3
137.13248	1.9
142.07753	1.6
145.10139	1.4
147.08023	1.8
147.11688	10.3
149.09631	2.6
149.13278	2.4
153.12747	1.2
157.10115	8.1
163.11177	0.8
165.12749	2.2
175.11192	9.5
175.12592	1.2
177.16327	0.7
184.07349	2.2
193.12238	30.0
199.14986	0.7
211.13290	49.8
212.13634	1.3
212.78120	0.8
219.21179	1.0
237.22168	1.2
267.15939	16.9
268.16290	0.9
285.16953	67.8
286.17477	1.8
311.25793	68.7
312.26077	4.0
325.51825	0.8
503.37271	16.0
504.37750	0.9
521.38373	100.0
522.38605	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	715.1651
Annotation	Fisetinidol-(4alpha->8)-catechin-3-O-gallate
Peak:m/z	Relative Intensity
50.01581	0.3
51.02373	0.8
53.03943	0.9
55.01861	2.4
63.02398	0.4
65.03931	1.4
67.05491	0.6
67.92948	0.3
68.99780	6.2
69.66891	1.5
69.67306	0.7
77.03919	1.1
79.01849	0.6
79.05482	1.3
80.05835	0.3
80.09838	0.3
81.03396	0.8
83.04990	0.4
85.02887	0.7
89.03910	0.3
91.05475	5.3
93.03420	0.5
95.04963	5.0
97.02851	0.4
97.51286	0.3
105.03363	0.9
105.04529	0.3
105.07037	1.0
107.04945	100.0
108.05281	1.4
109.02834	0.7
111.00800	3.6
111.04430	2.6
115.05450	1.1
117.07001	0.9
119.04932	56.9
120.05247	0.7
121.02860	7.2
123.04416	100.0
124.04743	1.0
125.02332	1.0
127.03900	5.0
128.06169	0.6
129.07008	0.5
131.04927	1.4
133.02898	0.4
133.06485	7.1
135.04424	2.9
137.02309	1.7
137.05995	0.9
139.03888	28.4
141.01776	0.5
141.06964	0.8
143.03410	1.5
143.04872	0.5
144.05739	0.6
145.06468	13.1
147.04395	60.3
148.04866	1.0
149.02321	8.4
149.05972	0.5
151.03893	25.9
153.01814	17.2
153.02872	0.7
153.06964	0.7
157.06491	4.8
159.04399	0.9
159.08044	1.1
161.02344	0.5
161.05969	7.2
163.03896	12.0
165.01753	0.4
165.05472	5.2
165.06998	1.2
167.03392	20.2
169.05101	0.5
169.06497	1.3
171.04385	10.8
171.08020	1.8
173.05945	0.8
175.03867	5.4
175.05266	0.4
175.07443	0.5
177.05452	3.0
179.03380	13.7
180.03769	0.5
181.05009	0.8
181.06433	2.7
183.07948	0.7
184.05072	0.3
185.05969	5.5
187.03940	1.8
187.07521	4.1
189.05449	12.6
191.03374	17.5
193.04933	5.9
197.05989	2.3
199.07471	3.2
201.05469	6.3
203.03377	15.4
203.05377	0.4
203.06854	1.6
205.04863	2.0
207.06462	1.1
209.05899	0.7
210.06709	0.4
211.07520	0.4
213.05460	5.0
215.03458	2.1
215.07004	2.8
217.04965	1.4
223.02342	0.5
225.05447	1.0
227.03386	0.8
227.06999	5.4
229.04932	4.9
231.06500	44.4
232.06815	0.8
233.04417	8.8
235.02356	0.4
237.05414	0.9
239.07022	3.6
241.04953	0.9
243.06511	15.1
245.04430	10.8
245.08080	4.6
247.05951	0.9
251.05334	2.4
255.06497	22.3
256.06897	0.6
257.04425	13.5
257.07944	2.5
258.05054	0.6
259.06046	2.0
263.70999	0.3
267.06500	10.8
269.04434	7.8
270.04880	0.6
271.05994	2.4
273.07544	45.4
274.07758	0.6
275.05469	23.0
276.05887	0.4
279.06421	0.8
281.04666	0.4
281.08102	1.3
283.05914	0.5
285.07550	26.5
286.07895	0.6
287.05475	39.7
288.05774	0.8
291.08609	4.1
297.07434	1.6
299.05469	5.9
303.08698	1.8
311.05359	0.9
315.08401	0.6
323.09164	0.6
325.07327	0.5
373.07239	0.5
377.10141	1.4
379.08087	1.0
391.08066	4.7
393.09637	30.4
395.11105	1.2
405.09647	1.8
409.09137	11.8
411.10748	6.0
419.11377	3.0
421.09015	3.0
423.10809	0.9
427.10138	0.5
433.09015	0.8
443.09631	2.1
453.94400	0.4
527.13263	1.4
545.13934	0.8
547.12292	3.9
561.09949	0.9
579.11377	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	713.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01876	0.7
55.05510	1.5
57.03437	1.9
60.22324	0.4
61.02924	4.1
65.03928	0.7
67.05504	4.3
69.03427	3.2
69.07069	1.6
69.34335	3.3
69.34754	1.2
70.60888	0.4
71.04983	2.6
73.02923	2.9
79.05489	3.5
79.67543	0.4
81.03412	3.9
81.07051	6.1
83.04986	0.9
83.08627	1.6
85.02897	5.8
85.06525	0.7
86.09727	0.4
91.03955	2.2
91.05467	4.9
91.51243	0.4
93.07048	3.2
95.04970	2.2
95.08576	2.6
97.02876	4.4
97.06548	1.2
98.21603	0.8
99.04456	1.0
101.02386	1.4
103.03950	0.5
105.07018	3.2
107.04898	0.6
107.08615	2.7
109.02922	1.4
109.06541	0.7
109.10162	1.6
111.08081	0.8
117.07017	0.8
119.05000	0.6
119.08598	2.0
121.06559	0.5
121.10174	1.6
123.04429	6.1
123.11661	0.8
127.03938	1.9
129.07008	0.5
131.08618	1.4
133.10133	3.7
135.04419	0.5
135.08011	0.6
135.11713	1.2
137.05986	0.7
139.03899	4.4
142.07816	0.5
145.10123	0.8
147.04431	1.7
147.08070	0.5
147.11693	1.6
149.13283	0.8
151.03825	2.0
151.11234	1.3
153.01820	1.7
157.10156	1.1
159.11717	1.2
161.09586	0.4
161.13237	0.6
163.03915	1.1
165.05540	0.9
169.10167	0.4
173.13266	0.6
175.11150	0.8
177.05472	1.0
179.07196	0.6
184.07295	0.5
185.04362	0.6
193.12289	1.1
201.07550	0.5
201.14775	0.4
203.05261	0.5
211.13275	0.6
217.08832	0.4
217.79688	0.4
243.08469	1.9
247.06224	0.5
251.12646	0.9
257.17664	0.5
261.14975	0.5
267.15845	1.5
269.17731	0.6
273.07648	0.8
283.15198	0.9
301.07031	0.7
323.18527	0.5
399.25201	2.0
453.20941	2.5
469.20425	6.5
485.23547	7.3
501.23334	1.7
543.28998	0.6
561.21497	0.5
641.30396	0.5
713.37225	100.0
714.37567	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	713.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01868	1.0
55.05505	1.1
56.96570	0.3
57.03434	1.9
57.07069	0.6
59.46476	0.2
61.02922	3.6
65.03899	0.2
67.05503	1.6
69.03425	2.9
69.07066	0.8
71.04981	0.4
71.60976	0.4
72.18707	0.2
73.02919	2.5
75.04464	0.2
79.05488	2.5
81.03420	2.9
81.07045	2.3
82.09224	0.3
83.01118	1.0
83.04981	1.4
83.08621	1.0
85.02899	5.4
85.06538	0.3
87.27800	0.2
88.60188	0.2
91.03954	3.4
91.05474	2.0
93.07030	2.3
95.01083	0.5
95.04946	1.3
95.08602	0.9
96.01892	0.3
97.02890	3.7
97.06548	0.7
97.10170	0.6
99.04454	0.8
101.02379	1.3
103.03920	0.6
105.06986	1.2
107.04956	0.8
107.08579	1.7
109.02872	0.9
109.06500	0.5
109.10154	0.8
111.04441	0.4
111.08056	0.4
115.03983	0.5
117.05481	0.8
117.07129	0.3
119.04944	0.3
119.08558	1.1
121.10167	0.9
123.04410	1.7
123.08095	0.3
123.11713	0.4
125.09670	0.6
127.03886	1.9
127.11193	0.4
129.05473	2.2
129.06979	0.5
131.08586	0.7
133.10150	1.2
135.04443	0.8
135.08089	0.3
135.11711	1.1
137.05930	0.5
139.03847	1.7
143.07054	0.4
145.04979	0.9
145.10150	0.4
147.04413	0.7
147.08037	0.3
147.11688	0.8
149.05878	0.3
149.09702	0.7
151.03889	0.4
153.01797	1.2
153.05327	0.4
157.08687	0.2
157.10176	0.7
163.03934	1.1
163.11188	0.4
165.12817	0.3
167.10666	0.3
175.11191	0.7
177.05486	0.5
181.04715	1.4
183.06548	0.4
184.03448	0.5
184.07315	0.6
185.04192	6.3
185.05775	0.4
189.05432	0.3
191.03374	0.3
193.08566	0.6
193.12233	1.3
195.06351	0.4
199.05859	0.9
199.13303	1.0
201.03650	1.8
201.14839	0.5
203.05272	0.4
205.08621	0.3
207.06395	0.3
207.13651	0.4
211.13293	0.8
215.06905	0.3
221.11598	0.4
227.05388	0.9
241.06870	1.1
243.08398	4.6
243.10751	0.4
251.12552	3.9
259.07941	0.6
261.14737	0.4
265.14026	0.7
267.16205	0.2
269.04532	0.4
277.14066	1.7
283.06046	0.5
285.10211	0.5
285.17035	0.5
287.05365	0.3
291.15588	1.8
299.05472	0.4
301.08975	16.3
307.15201	0.8
313.08737	0.6
315.07056	0.3
315.10486	3.7
317.08664	0.4
321.16669	0.3
327.10489	1.2
329.12192	0.8
341.12192	1.1
343.10013	0.5
343.13788	0.9
349.16190	4.2
349.20093	0.3
355.13721	0.9
357.11444	0.4
357.15381	1.1
361.18817	0.3
363.17911	1.0
367.17511	1.4
369.15381	0.7
371.16931	1.2
373.10986	4.8
379.17505	0.3
383.16745	3.7
385.18311	8.9
386.18698	0.5
387.12442	1.3
392.09131	0.4
395.16745	2.7
397.18567	0.5
401.14206	0.8
413.17819	0.7
415.15820	0.9
421.09268	0.7
423.19025	0.6
425.17725	0.5
429.17499	2.3
433.25537	2.8
439.19427	1.4
441.21231	0.9
443.18906	6.1
451.26541	0.3
455.19263	0.3
457.20679	1.5
467.19003	0.5
469.20450	15.2
470.20996	0.9
479.26245	0.9
483.22040	0.8
484.19083	0.4
485.19772	3.5
499.21326	4.1
500.22379	0.5
511.21298	1.3
513.26715	0.3
522.61859	0.3
527.20898	0.4
527.28149	0.9
528.21716	4.1
541.22455	8.9
543.20056	0.3
555.23950	2.2
559.63635	0.3
567.31818	0.4
569.25244	2.8
583.27759	1.7
595.31110	0.3
597.28210	0.3
611.30280	5.9
612.31250	3.1
625.31769	0.9
641.31030	0.5
646.58142	0.3
651.33496	1.1
653.31323	1.1
667.33453	1.1
678.31580	0.3
679.32275	0.4
695.32422	1.6
696.33313	0.6
713.33441	100.0
714.33710	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	713.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	0.3
61.02924	0.5
67.05505	0.8
69.03425	0.5
70.06586	0.4
71.60567	0.3
73.02924	0.4
79.05486	0.6
81.03421	0.9
81.07059	0.9
83.04982	0.4
83.08620	0.5
85.02900	1.0
86.09711	0.3
91.05493	0.8
93.07047	0.8
94.51025	0.3
95.05049	0.3
95.08609	0.4
97.02901	0.6
97.06516	0.4
105.07037	0.5
107.04953	0.4
107.08593	0.5
109.02865	0.3
109.06478	0.4
109.10154	0.4
119.04958	0.3
119.08595	0.5
123.04445	0.7
127.03931	0.4
131.08548	0.4
133.10164	0.3
137.05994	0.5
139.03920	0.5
145.10136	0.4
147.04395	0.5
147.11746	0.4
150.51726	0.2
152.67377	0.3
153.01828	0.6
159.07964	0.2
160.70180	0.3
168.91379	0.2
175.11192	0.3
177.05598	0.3
184.07413	0.6
191.14351	0.3
267.08945	1.4
282.27170	0.3
285.10010	1.6
309.10226	0.3
448.27884	0.5
469.20682	0.8
485.17294	2.1
500.44360	0.3
508.38199	0.2
552.24780	0.3
677.28406	0.4
695.32050	0.4
713.31488	100.0
714.31818	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	0.5
58.06345	0.2
58.06610	0.4
60.08162	6.3
67.05486	0.4
69.07044	0.2
71.07365	2.8
73.17722	0.1
79.05504	0.2
81.07037	0.4
86.09698	30.0
87.10039	0.2
91.05464	0.4
93.07032	0.3
95.08553	0.2
98.97849	0.2
98.98457	2.9
104.10741	2.0
107.08636	0.2
124.99995	19.8
126.00373	0.2
143.01047	0.4
166.02727	0.3
184.07326	100.0
185.07686	0.7
192.19565	0.2
452.23553	0.2
519.95703	0.2
571.15417	0.2
712.45404	6.2
713.45728	0.4
728.71674	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05836	0.6
53.03936	1.9
55.01863	2.2
55.05264	0.9
55.05509	13.5
57.03437	15.0
57.07069	2.1
61.02909	2.7
65.03943	1.6
67.05505	59.2
67.99448	0.6
69.03416	3.1
69.06715	1.1
69.07066	14.9
70.07391	0.8
70.66181	2.3
71.01348	2.3
71.05001	4.2
73.02910	1.5
73.12578	0.8
79.05491	42.8
81.03429	4.6
81.07056	40.0
82.07376	1.4
83.04974	7.3
83.08616	6.2
85.02897	3.0
85.06548	3.6
91.03954	1.5
91.05480	19.7
92.05843	1.0
93.07043	54.5
94.01588	0.6
94.07365	1.5
95.04965	7.3
95.08607	25.7
96.08920	1.2
97.02890	1.6
97.06529	10.2
97.10155	9.0
99.08062	2.6
105.07028	12.1
106.07347	1.2
107.04940	1.7
107.08598	36.3
108.08910	0.9
109.06524	2.0
109.09440	1.2
109.10157	13.8
111.08067	2.5
111.11751	1.0
113.09670	0.7
117.07013	6.4
119.07789	1.0
119.08576	11.9
121.06479	1.4
121.10148	15.3
122.10474	1.1
123.11710	3.4
125.09642	1.4
129.07014	1.1
131.08572	8.0
133.10126	9.3
135.08095	1.1
135.11693	43.4
136.12042	0.7
137.09605	1.8
137.13245	1.1
143.08514	1.7
145.10124	12.6
145.11259	0.9
147.11668	4.5
149.13246	3.8
151.11232	1.3
153.12694	1.9
155.08585	1.1
157.10071	2.1
159.11679	3.8
161.13197	3.8
163.11198	5.5
163.14796	2.0
167.08543	0.9
169.10159	1.3
171.11676	1.4
173.13258	2.9
175.11143	1.0
175.14769	1.4
179.08539	1.6
179.14250	1.1
181.10161	1.1
181.12239	9.1
183.11644	1.0
185.13251	0.9
187.14717	1.4
193.10187	1.3
194.10735	1.0
195.11665	1.5
199.13219	1.7
199.14885	1.3
205.09984	1.0
207.11787	1.1
209.09630	1.4
209.13205	0.8
210.13753	1.0
211.11018	0.9
223.11124	1.3
243.21024	3.7
251.14253	0.8
253.14362	2.3
254.18459	0.8
255.15909	100.0
256.16147	2.1
261.22156	12.0
262.22394	0.9
269.17587	0.9
271.19070	3.0
272.19443	2.0
281.15164	0.8
291.13931	1.1
309.14871	1.5
310.15118	1.7
317.24673	2.4
321.24329	1.6
327.15918	1.6
328.16226	0.8
333.24347	1.1
335.25818	50.8
336.26129	5.4
350.22046	0.9
368.23251	1.1
378.51489	0.9
423.32468	1.6
497.35870	1.6
515.37335	74.4
516.37451	4.5
531.40204	1.2
532.40692	3.0
533.38348	2.1
534.11749	0.9
712.38995	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.2
55.05513	25.5
57.03434	14.5
57.07070	3.9
65.03927	2.2
67.05505	80.3
69.03431	9.3
69.07063	24.9
71.04980	8.4
71.08643	2.9
76.33727	1.7
79.05492	52.3
81.07056	92.5
82.07385	2.1
83.04970	7.7
83.08616	13.3
85.02906	3.6
85.06544	3.1
91.05479	43.4
91.06013	3.9
93.07043	55.9
95.04955	8.8
95.08605	80.5
97.06540	11.8
97.10158	5.5
98.21655	3.0
99.08071	3.4
102.33604	1.7
103.05446	2.4
105.07024	37.4
107.04946	5.5
107.08598	32.3
109.02853	1.9
109.06532	5.9
109.10144	25.1
111.08087	5.4
115.05412	4.0
117.07011	16.3
119.08579	37.4
121.06484	3.8
121.10149	23.9
123.04414	2.2
123.08036	4.6
123.11718	6.8
125.05986	3.1
125.09640	2.2
127.07697	2.5
128.06248	3.9
129.07007	12.8
131.08563	19.7
133.06531	3.3
133.10120	31.6
135.08035	4.5
135.11691	21.0
137.13277	5.4
141.06982	5.5
142.07808	2.1
143.08569	11.2
144.05585	2.3
145.06482	4.7
145.10095	15.2
147.08038	2.2
147.11713	10.3
149.13249	9.0
153.06946	4.8
154.07735	2.5
155.08566	8.6
157.10161	10.3
159.08020	3.3
159.11681	10.7
161.09581	2.6
161.13255	24.1
163.11197	2.6
163.14784	4.9
165.07031	5.0
166.07753	2.9
167.08540	8.3
169.10065	9.6
171.08072	3.2
171.11679	5.9
173.09683	3.0
173.13280	5.5
175.07538	2.0
175.11192	4.6
175.14687	2.4
177.12659	2.6
178.07776	3.3
179.08611	6.9
179.14299	20.3
180.09306	2.9
181.10173	8.6
182.10918	2.3
183.08112	2.9
183.11674	8.5
185.09595	5.0
185.13307	4.6
187.11226	4.4
187.14838	3.7
191.08604	2.9
191.10585	2.2
192.09300	3.7
193.10129	7.8
193.12021	2.5
194.10873	5.4
195.08084	4.4
195.11716	11.1
197.09639	5.8
197.13261	7.3
199.11192	2.5
201.16469	2.6
205.10138	5.2
206.10837	3.6
207.11754	6.4
208.08846	1.9
209.09615	5.8
209.13277	6.6
210.10387	2.5
211.11162	6.8
211.14896	3.6
213.12706	4.0
213.16335	2.8
219.07980	2.3
219.11728	4.7
220.12285	2.3
221.09630	3.2
221.13248	3.5
222.10365	4.5
223.11261	10.8
223.14818	5.4
224.12051	3.0
225.12802	4.7
225.16426	4.2
227.10542	2.4
229.21405	2.2
233.09535	6.2
233.13347	2.5
234.10397	1.9
235.11118	4.3
235.14812	4.1
236.11922	2.1
237.12701	5.9
237.16348	3.6
239.10789	3.1
239.14296	2.2
239.17998	2.5
241.12294	4.8
241.15825	2.3
243.21063	6.0
245.09579	2.0
245.13130	2.3
246.10310	2.1
248.11894	4.3
249.12743	3.7
251.10645	3.8
251.14297	7.6
253.12219	2.6
253.15810	2.3
253.18019	18.1
254.14706	2.2
255.15953	6.8
261.16248	2.4
261.22141	11.4
263.14246	6.8
265.12262	3.2
265.15854	4.0
265.19592	2.7
267.13773	5.8
269.11774	6.9
269.15103	1.9
271.19025	32.4
273.12927	2.4
276.11523	3.3
279.13712	3.6
279.21054	2.3
281.15289	7.9
285.18518	2.9
289.19614	1.9
291.13840	9.1
297.14999	3.1
307.20575	6.5
309.14838	24.0
321.22238	6.2
325.21677	8.4
327.15851	26.7
335.25784	100.0
336.26340	3.3
339.23135	8.0
349.21631	14.5
365.20944	2.3
367.22778	16.2
385.23703	3.4
413.39029	2.0
439.35547	2.5
467.37454	2.9
513.39258	5.8
514.36395	3.7
515.37524	12.5
531.33051	2.9
531.40479	44.8
615.57922	2.1
647.37500	2.0
675.36053	4.1
693.37463	4.8
711.38739	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.4
55.01859	6.9
55.05498	31.6
57.07051	5.3
63.41565	4.2
67.05504	40.7
69.03410	31.1
69.07063	16.9
69.88930	29.0
71.04974	6.7
77.64722	4.6
77.95104	3.7
79.05491	57.5
79.17862	4.1
81.03395	8.9
81.07053	47.0
81.71194	4.4
83.04968	15.0
83.08613	8.8
91.04899	5.0
91.05469	91.0
93.07037	48.5
94.98399	4.5
95.04967	29.5
95.08607	40.6
97.06524	7.8
103.05466	6.1
105.06371	8.7
105.07022	96.3
105.07681	8.7
107.04940	21.9
107.08595	35.8
109.06506	17.5
109.10166	12.9
111.04433	4.6
115.05463	10.9
117.07018	44.5
119.08564	77.7
121.06480	22.0
121.10147	19.2
123.08068	11.1
123.11712	6.8
128.06203	30.0
129.07010	45.6
130.07782	6.1
131.08548	54.7
133.06471	19.3
133.10129	51.7
135.08009	23.1
135.11728	8.7
137.05978	6.3
141.06975	29.9
142.07788	24.8
143.08549	45.9
144.05685	4.4
144.09103	5.1
145.06479	24.9
145.10101	45.5
147.08043	24.1
147.11665	36.7
149.09547	8.1
151.07458	8.4
153.06970	15.4
154.07759	13.4
155.08553	49.5
156.09338	6.8
157.06496	8.1
157.10130	53.1
158.10779	4.9
159.08058	37.6
159.11665	31.1
161.09604	14.9
161.13145	6.3
163.07512	9.9
165.06998	28.7
166.07762	14.4
167.08530	42.0
168.09322	14.6
169.06465	5.3
169.10120	49.6
171.08023	20.2
171.11687	33.2
173.09676	25.3
173.13251	12.8
175.07581	6.5
175.11198	25.2
175.14915	5.4
178.07671	13.2
179.08513	32.3
180.09320	17.7
181.06557	6.4
181.10080	47.1
182.10770	9.8
183.08067	14.5
183.11691	43.4
184.07260	8.1
184.08807	6.6
185.09595	33.8
185.13235	24.1
187.07552	5.4
187.11154	16.0
187.14796	11.5
189.09142	7.2
189.12708	5.0
190.07588	4.4
191.08554	15.7
192.09308	13.4
193.10120	42.5
193.12080	11.4
194.10892	14.5
195.08055	19.0
195.11639	54.0
196.08784	14.3
196.12411	8.4
197.09630	24.1
197.13217	28.1
198.10367	5.4
199.11203	17.8
199.14853	13.2
201.09097	10.8
201.12657	9.5
203.08656	10.3
203.10550	5.8
204.09294	5.0
205.10172	23.4
205.11983	6.1
206.10899	15.7
207.11644	35.7
208.08803	16.1
208.12366	5.7
209.09612	37.0
209.13240	38.7
210.10333	13.7
211.07629	6.1
211.11215	36.1
211.14761	24.3
213.09076	7.8
213.12697	13.0
213.16360	8.9
214.79926	4.8
215.10587	9.1
215.17770	5.2
216.09248	6.0
217.10193	8.8
217.12256	4.7
218.10808	7.9
219.08046	6.1
219.11726	18.2
220.08757	7.8
220.12471	13.1
221.09573	13.1
221.13271	22.1
222.10327	24.0
222.13809	5.1
223.11165	51.1
223.14780	36.5
224.11920	10.0
225.09212	6.9
225.12730	22.9
225.16379	17.8
227.10738	5.2
227.14304	9.5
229.15814	9.2
230.10857	6.3
231.11717	10.1
232.12585	6.5
233.09633	28.3
233.13223	20.2
234.10301	9.5
235.11116	16.1
235.14795	27.7
236.11928	8.3
237.09059	6.2
237.12695	25.1
237.16380	20.5
238.09921	6.1
238.13417	6.1
239.10669	17.0
239.14307	17.6
239.18053	6.3
241.12238	20.8
241.15884	6.0
245.13292	9.2
246.10153	5.1
247.11150	14.2
247.14825	12.1
248.11937	25.4
248.70996	4.7
249.09073	8.1
249.12607	23.2
249.16344	7.2
251.10612	21.1
251.14308	27.1
251.17883	6.7
253.12209	12.9
253.15820	19.1
255.17465	7.1
257.15213	7.0
261.12698	7.4
261.16418	9.9
263.14252	42.3
263.17831	6.2
265.12280	14.8
265.15848	17.5
265.19452	10.8
267.13782	18.3
267.17322	5.6
269.11765	31.8
269.15192	6.3
271.17068	6.8
273.12656	10.0
275.14200	6.9
276.11469	17.3
279.13858	18.1
279.17111	7.6
279.21051	13.5
281.15341	36.2
281.18320	6.0
283.16843	4.7
289.19489	12.9
291.13785	38.9
297.14880	10.9
299.16156	6.6
303.21033	11.5
305.18790	8.6
307.20486	37.6
309.14844	91.7
321.22198	33.8
323.19879	6.5
325.21658	39.5
327.15900	100.0
331.20599	20.6
339.23138	28.9
349.21594	88.8
350.21899	7.9
367.22635	81.3
385.23566	11.4
657.35291	8.4
675.36127	19.3
679.32721	5.5
693.37555	27.9
711.38855	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.0
55.01860	10.3
55.05496	15.4
57.03420	5.8
65.03929	6.8
67.05502	45.9
69.03423	24.8
69.07050	15.6
70.06174	18.8
71.04972	12.0
79.03951	5.1
79.05486	63.0
81.07050	59.3
83.04987	8.8
83.08598	8.7
91.05472	86.4
93.07033	54.3
95.04935	23.1
95.08604	51.2
97.06513	5.5
105.07024	65.7
107.04947	16.9
107.08590	28.4
109.02866	6.3
109.06495	14.2
109.10113	12.2
115.05447	11.4
116.06178	5.6
117.06993	45.3
119.08562	41.8
121.06499	5.8
121.10119	14.1
123.08034	8.0
128.06226	18.4
129.07018	43.8
130.07755	6.6
131.08563	46.2
133.06512	21.9
133.10123	30.7
135.08044	13.8
135.11699	9.0
137.05957	5.6
137.13226	8.6
141.06984	30.6
142.07816	22.0
143.08554	53.7
145.06509	14.3
145.10106	42.9
147.08032	17.8
147.11670	15.5
149.09590	8.0
151.07504	4.9
152.51312	5.2
153.06998	21.4
154.07739	12.6
155.08556	52.4
156.09315	11.3
157.06480	5.8
157.10103	49.2
159.08060	29.3
159.11658	18.3
161.09615	12.1
161.13251	7.8
165.06931	24.3
166.07771	17.0
167.08530	37.1
168.09282	14.3
169.10097	53.1
171.08035	20.5
171.11664	25.5
172.08778	6.6
173.09653	26.0
173.13257	12.8
175.07426	4.9
175.11183	16.7
177.08887	5.7
178.07748	14.6
179.08528	36.5
180.09367	17.9
181.06476	6.6
181.08635	7.3
181.10086	55.5
182.07277	4.5
182.10873	11.5
183.08078	14.2
183.11693	39.9
184.08820	6.2
185.09561	22.5
185.13258	15.5
187.07578	4.8
187.11197	11.3
187.14842	9.4
190.07651	5.0
191.08569	11.9
192.09251	11.6
193.10152	39.7
193.11949	7.8
194.10893	17.3
195.08115	19.7
195.11685	64.6
196.08809	9.9
196.12323	4.6
197.09567	18.3
197.13181	23.7
198.10260	7.5
199.11133	14.1
199.14796	9.5
201.09073	4.7
203.08632	5.0
203.10562	5.4
204.09291	7.1
205.10176	20.4
205.12007	6.5
206.10825	17.9
207.11668	32.8
208.08801	15.7
208.12325	7.7
209.09641	24.7
209.13252	48.1
210.10437	11.7
211.07718	5.6
211.11145	30.5
211.14845	21.9
213.09041	4.9
213.12744	15.8
213.16345	10.5
215.08615	5.4
215.10625	5.7
215.14261	5.1
216.09334	4.8
217.10173	7.3
217.12170	7.0
218.10797	5.9
219.08023	7.1
219.11664	13.2
220.12421	13.9
221.09732	20.4
221.13200	15.6
222.10376	17.7
223.11168	42.2
223.14738	33.4
224.11897	13.1
225.09120	13.4
225.12701	21.8
225.16354	17.6
226.09821	5.7
227.14313	6.0
230.10945	6.9
231.11740	7.4
232.12344	6.1
233.09654	28.2
233.13283	11.9
234.10280	11.4
235.11143	15.0
235.14812	19.4
236.11920	11.8
236.15366	4.6
237.09053	4.5
237.12708	18.8
237.16357	14.2
238.13379	7.3
239.10645	10.4
239.14275	11.8
241.12140	14.3
241.15901	7.0
243.13902	5.6
245.09528	6.2
245.13269	9.5
246.10278	6.0
246.13760	5.1
247.11212	13.9
247.14774	8.9
248.11961	24.5
249.09047	6.3
249.12694	19.0
249.16476	5.2
251.10599	20.1
251.14331	30.9
251.18057	6.5
252.11383	7.6
253.12222	12.7
253.15906	16.2
255.13637	5.6
261.09207	6.7
261.12607	7.4
263.14304	37.6
263.17160	5.9
263.17856	5.0
264.74341	4.5
265.12213	8.4
265.15976	11.4
265.19345	9.9
266.12982	7.2
267.13889	19.9
267.16840	5.5
269.11737	15.7
269.15356	5.7
271.16983	4.8
273.12759	8.4
275.14160	4.8
276.11288	8.0
277.15845	5.5
279.13773	18.0
279.17334	5.8
279.21045	14.0
281.15433	31.9
281.18341	5.9
283.16904	5.8
289.19485	8.2
291.10910	4.7
291.13669	27.4
297.14691	13.4
303.17514	4.6
303.20972	6.4
305.18954	5.5
307.13254	4.7
307.20569	24.2
309.14899	84.5
311.16437	5.5
321.22159	24.2
325.21771	31.1
327.15869	89.3
331.20407	10.8
335.25671	7.9
339.23062	25.4
345.16776	6.7
349.21548	57.6
367.22675	67.6
368.22882	5.8
385.23471	16.8
515.37103	10.8
522.38452	6.7
607.47607	4.6
675.36572	12.9
693.37830	27.8
711.38788	100.0
712.38867	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	710.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13592	0.3
55.01873	3.1
55.05263	0.6
55.05509	9.6
55.95874	0.3
57.03435	11.3
59.05005	0.5
61.02914	1.1
63.77641	0.4
65.03940	1.4
67.05502	16.2
69.03422	4.0
69.07070	4.9
70.06589	0.5
71.04985	3.1
73.02901	0.5
79.05488	16.8
81.03413	73.8
81.07051	17.8
82.03751	0.6
82.07411	0.5
83.04978	9.3
83.08614	19.6
85.02901	10.9
85.03411	0.4
85.06537	1.3
86.09695	0.5
87.04467	0.5
91.05476	22.3
92.05831	0.4
93.07036	13.1
95.04962	25.2
95.08601	7.6
96.05329	0.6
97.02887	3.3
97.06522	2.9
97.10165	5.2
99.08097	0.7
101.68461	0.4
103.05452	1.0
105.07026	15.6
107.04201	0.6
107.04951	12.6
107.08589	6.5
108.05283	1.3
109.02852	0.7
109.06514	4.6
109.10137	3.7
111.04433	2.4
111.08072	7.5
112.58720	0.4
113.06026	1.1
115.05454	1.3
117.07013	2.2
119.04939	4.0
119.08578	15.8
120.05254	0.7
121.02876	0.5
121.06504	3.4
121.10130	7.8
123.04414	2.9
123.08072	1.9
123.11716	1.3
124.04737	0.4
125.06036	0.5
125.09624	3.4
127.03912	0.8
128.06241	0.7
129.05524	0.5
129.07004	10.8
129.90799	0.3
130.07323	0.4
131.04926	1.2
131.08563	11.1
133.06491	4.4
133.10121	7.9
135.08101	1.1
135.11661	0.9
137.05974	1.2
137.09607	2.3
139.03902	1.6
141.06970	0.7
142.07777	1.7
143.08553	1.2
145.06493	4.6
145.10117	2.3
147.04411	4.8
147.08052	3.9
147.11671	9.8
148.04791	0.9
149.02356	0.6
149.09612	6.9
151.03853	0.5
153.01804	3.4
155.08565	1.2
157.06538	1.2
157.10123	13.3
159.08075	1.3
161.05983	0.9
161.09619	0.7
163.07581	0.6
163.11165	1.9
165.12782	2.0
167.03445	0.6
167.07074	0.6
167.08434	0.6
169.06468	0.7
169.10045	0.5
171.04411	0.6
171.08052	1.2
171.11700	0.7
173.09608	0.7
173.13298	0.9
175.11168	11.9
177.05510	0.6
177.12811	0.5
177.67635	0.4
184.07338	1.6
185.06000	0.8
185.09598	0.7
185.13255	0.5
189.05556	0.9
189.11240	1.2
189.12749	0.6
191.03345	0.8
193.12233	31.8
194.12552	0.5
195.11636	0.8
197.09662	0.5
197.13206	0.9
199.11224	0.6
203.14374	0.5
204.08765	0.5
205.12193	1.0
211.11324	0.8
211.13268	14.7
211.15257	0.8
212.13472	0.5
213.12703	0.6
217.12285	0.5
219.13747	0.8
227.07040	0.6
227.12621	0.7
227.14499	0.7
229.14374	1.0
229.30525	0.5
231.06534	1.5
231.13753	0.7
232.06856	0.7
233.15417	1.0
237.12682	0.6
237.14931	0.5
243.06461	0.6
249.14845	1.6
255.13850	2.1
256.06696	0.5
257.15311	0.6
259.15567	0.5
267.15900	100.0
268.16211	2.4
273.07535	2.3
273.14859	3.1
274.07886	0.8
285.16946	16.0
293.17499	0.6
301.14246	0.6
309.16956	0.6
321.22049	0.7
323.19504	0.5
339.23114	0.8
341.21146	1.4
349.21539	2.8
357.24258	0.7
367.22650	8.4
385.18713	0.5
385.23718	10.1
403.24664	2.6
405.24344	1.1
415.24484	0.6
421.08823	0.6
422.09076	0.7
431.27573	0.5
433.25861	13.7
434.09683	0.7
441.26370	6.3
459.27393	66.0
460.27884	2.5
477.28464	45.4
478.28903	1.4
495.29056	2.2
498.98318	0.4
519.29266	1.8
529.30988	0.7
540.13336	1.3
556.13641	0.6
603.31580	0.5
676.36938	0.5
692.36267	1.0
710.27301	0.4
710.37946	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	710.387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37369	0.1
55.01870	0.2
55.05494	0.5
56.05025	0.4
57.03435	0.4
58.06635	0.4
59.07385	0.2
60.08159	6.2
61.02913	0.2
67.05495	1.3
69.03426	0.3
69.07050	0.4
70.06590	0.3
71.04970	0.1
71.07364	3.0
71.42506	0.1
71.42839	0.1
75.46951	0.1
77.85459	0.1
79.05495	1.0
81.03409	2.0
81.07049	1.0
82.03712	0.1
83.04962	0.4
83.08610	0.5
85.02898	0.5
86.09697	29.9
91.05471	1.3
93.07033	0.8
95.04965	1.0
95.08600	0.7
97.02883	0.4
97.06507	0.2
97.10188	0.2
98.98448	2.7
99.08122	0.2
100.07577	0.2
101.31023	0.1
104.10718	1.9
105.07021	0.9
107.04945	0.5
107.08582	0.3
108.08037	0.1
109.10159	0.2
111.08062	0.2
117.07012	0.2
119.08565	0.7
121.06479	0.2
121.10141	0.4
123.04424	0.5
123.08115	0.2
124.99992	18.8
127.03893	0.2
128.06184	0.1
129.06999	0.4
131.08569	0.4
133.10130	0.4
134.33565	0.2
135.04424	0.1
135.07941	0.1
137.05997	0.1
137.09505	0.1
139.03893	0.4
143.01041	0.6
147.04390	0.4
147.08006	0.2
147.11650	0.6
149.09636	0.2
151.03778	0.1
153.01791	0.5
157.10123	0.4
163.11159	0.3
166.02640	0.2
167.07050	0.2
175.11154	0.3
181.12093	0.2
184.07323	100.0
185.07643	0.4
191.03371	0.1
193.12213	0.8
203.65941	0.1
204.87502	0.1
211.13225	0.6
267.09140	0.1
267.15875	1.5
283.15436	0.2
285.10104	0.2
285.16989	1.1
303.91638	0.2
445.26288	0.2
450.22842	0.2
459.27426	0.9
477.28412	1.7
495.29446	0.9
591.28534	0.2
601.68323	0.2
660.35016	16.2
661.34875	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
55.01862	2.7
65.03927	1.9
67.05492	1.3
68.99786	7.0
69.03428	1.7
70.06596	1.1
71.60009	1.0
77.03920	1.3
79.05486	1.9
81.03418	3.0
83.04962	0.7
85.02901	1.3
86.41693	0.5
91.05475	11.7
93.03400	0.9
93.07064	0.6
95.04969	6.3
97.02902	0.7
103.05473	0.7
105.03427	1.0
105.04514	0.6
105.07022	1.8
107.04948	95.6
109.02899	1.2
111.00794	4.4
111.04430	2.5
115.05447	1.3
117.07002	0.6
119.04936	68.2
121.02859	7.4
121.06493	0.8
123.04422	94.1
124.04736	0.8
127.03892	5.5
128.06216	0.7
129.06970	0.6
131.04935	2.0
131.08446	0.6
133.06477	6.3
135.04422	3.7
137.02313	1.3
139.03896	34.0
141.06975	1.0
143.04887	0.6
144.05676	0.6
145.06485	10.0
145.43852	0.5
147.04399	100.0
148.04732	1.3
149.02351	8.4
149.05910	0.7
149.26865	0.6
151.03894	20.3
152.06149	0.5
153.01805	4.5
153.06949	0.9
155.08543	0.8
157.06487	4.9
159.04399	1.2
159.08057	0.9
161.02354	1.0
161.05974	6.6
163.03902	10.1
163.07521	0.7
165.05464	3.1
165.06833	1.0
167.03394	13.0
167.04684	0.5
169.06500	1.6
171.04390	10.2
171.08012	1.0
173.06067	0.6
175.03903	5.5
177.05460	3.0
179.03381	11.9
181.04977	1.1
181.06497	2.2
185.05934	5.0
187.03900	2.3
187.07510	3.2
189.05450	11.5
191.03377	15.1
193.04950	5.2
197.06026	2.1
199.07509	3.7
199.47583	0.6
201.05469	5.5
203.03365	13.6
203.07050	2.4
205.04955	1.7
205.09807	0.7
207.06479	0.7
211.07678	0.7
213.05461	6.7
215.03461	2.0
215.07086	2.3
217.01291	1.8
217.05016	2.7
219.41219	0.6
223.02306	0.7
225.05464	1.7
227.06998	4.5
227.74527	0.7
229.04927	5.1
231.06503	56.2
233.04442	5.3
235.02222	1.0
237.05447	0.8
239.07056	3.9
241.04964	1.1
243.06520	9.7
245.04436	8.8
245.08002	4.2
247.06081	0.9
251.05507	1.6
255.06506	16.2
257.04437	10.4
257.08096	2.0
259.05957	1.0
267.06503	8.2
269.04388	6.8
271.06055	1.7
273.07553	37.7
275.05484	14.1
277.03357	1.6
279.06375	0.8
281.08102	0.9
283.06018	1.5
285.07565	21.1
287.05484	27.3
291.08633	0.7
297.07501	1.4
299.05505	5.6
303.01349	2.3
307.05978	0.7
309.03958	1.3
309.07523	0.9
311.05573	1.0
325.03290	0.6
325.07010	1.5
361.06805	1.4
373.14008	1.5
377.10342	3.0
379.07822	0.8
391.08163	4.0
393.09668	20.1
395.11240	0.8
405.09561	0.9
409.09119	7.6
411.10742	5.4
419.11203	2.9
421.09106	3.8
423.10645	0.7
431.11526	0.6
433.09055	1.2
437.12198	1.1
445.08994	0.6
461.07251	0.5
513.11249	0.7
525.06403	0.6
527.13153	1.3
541.14685	2.1
545.14166	1.2
555.12445	3.1
573.13629	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20401	0.4
50.27499	0.4
53.03933	2.0
55.01870	1.6
55.05267	0.4
55.05513	6.6
57.03433	9.8
57.07065	0.9
61.02916	1.0
65.03927	1.2
67.05502	27.1
69.03425	1.7
69.07066	9.7
70.61164	1.1
70.61565	0.8
71.04996	3.2
73.02908	0.4
73.23763	0.4
79.05491	18.1
81.03415	41.1
81.07054	36.2
81.07755	0.6
82.03739	0.7
82.07382	0.6
83.04971	5.2
83.08138	0.8
83.08619	13.2
83.09113	0.7
85.02891	1.4
85.06545	2.6
91.03973	0.5
91.04894	0.7
91.05474	14.8
93.07040	27.0
94.07362	0.5
95.04966	15.9
95.08602	9.9
97.02880	1.6
97.06524	5.0
97.10159	1.7
99.08092	1.7
105.07025	8.1
107.04951	3.2
107.07862	0.7
107.08587	14.0
109.06516	2.5
109.10161	2.8
111.04419	1.1
111.08087	6.5
113.06041	0.7
117.07007	4.9
119.04951	0.7
119.08578	6.7
121.06523	2.4
121.10133	10.3
123.04430	0.5
123.08054	1.2
123.11725	1.7
125.09636	0.9
127.04002	0.4
127.07545	0.5
129.07002	4.7
130.07755	0.5
131.08575	7.5
132.08882	0.5
133.06522	1.6
133.10121	6.5
135.08032	1.5
135.11681	3.2
137.09567	1.0
138.97784	0.4
142.07825	1.0
145.06494	0.9
145.10112	1.0
147.04465	0.5
147.08043	2.0
147.11662	3.9
149.09619	3.1
149.13251	13.1
151.11165	0.9
157.10114	6.0
159.11691	6.6
163.11180	0.9
165.12794	1.4
169.10149	0.6
175.11169	5.2
177.12738	3.1
193.12225	11.5
195.13757	4.5
199.14825	0.4
205.12346	0.6
211.13348	1.5
217.15990	0.5
249.14966	1.0
267.15909	44.7
268.16306	1.9
269.17468	51.5
270.17804	2.1
296.29636	0.4
340.01855	0.4
343.22714	0.5
369.24194	0.8
387.25439	0.8
417.26657	0.8
435.27573	5.2
443.27969	3.1
453.28378	0.9
461.28970	100.0
462.29312	7.4
479.30228	2.4
503.30035	1.4
511.32620	0.7
513.97113	0.5
569.30975	0.7
649.05493	0.5
709.37396	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03090	0.6
51.31886	0.5
53.03938	2.2
53.93069	0.5
55.01861	2.6
55.05506	16.9
56.05822	0.5
57.03151	0.7
57.03429	12.3
57.07063	2.0
59.04984	1.7
61.02918	3.9
65.03934	2.0
67.05496	64.4
68.05831	0.7
69.03426	5.3
69.07061	11.8
70.92177	1.6
71.04984	26.0
73.02904	2.3
73.06549	0.9
77.03917	0.6
79.05483	33.9
80.05848	0.8
81.03410	47.9
81.07047	100.0
82.03748	0.9
82.07372	1.6
83.04973	15.0
83.08609	21.5
85.02894	20.2
85.06531	10.7
87.04471	0.9
91.03940	1.9
91.05470	42.0
92.05814	0.9
93.07032	30.7
93.89426	0.5
94.07375	0.6
95.04352	1.2
95.04961	22.3
95.08595	16.0
97.02879	5.0
97.06509	7.7
97.10159	4.2
99.04474	0.7
99.08100	1.9
101.06041	0.6
103.03895	0.5
105.07018	27.0
106.07322	0.6
107.04948	8.1
107.08578	17.4
109.02814	0.7
109.06503	5.9
109.10142	8.3
111.04453	2.3
111.08068	9.2
111.08768	0.9
113.06016	1.7
115.05439	1.1
117.07017	4.9
119.08563	16.3
121.06492	2.9
121.10128	10.5
121.11005	0.6
123.08030	2.6
123.11692	15.3
123.12576	1.0
125.09618	1.6
127.07550	0.9
129.06990	8.1
131.08559	12.8
133.05606	0.5
133.06509	2.2
133.10114	24.9
134.10526	0.5
135.08034	1.3
135.11720	4.0
137.09625	1.9
139.11119	0.5
142.07761	2.1
143.08566	0.6
145.06494	0.8
145.10129	2.3
147.08092	3.0
147.09045	0.6
147.11674	12.3
148.11969	0.6
149.09584	4.5
149.13261	6.7
151.11186	7.2
157.10118	11.1
159.08051	0.7
159.11696	4.8
161.09592	0.5
163.11208	2.1
165.12770	3.1
169.12202	1.0
173.13255	0.6
175.11171	12.3
177.12759	3.0
183.13853	2.1
187.13301	4.3
189.11240	0.6
193.12228	28.2
194.12526	1.2
195.13817	3.0
211.13266	27.1
212.13634	0.7
213.14838	0.9
225.14885	1.5
227.12868	0.7
231.13899	0.5
243.15918	2.9
249.14842	0.9
253.18057	1.5
257.17548	2.2
267.15884	24.5
268.16193	0.9
269.17444	15.8
270.17767	0.8
283.15469	0.8
285.16916	19.4
286.17264	0.7
301.16623	0.5
301.20016	12.8
315.23697	0.6
343.22836	0.8
349.23849	0.9
361.23651	0.5
369.24429	0.9
372.95285	0.6
417.26443	2.2
435.27405	23.7
436.27832	1.9
443.27969	3.9
453.28427	59.0
454.28784	3.7
461.28943	55.4
462.29367	5.0
467.29965	9.5
467.36542	0.5
468.30408	0.6
479.29990	45.5
480.30383	4.0
493.31744	2.7
511.32675	48.8
512.32892	3.1
619.65375	0.6
623.33929	0.8
655.36646	0.8
708.39227	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.8
53.03928	2.9
55.01626	1.2
55.01871	15.4
55.05507	30.2
57.03432	28.1
57.07053	2.5
58.39230	0.6
59.04979	1.8
60.02133	1.1
61.02923	7.6
65.03921	1.8
67.05499	46.6
68.92352	0.7
69.03423	9.7
69.06724	0.8
69.07063	13.0
70.04169	0.6
70.85213	1.6
71.01335	1.8
71.04985	7.1
73.02911	6.8
75.17681	0.7
77.03917	0.7
79.05488	44.4
80.06252	1.3
81.03414	86.6
81.07051	40.6
82.04187	5.7
83.01307	1.0
83.04476	1.5
83.04973	27.4
83.08612	33.8
84.02099	1.2
84.05740	1.3
85.02898	32.4
85.06533	4.3
87.04453	1.3
91.03935	3.0
91.05476	44.3
93.07039	32.4
94.04192	1.1
95.04963	42.6
95.08603	17.1
95.09193	0.5
96.05724	1.6
97.02874	10.7
97.05992	0.9
97.06524	10.2
97.10171	16.6
98.07307	6.6
99.04424	2.4
99.08060	3.0
101.06001	1.3
103.05446	1.2
105.04559	0.8
105.07024	28.1
107.04946	12.5
107.07851	1.3
107.08585	19.3
108.05713	1.0
109.02892	0.9
109.06519	9.1
109.10149	14.5
110.07291	0.9
111.04431	5.1
111.07359	1.2
111.08073	17.7
113.05981	3.4
115.05445	2.7
116.03949	1.1
116.04710	14.6
117.05480	0.9
117.07008	5.3
119.04884	2.0
119.08569	29.2
120.11356	0.7
121.06484	4.5
121.10135	12.6
123.04418	1.8
123.08069	7.8
123.11678	1.0
125.05929	0.9
125.08743	1.2
125.09620	18.0
127.03866	1.9
127.07531	1.7
127.11156	2.2
128.06181	0.8
129.05476	39.1
129.06961	15.1
131.08556	18.6
133.06462	2.9
133.10126	18.9
135.08075	4.4
135.11687	5.9
136.08774	1.5
137.09630	5.0
139.07509	1.3
139.11134	0.7
142.07761	3.2
143.07033	8.8
143.08134	1.1
143.08525	0.7
143.10625	1.9
145.04895	0.7
145.06447	1.0
145.10106	6.8
147.08040	5.5
147.11681	21.7
149.09598	9.0
151.11203	1.9
153.01805	1.5
153.09074	1.9
153.12741	4.1
155.08487	1.6
155.10628	0.8
157.08577	15.5
157.10094	20.8
157.11430	1.1
158.05684	1.6
163.11185	9.8
164.11943	1.4
165.12729	5.2
171.06506	3.3
171.10150	6.4
173.09569	2.1
173.11772	5.4
175.11177	22.2
175.12704	1.1
181.12262	3.7
185.08009	1.4
185.11659	1.9
185.13167	1.0
185.46935	0.8
189.11200	9.9
191.10648	3.8
192.11383	1.6
193.12233	75.2
194.12511	0.7
199.09633	1.7
199.11359	1.1
199.13271	18.9
200.13997	3.1
201.12912	0.9
201.14786	0.9
209.11717	9.4
210.12460	2.0
211.13275	100.0
212.13594	1.1
219.13852	0.7
223.13272	0.7
227.10538	0.8
227.12769	17.2
229.14343	4.0
231.13850	0.9
242.15039	0.8
243.15891	0.9
247.13306	3.7
249.14821	1.9
255.12335	0.9
255.15894	4.3
265.14432	1.2
267.15894	35.6
268.16376	0.9
269.17392	1.2
283.15427	15.2
283.18604	1.3
284.16061	1.8
285.16946	76.4
286.17191	1.2
298.17798	0.9
301.16437	92.5
302.16861	0.9
321.17047	1.4
339.17996	2.8
382.26971	0.9
391.24725	1.1
401.23254	0.8
409.25833	5.9
410.25995	0.7
421.25604	1.9
424.33344	0.7
427.26917	5.2
435.27451	0.8
439.26874	16.1
458.26663	1.3
459.27423	5.5
461.28885	2.2
475.27087	3.7
476.27652	4.5
477.28415	6.0
479.30011	1.5
493.27939	20.0
494.28763	7.7
511.28989	84.6
512.29401	2.3
635.73322	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.2
53.03935	7.5
55.01635	1.3
55.01863	9.4
55.05505	35.6
57.03432	16.3
57.07064	2.9
59.80323	1.0
65.03922	4.2
67.05497	78.3
69.03079	1.5
69.03423	22.9
69.06714	1.6
69.07061	19.5
70.18924	5.1
71.01343	1.6
71.04988	9.7
72.55434	1.0
73.02908	2.5
76.97092	1.0
79.05486	58.6
81.03412	100.0
81.07050	80.4
82.03728	2.0
82.07401	1.3
83.04971	40.5
83.08612	31.7
85.02431	1.3
85.02902	23.3
85.06531	4.6
86.09698	1.5
87.04420	1.5
89.06025	1.0
91.05473	52.9
91.72623	1.0
93.07037	58.7
94.07355	1.2
95.04955	32.0
95.08598	52.3
96.08885	1.2
97.02888	24.6
97.06528	8.4
97.10143	7.2
99.04455	7.3
99.08079	2.2
103.03948	1.5
103.05476	1.0
105.07022	39.7
107.04962	7.8
107.08585	30.9
109.02851	10.7
109.06515	6.8
109.10148	23.0
111.04425	18.3
111.08073	11.9
113.05980	2.3
115.05465	1.9
117.07000	12.3
119.04914	1.6
119.08575	33.2
121.06474	4.7
121.10130	31.7
123.04430	2.5
123.08065	4.1
123.11712	8.3
125.05962	1.1
125.09595	3.5
127.03888	10.5
128.06201	2.3
129.05495	11.9
129.06987	15.0
130.07808	1.4
131.08549	22.1
132.10324	1.0
133.06462	4.0
133.10115	21.0
135.08017	2.9
135.11678	17.6
137.05923	1.3
137.09570	2.0
139.11160	1.7
141.06993	1.7
142.07729	3.8
143.08528	4.7
145.06473	2.3
145.10109	16.7
147.08032	4.3
147.11679	22.3
149.09596	6.7
149.12210	1.2
149.13248	8.4
149.33060	0.9
151.11198	1.5
153.06964	1.4
153.12724	4.4
155.08510	3.3
157.06505	1.3
157.10118	16.8
159.08028	2.0
159.11665	8.1
161.09572	2.2
161.13258	5.6
163.11177	9.0
163.14818	3.1
165.12698	6.7
167.08594	1.7
169.10097	3.8
171.08031	2.0
171.11674	4.6
173.09579	2.3
173.13275	8.7
175.11174	14.8
175.14783	3.2
177.12671	1.1
181.10127	1.9
181.12225	6.7
183.11661	2.9
184.07300	4.0
185.07704	1.4
185.09618	1.9
185.13264	1.8
187.11266	1.3
187.14769	3.6
189.11188	2.6
189.12714	2.1
191.10637	5.7
193.12228	50.0
195.11716	2.0
197.13228	1.9
199.14841	2.7
207.11754	1.2
209.11714	2.3
211.13268	74.5
227.12717	11.5
229.14299	4.8
241.19461	1.4
243.21027	4.4
249.14943	2.0
259.20404	2.6
261.22144	13.1
263.23572	1.4
267.15878	14.7
277.21683	1.9
283.15207	7.4
285.16934	27.0
285.21860	1.4
299.23615	2.1
301.16595	1.6
301.21658	1.9
301.25424	1.2
303.22894	2.4
317.24820	3.1
333.24237	1.5
335.25778	61.2
336.26178	2.9
337.16287	1.5
337.27466	9.1
345.24429	1.4
351.23111	4.4
355.17410	3.5
363.25644	1.2
369.24194	6.7
377.26495	1.2
387.25131	4.5
405.26163	3.8
411.19962	2.0
427.19424	2.0
429.21173	15.3
435.32419	2.1
443.27936	3.6
453.33459	2.2
461.28986	5.0
479.29797	2.8
509.37228	1.1
527.37274	13.8
540.20728	1.1
543.36493	1.3
545.38318	64.6
546.38611	4.6
561.38031	1.7
563.38660	1.5
600.41095	1.4
635.40009	1.2
653.40814	6.0
654.39691	1.2
671.41663	7.8
689.42578	31.0
690.42578	2.6
693.28992	1.2
707.43762	10.5
710.43634	1.1
727.70630	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.3
54.37659	1.4
55.01868	6.3
55.05508	26.8
56.00080	1.4
56.24197	1.3
57.03433	14.6
57.07072	1.8
58.99845	1.3
62.97306	1.4
65.03939	4.5
65.47964	1.5
66.86287	1.5
67.05502	67.3
69.03425	22.5
69.07069	17.6
70.79957	5.3
71.05013	9.1
73.02918	3.1
78.50735	1.4
79.05487	51.7
81.03413	100.0
81.07051	75.0
83.01299	1.6
83.04971	32.7
83.08615	25.8
85.02905	16.5
85.06530	3.0
91.05473	44.5
93.07036	47.3
95.01321	1.9
95.04962	32.2
95.08600	44.8
96.78217	1.5
97.02888	19.5
97.06535	9.9
97.10178	7.5
99.04452	6.4
99.08093	3.9
105.07026	34.8
105.88767	1.5
107.04925	9.8
107.08587	33.0
107.45795	1.8
109.02870	11.1
109.06530	6.1
109.10144	22.3
111.04429	16.9
111.08086	11.9
115.05459	2.2
117.07015	11.4
119.08566	30.3
121.06500	4.4
121.10130	25.8
123.04418	2.9
123.08095	3.4
123.11701	9.6
125.09631	3.8
127.03912	5.6
128.06259	2.6
129.05505	9.0
129.06990	13.6
131.08553	28.5
133.06467	4.6
133.10107	22.9
135.08080	5.0
135.11682	15.1
137.09586	3.2
137.13266	2.7
141.06941	1.8
142.07796	3.7
143.08603	6.3
145.06570	2.4
145.10118	17.8
146.10448	1.8
147.08049	7.8
147.11668	23.7
149.09616	7.1
149.13235	4.4
153.12743	6.7
155.08540	3.7
157.06508	2.1
157.10100	14.5
159.07901	1.8
159.11671	9.0
161.13228	5.7
163.11163	9.7
163.14793	1.7
165.12738	5.4
167.07054	1.6
167.08636	1.8
169.10095	4.0
171.08054	1.6
171.11685	6.2
173.09656	3.8
173.13312	6.6
174.81116	1.7
175.07692	1.5
175.11160	14.0
175.14865	2.2
181.10168	2.2
181.12245	8.6
183.11705	3.6
185.09612	3.1
185.13208	7.1
187.14861	2.6
191.10649	6.0
193.12227	41.2
195.11696	2.6
196.10495	1.5
197.13307	3.0
199.14879	2.9
201.12811	1.9
209.13289	2.2
211.13251	60.7
213.12866	1.8
215.14182	1.7
217.15938	1.8
227.12767	14.1
229.14360	5.9
243.21016	3.6
258.05603	1.4
259.20453	3.7
261.22067	10.2
267.15863	17.9
275.16412	1.7
279.23267	2.3
283.15317	7.1
285.16888	23.8
285.21921	3.0
300.10895	1.5
301.21732	3.1
303.23199	2.6
315.23199	2.7
317.24918	2.7
319.15424	1.9
335.25754	32.3
337.16852	2.2
337.27353	9.3
339.22699	1.8
341.24814	2.0
345.24393	2.1
351.23105	4.6
353.15829	1.7
355.17380	3.1
369.24139	9.1
387.20776	1.5
387.25333	7.0
405.26111	3.7
427.19507	5.2
429.21088	12.3
435.32794	2.3
443.27875	4.8
461.29099	5.6
471.34311	1.8
479.30042	4.8
509.35947	2.7
527.37054	14.6
545.38293	44.5
546.38757	2.5
581.78827	1.7
600.51050	1.6
611.39496	3.0
615.38220	2.0
635.39197	2.2
653.40240	10.7
671.41943	8.5
689.42432	28.3
696.19531	1.6
707.43756	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	707.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.4
53.03941	8.1
55.01867	7.9
55.05509	31.8
56.16052	1.0
56.42007	1.1
57.03433	14.5
57.07071	8.3
59.04985	1.6
61.02912	2.1
63.58980	0.9
65.03927	3.2
67.05499	70.1
69.03426	23.1
69.07060	20.5
69.84938	4.9
69.85344	2.3
71.01333	1.0
71.04984	9.0
71.08625	1.0
73.02924	2.0
79.05489	45.6
81.03413	100.0
81.07052	72.9
82.07362	1.4
83.04976	38.0
83.08607	22.3
85.02905	19.4
85.06529	4.0
86.09682	1.2
87.04463	34.9
88.04780	4.4
91.05473	45.3
93.07037	53.2
95.04963	27.8
95.08599	45.0
97.02889	19.1
97.06519	9.2
97.10159	8.3
99.04456	7.2
99.08073	2.8
103.05449	1.3
105.07024	37.7
107.04946	9.2
107.08585	26.3
109.02872	13.1
109.06525	6.1
109.10148	20.0
111.04434	19.9
111.08073	13.5
113.06013	3.4
115.05447	3.4
117.07001	9.9
119.04952	2.1
119.08575	31.9
120.04532	1.1
121.06522	6.1
121.10126	25.4
123.04410	1.5
123.08046	5.2
123.11680	8.6
125.05977	1.3
125.09605	5.4
127.03901	9.3
128.06244	1.9
129.05502	7.3
129.06995	17.3
130.07741	1.2
131.08548	24.9
133.06433	3.7
133.10124	22.3
135.04442	1.5
135.08060	4.4
135.11678	13.6
137.05991	1.3
137.09608	3.2
137.13205	2.3
141.07016	2.3
142.07779	4.4
143.08548	9.0
145.06496	2.1
145.10120	17.5
147.08034	6.8
147.11676	21.7
149.05943	1.1
149.09589	9.0
149.13289	8.5
151.07521	1.4
151.11179	2.3
153.09099	1.5
153.12727	5.9
155.08530	4.7
157.10124	16.0
158.10756	1.2
159.08037	2.9
159.11655	10.0
161.09569	2.0
161.13258	6.2
163.11150	8.9
163.14821	2.5
165.06976	1.3
165.12750	3.1
167.08621	1.0
169.10135	4.7
171.08003	2.7
171.11678	6.1
173.09589	4.4
173.13240	6.6
175.11157	12.2
175.14790	2.9
177.12653	1.1
181.10144	2.8
181.12189	7.5
183.11661	3.1
184.07281	2.5
185.09566	1.7
185.13216	4.7
187.11156	1.9
187.14864	2.3
189.11227	1.4
189.12791	2.1
191.10661	7.4
193.10396	2.1
193.12222	37.9
195.11697	2.6
195.13731	1.4
197.13263	2.4
199.11186	2.0
199.14799	2.3
201.16365	1.4
209.11636	2.5
211.13260	53.5
211.15225	2.7
213.12701	1.8
213.16420	1.8
219.17494	1.4
223.14890	1.6
225.12738	1.1
225.16524	1.4
227.12755	10.9
227.14658	1.4
229.14192	4.9
239.14285	1.6
243.21153	1.4
249.14873	1.7
259.20514	2.3
261.22070	7.5
267.15863	15.0
273.22272	1.3
277.21585	3.1
279.23193	1.7
283.15500	7.2
285.16913	23.6
285.22049	1.8
287.19934	1.5
289.21240	1.4
301.21786	2.5
301.25006	1.9
301.71838	1.1
303.23190	2.8
307.20441	1.3
310.27002	1.1
315.22925	1.4
317.24405	1.4
319.15396	1.5
319.22607	1.3
327.22974	2.1
335.25757	25.5
337.27338	6.2
341.24649	1.8
345.24109	2.3
351.23108	3.8
353.16000	2.2
355.17404	3.4
369.24243	9.9
371.25775	1.5
387.25256	6.4
405.26358	2.4
411.20364	1.5
427.19556	3.5
429.21164	12.5
435.32495	2.5
443.27756	3.2
460.01520	1.2
461.28879	4.3
471.34146	1.3
479.29941	3.2
517.70410	1.1
527.37268	12.1
543.36536	1.7
545.38263	41.1
546.38568	1.9
561.37640	1.3
563.39551	2.2
611.39197	1.8
629.39948	1.9
635.39069	3.0
641.39722	2.0
653.40704	8.9
659.41473	1.2
671.41492	9.2
689.31689	1.7
689.42645	24.2
707.45105	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	707.4353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.0
53.98530	1.1
55.01868	8.4
55.05505	34.1
57.03432	16.2
57.07055	3.2
61.02898	2.2
65.03921	2.9
67.05499	77.3
69.03082	1.7
69.03426	24.6
69.07059	23.0
69.33780	1.9
69.34177	10.8
70.07397	1.3
71.01324	1.6
71.04980	8.9
73.02910	2.9
77.03906	1.3
79.05488	58.2
79.05957	2.8
81.03410	100.0
81.07050	83.6
82.07368	2.3
83.04976	38.1
83.08611	25.6
85.02434	1.3
85.02907	22.6
85.03414	2.0
85.06528	3.6
85.23238	1.2
87.04452	1.6
91.05474	52.1
93.07038	59.1
95.04964	32.7
95.08599	52.5
95.09113	0.9
95.09229	1.7
97.02888	25.3
97.06527	8.3
97.10175	8.7
98.21510	2.5
99.04456	6.2
99.08079	3.7
103.03938	1.2
103.05444	2.2
105.07021	39.4
107.04939	9.0
107.08581	29.6
109.02869	10.9
109.06507	9.6
109.10149	28.7
111.04433	18.6
111.08089	12.6
113.06016	1.7
115.05430	3.3
117.07021	10.6
119.04899	2.7
119.08570	36.3
121.06466	4.0
121.10124	30.6
123.04410	1.8
123.08041	4.0
123.11708	9.4
125.09613	4.7
127.03897	13.9
128.06206	2.4
129.05498	14.2
129.06987	16.8
131.04884	1.7
131.08556	25.2
133.06447	4.0
133.10114	22.0
135.08032	2.5
135.11678	16.3
137.09557	2.8
137.13232	2.6
141.06961	2.5
142.07765	4.2
143.08549	6.0
145.04973	1.7
145.06435	3.3
145.10123	15.3
147.07999	4.4
147.11676	24.0
149.09604	7.6
149.13261	7.7
151.11096	2.0
153.12735	4.0
155.08495	4.2
157.10121	17.9
159.07997	1.6
159.11638	9.3
161.09595	2.1
161.13264	4.8
163.11176	8.5
163.14841	2.9
165.12732	4.9
167.08548	1.5
169.10115	1.7
171.08049	1.5
171.11694	4.7
173.09662	3.2
173.13213	6.9
175.11192	14.3
175.14885	2.1
177.12708	1.3
181.10124	1.4
181.12213	7.1
183.11659	2.9
185.13235	5.1
186.97777	1.2
187.14752	2.6
189.11209	1.8
189.12790	2.2
191.10672	6.9
193.12228	41.1
195.11655	1.5
197.09602	1.4
197.13168	1.7
199.14796	2.3
209.11572	2.1
209.13307	2.2
211.13268	71.5
212.13548	1.9
223.14882	1.3
227.12764	14.3
229.14278	6.1
243.20993	3.3
259.20718	2.4
261.22134	10.3
263.23737	2.0
267.15906	16.1
279.23077	2.4
283.15308	6.3
285.16916	25.2
291.23099	1.4
299.23639	1.3
301.21521	2.3
303.23373	2.1
317.24744	3.5
324.61569	1.5
327.22754	1.2
335.25766	60.7
336.26129	1.9
337.16507	2.1
337.27316	8.9
341.24707	1.5
351.23108	3.6
353.16058	1.6
355.17627	5.6
369.24078	8.4
371.25888	1.2
377.26730	1.5
387.25189	4.9
405.26334	3.9
409.30304	1.3
411.19998	2.5
427.19675	3.2
429.21060	11.6
443.27927	3.2
453.33301	1.4
461.28851	3.4
479.29980	3.7
527.37500	13.9
545.38342	62.8
546.38580	1.6
563.39203	2.7
641.40173	1.7
653.40552	6.1
671.41553	6.0
689.42554	34.2
690.42627	2.2
707.43353	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	707.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82668	0.9
53.03944	4.7
55.01868	2.9
55.05509	12.8
57.03433	6.4
57.07069	1.2
59.67976	0.9
60.08158	6.8
60.22609	0.8
62.25944	0.9
67.05499	30.4
69.03420	8.9
69.07057	7.7
71.04982	5.7
71.07366	3.1
71.60769	1.2
79.05058	1.8
79.05486	20.9
81.03410	38.0
81.07050	32.1
83.04978	14.3
83.08608	10.0
85.02904	7.7
85.06544	1.9
86.09698	31.4
87.04450	1.2
87.10021	4.5
91.04926	0.8
91.05470	19.1
93.07033	22.9
95.04961	13.1
95.08039	1.7
95.08599	19.3
97.02884	8.3
97.06513	2.8
97.10173	3.7
98.98452	3.0
99.04444	2.4
104.10748	2.8
105.07021	15.7
107.04940	4.1
107.08595	14.5
109.02879	4.9
109.06505	3.4
109.10146	9.3
111.04420	6.9
111.08057	4.6
117.07013	6.1
119.08573	15.3
121.06533	2.6
121.10138	11.6
123.08045	2.0
123.11707	4.0
124.99078	1.4
124.99995	22.3
125.05958	1.1
125.09627	1.8
126.00360	1.4
127.03893	2.8
129.05466	3.2
129.06976	5.6
131.08551	10.0
133.06517	1.8
133.10124	8.8
135.08034	1.9
135.11696	5.8
141.07004	1.2
142.07784	1.4
143.08562	3.9
145.10068	8.0
147.08037	2.6
147.11650	8.6
149.09590	1.9
149.13286	1.8
151.11198	1.6
153.12698	2.1
155.08534	2.3
157.10107	7.6
159.11717	4.0
161.09669	1.5
161.13235	1.6
163.11169	4.8
163.14784	1.7
165.12839	1.3
169.10112	1.5
171.11699	1.9
173.13290	3.1
175.07492	0.9
175.11185	5.8
175.14774	1.7
179.14310	1.0
181.12247	3.6
184.07324	100.0
185.07681	14.2
185.13264	2.0
187.14760	1.6
191.10652	2.4
192.46359	1.0
193.12231	14.9
197.13234	1.9
211.13254	23.5
211.15199	1.3
227.12674	6.2
229.14348	2.6
232.20964	0.9
247.68243	0.9
261.22168	3.9
267.15903	6.4
283.15332	3.2
285.16913	11.9
301.21652	1.3
323.23648	1.3
335.25806	13.9
337.16516	0.9
337.27359	2.5
351.23215	1.3
353.16013	1.3
355.17371	1.4
369.24155	4.1
387.25348	2.1
405.26544	1.1
411.20242	1.7
427.19608	1.4
429.21179	6.1
443.28207	1.9
461.28870	2.2
527.37219	4.8
543.35583	1.2
545.38257	20.8
563.39178	1.4
611.39252	1.1
653.40784	4.4
671.41113	4.2
689.42657	11.0
707.46747	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	707.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
55.01856	2.5
55.05302	0.7
55.05515	8.2
57.03445	3.7
57.07068	1.3
60.08157	6.2
65.03922	0.9
67.05501	22.3
68.68864	0.8
69.03432	6.3
69.07070	5.9
69.46117	6.1
69.60643	0.8
71.01359	1.0
71.04977	3.3
71.07355	3.1
72.46077	0.7
76.37259	0.7
79.05064	0.9
79.05492	12.7
81.03416	30.6
81.07053	23.4
83.04975	9.2
83.08615	6.6
85.02898	7.3
85.06556	1.2
86.09704	27.9
86.10232	1.3
87.04455	2.4
87.09463	0.9
87.10033	4.7
91.05475	15.5
93.07037	15.8
95.04966	10.0
95.08038	1.3
95.08604	14.4
95.38258	0.7
97.02888	6.9
97.06512	2.8
97.10165	2.1
98.98465	2.8
99.04464	2.2
99.08067	1.5
104.10742	2.9
105.04565	1.0
105.07029	12.2
107.04944	2.5
107.08591	9.5
109.02863	3.0
109.06517	2.3
109.10162	7.2
111.04443	6.1
111.08094	3.9
113.05996	0.9
117.06261	1.0
117.06989	4.9
119.08601	9.4
121.06503	1.1
121.10141	8.6
123.08057	1.5
123.11683	3.5
124.99998	20.8
125.09599	1.0
126.00307	1.1
127.03906	2.6
129.05457	2.3
129.06964	4.4
131.04955	1.0
131.08545	9.1
133.06480	2.0
133.10144	6.7
135.11703	5.7
137.09587	1.4
139.11159	0.8
141.06966	1.1
142.07787	1.1
143.08554	1.3
145.06456	1.4
145.10146	5.5
147.08023	1.0
147.11685	8.2
149.09625	2.1
149.13240	1.8
151.11139	0.8
153.12701	1.6
155.08549	1.3
157.10120	5.0
159.07964	0.9
159.11674	3.0
161.13266	1.9
163.11163	3.1
165.12836	1.1
171.11635	2.7
173.09810	0.8
173.13271	2.9
173.79893	0.8
175.11188	3.2
181.12180	2.3
183.11685	1.4
184.07335	100.0
185.07719	14.9
185.09412	1.6
185.13251	1.1
191.10626	2.2
193.12259	9.7
195.11621	0.9
197.13287	1.1
199.11217	1.1
201.16570	0.9
207.11604	1.0
209.11552	0.9
211.13264	14.5
211.15041	0.9
217.56639	0.8
227.12796	3.4
229.14320	1.5
243.21153	0.8
248.45683	0.7
259.20563	1.0
261.22110	2.7
267.15909	4.6
277.21631	1.0
283.15335	3.0
285.16995	6.0
301.21457	1.0
317.24692	1.5
327.23148	1.0
335.25821	8.9
337.16360	1.5
337.27365	1.7
341.24817	0.9
351.23053	2.4
355.17450	1.4
357.24203	0.8
369.24194	2.5
387.25198	2.1
405.26538	1.3
412.91071	0.9
413.11096	0.7
427.19556	1.3
429.21133	4.0
443.28134	0.8
461.28943	1.2
479.30157	1.4
527.37140	3.1
545.38354	14.4
596.94537	0.9
609.45825	1.1
653.40356	3.2
671.41595	2.0
689.42676	7.4
690.42706	1.0
707.46912	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	706.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40121	1.3
55.01869	7.3
55.05503	15.6
56.09870	1.2
57.03429	7.3
57.07063	1.7
59.04995	5.9
61.02909	4.7
67.05503	48.8
67.96263	1.4
69.03413	4.5
69.07055	6.4
70.04294	1.3
70.64035	1.3
71.04989	22.8
73.06541	1.9
79.05062	1.7
79.05493	25.2
81.03422	14.7
81.07055	85.2
81.99622	1.4
83.01341	6.0
83.04977	14.3
83.08620	11.6
85.02907	7.4
85.06529	10.1
87.04471	1.5
91.03951	3.1
91.05475	22.7
93.07035	31.6
95.04960	5.0
95.08604	14.5
97.02869	4.8
97.06532	7.5
97.10137	1.6
99.04456	2.5
105.07017	14.3
107.04954	8.7
107.08582	19.7
109.06533	5.5
109.10155	7.4
111.04462	2.6
111.08107	3.3
117.07001	8.8
119.08569	5.7
121.06486	3.8
121.10135	8.6
123.08102	7.8
123.11710	12.8
131.05020	1.5
131.08580	6.4
133.10121	14.9
135.04340	1.6
135.08064	2.5
135.11714	13.0
145.06477	1.9
145.10117	12.6
147.08028	2.1
149.09627	1.9
149.13219	6.1
151.11148	6.9
153.12779	2.6
159.11703	3.5
163.11163	18.8
167.68387	1.4
173.09625	2.5
177.12785	3.1
177.14468	1.6
181.12155	3.0
183.13774	2.0
184.07327	2.0
187.13364	3.4
193.12709	1.4
194.63220	1.5
209.11754	3.7
211.13225	1.5
241.14366	1.7
254.64229	1.4
269.17435	8.0
283.15414	21.6
301.20099	9.2
451.26892	74.4
452.27383	3.0
459.27170	2.3
465.28305	4.3
477.23190	1.3
477.28400	33.5
509.31082	100.0
510.31363	4.4
544.36957	1.6
681.40479	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19279	0.1
51.69463	0.1
54.43421	0.1
55.05492	0.2
56.05027	0.6
57.07058	0.2
58.06620	0.4
59.07396	0.1
60.08158	6.3
64.97931	0.1
65.03931	0.1
67.05492	0.5
69.03415	0.1
69.07050	0.1
70.06573	0.1
71.04944	0.1
71.07367	2.8
71.08614	0.1
74.72506	0.1
79.05487	0.4
80.97417	0.1
81.03409	0.6
81.07039	0.5
83.04969	0.2
83.08609	0.2
85.02896	0.1
86.09697	30.1
87.04451	0.3
87.10016	0.1
91.05460	0.3
93.07034	0.3
95.04949	0.2
95.08601	0.3
98.98454	2.8
104.10731	2.4
105.07028	0.2
107.08591	0.2
109.02897	0.1
109.06474	0.1
109.10150	0.2
111.04446	0.1
114.19380	0.1
117.06996	0.1
119.08578	0.2
121.06479	0.1
121.10144	0.2
124.99991	19.8
126.00317	0.1
129.05473	0.1
131.08534	0.1
133.10124	0.2
135.11656	0.1
143.01054	0.5
145.10078	0.1
147.11674	0.1
149.09572	0.1
157.10104	0.1
166.02676	0.2
184.07321	100.0
185.07712	0.7
193.12219	0.1
211.13266	0.3
267.15921	0.1
285.17050	0.1
335.25845	0.3
496.34158	0.2
545.38159	0.2
688.44385	0.1
689.42285	0.1
706.46478	9.3
707.46790	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01622	1.4
55.01868	18.3
55.05506	26.6
57.03150	1.4
57.03433	23.2
57.07071	1.8
59.04988	3.1
60.08150	1.3
61.02923	7.6
65.03928	1.9
66.53683	1.0
67.05497	33.6
69.03426	6.6
69.07059	8.7
71.01337	2.6
71.04987	6.1
71.60531	1.6
73.02901	6.3
79.05486	40.0
80.05805	1.1
81.03413	28.8
81.07047	30.7
82.04200	5.7
83.01326	8.2
83.04478	1.6
83.04969	21.7
83.08610	20.8
83.09105	1.0
84.02115	1.1
85.02898	11.9
85.06541	2.0
86.09705	3.4
87.04468	1.2
91.03938	3.3
91.05473	27.4
93.07035	38.3
93.07626	1.9
94.04201	0.9
95.04960	23.7
95.08601	15.2
96.04483	0.9
97.02878	10.9
97.06522	10.9
97.10158	12.5
98.07291	5.7
99.04444	5.7
99.08092	1.2
101.06014	1.1
105.07022	17.3
107.04951	12.8
107.08587	21.3
109.02869	1.9
109.06503	9.0
109.10152	10.0
111.04454	4.2
111.08065	6.3
113.06004	1.7
115.05457	1.1
116.04705	12.9
117.06995	10.2
119.08575	15.2
121.06491	5.5
121.10137	12.0
123.04424	2.0
123.08049	12.6
125.00003	2.5
125.05983	2.7
125.09616	17.6
125.10548	1.3
127.03921	1.6
129.04506	1.6
129.05469	28.4
129.06918	7.2
130.07790	2.1
131.04875	1.1
131.08568	9.3
133.06456	1.3
133.10115	8.0
135.08041	4.5
135.11674	15.5
136.08804	1.4
137.09605	3.7
139.07521	1.2
143.07030	7.7
143.08513	1.2
143.10655	1.2
145.10109	17.1
147.08034	3.8
147.11687	7.6
149.09595	4.5
151.11142	1.5
153.01784	1.0
153.09100	1.7
153.12691	6.0
155.08604	2.1
157.08591	11.9
157.10068	3.4
158.05801	1.6
161.09546	1.1
163.11165	28.7
163.12531	1.5
165.12717	1.1
171.06516	1.5
171.10179	4.2
173.09607	4.9
173.11746	2.7
175.11172	2.9
181.12201	3.8
184.07323	11.3
185.11700	1.4
189.09575	0.8
189.11191	6.5
191.10664	3.7
193.12164	4.9
194.12737	1.2
199.13321	6.9
200.14018	1.8
201.14775	1.6
207.13731	1.1
209.11705	10.3
210.12407	2.1
211.13229	2.3
227.12749	20.8
229.14284	2.1
255.15881	1.7
265.14352	1.4
267.15924	13.8
281.17523	1.1
283.15369	98.6
284.15750	5.2
285.16977	1.8
301.16437	82.8
302.16827	2.0
337.16467	3.5
365.19580	1.1
383.22256	2.1
405.45840	1.0
407.24332	2.9
425.25229	3.4
437.25320	10.6
451.27097	1.3
457.25864	2.1
459.27304	2.8
473.29199	6.9
474.26065	3.4
475.27002	13.5
477.28702	4.4
491.26370	4.2
492.27460	7.2
493.27835	1.9
509.27386	100.0
510.27856	4.8
527.28082	1.6
550.26599	1.2
656.34821	1.3
706.37915	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	705.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	13.9
54.20907	2.1
55.01875	12.1
55.05508	33.6
57.03429	13.3
57.07069	3.6
57.88377	2.1
59.07653	2.5
60.08177	2.6
60.38790	2.5
65.03936	7.8
67.05502	76.9
69.03428	31.1
69.07068	17.6
71.01350	4.6
71.04978	11.4
71.08636	2.5
72.44843	2.3
73.02929	3.0
79.05489	53.1
81.03413	100.0
81.07052	69.8
83.04974	24.0
83.08618	19.8
85.02901	15.6
85.06519	3.3
86.09701	19.8
91.05478	42.2
93.07039	58.8
95.04966	19.7
95.08600	47.0
95.09168	4.5
96.32766	2.2
97.02885	25.3
97.06519	9.5
97.10154	13.2
98.20776	5.1
99.04466	13.6
99.08131	2.9
102.23492	2.9
105.07036	32.1
107.04933	9.4
107.08588	36.0
109.02872	19.6
109.06516	5.4
109.10146	22.9
111.04417	23.9
111.08070	9.0
115.05428	3.2
117.06262	3.1
117.07021	15.7
119.08571	24.5
120.36160	2.3
121.10133	25.3
123.04467	3.0
123.08117	3.3
123.11717	6.4
124.99992	13.0
125.09634	11.2
127.03894	15.0
129.05478	3.9
129.07001	8.7
130.20987	2.7
131.07672	4.4
131.08559	27.2
133.06485	3.7
133.10109	19.7
135.08072	4.4
135.11687	23.8
137.09615	3.2
143.08537	7.4
145.10124	23.1
147.08110	2.7
147.11714	12.9
149.09605	5.1
149.13249	5.5
153.04060	2.7
153.05292	2.7
153.12788	17.4
155.08560	6.7
157.10124	9.0
157.31721	2.3
159.11691	12.0
161.09608	2.4
161.13277	8.7
163.11160	19.9
163.14842	3.3
167.08554	3.1
169.10162	7.7
170.10918	2.3
171.11760	6.5
173.04478	29.8
173.09662	4.4
173.11775	3.0
173.13246	8.9
175.11134	4.1
181.10226	4.0
181.12238	15.5
183.11716	7.6
184.07324	47.0
185.07785	4.5
185.13283	7.4
187.14760	4.8
189.11235	7.0
191.10664	12.2
193.10162	2.9
193.12213	4.4
197.13329	4.3
209.11778	8.3
211.13153	3.6
227.12750	36.6
259.20801	2.7
261.22061	11.5
277.21484	3.5
283.15411	16.0
299.23749	6.0
301.16534	4.2
301.22122	2.6
333.24152	5.5
335.25827	31.2
345.24222	3.2
351.05438	2.5
353.16077	4.3
369.24066	5.9
387.25357	4.4
427.19638	10.9
433.30920	2.6
451.31741	3.0
469.33392	3.2
482.14828	2.7
515.36865	3.7
525.35974	12.4
543.36774	48.9
561.37604	8.4
669.40485	3.6
687.40814	21.1
705.41803	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	705.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03794	1.2
53.04054	1.2
53.05018	0.5
55.01724	1.0
55.01995	1.4
55.05339	4.5
55.05644	6.8
57.03259	1.9
57.03577	2.8
61.02739	3.9
61.03094	4.4
62.70752	0.5
64.77259	0.4
65.04095	0.5
67.05303	10.2
67.05714	8.1
69.03229	3.9
69.03657	2.7
69.06865	3.2
69.07296	2.2
69.92623	1.1
69.93035	1.8
70.77512	0.5
71.04804	1.4
71.05212	0.9
73.02704	2.6
73.03171	1.8
75.25662	0.5
79.05273	9.4
79.05795	5.1
80.06110	0.5
81.03194	8.7
81.03735	4.7
81.06828	11.0
81.07372	5.3
83.04752	2.9
83.05305	1.2
83.08389	4.2
83.08947	2.1
85.02678	6.8
85.03256	2.8
85.06351	1.2
85.06828	0.9
91.03714	3.6
91.04355	1.2
91.05244	9.4
91.05875	3.4
93.06798	10.2
93.07462	3.8
95.04718	4.9
95.05376	1.8
95.08361	7.1
95.09039	2.5
97.02644	6.4
97.03345	2.2
97.06293	1.5
97.09924	5.0
97.10594	1.6
99.04297	1.0
99.07831	0.4
101.02193	1.2
101.02753	0.5
105.06767	9.4
105.07550	2.4
107.04690	2.7
107.05483	1.0
107.08329	6.9
107.09137	1.5
109.02594	1.6
109.03324	0.9
109.06252	1.8
109.09885	5.7
109.10702	1.4
111.04163	1.6
111.07813	2.0
115.05234	0.7
117.06747	6.1
117.07642	1.1
119.04721	0.9
119.08295	8.9
119.09225	1.7
121.06229	1.9
121.07065	1.0
121.09866	5.3
121.10815	0.9
123.04235	0.8
123.07871	0.9
123.11429	1.8
125.09338	5.1
125.10325	0.9
127.03620	2.6
128.05937	2.1
129.05263	1.0
129.06708	5.1
129.07750	0.9
131.04680	0.6
131.08272	10.7
131.09355	1.8
133.06197	1.4
133.09831	7.0
133.10934	1.2
135.07762	2.2
135.11388	3.5
137.09433	0.9
141.06693	2.4
142.07538	1.2
143.08247	5.8
145.06190	1.9
145.09818	8.0
147.07709	1.8
147.11388	5.8
147.12653	0.6
149.09315	1.9
149.12956	1.5
153.06779	0.5
154.07460	0.8
155.08243	4.3
157.06296	0.6
157.09814	7.1
159.07736	2.2
159.11375	6.1
161.09407	1.1
161.12953	2.8
163.10809	1.7
165.12547	0.6
167.08257	2.1
168.09047	0.7
169.09785	4.4
171.07736	1.5
171.11378	5.3
173.04182	1.5
173.05582	0.6
173.09271	2.1
173.11650	0.6
173.12947	4.7
175.10851	2.1
175.14584	1.3
177.12491	0.8
179.08350	0.8
180.09067	0.8
181.09787	3.5
181.11496	1.0
183.07889	0.6
183.11345	3.3
185.09378	1.2
185.12943	4.9
187.10892	1.2
187.12772	0.5
187.14487	1.8
189.10878	1.9
189.12434	0.9
191.10416	1.2
193.09991	0.9
193.11900	3.3
195.07860	0.7
195.11317	2.6
195.13040	0.9
197.09369	0.8
197.13223	3.0
199.10880	1.5
199.14766	2.4
201.12437	1.5
201.16374	0.5
203.14198	0.6
205.09875	0.5
207.11391	1.4
209.09427	0.7
209.12941	2.2
211.11073	0.8
211.12958	4.0
211.14685	1.0
213.12527	0.9
213.14345	0.6
213.16182	0.7
215.14127	0.6
219.11430	0.7
221.13031	1.0
223.11090	0.5
223.14641	0.7
227.12628	2.4
227.15948	0.6
229.13980	1.9
233.13034	0.9
233.15157	0.6
235.14589	1.2
238.52045	0.6
239.17473	0.6
241.15460	0.6
241.19220	1.8
243.15681	0.7
248.27219	0.5
253.15611	0.6
257.18658	1.0
259.20517	3.3
267.15912	2.4
269.18777	0.6
271.20270	0.7
275.19757	1.8
283.15103	0.5
283.20459	2.4
285.16885	2.4
287.16193	0.6
287.19861	0.6
293.18509	0.6
297.21838	1.5
299.23654	3.8
301.21481	1.2
305.18832	0.6
307.20547	0.7
309.21713	0.9
313.21222	1.5
315.22919	1.2
323.23322	0.6
325.21265	1.3
327.22861	0.6
329.20886	0.6
333.24356	2.8
339.22964	1.2
343.22281	0.8
349.20978	0.5
353.24481	0.6
355.17416	0.5
357.23969	1.7
367.22360	0.9
371.25793	1.0
403.24579	0.6
407.24359	0.5
415.29767	1.0
417.26346	0.9
421.25522	1.9
423.32602	0.9
429.20996	1.2
433.30988	5.1
435.27328	2.0
441.33606	0.7
449.29471	0.6
451.32074	6.5
457.29910	0.6
469.33102	3.2
487.34286	0.9
507.34500	1.6
515.37268	1.4
523.33948	0.6
525.35724	18.0
526.36011	0.8
541.34839	1.5
543.36768	100.0
544.37073	4.0
555.37335	0.8
561.37823	0.8
567.36816	1.0
577.35162	0.6
585.37915	3.0
609.38049	0.9
633.38361	1.1
651.38861	2.8
669.39734	3.2
687.41077	7.7
705.32153	2.7
705.42328	17.4
706.32275	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01863	3.4
55.05264	1.3
55.05506	15.4
57.03434	5.9
57.07052	1.3
61.02914	8.3
65.03930	1.6
66.37327	0.7
67.05499	23.9
69.03426	9.5
69.07062	7.6
71.01352	1.1
71.04977	2.9
71.08614	0.7
72.75446	0.7
73.02913	5.2
77.03899	0.8
79.05484	19.3
81.03407	20.0
81.07049	23.2
83.04977	6.1
83.08600	7.7
85.02895	11.9
85.06528	1.2
86.09696	1.2
87.04453	1.3
89.93050	0.8
91.03938	5.3
91.05473	20.1
93.07032	21.6
95.04960	7.2
95.08598	13.7
97.02885	8.9
97.06506	2.8
97.10157	7.3
99.04443	1.9
99.08100	0.7
101.01688	0.7
101.02386	1.5
103.05476	0.9
105.07023	19.2
107.04959	4.1
107.05529	0.6
107.08585	11.3
109.02863	3.3
109.03493	0.7
109.06496	2.8
109.10155	7.9
111.04448	2.5
111.08062	3.1
115.05468	1.4
117.07004	9.0
119.08577	12.6
121.06497	3.3
121.10140	8.3
123.04447	1.2
123.08077	1.5
123.11687	2.4
125.09638	5.1
127.03901	3.7
128.06198	1.8
129.05482	2.5
129.07002	8.1
130.07776	1.0
131.08553	13.4
133.06456	1.8
133.10120	11.5
135.08054	2.4
135.11703	5.0
137.09628	2.0
139.11137	1.0
141.06996	2.4
142.07823	1.6
143.08549	8.5
145.06505	2.0
145.10118	13.4
147.08020	2.7
147.11662	9.2
149.09602	2.8
149.13274	1.5
151.11218	1.0
151.20789	0.7
153.06967	1.3
155.08553	4.9
156.09229	0.8
157.06531	1.0
157.10118	7.6
159.08046	1.5
159.11682	9.4
161.09622	1.6
161.13237	3.2
163.11218	2.9
165.12688	1.0
166.15695	0.7
167.08574	2.5
169.10123	5.3
171.08107	1.9
171.11685	6.8
173.04552	1.8
173.09599	2.1
173.11841	1.6
173.13263	5.6
175.11227	3.4
175.14850	2.3
177.12631	0.8
179.08557	1.1
181.10109	3.3
181.12033	1.2
183.11658	4.3
184.07336	1.3
185.09668	2.5
185.13188	5.3
187.11108	1.5
187.13348	0.9
187.14830	2.0
189.11212	1.4
189.12766	1.0
191.10678	1.4
193.10474	1.3
193.12222	6.3
195.11719	3.6
197.09566	0.8
197.13269	4.3
199.11237	1.8
199.14813	2.3
201.12749	1.1
207.11673	1.7
209.09679	1.4
209.13297	2.6
211.11237	1.5
211.13274	7.7
211.14793	1.1
213.12914	1.5
213.16490	1.5
217.15950	0.9
221.13174	1.2
223.14879	1.5
225.12665	1.4
227.12564	4.5
229.14384	1.3
231.17493	0.9
235.14880	1.1
237.16393	1.7
241.19519	2.9
243.15891	0.9
257.18973	1.2
259.20465	6.3
261.32141	0.8
267.15997	2.0
271.16943	0.8
275.20074	2.1
277.21741	1.4
283.20520	2.3
285.17029	4.1
285.22244	0.8
295.20227	1.2
297.21948	1.1
299.20621	1.0
299.23584	4.6
301.21463	1.4
307.20837	0.8
313.21603	1.4
315.23273	1.3
321.22125	0.8
333.24258	5.4
335.25943	1.2
339.23193	1.1
343.22705	1.7
345.24301	0.9
345.31140	0.8
348.64130	0.8
349.21463	1.5
357.24359	1.2
367.22665	1.2
385.23730	0.8
386.71130	0.9
403.24875	1.2
421.25851	2.5
423.32486	1.4
429.21103	2.5
433.31021	3.9
435.27219	1.0
451.32062	7.7
469.33142	3.1
487.33862	1.1
489.33838	0.8
507.34940	1.6
515.37360	1.5
525.35693	21.2
541.35443	1.7
543.36774	100.0
544.37012	2.7
567.36786	1.5
585.38428	1.9
609.38300	1.2
621.37561	1.0
633.37506	1.6
639.38928	0.9
651.39032	4.2
652.39136	0.8
669.39734	3.8
680.42438	0.8
687.40686	8.2
705.42023	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	705.42
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.4
53.03937	14.6
55.01871	14.3
55.05256	2.9
55.05504	30.1
57.03433	13.8
57.07067	4.9
59.04980	2.1
65.03928	4.6
67.05500	76.7
69.03423	33.9
69.07063	18.6
69.46513	15.2
71.04989	16.5
73.02918	5.4
79.05488	51.0
80.01829	1.7
81.03411	100.0
81.07050	69.4
81.26048	1.8
83.04976	29.4
83.08614	19.9
85.02911	9.9
85.06542	3.6
91.05476	44.5
93.07037	65.1
95.04952	17.7
95.08598	46.2
97.02882	24.5
97.06535	13.6
97.10167	19.1
99.04451	12.4
99.08125	2.4
104.66253	1.9
105.07034	36.0
107.04954	10.8
107.08593	42.5
109.02856	22.4
109.06493	6.4
109.10148	23.4
111.04433	25.7
111.08043	9.5
115.05435	3.9
117.07014	25.3
119.04957	2.5
119.08564	32.1
121.06513	5.2
121.10143	24.6
123.04421	2.6
123.08028	3.7
123.11726	7.1
125.05937	2.7
125.09642	14.9
127.03911	17.2
128.06177	3.1
129.05470	2.9
129.06958	11.8
130.07780	2.2
131.08562	27.4
133.06458	3.6
133.10130	21.1
135.08031	8.7
135.11688	24.8
137.13214	2.8
141.07014	2.9
143.08583	11.5
145.06380	4.4
145.10120	26.8
147.08034	4.0
147.11661	15.5
149.09622	6.9
149.13246	8.5
151.11121	3.2
153.12741	13.6
155.08528	7.7
157.10124	10.3
159.08011	4.4
159.11659	15.7
161.09627	2.2
161.13275	6.3
163.11165	21.6
167.08568	2.9
169.10156	10.3
171.10402	1.9
171.11630	10.6
173.04443	34.5
173.09610	7.0
173.13258	11.5
177.12862	2.8
181.10069	3.3
181.12221	18.6
183.06551	2.5
183.11728	6.3
185.13254	6.9
187.14806	5.5
189.11218	8.2
189.12735	3.0
191.10692	12.7
193.12184	3.5
195.11795	3.6
195.13763	2.5
197.13255	3.7
199.06078	2.5
199.14803	4.2
201.12596	2.8
209.11646	4.6
211.13197	2.5
213.12689	2.4
213.16257	2.1
223.14825	1.9
227.12758	34.7
243.20982	3.1
259.17157	2.1
259.20447	3.0
261.22125	6.9
267.15823	3.3
269.17389	3.4
273.22253	2.2
275.20056	5.2
277.21780	2.3
283.15411	18.3
299.23685	7.3
301.16513	2.4
301.21414	3.1
307.54175	2.1
315.23016	2.5
317.24802	2.5
333.24481	2.2
335.25821	23.1
351.22995	2.3
353.15991	5.9
353.20206	2.0
369.24179	5.2
387.25266	3.0
405.26263	3.0
427.19485	11.5
443.27618	2.7
451.32141	6.1
463.30722	3.6
469.33185	3.1
506.69937	2.1
515.37079	5.5
525.35913	14.7
543.36774	56.0
561.37762	7.3
651.38324	4.1
669.39612	7.0
687.40948	23.8
705.41968	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	705.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62835	1.6
53.03941	9.5
55.01869	10.0
55.05512	29.1
57.03434	11.5
57.07064	4.0
59.04996	2.6
61.02936	2.4
65.03946	3.4
67.05502	59.4
69.03429	31.4
69.07064	16.6
71.04990	14.3
73.02928	3.2
79.05490	49.0
81.03412	100.0
81.07048	52.1
83.04978	23.9
83.08617	13.7
85.02908	11.6
85.06536	3.4
86.09716	4.4
91.05470	37.1
93.07040	52.1
95.04962	18.0
95.08042	3.6
95.08603	40.7
97.02879	25.4
97.06537	8.2
97.10161	16.4
99.04454	12.0
105.07026	31.1
107.04935	9.2
107.08585	35.4
109.02876	24.5
109.06532	5.7
109.10145	24.9
111.04433	23.7
111.08070	9.4
111.97959	2.0
113.05963	2.2
115.05455	2.0
115.40976	2.0
117.07030	17.7
119.08575	26.7
121.06504	3.8
121.10127	28.8
123.08107	5.2
123.11724	8.2
124.99967	2.4
125.09612	11.8
127.03922	19.6
128.06302	1.9
129.05478	3.1
129.06970	9.7
131.08549	26.4
133.06506	3.5
133.10126	16.6
135.08028	4.6
135.11682	18.1
137.05994	2.0
137.09608	2.5
141.07002	2.2
143.08569	10.4
143.67325	2.0
145.06497	3.0
145.10104	26.2
147.08003	3.2
147.11690	11.6
149.09613	4.4
149.13237	7.4
153.09067	2.0
153.12694	17.5
155.08565	6.6
157.10109	9.8
159.08073	3.9
159.11696	11.9
161.09642	3.7
161.13319	4.2
163.11166	15.9
163.14740	1.9
169.10138	5.0
171.07983	2.9
171.11678	8.6
173.04448	39.1
173.09698	5.7
173.11916	2.6
173.13248	9.0
175.11092	3.3
181.10274	2.7
181.12207	12.9
183.11720	4.3
184.07330	13.1
185.07700	1.7
185.09592	2.1
185.13297	5.8
187.11247	2.6
187.14801	2.9
189.11243	6.7
191.10692	11.1
193.12267	4.5
197.13194	2.6
199.05925	2.3
199.11172	3.4
199.13098	2.2
199.14857	4.2
201.12724	2.9
201.16412	3.4
209.11728	5.8
209.13470	2.2
211.13216	2.5
227.12752	35.7
241.19391	2.9
245.13892	3.7
257.19147	2.1
259.20630	5.4
261.22028	7.8
267.15887	2.4
277.21652	2.5
279.23447	2.1
283.15338	20.2
283.20590	3.5
299.23718	7.6
301.16507	5.4
301.21515	3.2
315.23209	3.3
317.24600	3.2
335.25833	21.7
348.18509	2.2
350.29324	2.3
353.15845	6.6
357.24142	2.0
369.24268	4.9
427.19650	15.6
433.30933	2.9
451.31998	6.1
469.32877	5.6
487.33981	2.8
515.37280	4.3
525.35699	13.0
543.36713	55.6
561.37732	8.4
651.38965	3.7
669.39532	4.5
687.40723	21.5
705.42023	40.0
738.32233	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.4
56.05043	0.5
60.07880	0.4
60.08160	6.0
67.05504	1.4
69.07060	0.3
69.38100	2.5
69.50864	0.2
71.04992	0.4
71.07371	3.1
79.05466	0.6
79.05902	0.2
81.07047	1.3
83.08641	0.2
86.09701	29.0
87.10051	0.3
91.05463	0.4
93.07011	0.6
95.08598	0.6
98.98451	2.6
104.10728	2.1
105.07027	0.4
107.08575	0.6
109.10165	0.4
124.99996	20.9
125.52107	0.2
133.10098	0.5
143.01073	0.6
184.07330	100.0
185.07652	0.6
195.68912	0.2
243.67377	0.2
247.19836	0.2
249.62317	0.2
284.61243	0.3
333.49268	0.3
361.58646	0.3
453.52231	0.3
563.43115	1.5
654.40558	0.5
704.44861	7.8
705.44977	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.01880	1.7
55.05507	5.7
57.03450	1.4
57.07073	27.7
59.05005	1.3
67.05493	10.3
69.03421	4.3
69.07061	5.3
71.04995	2.5
71.08630	28.4
71.59980	1.2
73.02909	1.0
73.06548	10.3
79.05492	8.9
80.06255	1.0
81.03414	5.6
81.07058	11.1
83.04974	2.1
83.08622	6.5
85.02917	2.3
85.06525	1.1
85.10178	26.3
87.04464	11.3
89.06025	100.0
91.05467	6.9
93.07043	8.9
95.04987	2.1
95.08592	5.8
95.18774	1.0
97.02882	2.2
97.06532	2.9
97.10175	3.8
99.11735	4.2
105.07020	5.8
107.04931	2.1
107.07059	5.8
107.08585	5.7
107.46000	1.0
109.06532	1.3
109.10158	3.2
111.04416	1.2
111.08125	1.0
117.07036	3.0
117.09140	10.2
119.08587	4.0
121.10148	3.2
123.11720	1.3
127.03902	1.3
129.06972	1.1
130.08661	4.3
131.07036	3.7
131.08559	5.0
133.08591	55.3
133.10193	3.1
135.08073	1.1
135.11705	2.1
141.16386	3.8
143.08546	2.0
145.10124	2.0
147.11674	1.9
149.09613	1.1
149.13350	1.2
155.08633	1.1
157.10193	1.3
161.11740	3.1
163.11179	1.3
175.09691	3.3
177.11195	22.8
177.12648	1.9
183.11703	1.3
184.07329	2.2
185.18990	5.4
209.11707	1.1
221.13889	4.1
222.47375	1.1
226.21623	2.3
229.21631	12.7
239.14948	1.6
263.26340	1.1
273.24197	7.7
275.20093	1.6
283.17670	2.5
291.19736	1.6
302.67648	1.3
313.32956	1.0
327.19986	1.4
350.03256	1.0
369.13263	1.1
371.23080	1.1
381.88385	1.2
525.35608	2.0
543.36578	3.4
547.32410	1.3
563.39178	2.5
687.49811	4.8
704.40485	4.5
704.51782	5.8
705.41766	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	704.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02344	0.8
53.03949	4.9
55.01870	8.9
55.05508	20.0
57.03432	11.1
57.07055	1.8
57.41600	0.8
59.05006	1.2
61.02920	1.9
65.03928	2.1
67.05499	38.4
69.03426	4.3
69.07061	9.6
71.04973	2.9
71.33898	1.3
71.34220	1.0
71.59246	0.8
73.02889	2.8
73.06538	1.8
77.03896	0.9
79.05485	47.6
80.05801	1.2
80.06237	0.9
81.03416	16.5
81.07051	34.6
82.03754	1.0
82.04202	5.6
83.04974	15.3
83.08611	8.4
85.02885	3.6
85.06516	3.2
87.04454	1.5
91.04895	1.6
91.05470	36.7
93.07034	47.6
95.04961	21.5
95.08593	18.5
97.02869	3.2
97.06515	7.4
97.10159	8.9
98.07307	2.9
99.08122	0.7
101.06013	0.7
103.46077	0.8
105.07023	28.7
107.04945	12.0
107.08589	19.8
109.06499	6.1
109.10142	7.8
111.04427	2.0
111.08052	2.7
115.05441	1.3
116.04707	8.7
117.07004	7.4
119.08565	19.4
121.06490	3.4
121.10149	6.0
123.04438	1.4
123.08074	8.1
123.11713	1.2
125.09615	7.5
127.07583	1.0
128.06210	2.5
129.05472	18.3
129.06992	13.0
131.08563	6.3
133.06557	1.2
133.10120	10.5
135.08049	3.5
135.11684	7.0
137.09662	1.7
141.09161	0.9
143.07040	4.4
143.08559	6.4
143.10719	1.1
145.10124	10.2
147.04404	1.5
147.08047	3.4
147.11678	29.4
149.09596	2.5
153.09082	1.0
153.12714	2.9
157.08571	8.2
157.10114	2.9
158.05695	0.9
159.20309	0.8
161.09570	4.0
161.13239	8.6
163.11179	7.8
165.12683	1.3
171.06514	2.1
171.10156	3.4
171.11647	19.7
173.04460	1.2
173.09628	1.1
173.11789	1.5
175.11150	1.4
179.14349	1.3
181.12254	2.9
184.07317	3.0
185.11700	1.2
189.11179	3.9
189.12750	8.6
191.10593	3.9
193.12202	2.0
199.13329	4.7
200.14085	1.7
207.13797	20.7
209.11703	5.0
211.13277	0.9
215.31252	0.9
225.14886	3.5
227.12791	11.1
229.14386	2.3
265.14334	3.3
267.15918	4.3
269.10574	1.0
279.16119	0.9
281.17456	53.6
282.17914	1.4
283.15375	8.3
288.07129	0.9
300.66034	0.9
301.16446	44.9
335.18536	1.5
405.26315	3.3
421.25928	1.2
423.26736	0.9
435.27338	11.6
436.27740	1.0
471.27481	1.7
472.28165	2.4
473.28964	7.2
489.28470	8.9
490.29211	4.9
507.29486	100.0
508.29807	3.9
704.41327	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40893	0.2
56.05015	0.7
57.03438	0.2
57.07053	0.2
58.06338	0.2
58.06607	0.5
60.08161	6.1
67.05487	0.6
68.00979	0.2
69.07047	0.2
70.03745	0.5
70.04140	0.3
70.06546	0.2
71.07368	3.2
71.87413	0.2
79.05470	0.3
81.07034	0.7
86.09698	31.5
89.06028	0.3
91.05505	0.2
93.07034	0.5
95.08580	0.4
97.10187	0.2
98.98462	2.5
104.10732	3.0
107.08613	0.2
109.49233	0.2
124.99995	20.6
143.01105	0.4
166.02654	0.3
184.07324	100.0
185.07657	0.6
209.24303	0.2
211.11272	0.2
269.17520	0.8
311.25815	0.3
326.93646	0.2
328.81750	0.2
467.07443	0.2
505.38797	0.8
684.53461	0.2
702.47089	11.3
703.47095	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.2
55.01865	8.4
55.05310	2.1
55.05515	22.8
57.03426	7.9
57.07059	3.5
61.00245	2.0
63.54177	2.1
65.03934	3.5
67.05502	44.2
69.03424	15.9
69.07069	22.5
69.36284	21.2
71.04998	4.7
71.63663	1.8
73.02930	2.6
79.05486	32.1
80.73714	1.9
81.03411	45.4
81.07049	41.0
83.04992	14.0
83.08596	10.7
85.02904	11.0
85.06544	4.1
88.07610	4.2
91.05482	41.7
93.07040	28.5
94.55576	2.0
95.04966	19.4
95.08599	24.9
96.31669	1.9
97.02905	13.8
97.06514	14.0
97.10156	5.2
99.04446	5.0
101.02380	1.9
102.09203	3.4
103.05447	3.5
105.07019	45.7
105.07684	3.8
107.04972	10.3
107.08588	16.1
109.02869	7.7
109.06492	8.7
109.10142	7.1
109.79770	2.3
111.04416	4.8
111.08070	3.7
112.16239	2.2
117.07018	10.9
119.08590	26.8
121.06504	7.7
121.10149	12.0
123.08045	5.3
123.11746	3.2
125.09627	6.4
127.03921	5.5
128.06192	2.4
129.06987	12.4
131.08551	22.2
133.06506	3.5
133.10146	22.8
135.08046	6.8
135.11711	5.5
137.09644	2.6
141.07013	4.0
142.07698	2.4
143.08600	8.5
145.06494	3.3
145.10106	17.7
147.08055	2.9
147.11691	12.0
149.02328	11.8
149.09630	8.6
149.13252	2.8
150.02678	2.9
151.11179	2.9
153.12669	2.1
155.08568	4.6
157.10114	12.6
159.08023	2.7
159.11720	9.5
161.09685	2.5
161.13257	4.1
163.11179	6.2
165.12819	2.8
169.10130	6.0
171.08023	2.2
171.11705	4.2
173.04445	5.3
173.09590	3.2
175.11208	7.3
177.12836	2.5
179.14317	5.2
183.08130	2.2
183.11647	3.8
185.13287	3.4
189.11249	3.2
193.05051	4.9
193.10616	2.0
193.12254	11.2
194.05415	2.4
197.13268	4.4
209.13277	3.0
211.11555	1.9
211.13210	10.8
213.12822	2.2
227.12718	3.2
256.26373	6.8
257.18994	6.3
257.26648	4.2
267.16055	4.8
275.20090	39.5
285.16953	3.8
291.19617	5.3
347.88135	2.5
349.23584	9.2
355.17813	3.0
411.20224	5.3
429.11798	3.7
430.12122	3.4
475.27124	2.9
523.34253	4.9
541.35394	19.3
559.36334	7.2
652.51703	2.1
685.39221	8.0
703.39777	100.0
704.40326	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	699.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
71.60897	0.4
72.98969	0.3
81.07063	0.4
86.56258	0.2
90.86467	0.2
91.05490	0.3
93.07068	0.3
105.07066	0.3
149.02332	0.3
161.02960	0.4
185.04213	0.7
193.04909	0.3
259.07764	0.3
277.07248	0.3
297.26886	0.3
301.20236	1.0
305.07611	0.3
319.21252	0.3
347.09430	0.7
387.61499	0.3
421.12323	0.3
444.24527	0.3
446.10782	0.2
537.30310	17.9
538.30859	0.7
582.16541	0.3
699.35516	100.0
700.35803	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	699.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.05500	1.5
57.03424	1.6
59.04967	0.5
61.02912	2.9
62.40875	0.3
67.05501	3.2
69.03423	1.8
69.07054	1.3
70.06581	0.3
71.01332	0.5
71.04995	1.1
71.60810	0.5
73.02913	1.9
79.05491	3.2
81.03406	3.4
81.07050	3.2
83.04968	1.1
83.08601	0.7
83.25542	0.3
85.02895	3.7
87.04442	0.5
91.03955	2.1
91.05467	2.6
93.07027	3.5
95.04974	1.6
95.08591	1.1
97.02872	2.8
97.06528	0.7
97.10173	0.5
99.04440	0.8
101.02386	1.5
103.03893	0.4
105.07020	2.3
107.04945	0.8
107.08597	2.7
109.02890	1.0
109.10149	0.8
111.08086	0.5
119.08578	1.5
121.06521	0.7
121.10152	1.9
123.04421	0.8
123.08076	0.4
127.03935	1.2
129.06995	0.8
131.08566	1.3
133.10141	1.4
135.11661	2.3
143.97762	0.4
145.10141	0.5
147.04466	0.6
147.11678	1.3
148.86816	0.4
149.09639	1.0
157.10097	0.7
163.11104	0.7
181.12372	0.6
181.67418	0.4
185.04214	0.6
193.12306	0.9
197.15352	0.4
221.11514	0.6
225.14980	0.6
243.08330	2.0
267.15836	0.8
269.17377	0.5
275.57135	0.4
277.13962	0.5
283.15100	2.8
349.25153	0.4
385.77448	0.4
439.19370	7.8
453.21057	0.8
469.20712	1.2
471.21509	0.6
501.23029	8.9
502.23523	0.6
537.29712	0.8
681.34296	1.1
699.35486	100.0
700.36102	4.8
727.71600	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3761
Annotation	Hexamollamide
Peak:m/z	Relative Intensity
55.01882	0.4
55.05506	1.4
57.03432	1.6
61.02919	5.1
67.05498	5.8
69.03429	2.8
69.07069	1.0
69.29106	1.7
69.29530	1.8
71.01331	0.3
71.04996	3.1
73.02917	3.4
75.55263	0.3
79.05499	2.5
81.03413	1.7
81.07053	6.7
83.04990	1.0
83.08620	1.4
84.26784	0.4
85.02906	4.7
85.06546	0.8
87.04505	0.4
91.03937	3.0
91.05469	2.9
93.07040	4.0
95.04986	0.7
95.08615	1.3
97.02882	3.4
97.06537	0.9
98.66569	0.4
99.04449	0.8
99.08106	0.4
101.02378	1.9
105.07041	1.5
107.08587	2.5
109.02885	1.0
109.06541	0.5
109.10176	1.3
111.08112	0.6
117.06994	0.5
121.10162	1.4
123.04469	0.4
123.11691	1.0
127.03919	1.2
131.08591	0.8
133.10146	1.9
135.11699	0.9
145.10110	0.4
149.13216	2.6
151.11201	1.2
159.11746	1.0
160.83052	0.3
165.12671	0.4
177.12766	0.5
183.13849	0.5
185.04173	0.8
195.13800	0.8
203.05345	0.6
205.87984	0.3
235.13148	0.8
243.08423	2.5
257.17468	0.7
267.15768	1.0
269.17740	0.8
291.15811	0.4
301.09146	0.4
386.55963	0.4
413.17944	1.6
453.20959	9.1
485.23846	6.7
567.31451	2.2
596.31677	0.7
625.31866	9.5
628.30621	0.9
697.37616	100.0
698.38043	4.6
710.79883	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.34
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93756	0.5
52.75504	0.6
55.01891	0.6
55.05510	1.5
57.03436	2.7
61.02924	6.1
67.05499	12.2
67.05830	1.0
69.03426	3.7
69.07060	1.3
69.37054	6.7
71.04970	1.0
73.02917	4.3
73.38168	0.6
75.52715	0.6
79.05513	2.5
81.03427	2.4
81.07040	6.1
83.05043	0.6
83.08620	1.5
85.02902	6.8
91.03952	5.3
91.05500	1.9
93.07035	3.5
95.08622	2.9
97.02901	4.4
97.06520	0.9
99.04472	1.5
101.02395	2.2
105.07036	1.0
107.08586	1.7
107.79451	0.6
109.02883	1.3
109.10154	9.5
113.57801	0.6
117.07114	0.8
119.08617	1.9
123.11794	0.6
127.03947	2.0
131.08641	0.8
133.10115	0.7
135.11679	0.8
137.09625	0.8
145.04997	1.1
145.10100	0.8
149.13309	0.8
151.95885	0.6
159.11760	0.7
173.11752	3.4
185.04247	2.3
195.09920	1.0
196.11989	0.7
199.05862	0.9
199.49432	0.6
201.03757	1.4
203.05220	0.7
227.05301	0.9
229.14441	2.4
235.13055	1.5
238.44202	0.7
241.06784	0.7
243.08408	3.2
251.12643	1.3
265.14221	1.1
269.17636	0.7
301.09021	4.9
305.10544	0.6
315.10483	3.4
329.12155	0.8
349.23703	0.9
358.66364	0.9
369.15268	1.7
371.16772	4.0
373.11206	3.2
385.18491	2.5
387.12915	0.7
389.26706	0.9
392.09381	1.0
413.17810	20.7
414.18103	0.8
423.20035	0.7
425.21695	3.7
429.17267	1.8
443.19125	1.8
453.20889	5.6
457.20322	0.7
463.26721	1.4
469.20337	0.8
483.22122	0.9
484.22836	1.0
485.19901	7.2
497.23694	0.9
499.21747	2.4
513.22247	0.7
516.22113	1.2
527.23804	0.8
541.26135	4.2
553.29785	1.0
567.31366	22.4
568.32355	1.2
581.28912	0.8
596.31525	9.7
597.32489	1.6
600.30786	1.2
623.34534	0.8
625.31891	100.0
626.32074	3.0
628.30597	7.3
651.33514	7.0
653.34882	1.7
669.33789	1.4
697.33960	48.8
698.33942	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
55.05494	0.9
56.96557	0.5
57.03426	1.8
57.07066	1.0
61.02917	3.6
61.47407	0.5
65.14202	0.4
67.05499	3.4
69.03418	2.3
69.07062	0.9
69.46735	4.6
71.04978	1.0
73.02909	2.2
79.05486	2.3
81.03423	0.9
81.07053	4.0
83.01080	0.7
83.04954	0.7
83.08611	1.0
85.02901	3.9
91.03938	3.9
91.05466	1.6
93.07024	2.9
94.71568	0.4
95.01099	0.8
95.04981	0.5
95.08617	1.5
97.02885	3.3
97.06520	0.7
98.21508	1.0
99.04477	0.7
101.02364	1.1
105.06990	1.2
107.08605	1.7
109.02850	0.8
109.10155	0.8
119.08560	1.3
121.06513	0.4
121.10138	0.9
123.04281	0.9
123.08077	0.5
127.03920	1.9
127.11184	0.5
129.05510	1.2
133.10123	1.0
135.11694	1.0
137.09639	0.6
139.03635	0.5
145.04976	0.6
145.10051	0.6
149.13240	1.1
159.11626	0.6
163.11195	0.5
181.04755	1.4
185.04189	5.5
195.13905	0.9
199.05705	0.5
201.03737	2.2
203.05211	1.2
207.83458	0.4
235.13063	3.3
241.06842	1.0
243.08344	3.4
251.12550	0.9
261.14545	0.7
269.17477	0.8
275.16153	0.8
277.10742	0.5
291.15814	0.6
301.08914	14.0
313.09045	0.6
315.10425	3.2
327.10669	0.7
329.12137	1.0
333.16803	3.4
340.88113	0.5
341.12164	1.6
343.13742	1.0
351.17874	1.5
355.13705	0.8
357.15463	1.1
369.15378	1.3
371.16907	2.1
373.11127	7.0
379.17264	2.2
383.16779	3.1
385.18314	6.0
387.12711	2.2
397.18503	0.7
401.14447	0.9
413.18011	0.7
415.16162	0.7
417.26285	2.1
423.20123	1.1
425.21515	1.9
429.17380	1.3
439.19382	0.7
443.18753	4.5
453.20932	13.7
457.20688	1.6
463.26691	0.7
467.18896	0.9
469.20679	5.2
471.22238	0.8
483.21851	3.6
484.22855	1.2
489.28348	1.1
512.22223	2.8
516.21307	0.9
525.22974	7.3
527.28070	1.4
539.25049	0.9
553.26508	2.1
567.31403	49.8
568.32074	1.7
579.31635	2.3
595.31024	5.0
596.31616	2.8
609.32574	1.0
623.33093	0.7
625.32330	1.0
633.32605	0.8
635.33557	1.3
637.32184	1.4
651.33459	54.0
652.33545	1.2
666.22723	0.7
679.33075	2.0
680.34149	0.8
695.32166	4.1
697.33954	100.0
698.33978	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	697.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	0.7
55.05502	1.7
57.03433	1.8
57.07072	0.7
61.02934	3.5
67.05500	3.9
69.03420	2.4
69.07058	1.1
71.04990	1.0
71.60247	0.9
73.02904	2.6
79.05492	2.9
81.03408	2.5
81.07062	3.7
83.08605	1.7
85.02914	4.5
86.35710	0.6
91.03956	3.8
91.05482	1.5
92.50530	0.6
93.07035	3.4
93.19997	0.6
95.01061	0.9
95.04980	0.8
95.08614	1.1
96.62608	0.6
97.02865	4.6
97.10143	0.6
98.17754	0.6
101.02377	1.3
103.03951	1.0
105.07018	0.7
107.04958	1.0
107.08611	1.6
109.02866	0.8
109.10168	1.5
119.08553	1.1
121.10125	1.0
123.04399	1.2
125.09647	0.7
127.03934	2.3
129.05470	1.7
131.08571	1.0
133.10139	2.1
145.04837	0.6
147.04396	0.9
149.13248	1.4
159.11742	0.8
174.92148	0.6
177.05548	0.9
181.04814	0.9
185.04193	4.9
195.11954	0.7
195.13765	1.3
200.19089	0.7
201.03726	2.2
235.13004	3.4
243.08411	3.0
251.12721	0.9
261.14725	1.4
301.08948	14.7
315.10583	3.5
329.11987	0.8
333.16895	3.2
341.08380	0.8
341.12192	1.0
357.15094	0.7
369.15152	1.6
371.16876	2.6
373.10931	8.9
379.17511	1.6
383.16849	1.9
385.18271	8.1
387.12534	1.9
413.18124	1.0
417.26282	1.6
423.20029	0.9
425.21573	1.8
429.17441	2.1
443.18939	1.3
453.15070	1.0
453.21008	13.6
457.20428	2.1
467.17905	0.6
469.20392	5.6
471.22369	1.3
483.22153	3.8
484.22815	2.2
485.19769	1.1
512.22302	2.6
516.22485	0.8
525.22864	6.8
539.24841	1.4
544.89307	0.6
553.26923	2.4
567.28723	1.0
568.31433	1.3
581.29218	1.1
595.30847	4.5
596.31580	3.3
600.31232	1.4
625.32007	2.6
651.33606	2.2
679.32898	2.7
680.33893	1.1
697.33929	100.0
698.34137	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	697.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.01861	0.2
55.05519	0.8
57.03435	1.4
59.05023	0.1
61.02919	3.7
63.65973	0.1
65.03925	0.2
67.05499	1.6
69.03425	2.0
69.07053	0.5
69.53584	1.3
71.01344	0.2
71.04980	0.5
73.02914	2.7
79.05479	1.8
81.03414	4.0
81.07055	2.2
83.04969	1.0
83.08611	1.3
83.80257	0.1
85.02899	5.6
85.06530	0.2
87.04479	0.2
91.03952	2.6
91.05476	2.8
93.07037	1.4
95.04949	2.1
95.08604	1.1
97.02888	3.6
97.06528	0.6
97.10178	0.2
98.20777	0.2
99.04450	0.7
99.08086	0.2
101.02369	1.3
101.12669	0.1
103.03948	0.3
105.07028	1.9
107.04961	0.7
107.08591	0.4
109.02872	1.0
109.06497	0.4
109.10211	0.2
111.04391	0.2
111.08092	0.8
113.06008	0.3
117.07021	0.2
119.08564	1.5
121.10140	1.0
123.08060	0.4
123.11677	0.2
127.03930	1.2
129.05496	0.2
129.06967	0.8
131.08556	1.1
133.06514	0.2
133.10132	1.5
142.07726	0.2
145.10165	0.2
147.04376	0.2
147.11688	1.2
149.09605	0.5
157.10114	1.4
165.12730	0.3
175.11153	1.2
185.04292	0.5
193.12256	2.2
201.07680	0.2
203.05347	0.3
211.13248	1.0
243.08415	1.9
251.12563	2.0
270.54349	0.1
277.03290	0.2
285.17084	0.5
307.15073	0.8
469.20438	13.4
470.21100	0.4
517.42664	0.2
535.28619	0.4
636.46039	0.1
697.33960	100.0
698.34277	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	696.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01861	1.4
55.05506	15.1
57.03433	5.5
57.07071	7.7
61.02922	19.3
65.03930	1.4
67.05499	52.8
69.03411	2.6
69.07063	19.9
69.29431	6.4
71.04989	1.7
71.08626	5.0
73.02913	7.5
75.04456	1.1
77.09239	0.6
77.26646	0.5
79.05489	15.1
81.03403	1.7
81.07051	65.6
83.04974	1.7
83.08610	17.6
83.55946	0.5
85.02900	24.7
85.06516	2.0
85.10173	2.1
91.03948	22.3
91.05469	12.3
93.07037	18.6
95.04954	2.0
95.08600	60.5
97.02883	12.1
97.06540	6.5
97.10164	11.1
98.21534	1.2
99.04442	1.4
99.08092	3.1
105.07020	8.0
107.08592	14.1
109.02859	1.2
109.06489	0.9
109.10151	32.4
111.08077	3.1
111.11707	2.8
113.09616	1.7
115.03929	1.1
117.07029	0.8
117.42080	0.6
119.08573	10.0
121.09314	1.0
121.10136	17.8
123.08061	1.3
123.11695	17.6
125.09562	1.6
125.13267	1.3
127.03907	7.5
127.11182	1.6
131.08551	1.5
133.10123	13.5
135.11676	10.3
137.09615	1.3
137.13239	6.7
139.11162	1.1
139.14859	0.8
141.12671	2.7
143.08553	0.5
145.04947	10.8
145.10153	0.6
147.11673	9.4
149.13240	9.8
151.11151	1.4
151.14818	4.7
153.12666	0.9
155.14319	3.1
159.11766	0.7
161.13243	10.8
163.06000	17.9
163.14806	10.0
165.12750	0.9
165.16370	8.8
167.14262	1.3
175.14810	9.1
177.16386	2.1
179.14314	1.1
179.17935	7.1
181.15868	1.9
185.15370	0.8
189.16335	3.4
193.15858	1.3
203.17967	1.6
204.08667	0.7
207.17474	1.3
217.19540	1.6
245.22632	58.0
246.22975	0.9
247.24271	0.6
263.23682	100.0
264.24026	1.2
265.25162	2.1
275.62296	0.6
281.24792	3.3
337.27344	66.0
338.27408	0.7
355.28439	18.8
499.32532	5.3
661.38269	0.7
696.35919	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	695.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
54.18631	0.2
55.01866	1.2
55.05499	1.9
57.03435	3.0
59.04998	0.5
60.08149	0.3
61.02922	4.7
65.03929	0.3
67.05499	7.4
68.05824	0.7
69.03423	3.2
69.07050	1.7
70.07384	0.3
71.01351	0.5
71.04986	1.7
73.01131	0.2
73.02908	3.5
79.05489	4.6
80.05814	0.5
81.03413	10.5
81.07051	6.8
82.03747	1.0
82.07381	1.1
83.01332	0.4
83.04973	2.0
83.08610	3.6
84.08942	0.5
85.02897	6.5
85.06543	0.6
86.09706	1.9
86.43539	0.2
87.04468	0.6
91.03949	3.2
91.05477	5.0
91.06004	0.4
92.05809	0.7
93.07035	6.0
94.07372	0.7
95.04970	4.0
95.08611	2.8
96.05289	0.4
96.08938	0.3
97.02881	4.4
97.06500	1.4
97.10172	0.6
99.04431	1.6
99.08139	0.5
101.02373	1.6
103.03943	0.5
104.10679	0.3
105.07021	3.3
106.07334	0.5
107.04926	1.3
107.08582	3.1
108.08918	0.7
109.02886	1.1
109.06521	1.1
109.10155	1.7
110.10483	0.5
111.04442	0.7
111.08082	1.5
113.05962	0.3
115.03927	0.6
115.05450	0.3
117.07018	1.0
118.07376	0.3
119.04886	0.3
119.08578	2.9
120.08910	0.4
121.06516	0.8
121.10134	2.9
122.10455	0.6
123.04453	0.6
123.08074	0.8
123.11730	0.6
125.00016	0.9
125.09632	0.5
127.03906	2.0
127.07590	0.3
129.06956	1.6
130.07329	0.3
131.08575	1.7
132.08832	0.4
133.06483	0.5
133.10103	2.2
134.10463	0.3
135.08067	0.4
135.11684	1.6
136.12065	0.4
137.06009	0.3
137.09630	0.7
139.03949	0.4
145.04872	0.2
145.10110	2.0
147.04404	0.5
147.08067	0.9
147.11653	1.5
148.12015	0.4
149.09602	1.3
149.13234	2.0
150.13597	0.7
153.01881	0.7
157.10110	1.6
158.10458	0.5
159.11722	0.7
163.11153	2.0
165.12798	0.3
173.11757	0.4
174.44806	0.2
175.11212	1.6
176.11542	0.3
177.05449	0.4
177.12811	0.4
184.07310	4.9
185.04187	0.6
185.07724	1.0
193.12216	3.1
194.12628	0.9
195.13878	0.4
203.05327	0.4
209.11784	0.5
211.13245	1.2
227.12766	0.4
243.08350	2.1
249.10985	0.7
251.12584	1.1
267.15878	5.5
268.16229	3.3
269.17471	5.6
269.20157	0.4
270.17804	3.6
283.15469	0.6
285.10117	0.4
285.16956	0.7
287.18521	0.3
288.18921	0.3
305.13696	0.5
307.15125	0.5
414.45892	0.3
421.26044	0.4
422.26132	0.7
436.27856	0.6
439.27121	0.3
440.27261	1.0
447.27298	0.4
448.27872	0.5
454.28806	0.7
461.28934	4.0
462.29312	12.6
466.28687	1.0
467.18869	6.6
467.25287	0.4
469.20419	6.9
479.29965	0.4
480.30414	1.1
498.31644	1.0
695.32312	100.0
696.32526	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	694.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39258	1.4
55.01844	1.4
55.05517	9.6
57.03425	6.1
57.07063	4.8
61.02644	1.9
61.02924	27.1
65.03947	2.6
67.05502	71.2
69.03410	4.0
69.06754	1.5
69.07069	14.2
70.93396	3.1
70.93742	1.4
71.04989	3.2
71.08609	1.4
72.64188	1.4
73.02917	11.8
79.05066	2.0
79.05491	34.2
81.07053	74.6
83.08601	8.2
85.02902	31.0
85.06526	3.3
91.03409	1.7
91.03954	30.4
91.05473	17.4
93.07037	48.8
95.04950	4.8
95.08599	58.7
97.02885	13.6
97.06528	2.1
97.10168	4.6
99.04456	2.2
99.08087	2.0
105.07021	16.1
107.07859	2.5
107.08591	35.3
109.06488	2.8
109.10149	30.8
111.08080	2.3
115.03880	1.5
117.07050	7.5
117.64415	1.5
119.08579	14.8
121.10136	35.9
123.08035	2.1
123.11700	16.3
124.78934	1.5
125.09610	2.1
127.03924	10.5
131.08568	17.1
133.10127	15.7
135.11664	26.4
137.09637	3.0
137.13234	7.2
139.11122	2.3
145.04947	11.9
145.10101	16.4
147.11664	12.8
149.09647	2.3
149.13243	20.7
151.11172	2.0
151.14801	2.0
159.11650	12.1
161.13232	10.7
163.06017	24.2
163.14799	15.0
165.12827	2.7
173.13261	14.2
175.14725	4.1
177.12779	2.2
177.16354	6.1
179.14255	3.4
187.14815	7.1
201.16310	3.1
205.15791	3.5
233.22603	3.6
233.71596	1.6
243.18784	2.5
243.21101	34.4
244.21506	1.5
259.20569	1.9
261.22134	100.0
268.24109	1.6
279.23190	5.3
335.25766	30.6
353.22488	2.9
353.26819	58.7
354.26965	1.7
497.31000	6.8
603.52106	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00262	0.4
53.03940	1.3
55.01852	0.8
55.05257	0.7
55.05504	9.0
55.64599	0.3
57.03433	4.7
57.07076	2.7
59.04976	0.4
61.02919	27.7
65.03929	1.7
66.04700	0.4
67.05498	58.3
68.05837	0.4
69.03426	3.7
69.07060	10.8
70.21339	1.8
71.04996	2.5
71.08621	1.2
73.02907	10.5
74.09708	0.4
75.04468	1.4
77.03917	0.8
79.05483	33.8
80.05827	0.4
81.03416	1.9
81.07047	63.4
82.07395	0.6
83.04971	1.2
83.08601	6.2
85.02895	31.7
85.06519	2.7
86.12733	0.4
87.04452	0.6
91.03944	27.5
91.05471	19.7
92.05853	0.4
93.07032	51.7
95.04970	3.1
95.08595	50.7
96.08900	0.7
97.02882	16.3
97.06519	3.3
97.10160	2.9
99.04429	2.6
99.08073	2.3
103.03935	0.4
105.07019	15.8
106.07872	0.4
106.34154	0.3
107.04923	0.4
107.08582	36.2
108.08945	0.5
109.02867	1.1
109.06519	1.8
109.10142	31.5
110.10518	0.5
111.08099	2.0
111.11691	1.1
113.09629	1.6
115.03941	1.8
117.05455	0.3
117.07002	9.3
119.08566	14.0
121.10129	32.2
123.08088	1.2
123.11690	14.6
123.12572	0.9
125.09619	1.3
127.03900	9.6
127.11184	0.6
128.00580	0.4
129.05545	0.4
129.06979	0.9
131.08551	18.1
133.10115	13.4
133.10974	0.2
135.08069	0.7
135.11676	26.2
137.09601	2.1
137.13229	6.5
139.11172	2.2
141.12735	0.6
145.04944	13.1
145.06108	0.7
145.10104	14.9
146.10451	0.7
147.11674	11.0
149.09641	0.6
149.13240	21.2
151.11171	1.6
151.14796	2.0
153.01929	0.4
153.12712	1.3
157.10197	0.4
157.12206	0.5
159.11676	13.3
161.13240	9.6
163.05998	21.4
163.11195	0.6
163.14804	17.4
163.98001	0.6
165.12724	2.4
165.16338	0.6
167.14258	0.8
167.69630	0.4
171.11691	0.4
173.13242	14.9
175.14789	3.6
177.12732	1.5
177.16360	6.3
179.14273	2.9
187.13129	0.6
187.14810	9.2
189.16322	0.6
191.14265	2.2
193.15915	0.4
195.17427	0.6
201.16402	2.9
205.15852	2.2
215.17865	1.2
217.19518	0.5
219.17413	1.4
231.15874	0.7
233.18825	0.5
233.22630	3.0
243.21060	37.6
244.21399	0.8
245.22537	0.5
261.22107	100.0
262.22443	2.5
263.23611	2.6
279.23160	3.3
283.19199	0.5
297.20593	0.5
304.50403	0.4
317.24463	0.7
325.11066	0.4
335.25766	18.8
353.26828	69.0
354.27130	1.5
473.70953	0.4
497.30704	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
53.16250	0.8
55.01867	3.3
55.05507	15.6
55.83258	0.9
56.96560	0.9
57.03435	16.2
57.07086	2.0
59.05000	3.8
60.08146	5.0
61.02922	6.4
62.41784	1.1
65.03929	2.3
67.05500	100.0
68.05810	1.8
69.03423	5.1
69.07060	13.2
71.01347	1.2
71.04989	34.5
71.07348	1.9
73.02916	2.3
77.03959	1.4
79.05489	37.5
81.03410	55.9
81.07050	46.2
82.03783	1.0
82.07355	1.1
83.04972	16.6
83.08612	27.7
84.08961	1.1
85.02899	22.6
85.06529	6.7
86.09698	24.8
87.04481	1.5
91.03949	2.3
91.05474	44.8
92.05791	1.1
93.07034	39.8
94.07352	1.5
95.04959	26.6
95.08601	19.6
97.02885	5.5
97.06532	9.6
97.10156	5.6
98.98452	1.8
99.08083	2.0
104.10745	2.5
105.07019	22.4
107.04952	9.1
107.08583	21.3
109.02850	1.3
109.06499	6.6
109.10149	66.6
110.10470	1.4
111.04425	2.9
111.08067	13.6
113.05988	3.2
115.05438	1.9
117.07005	5.9
119.04955	1.6
119.08572	28.6
120.08968	1.2
121.06487	2.5
121.10136	13.3
123.04426	2.0
123.08069	3.4
123.11681	3.1
124.99999	19.4
125.09627	1.9
127.03917	2.6
129.05530	1.2
129.06985	10.4
131.08551	11.8
132.48889	1.1
133.06509	2.3
133.10124	13.2
135.08043	1.5
135.11685	18.6
137.09599	13.3
142.07785	3.0
145.10103	6.0
147.04434	1.8
147.08040	3.9
147.11684	15.7
148.12009	1.7
149.09601	7.1
149.13243	4.1
151.11186	1.8
155.10687	2.7
157.10123	15.6
159.11690	2.0
161.09590	1.1
163.11156	6.1
165.12802	3.6
169.12247	2.0
171.11752	1.2
173.11760	12.7
173.13185	1.9
175.11169	13.5
177.05594	1.2
181.12276	3.8
184.07330	80.7
187.13309	1.7
193.12227	39.8
195.13785	2.0
211.13260	38.9
229.14279	5.5
239.16475	2.0
243.15913	2.8
249.14926	1.2
255.15897	15.5
267.15891	29.1
268.16171	1.1
269.17462	11.1
283.15347	1.1
285.16937	26.7
286.17261	2.1
287.18506	24.2
305.25031	1.2
326.94910	1.1
329.21048	1.9
403.24548	1.8
421.25793	35.3
429.26758	1.6
431.22827	1.3
435.27521	1.3
439.26886	86.1
440.27206	3.1
443.28021	2.0
447.27399	51.6
448.27872	1.7
453.28360	12.3
461.28912	19.5
465.28442	67.4
466.28699	1.9
479.29974	16.9
497.30975	65.2
498.31497	2.8
591.30939	1.1
611.73962	1.4
641.35419	1.5
644.35608	13.2
664.26251	1.2
695.19470	2.1
695.30975	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	694.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.3
55.05497	0.4
56.05016	0.5
57.03435	0.3
58.06579	1.3
58.06821	0.1
59.07368	0.9
60.08158	5.4
61.02916	0.2
64.25211	0.1
67.05504	1.0
69.03426	0.2
69.07059	0.3
70.06568	0.1
71.04986	0.2
71.07364	2.5
71.61066	0.2
71.61488	0.2
75.65736	0.1
79.05488	0.8
81.03412	1.1
81.07046	1.0
83.04971	0.4
83.08616	0.4
85.02895	0.4
86.09697	25.7
87.10012	0.2
91.05472	0.8
93.07030	0.8
95.04960	0.7
95.08601	0.3
97.02888	0.2
97.06492	0.1
97.10175	0.2
98.98449	2.3
100.40253	0.1
100.71249	0.1
104.10732	2.2
105.07003	0.6
107.04941	0.4
107.08586	0.3
109.10178	0.2
111.08078	0.2
117.07016	0.1
119.08591	0.4
121.06531	0.1
121.10135	0.7
123.04423	0.2
124.99994	15.6
129.06961	0.1
131.08562	0.5
133.10103	0.4
135.08031	0.2
135.11688	0.2
143.01042	0.5
147.11646	0.4
149.09613	0.5
153.01805	0.5
155.41631	0.1
157.10118	0.3
159.32768	0.1
163.01558	0.2
165.28896	0.1
166.02638	0.3
167.10626	0.1
175.11174	0.4
177.05408	0.2
184.07321	100.0
185.07697	0.4
187.47594	0.1
193.12134	0.7
211.13278	0.8
222.06880	0.1
222.08876	0.7
224.10457	0.3
238.08342	0.2
240.10091	0.2
243.15773	0.1
267.15979	0.5
285.17017	0.8
287.14749	0.7
287.17731	0.1
423.01031	0.1
427.16217	0.2
453.28424	0.4
461.28519	0.4
468.23297	0.2
479.29855	0.2
497.27008	1.4
592.31818	0.2
626.85297	0.1
676.34375	0.2
694.35327	9.6
695.34802	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89108	1.4
53.03933	7.5
54.01205	1.4
55.01852	4.3
55.05510	14.3
57.03413	3.1
57.07072	2.7
61.60217	1.5
65.03909	4.0
67.05502	27.9
69.03123	1.6
69.03427	18.2
69.07073	9.3
69.90451	9.0
71.04997	2.5
74.85998	1.3
78.90990	1.5
79.05485	43.5
81.03380	2.3
81.07051	25.6
83.04987	7.9
83.08601	3.7
85.02879	1.8
85.06549	1.7
91.05471	71.1
93.06464	2.6
93.07035	37.4
95.04967	17.7
95.08593	21.5
97.06535	3.7
97.10126	2.5
98.20779	1.8
99.04409	2.1
103.05438	3.8
105.07024	57.9
107.04932	12.8
107.08585	22.5
109.02858	3.2
109.06489	9.3
109.10139	6.1
111.08067	3.6
115.05527	7.6
116.06216	3.6
117.07012	30.1
119.04940	2.1
119.07793	3.0
119.08578	47.6
121.06528	11.4
121.10126	9.3
123.08015	3.7
123.11649	2.9
125.06010	2.8
128.06198	17.6
129.06992	36.9
131.04907	2.6
131.08568	29.0
133.06493	9.3
133.10120	25.0
135.08052	18.3
135.11681	4.8
137.06003	2.2
137.09625	3.5
137.13228	2.7
141.06985	17.1
142.07776	15.9
143.08549	45.9
144.09308	3.5
145.06487	10.4
145.10117	29.5
147.08012	11.2
147.11674	24.6
149.06000	2.5
149.09584	3.1
149.13301	2.3
151.07515	4.6
152.06194	3.5
153.06976	9.9
154.07741	8.7
155.08540	30.8
156.09270	5.1
157.06445	6.0
157.10107	40.9
158.07343	1.8
158.10875	3.7
159.08025	14.5
159.11700	14.0
161.05911	3.4
161.09612	10.2
161.13239	3.7
163.07504	4.0
163.11188	2.6
165.06973	13.9
165.09134	1.9
166.07751	10.1
167.08548	19.8
168.09322	4.8
169.06448	2.3
169.10104	34.0
170.10881	3.9
171.08051	10.3
171.11676	18.1
172.08763	2.6
173.09648	11.6
173.13269	10.1
175.07521	5.5
175.11188	9.0
175.14795	2.4
177.09129	3.6
178.07790	7.0
179.08545	18.6
180.09306	9.6
181.06494	4.5
181.10083	24.7
182.07158	2.2
182.10892	5.4
183.08046	7.1
183.11653	23.1
184.08821	3.1
184.12379	1.9
185.09604	26.8
185.13243	13.8
187.07536	5.5
187.11153	8.7
187.14767	6.8
189.09052	3.5
190.07785	3.9
191.08548	6.5
191.10545	3.6
192.09344	9.6
193.10118	23.7
193.12085	4.0
194.10904	6.2
195.08037	12.2
195.11676	27.4
196.08789	7.4
196.12451	3.6
197.09637	14.9
197.13242	17.3
198.10417	3.6
199.07541	1.7
199.11160	15.0
199.14774	10.6
201.09077	5.2
201.12703	5.1
201.16351	5.3
202.07788	2.9
203.08487	7.8
203.10669	6.4
204.09291	6.1
205.10104	17.6
206.10907	12.0
207.08063	3.9
207.11714	21.4
207.13605	1.7
208.08833	8.8
208.12437	6.2
209.09599	21.8
209.13254	16.9
210.10373	7.0
210.13892	2.7
211.07692	3.5
211.11147	19.5
211.14827	14.6
212.11900	2.8
213.09103	5.7
213.12773	8.5
213.16335	7.8
215.08582	4.1
215.10637	11.8
215.14380	2.2
215.18004	2.2
216.09407	3.4
217.10141	6.2
217.12189	2.1
218.07240	2.2
218.10820	5.9
219.08183	7.6
219.11710	10.0
220.08824	4.2
220.12425	13.1
221.09590	10.9
221.13223	13.9
222.10399	9.4
222.14038	2.5
223.07707	2.1
223.11197	29.6
223.14742	15.6
224.11887	8.4
224.15421	2.2
225.09169	8.1
225.12749	17.0
225.16316	11.6
226.09854	1.9
227.10632	8.0
227.14293	8.0
227.17841	3.5
229.10272	3.1
229.12201	3.8
229.15857	2.0
230.10910	7.4
230.25188	1.8
231.11658	6.3
231.13725	2.4
232.08926	3.9
232.12436	5.1
233.09673	25.9
233.13289	9.9
234.10410	8.5
234.13948	2.4
235.07498	2.3
235.11119	12.1
235.14771	16.8
236.11914	7.4
237.08963	2.8
237.12735	13.8
237.16313	10.2
238.09871	2.7
238.13406	2.5
239.10710	9.1
239.14211	9.7
239.17976	6.6
241.12207	7.9
241.15794	7.2
243.11661	3.5
243.13780	3.4
243.17421	2.3
244.12494	2.9
245.09605	3.0
245.13210	11.5
245.15436	4.8
246.10371	6.6
246.14053	3.0
247.11209	13.9
247.14772	7.3
248.11928	21.0
249.09081	3.9
249.12741	15.2
249.16351	4.5
251.10686	10.8
251.14322	13.1
251.17897	5.4
253.12267	8.5
253.15872	11.7
255.13748	2.4
255.17424	4.6
257.09573	2.3
258.10333	2.3
259.11063	4.2
259.14801	4.1
260.11859	2.4
261.09048	5.3
261.12708	8.5
261.16232	3.1
262.13507	3.4
263.10703	4.8
263.14310	45.4
263.17426	3.5
264.11346	3.3
265.12210	8.8
265.15787	11.7
265.19632	2.7
266.12903	3.1
267.13867	3.9
267.17374	5.8
269.11728	6.9
269.15356	3.2
271.17007	3.3
273.12689	8.1
274.13254	1.9
275.10806	4.5
275.14182	4.7
276.11514	8.9
277.12180	5.4
277.15842	2.5
277.19370	3.6
279.10721	2.4
279.13794	9.8
279.17242	2.1
279.21063	7.7
281.12433	1.6
281.15390	34.9
281.18546	2.7
283.17087	2.8
285.12515	2.7
285.18716	3.0
287.14374	4.5
289.12384	2.5
289.16000	2.8
289.19461	4.9
291.13800	49.8
291.16974	2.5
293.15494	7.5
293.22455	4.1
297.15179	2.2
298.13620	1.9
299.13931	2.0
301.15805	1.9
303.13867	1.9
303.21027	3.5
305.18936	5.6
307.13260	2.7
307.20621	7.8
309.14847	100.0
311.16644	2.8
315.13721	2.8
317.15356	2.3
319.20364	3.0
321.18375	2.6
321.22009	12.9
323.20035	2.9
325.21658	8.8
327.15997	21.6
329.15283	3.1
331.20547	6.3
333.14871	2.5
337.21591	3.9
339.23184	8.0
347.20126	2.0
349.21576	23.1
361.21756	2.0
365.21060	4.2
367.22696	16.3
385.23804	3.5
424.43887	1.8
483.25095	2.5
501.26389	2.4
521.38239	3.7
597.33551	2.4
599.33600	2.1
611.34650	4.6
615.34283	5.0
621.33008	2.5
629.35809	7.3
633.35223	5.8
639.34180	6.3
647.37329	8.5
657.35431	16.3
675.36530	22.3
693.37677	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	693.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88128	2.3
53.03938	7.0
55.01862	4.1
55.05516	19.6
58.04689	2.6
59.43209	2.7
65.03921	4.8
67.05504	31.4
69.03420	24.1
69.07068	17.8
70.03551	7.8
70.03954	4.9
71.04993	5.3
78.25279	2.8
79.05054	4.2
79.05488	52.3
81.03410	5.6
81.07050	35.7
83.04974	13.2
83.08609	5.2
85.02921	3.9
85.06528	3.0
91.05476	92.7
93.07032	44.7
95.04969	23.8
95.08613	19.8
97.06521	3.5
98.20821	3.3
99.04422	3.1
103.05447	7.3
105.04553	3.2
105.07032	77.4
107.04964	16.1
107.08591	24.4
109.02835	2.8
109.06531	6.1
109.10154	5.7
111.04462	4.2
111.08074	4.1
115.05453	13.6
117.06999	34.0
119.08575	56.9
121.06496	11.5
121.10149	11.2
123.11739	5.1
128.06198	21.0
129.06995	42.7
131.04910	3.5
131.08557	36.6
133.06503	13.5
133.10135	24.5
135.08040	13.1
135.11685	6.9
137.05981	4.7
141.06973	22.7
142.07764	24.3
143.08562	44.8
145.06487	10.7
145.10104	35.5
147.08049	12.1
147.11681	32.3
149.05984	5.5
149.09578	4.4
149.13263	3.4
151.07585	2.6
153.06995	8.3
154.07774	3.7
155.08522	27.9
156.09338	6.1
157.06535	3.9
157.10120	48.0
158.07248	3.4
158.10846	3.3
159.08057	20.8
159.11636	20.7
161.05975	3.8
161.09628	10.1
161.13321	5.1
163.07533	7.2
165.06990	29.4
166.07722	12.2
167.08557	31.4
168.09369	6.8
169.10117	35.5
170.07249	3.2
171.08049	13.8
171.11650	24.2
172.08757	3.4
173.09657	15.7
173.13257	10.5
175.07591	2.7
175.11153	15.4
175.14841	3.0
178.07797	10.6
179.08578	21.4
180.09306	14.6
181.06487	3.5
181.10121	28.4
182.07327	3.5
182.10930	5.9
183.08064	10.0
183.11693	31.7
185.09608	32.5
185.11133	4.3
185.13152	13.9
186.10414	3.4
187.11168	7.7
187.14830	8.3
189.09070	3.5
189.12735	3.5
190.07831	3.4
191.08484	14.2
192.09315	16.0
193.10124	28.5
193.11952	5.3
194.07253	4.4
194.10924	9.0
195.08049	16.4
195.11670	33.1
196.08777	7.0
196.12463	5.0
197.07863	3.5
197.09535	20.2
197.13281	21.8
199.07620	3.8
199.11276	13.3
199.14803	14.1
201.09192	3.8
201.12695	4.6
201.16322	4.9
202.07767	5.2
203.08524	6.5
203.10675	5.4
204.09386	7.7
205.10141	26.2
206.11063	12.4
207.08131	5.0
207.11682	25.6
208.08813	11.9
208.12439	5.3
209.09601	26.0
209.13226	19.7
210.10336	11.7
211.11165	22.7
211.14784	13.5
212.14934	2.5
213.09200	4.0
213.12749	9.2
213.16298	6.6
215.08659	5.7
215.10738	9.2
215.14256	2.8
216.09373	3.0
217.10158	7.0
218.10957	5.4
219.08075	7.2
219.11765	10.6
220.08795	3.5
220.12366	14.0
221.09589	12.5
221.13110	18.3
222.10446	12.2
222.13838	3.2
223.11166	41.4
223.14647	16.9
224.11940	12.3
225.09140	8.3
225.12723	14.7
225.16402	8.9
227.10690	7.2
227.14188	12.8
227.17955	3.2
229.10187	4.2
229.12215	3.8
229.15979	3.7
230.10913	11.4
231.08163	3.1
231.11649	9.4
232.08939	3.1
233.09676	37.5
233.13249	10.9
234.10364	5.1
235.11124	21.1
235.14749	15.6
236.11986	12.0
237.09151	4.8
237.12756	18.0
237.16307	8.5
239.10622	12.4
239.14360	9.8
239.17982	3.9
241.12273	8.8
241.15834	7.1
243.11719	4.5
245.09660	3.6
245.13211	11.2
245.15309	4.9
246.10425	8.1
247.11127	14.2
247.14851	6.6
248.11983	27.6
249.09055	4.1
249.12720	14.8
249.16411	5.1
251.10612	11.0
251.14488	13.1
252.11482	4.3
253.12234	11.3
253.15877	13.6
255.13829	7.2
255.17506	3.6
257.13245	3.4
259.11084	5.5
261.09125	8.4
261.12756	11.4
261.16000	3.2
262.09891	3.9
262.13516	4.1
263.11142	3.9
263.14294	52.4
264.11346	3.3
265.12158	9.3
265.15683	13.5
266.13104	3.3
267.10593	2.6
267.13867	9.4
267.17484	5.0
269.11667	7.8
272.11868	3.3
273.12714	8.0
275.10834	3.7
275.14151	6.7
276.11484	17.5
277.12338	5.7
277.15964	4.2
277.19421	4.7
279.13849	13.6
279.16940	3.7
279.21091	8.2
281.15384	36.3
283.17059	4.7
287.14407	3.4
291.13782	58.2
293.11942	3.8
293.15384	9.4
293.22604	7.8
299.14240	3.3
303.21100	4.5
305.18854	4.8
307.20596	7.4
309.14835	100.0
319.20465	2.8
321.19058	3.0
321.22092	17.8
325.21631	9.3
327.15863	23.9
329.15384	3.8
331.20389	5.1
339.23203	7.3
340.74966	2.9
341.73627	2.8
347.20139	5.8
349.21631	25.1
365.20999	4.4
367.22797	15.5
383.21814	3.2
401.36142	2.8
501.26224	3.7
521.37976	4.2
531.38550	3.0
611.34625	3.6
629.36267	6.0
633.35327	4.1
647.36963	6.5
657.36169	12.5
675.36768	17.9
693.37634	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	692.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.05504	19.1
57.03428	9.4
57.07066	2.0
59.04988	2.2
61.02914	5.2
65.03915	2.3
67.05496	77.9
68.05827	1.4
69.03413	3.1
69.07063	14.4
71.01347	0.8
71.04985	20.7
71.08616	0.6
71.60672	0.5
71.61060	0.6
73.02891	2.7
77.03909	0.6
79.05483	29.4
81.03410	5.9
81.03790	0.6
81.07046	100.0
82.07374	0.9
83.04967	6.1
83.08607	16.4
85.02897	8.9
85.06534	8.2
87.04478	2.0
91.03954	1.7
91.05470	27.1
92.05816	0.8
93.07034	40.5
94.03309	0.5
95.04952	6.1
95.08595	19.5
97.02882	4.7
97.06522	10.3
97.10163	6.6
99.04444	0.8
99.08093	1.4
105.04554	0.6
105.07016	11.1
105.07669	0.8
107.04980	1.8
107.08579	27.4
108.08917	0.8
109.06519	3.6
109.10143	22.9
110.10519	0.6
111.08069	6.2
111.11679	0.5
115.05434	0.6
117.07002	8.4
117.07826	0.6
119.08567	4.5
121.06526	2.1
121.10126	11.1
123.08067	1.4
123.11685	14.7
125.09628	4.6
127.03960	1.2
127.07588	0.8
129.05511	1.4
129.07013	1.0
131.08553	9.5
131.09480	0.5
133.10109	22.5
135.08069	1.9
135.11674	10.8
137.09647	1.4
143.10599	0.6
145.04884	0.7
145.10129	1.2
147.11662	2.7
149.09666	1.2
149.13239	16.0
151.11156	8.9
153.12819	0.8
155.10590	0.6
157.10164	1.2
159.10408	1.1
159.11667	9.8
159.12837	0.7
161.13377	0.6
163.11145	2.4
165.12784	0.6
167.14320	0.8
169.10167	0.7
169.12259	0.6
171.11737	1.0
173.11734	5.7
173.13130	0.6
177.12695	4.4
177.13979	0.5
181.12239	0.6
183.13809	2.6
187.13248	4.1
191.10800	0.5
193.12192	1.0
195.13771	14.5
199.13243	2.5
209.11661	2.5
211.13313	0.7
213.14958	1.8
217.14461	0.6
225.14993	1.9
227.12881	2.1
229.14314	24.6
239.16429	0.8
251.16545	1.1
257.17526	1.4
267.15875	3.4
269.17444	40.5
270.18015	1.5
283.15573	1.7
285.17267	0.8
301.16614	6.9
301.20267	15.5
393.26553	1.6
411.27353	2.4
419.27930	0.9
423.27393	16.3
423.32681	1.0
424.28235	1.0
431.28064	0.6
435.31348	0.7
437.28934	56.6
438.29147	2.7
445.24261	0.6
445.29880	1.0
451.30441	5.3
463.30496	25.4
464.31024	1.2
495.33463	83.9
496.34067	4.4
513.30658	6.2
607.35223	1.3
639.37701	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.01861	2.1
55.05256	0.9
55.05510	14.0
57.03431	9.6
57.07069	1.8
59.05009	1.1
59.49563	0.4
60.21846	0.5
61.02925	3.9
65.03928	1.6
67.05500	66.4
68.05839	0.6
69.03424	1.4
69.07064	15.1
70.23009	2.4
70.23363	0.8
71.01324	0.7
71.04989	16.1
72.96104	0.5
73.02914	2.2
79.05486	26.3
81.03416	4.5
81.07051	85.1
82.07388	1.6
83.04974	6.5
83.08614	14.0
85.02895	5.8
85.06541	7.6
87.04452	0.9
91.03965	1.4
91.05475	21.4
93.07037	39.1
94.07361	0.6
95.04962	5.4
95.08601	16.5
96.93384	0.5
97.02892	2.6
97.06524	9.0
97.10149	4.6
98.21379	0.7
99.04438	0.8
99.08096	2.3
103.03869	0.5
105.04502	0.5
105.07021	10.1
107.04948	1.4
107.08588	25.3
109.06515	2.6
109.10146	16.2
111.04424	0.6
111.08073	6.5
113.05969	0.9
113.09646	0.5
117.06997	6.6
118.91033	0.5
119.08569	4.6
121.06499	1.8
121.10134	13.2
121.39900	0.5
123.08058	0.5
123.11694	8.3
125.09611	3.8
127.03932	0.8
129.05438	0.9
129.07043	0.9
131.08568	7.9
133.10118	13.1
133.11069	0.8
135.08008	1.2
135.11690	8.2
137.09647	1.2
139.07468	0.6
139.11119	0.8
144.09435	0.5
145.10112	0.8
147.11668	2.2
149.09624	1.1
149.13249	21.2
151.11172	6.0
153.12773	0.7
155.10565	0.9
157.10182	1.0
159.11694	10.2
163.11169	1.5
165.12723	1.2
167.14297	0.7
169.12282	0.9
172.27795	0.5
173.11734	4.7
177.12744	3.9
183.13803	2.1
187.11865	0.5
187.13339	2.8
187.14780	0.5
191.10574	0.7
193.12202	1.2
195.13817	8.6
199.13304	2.0
209.11732	1.7
211.13194	0.9
213.14845	1.4
218.02075	0.6
225.14833	1.3
227.12793	1.9
229.14323	13.3
234.55220	0.5
251.16473	0.9
257.17520	1.1
267.16028	1.7
269.17468	32.5
270.17737	0.7
283.15344	1.7
283.18658	0.5
285.17142	0.6
301.16449	4.5
301.20120	7.0
388.18225	0.5
411.27271	1.2
423.27438	11.2
424.27756	1.1
424.99792	0.6
431.27893	0.5
437.28964	39.8
438.29196	1.4
449.29117	0.7
451.30502	6.7
463.30508	100.0
464.30798	4.3
477.28384	0.7
495.33707	35.0
496.33405	1.2
513.30627	5.3
607.34790	0.8
639.37189	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73894	0.6
53.03942	2.9
53.50284	0.6
55.05508	33.6
57.03147	1.5
57.03427	21.3
57.07067	2.2
59.04994	3.9
61.02925	8.1
65.03944	2.4
67.05501	100.0
68.05827	0.8
69.03430	4.4
69.07061	16.9
70.20779	1.8
71.01353	1.5
71.04979	6.4
71.08652	0.8
72.92403	0.9
73.02921	5.2
74.74786	0.7
79.05488	40.8
81.03415	14.9
81.07053	74.6
83.01350	0.9
83.04979	11.4
83.08617	24.5
85.02901	17.6
85.06538	4.1
87.04468	4.3
87.59839	0.7
91.03968	3.9
91.05476	28.5
93.07040	44.6
95.04958	8.1
95.08604	22.6
97.02872	6.8
97.06522	11.1
97.10159	15.3
97.10760	1.1
98.07317	0.7
99.04490	1.5
99.08115	2.9
103.03979	1.2
105.07021	11.7
107.04934	4.6
107.08589	29.3
109.02882	0.9
109.06512	5.1
109.10151	57.5
111.04440	1.8
111.08076	8.1
113.06021	0.8
117.07005	9.0
119.08574	11.6
121.06484	4.1
121.10131	11.0
123.08075	2.7
123.11707	4.3
125.09620	11.9
127.03910	1.1
127.07520	0.8
129.05461	7.2
129.07021	2.1
131.08553	9.6
132.02010	0.8
133.06499	1.0
133.10141	14.8
135.08089	2.9
135.11681	12.0
137.09604	3.4
143.06972	1.1
143.10715	2.2
145.04971	1.7
145.10110	4.6
147.08112	1.6
147.11674	4.8
149.09676	1.9
149.13261	14.3
151.11197	2.0
153.09094	0.9
153.12764	3.2
155.08545	1.2
155.10698	3.4
157.10143	1.8
159.11678	8.8
163.11179	8.2
165.12804	2.5
165.87444	0.7
167.14372	1.1
173.09660	1.9
173.11728	15.5
173.13145	1.3
175.11201	1.5
177.12764	5.4
181.12294	3.0
185.11737	1.9
191.10718	3.0
193.12199	3.5
193.59744	0.7
195.13776	17.0
195.15408	1.1
199.13269	8.0
209.11705	7.3
211.13393	2.4
213.12910	0.9
213.14900	2.4
217.14435	0.9
227.12790	8.5
229.14342	52.1
230.50470	0.7
239.16452	2.9
257.13815	5.3
267.15903	9.8
269.17459	73.5
283.15314	6.5
285.16983	0.8
297.16800	0.9
301.16464	20.9
323.18436	0.9
357.24332	1.2
393.26520	2.4
411.27420	7.8
423.27417	42.6
431.28278	2.4
439.27252	1.0
449.29352	1.3
477.28592	3.1
495.29489	70.7
496.30191	1.0
513.30573	28.7
693.33325	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	14.9
57.03431	13.9
57.07067	0.5
59.04990	1.1
61.02919	4.2
64.54913	0.2
65.03926	1.5
67.05496	23.1
69.03424	5.7
69.07061	8.0
71.01340	0.6
71.04986	5.5
71.60361	0.4
73.02925	1.7
73.06538	0.4
77.03906	0.4
79.05485	27.0
81.03409	80.6
81.07045	31.8
82.03760	0.5
82.07380	0.4
83.04973	18.1
83.08609	29.5
84.08960	0.3
85.02895	32.6
85.06532	2.1
86.09678	0.5
87.04465	0.7
91.03954	1.6
91.05470	37.2
92.05787	0.4
93.07034	21.1
94.07369	0.3
95.04958	34.0
95.08594	13.2
96.05288	0.3
97.02882	6.5
97.06523	5.0
97.10155	5.6
99.04427	0.8
99.08072	1.9
101.05996	0.4
103.05474	0.7
105.04511	0.5
105.07018	27.2
107.04943	9.5
107.08585	9.4
109.02853	0.6
109.06503	6.1
109.10139	4.3
111.04446	3.1
111.08068	13.2
113.05986	3.2
115.05441	2.2
116.06209	0.5
117.06995	2.2
119.04932	1.1
119.08569	24.0
120.08913	0.5
121.06484	2.0
121.10123	11.2
123.04408	0.8
123.08047	3.4
123.11699	2.6
125.05943	0.5
125.09616	2.4
127.03912	1.3
127.07539	0.7
127.11131	0.3
128.06195	0.8
129.05502	0.5
129.06993	12.9
131.08554	14.3
133.06490	3.6
133.10112	13.7
134.15096	0.2
135.08044	0.8
135.11671	0.6
137.05984	0.5
137.09610	3.2
137.13254	0.5
139.03893	0.4
141.06937	0.5
142.07771	3.2
143.08513	0.5
145.04953	0.5
145.06494	0.4
145.10100	2.4
147.04443	0.5
147.08040	4.5
147.11668	19.3
148.11984	0.3
149.08391	0.4
149.09607	9.1
151.07512	0.3
151.11188	1.0
153.01817	3.9
155.08562	0.4
157.10109	17.7
159.11636	0.4
159.84125	0.3
163.11156	1.7
163.14981	0.3
165.09074	0.4
165.12750	4.5
169.10152	0.3
171.02895	0.4
171.11606	0.7
175.11165	19.7
177.05453	0.4
183.13828	0.5
184.07297	1.7
186.22144	0.3
189.11214	0.7
189.12735	0.3
193.12222	62.1
194.12570	1.0
211.13264	100.0
212.13625	1.5
213.12656	0.4
227.12657	0.6
229.14330	0.7
231.13771	0.3
233.15291	0.6
241.14363	0.3
249.14810	1.3
255.13654	0.3
267.15884	42.9
268.16211	0.7
269.17404	0.5
273.14777	0.7
285.16928	96.7
286.17261	1.7
297.06293	0.4
307.26141	0.5
315.07040	1.1
349.21512	0.7
357.24097	0.3
367.22580	3.4
385.23764	4.6
403.24841	1.4
415.24634	0.3
431.27859	0.6
433.25790	1.9
441.26334	1.9
459.27368	26.9
460.27295	0.8
461.28485	0.3
477.28430	32.1
478.28729	0.9
495.29486	83.2
496.29926	2.6
639.33862	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.01860	8.3
55.05260	2.2
55.05507	33.5
55.65346	1.4
57.03426	23.0
57.07064	1.7
59.04985	4.3
60.23391	1.2
61.02909	7.2
65.03922	2.6
67.05499	100.0
69.03410	4.0
69.07059	20.9
69.88145	2.7
69.88560	5.7
71.04981	8.9
73.02898	6.2
79.05486	41.7
81.03414	15.7
81.07050	78.8
83.04971	7.9
83.08138	2.0
83.08612	30.1
85.02425	2.1
85.02901	23.0
85.06527	5.9
87.04443	5.1
91.03939	5.1
91.05470	31.6
93.07036	49.1
95.04946	9.8
95.08596	23.8
97.02885	7.3
97.06510	11.5
97.10159	17.8
99.08076	2.9
105.07020	12.4
106.41930	1.4
107.04930	5.6
107.08590	31.5
109.02834	1.4
109.06516	3.9
109.10148	50.2
111.04433	3.1
111.08088	8.9
113.06030	1.4
117.06993	10.3
119.08556	9.8
121.06529	1.8
121.10135	14.0
123.08046	2.5
123.11700	5.2
125.09621	14.6
126.66766	1.3
129.05498	7.5
129.06982	3.2
131.08582	11.3
133.10139	13.0
135.11681	10.8
137.09586	4.1
143.08560	1.6
143.10616	2.7
145.10104	4.1
147.07994	2.2
147.11678	5.7
149.09569	2.3
149.13242	13.0
151.11177	2.3
153.12730	3.3
155.10625	4.7
157.10104	2.7
159.11658	8.2
163.11168	9.2
165.12743	4.6
173.09549	2.3
173.11729	18.9
175.11249	1.7
177.12732	3.9
181.12190	3.0
181.79266	1.4
185.11771	1.8
191.10658	4.3
193.12259	7.6
195.13760	16.1
199.13300	8.8
209.11661	7.7
211.13239	3.6
213.14870	1.9
227.12711	10.2
229.14323	61.9
239.16411	5.1
267.15915	10.4
269.17459	71.1
270.17856	1.7
283.15369	6.3
285.16898	3.5
297.17136	1.9
301.13007	1.0
301.16394	24.5
313.16202	1.5
357.24292	1.9
393.26291	2.7
411.27280	6.2
423.27386	41.5
431.27802	3.8
449.28418	1.8
463.30145	2.3
477.28284	4.0
495.29474	80.6
496.29880	2.4
513.30530	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	692.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.0
55.01624	1.1
55.01869	13.6
55.05507	29.3
57.03144	1.1
57.03431	21.5
57.07070	4.0
59.04999	1.3
61.02925	9.1
63.63520	0.8
65.03929	2.3
67.05503	71.2
69.03423	6.2
69.07064	22.8
69.48747	6.8
71.01335	1.9
71.04990	6.6
71.08658	1.0
73.02915	7.5
74.47096	0.7
77.03886	0.7
79.05488	45.6
80.33367	0.7
81.03416	20.3
81.07053	78.5
82.04205	4.9
82.09055	0.7
83.04972	16.4
83.08617	24.0
84.02151	1.0
85.02899	9.3
85.06548	4.9
87.04452	1.5
91.03944	3.3
91.05477	33.3
93.07038	51.6
94.04177	0.9
94.07819	0.9
95.04961	18.6
95.08598	24.1
97.02876	8.7
97.06528	14.4
97.10168	15.2
98.07301	7.0
99.04441	1.8
99.08085	2.5
101.05988	1.1
105.04485	1.0
105.07032	14.8
107.04958	7.6
107.07860	1.9
107.08587	36.1
109.02888	1.4
109.06512	4.0
109.10154	14.6
111.04415	1.7
111.08079	11.4
113.05990	2.0
116.03946	1.5
116.04702	15.2
117.07008	11.6
119.08578	11.8
121.06506	3.9
121.10141	16.1
123.08053	4.4
123.11686	5.0
125.06030	0.8
125.09626	16.8
127.07574	1.5
127.11211	1.2
129.05473	32.7
129.07004	3.6
131.04880	0.9
131.08559	14.0
133.06462	0.8
133.09116	1.0
133.10120	20.1
134.95302	0.8
135.08034	5.2
135.11681	15.6
136.08833	1.8
137.09596	2.5
139.07507	1.4
139.11195	0.9
143.07033	8.3
143.10675	1.8
144.09329	1.0
145.06453	1.3
145.10135	6.3
147.08047	1.6
147.11699	6.5
149.09579	4.3
149.13240	23.1
151.11191	1.9
153.09103	1.7
153.12721	3.0
157.08592	15.5
157.10095	4.8
158.05750	3.1
159.11679	11.2
163.11172	9.4
164.11868	0.9
165.12737	1.5
171.06519	3.5
171.10152	5.5
173.09586	2.2
173.11768	4.5
175.11171	4.1
177.12718	6.9
181.12267	3.3
185.08119	1.2
185.11681	1.6
189.11220	7.8
191.10672	4.4
193.12210	5.1
195.13824	19.4
196.14093	0.8
199.13289	18.2
200.14044	3.0
203.14377	0.9
209.11726	7.1
210.12378	2.1
211.13313	4.7
213.14824	3.4
227.12744	13.5
229.14354	4.7
233.15378	1.0
239.16359	1.0
255.15912	3.0
265.14246	1.3
267.15866	8.0
269.17468	82.2
283.15396	13.2
285.16904	2.5
301.16437	69.3
323.18466	4.3
337.19855	1.1
351.21527	1.2
393.26389	6.1
411.27325	13.6
423.27408	37.9
437.29004	1.2
449.28683	1.5
459.27289	1.8
461.28867	5.2
463.30212	1.5
477.28574	12.9
478.29056	4.5
495.29492	100.0
496.29544	2.1
513.30060	1.0
639.33344	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.4
55.01871	11.3
55.05508	30.6
57.03182	1.6
57.03433	19.3
57.07063	3.5
59.04988	1.6
61.02928	7.9
61.23172	1.2
65.03922	2.2
67.05502	78.5
69.03422	8.2
69.06719	1.6
69.07064	22.7
69.78525	1.1
71.01346	1.3
71.04980	7.3
71.05626	2.6
71.08643	1.7
73.02914	5.8
73.41027	1.1
79.05490	46.3
81.03414	20.3
81.07054	84.6
82.04185	4.0
83.04974	14.6
83.08610	21.9
84.02065	1.1
84.05751	1.3
85.02898	9.5
85.06523	3.6
91.03938	3.1
91.05476	33.0
91.53239	1.3
93.07040	54.6
94.04213	1.6
95.04967	15.6
95.08047	1.8
95.08600	23.4
97.02892	8.1
97.06518	14.4
97.10162	15.5
98.07297	4.7
99.08066	3.5
103.03931	1.5
105.06374	1.6
105.07024	15.8
107.04939	6.4
107.08589	35.4
109.02833	2.1
109.06512	5.8
109.10147	17.0
111.08074	7.3
113.06030	1.4
115.05446	1.9
116.04709	5.6
117.07017	10.3
119.08559	8.5
121.06491	5.0
121.10127	19.0
123.08075	2.8
123.11699	4.1
125.06015	2.0
125.09624	14.6
127.03887	3.3
129.05472	17.9
129.07010	4.9
131.08563	12.6
133.10130	16.4
135.08043	5.0
135.11684	12.9
137.09583	3.4
139.11163	1.5
143.07030	5.1
143.10637	1.8
145.04976	1.3
145.10107	5.9
147.11676	8.0
149.09589	3.3
149.13258	27.0
151.11163	2.0
155.10652	1.2
157.08582	7.1
157.10078	3.9
158.05716	1.6
159.11705	13.3
163.11200	7.4
165.12733	2.7
171.06508	2.9
171.10168	3.2
173.09625	3.2
173.11674	5.8
175.11169	2.9
177.12747	8.8
181.12186	2.5
184.07286	2.8
189.11232	3.3
191.10693	1.6
193.12279	6.7
195.13824	15.7
199.09612	1.4
199.13287	16.5
209.11679	7.8
211.13226	5.2
213.14877	4.0
227.12724	8.6
229.14270	4.1
255.15947	2.9
267.15833	9.2
269.17465	86.4
272.41006	1.3
283.15393	16.6
284.15820	1.6
285.16727	2.2
301.16422	40.0
323.18463	2.6
323.22064	1.6
393.26291	5.9
411.27530	12.3
413.21530	2.6
413.27158	1.2
423.27448	32.8
449.28659	1.3
459.27417	2.9
461.28964	5.2
464.47086	1.1
477.28497	19.4
478.29108	6.4
495.29514	100.0
496.29907	3.6
567.31976	1.9
621.31903	1.7
639.33386	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	691.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
53.31379	0.4
55.01867	0.8
55.05516	2.2
57.03431	2.0
57.07072	0.5
61.02924	6.6
67.05503	10.1
69.03430	4.4
69.07071	2.3
69.98221	1.3
69.98634	0.7
71.01338	0.5
71.04984	1.1
73.02917	4.1
79.05500	3.7
81.03418	3.4
81.07052	7.4
83.04984	0.7
83.08594	2.3
85.02895	5.3
85.06538	0.6
86.09718	0.6
87.04450	0.5
91.03946	3.2
91.05474	3.0
93.07048	3.6
93.68745	0.4
95.04949	1.1
95.08601	5.1
97.02882	5.9
97.06530	0.7
97.10186	0.6
99.04462	1.2
101.02383	1.6
103.03972	0.5
105.07030	2.1
107.04902	0.4
107.08595	2.6
109.02881	1.5
109.10164	5.9
111.04433	0.5
115.03913	0.9
117.07026	0.9
119.08597	2.1
121.10116	1.9
123.11778	0.5
127.03903	2.1
129.06995	0.5
131.08586	1.7
133.10144	1.9
135.11705	1.3
143.08545	0.7
145.05031	0.4
145.10136	0.8
147.11700	0.6
149.13264	0.8
159.11729	0.7
161.13245	0.4
163.11256	0.4
173.09831	0.5
173.11807	1.3
178.47211	0.4
184.07344	1.6
185.04213	0.5
193.12289	0.5
195.09962	0.9
200.46495	0.3
202.80782	0.4
203.05257	0.5
226.58554	0.4
226.77997	0.4
229.14272	0.6
243.08498	2.0
335.25858	0.8
413.17816	6.1
519.29401	8.2
519.36945	1.4
520.29065	0.5
525.12000	0.4
529.38336	0.6
534.99646	0.4
550.41827	0.5
673.42828	0.8
691.40234	100.0
692.40533	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	691.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.01861	0.7
55.05509	1.7
55.09821	0.3
56.21038	0.3
56.84329	0.3
57.03436	1.9
57.07047	0.4
59.04999	0.5
61.02925	4.6
65.03953	0.5
67.05502	10.0
67.12028	0.3
69.03427	3.3
69.07072	1.4
69.49802	2.8
70.50323	0.3
71.01350	0.3
71.04990	1.1
73.02913	3.4
75.30125	0.3
79.05495	3.3
81.03410	2.8
81.07052	4.7
83.04977	0.6
83.08617	1.1
85.02897	4.9
87.04419	0.3
91.03960	3.2
91.05460	2.3
93.07040	3.7
95.04952	1.1
95.08604	3.4
95.09173	0.4
97.02886	4.8
97.10181	0.6
99.04451	0.8
101.02374	1.5
103.03938	0.3
105.07037	1.3
107.04944	0.4
107.08577	1.8
109.02879	0.8
109.06525	0.4
109.10152	7.5
111.04432	0.5
111.08086	0.6
114.63345	0.3
115.03940	0.3
117.07055	0.6
119.08594	1.9
121.10158	1.4
123.11698	0.6
127.03892	1.7
129.05484	0.3
131.08594	0.9
133.10104	0.7
135.11696	1.0
137.09598	0.5
142.15041	0.3
145.10138	1.0
147.11679	0.5
155.08640	0.3
155.10715	0.5
159.11749	0.4
166.97960	0.3
167.73119	0.3
173.11717	2.7
184.07375	0.7
185.04228	0.9
193.12297	0.5
195.10036	1.0
199.36423	0.3
211.13249	0.5
229.14374	1.1
243.08464	1.9
335.25455	0.4
413.17798	9.9
413.23080	0.6
504.58871	0.3
519.29364	4.1
519.36969	0.9
520.29987	0.4
529.39508	0.3
673.42059	0.4
691.40204	100.0
692.40594	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	691.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
53.03941	0.5
55.01848	0.4
60.62900	0.2
67.05507	1.1
67.49624	0.2
69.03421	1.0
70.06572	0.2
71.04993	0.3
71.54490	0.5
77.29041	0.2
79.01852	2.6
79.05478	0.3
79.88211	0.2
81.03414	2.2
81.07076	0.3
85.02875	0.3
85.06535	0.6
91.05471	0.5
93.07030	0.8
95.04951	0.2
95.08602	3.0
97.02892	6.8
99.04440	0.4
105.06999	0.8
107.01317	1.4
107.04925	0.7
107.08580	0.6
109.02872	3.6
109.06510	0.2
109.10140	0.5
111.07986	0.2
113.06010	0.4
119.08582	1.1
121.06506	0.3
121.10114	0.6
123.04411	0.9
123.08066	1.4
125.02353	3.8
125.69482	0.2
127.03909	8.5
133.10138	0.3
135.04408	0.2
135.11696	0.7
137.09631	0.3
143.03389	5.8
147.04483	0.4
147.07985	0.3
147.11673	0.6
149.09604	4.4
153.01820	100.0
154.02148	0.8
156.09311	0.2
161.13293	0.7
163.03906	0.4
165.12755	0.4
167.07040	0.3
171.02878	19.3
171.11758	0.4
174.10396	0.4
179.07059	0.3
189.12775	2.1
191.03337	0.2
193.04813	0.2
193.15865	0.3
207.13791	6.2
213.03908	0.4
226.30739	0.3
237.03839	0.5
279.05063	1.0
297.06033	5.9
313.58167	0.2
443.35898	0.2
449.07065	0.4
467.08261	5.1
511.60538	0.2
642.81775	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.47
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05015	0.6
58.06614	0.4
58.45483	0.2
60.08161	6.9
65.62488	0.2
67.05496	0.3
69.07040	0.3
69.43484	1.5
71.07372	3.4
71.08620	0.3
81.07047	0.4
85.10166	0.2
86.09701	33.5
93.07029	0.3
95.08607	0.3
97.64562	0.2
98.98457	3.3
104.10735	2.3
107.08545	0.2
114.88843	0.2
124.99998	21.8
141.45221	0.2
143.01064	0.6
166.02737	0.3
174.02530	0.1
184.07330	100.0
185.07704	0.3
233.73676	0.2
393.71832	0.2
496.33759	0.2
556.51819	0.2
580.68817	0.2
630.71692	0.2
690.47028	8.5
691.48602	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.7
53.03941	2.0
55.01866	3.2
55.05257	1.0
55.05508	11.5
57.03436	10.3
57.07059	0.6
59.05011	1.0
61.02917	2.1
65.03934	1.2
67.05500	20.1
69.03423	3.4
69.07063	6.8
69.99094	2.1
69.99503	1.0
71.04996	3.6
73.02910	1.8
76.06596	0.4
79.05486	22.4
81.03413	35.5
81.07051	23.5
83.04977	10.0
83.08614	17.4
83.09113	0.9
85.02420	1.0
85.02901	15.9
85.06541	1.4
87.04497	0.5
91.05473	20.0
93.07038	30.7
94.07347	0.9
95.04967	17.8
95.08601	30.2
97.02884	6.0
97.06529	4.5
97.10144	3.0
99.04451	3.3
99.08111	0.5
99.73164	0.5
103.05474	0.9
105.07027	15.5
107.04951	8.7
107.08589	21.7
109.06520	4.0
109.10143	3.8
111.04411	2.7
111.08063	6.4
113.05975	2.4
115.05437	0.9
117.07020	6.1
119.08575	16.8
121.06501	5.3
121.10140	13.7
123.04408	1.3
123.08065	1.9
123.11721	1.0
125.05954	2.7
125.09631	0.7
127.03896	0.5
127.07533	0.9
129.05510	0.8
129.06999	6.7
130.07808	0.5
131.08548	6.8
133.06496	1.6
133.10118	7.9
135.08089	1.6
135.11687	36.7
136.12074	0.7
137.09634	1.3
139.07555	1.6
139.11179	0.6
142.07790	1.7
143.08498	1.0
145.06470	0.7
145.10117	22.7
147.08075	1.6
147.11670	9.1
147.12778	0.8
149.09599	3.2
153.01880	1.1
153.12749	1.0
157.10115	7.9
163.11171	49.1
164.11475	0.8
165.12791	1.9
173.09608	1.3
175.11197	8.2
181.12195	7.9
184.07402	0.6
193.12234	23.6
208.67085	0.5
209.11777	1.5
211.11526	0.4
211.13280	28.0
227.12769	51.6
228.13188	1.4
247.13206	0.8
265.15091	0.5
267.15894	27.0
268.16336	0.6
283.15378	56.9
284.15726	1.2
285.16943	48.0
286.17358	0.9
301.16406	0.8
352.50790	0.6
461.28934	0.8
475.26920	31.4
476.27087	1.2
493.27933	100.0
494.28345	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	690.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.3
53.03943	1.7
55.01623	0.5
55.01869	5.7
55.05506	15.1
57.03433	12.9
57.07065	0.8
59.04998	2.2
61.02921	4.7
65.03924	0.7
67.05499	18.5
69.03426	4.6
69.06714	0.4
69.07065	5.5
69.45297	2.4
71.01348	1.3
71.04989	4.8
71.08594	0.3
73.02924	1.7
77.03922	0.4
77.83895	0.3
79.05486	22.9
81.03411	41.8
81.07049	23.2
82.03732	0.4
82.07370	0.3
83.01338	5.8
83.04975	15.3
83.08611	20.9
85.02898	19.4
85.03426	0.7
85.06513	1.4
91.03967	1.6
91.05473	23.2
93.07034	23.2
94.07397	0.3
95.04961	18.4
95.08598	10.0
97.02887	5.3
97.06528	4.7
97.10157	3.1
99.04444	2.0
99.08079	1.0
103.05462	0.5
105.07022	18.0
107.04948	9.6
107.08584	12.0
109.02862	0.6
109.06509	6.6
109.10149	2.6
111.04424	3.6
111.08065	6.9
111.08758	0.5
111.11629	0.3
113.06010	1.8
115.05470	0.9
117.07010	5.5
119.04968	0.5
119.08572	15.0
121.06484	3.1
121.10134	9.7
123.04414	1.2
123.08054	6.7
123.11693	1.3
125.05966	1.6
125.09605	1.4
127.03928	1.0
127.07523	0.7
128.06268	0.4
129.05522	0.7
129.06999	6.8
130.07764	1.0
131.04871	0.6
131.08560	8.3
133.06483	1.9
133.10121	8.0
135.08066	1.3
135.11681	7.6
137.06023	0.5
137.09618	2.1
139.07506	0.8
142.07803	1.4
143.08562	0.8
145.06493	0.7
145.10106	11.3
147.04361	0.4
147.08047	3.4
147.11670	7.9
147.12776	0.5
149.05984	0.4
149.09613	4.0
151.07526	0.4
151.11206	0.9
153.01813	0.5
153.12718	1.8
155.08575	1.1
157.10114	8.5
161.09608	0.6
163.11171	16.4
165.09145	0.4
165.12766	2.2
173.09586	2.5
175.11168	8.5
177.05583	0.3
181.12204	1.9
184.07222	0.3
189.11229	0.4
191.09145	0.3
191.10623	1.8
191.53754	0.3
193.12225	25.2
194.12553	0.4
209.11694	4.2
211.13271	36.1
212.13460	0.3
227.12733	2.9
249.14781	0.8
265.10132	0.4
265.14322	0.5
267.15875	8.8
267.18549	0.5
283.15375	54.4
284.15710	0.8
285.16934	29.7
286.17303	0.8
383.22058	2.5
401.23108	1.2
439.24664	0.3
457.20264	0.4
457.25955	3.9
475.26880	16.3
476.27554	0.4
493.27921	100.0
494.28137	2.9
592.28693	0.4
637.32672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
51.34525	0.7
53.03953	3.2
55.01867	1.9
55.05273	0.8
55.05505	4.7
57.03429	3.0
57.41617	0.6
61.02917	0.7
65.24688	0.6
67.05500	6.0
69.03421	12.3
69.07061	2.4
70.62268	1.4
70.62632	1.4
70.92273	0.6
71.04976	2.7
73.02900	1.2
75.04476	1.7
79.05489	21.3
79.68635	0.7
81.03419	16.8
81.07050	11.2
83.04982	3.9
83.08634	3.0
85.02901	7.2
87.04445	1.3
91.05476	17.0
92.05819	0.8
93.07037	78.7
94.07349	0.7
95.04967	9.1
95.08607	6.6
97.02877	8.5
97.06513	1.5
97.10145	1.3
99.04446	3.0
100.35767	0.6
103.05482	0.8
105.04528	0.6
105.07022	15.0
107.04936	3.0
107.08588	14.4
109.02876	5.1
109.06506	2.4
109.10133	1.9
111.04427	2.7
111.08076	4.4
116.06242	1.2
117.07012	2.3
119.08566	12.1
121.06499	2.8
121.10135	100.0
122.10461	1.0
123.04424	0.8
123.08033	3.8
123.11693	0.8
125.09570	1.1
127.03915	4.5
129.05457	0.8
129.07010	2.7
131.08562	11.2
133.06528	1.1
133.10085	3.3
135.11670	6.1
139.11198	3.6
145.04982	1.5
145.10100	4.3
147.04309	0.8
147.08060	1.3
147.11679	2.6
149.09610	67.7
150.09979	0.9
157.10112	1.8
159.11664	1.3
161.09523	1.0
163.11201	8.3
165.12729	0.6
167.07149	0.7
167.10677	17.1
175.11160	3.2
177.05524	0.8
181.12308	1.5
185.13286	0.7
187.36708	0.7
191.10651	0.7
193.12238	5.2
205.25493	0.6
209.11926	0.8
211.13213	5.1
214.17912	1.1
227.12753	6.9
227.51379	0.6
267.15915	4.6
269.17368	1.4
283.15417	13.5
285.03760	1.8
285.10217	0.7
285.16953	6.8
293.13818	11.1
299.01907	1.3
299.14914	0.8
299.36481	0.8
311.14859	19.4
311.18271	1.4
313.03394	5.5
314.04083	1.3
314.98117	0.7
315.01312	3.3
330.03738	7.4
345.06027	36.3
346.06448	1.5
461.29044	1.3
475.26694	5.3
493.27948	22.5
598.32324	0.8
690.37274	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	1.0
51.02371	1.0
53.03941	7.1
55.01869	6.8
55.05508	29.1
56.05834	0.6
57.03436	11.3
57.07066	2.8
59.04996	0.7
61.02906	0.8
64.34924	0.7
65.03935	5.4
66.08485	0.6
67.05499	72.9
69.03423	31.7
69.03813	1.3
69.07062	19.1
69.73101	0.6
70.21677	2.7
71.01345	1.4
71.04987	9.6
73.02905	2.0
73.06567	0.6
77.03922	1.2
79.05486	66.6
81.03410	100.0
81.07049	73.2
82.03741	1.6
82.07398	1.3
83.04474	1.1
83.04974	21.9
83.08131	1.4
83.08612	22.5
85.02898	19.4
85.06534	3.1
87.04461	1.6
91.05474	61.7
91.16222	0.6
91.24762	0.6
92.05798	0.9
93.07035	66.4
94.07333	1.2
94.33312	0.6
95.01309	0.7
95.04959	33.3
95.08599	40.9
97.02884	21.2
97.06516	7.6
97.10168	6.5
99.04439	7.4
99.08082	2.0
101.02377	1.5
103.05451	1.6
105.04526	1.3
105.07021	45.3
107.04945	8.3
107.08585	32.1
108.08904	0.9
109.02870	16.9
109.06513	8.6
109.10144	17.1
111.04432	11.3
111.08073	10.2
113.06020	1.3
113.09665	0.6
115.05453	3.1
115.07584	0.6
117.07010	15.7
119.04903	1.1
119.08572	35.6
120.08923	0.8
121.06519	5.0
121.10136	25.8
123.03612	0.7
123.04385	3.1
123.08072	5.2
123.11696	7.3
125.05991	1.4
125.09595	3.9
127.03909	11.5
127.04793	0.9
127.07543	0.9
128.06221	3.0
129.05479	2.9
129.07001	16.1
130.07776	1.5
131.04935	1.4
131.08551	26.1
133.06502	5.8
133.10121	22.0
135.04364	0.9
135.08041	3.6
135.11687	13.0
137.05992	2.2
137.09601	3.9
137.13213	0.9
141.06973	3.5
142.07764	2.8
143.08559	8.7
144.09163	0.7
145.06451	3.7
145.10100	16.0
147.08011	4.0
147.11679	23.8
148.12015	1.0
149.05969	1.3
149.09598	7.3
149.13229	5.4
151.07481	0.9
151.11201	1.8
153.07022	1.7
153.12749	2.6
154.63683	0.6
155.08560	5.0
157.06522	1.7
157.10120	17.6
159.08099	2.5
159.11687	10.2
161.09619	2.9
161.13268	5.3
163.11137	5.8
163.14848	1.0
165.06996	1.0
165.12729	5.9
167.08548	1.8
168.09282	0.9
169.10112	4.9
171.08090	2.3
171.11627	6.2
173.04433	4.3
173.09612	3.4
173.13258	6.2
175.07564	0.9
175.11171	11.6
175.14833	2.1
177.12764	1.8
179.08513	1.0
181.10161	2.8
181.12263	2.3
183.08049	0.6
183.11652	4.7
185.09607	1.9
185.13232	3.9
187.07719	0.8
187.11192	2.0
187.14830	2.2
189.12776	2.0
191.10689	3.0
191.14452	0.9
193.10394	1.6
193.12222	34.9
195.11697	2.3
195.13649	1.0
197.09647	0.9
197.13190	3.1
199.11156	1.6
199.14845	3.4
201.12886	1.3
201.16475	0.7
203.14256	0.8
204.36725	0.7
205.12267	0.7
207.11775	0.8
207.13870	1.0
209.13347	2.0
211.13254	47.6
213.12816	1.8
213.16435	1.0
215.56166	0.8
217.12198	1.2
219.13837	1.2
221.13358	0.7
223.14915	1.6
225.12865	1.1
225.16438	1.0
227.12642	4.2
229.12370	0.7
229.14420	2.6
239.14348	1.1
241.19498	1.0
243.21112	1.7
247.13475	0.9
247.17046	0.8
249.14812	1.8
251.18013	0.7
253.19543	0.6
255.13855	1.0
258.26721	0.7
259.20636	2.2
261.22134	6.1
265.14545	1.0
267.15836	7.6
271.20792	1.0
273.14856	2.0
277.21759	1.8
283.20483	0.9
285.16812	7.6
289.21646	1.1
297.22229	0.9
301.14133	1.5
301.21716	2.3
303.23553	0.9
309.22089	0.8
313.21637	0.9
315.23221	1.5
317.24814	1.5
319.15411	1.6
319.23010	1.4
323.23740	1.2
327.23148	1.0
333.24924	0.8
335.25812	15.0
337.16675	2.2
339.23111	0.8
341.24799	1.4
345.24335	0.9
351.23193	4.0
355.17432	7.0
357.24509	0.9
369.24216	6.2
387.25244	4.0
393.19159	0.7
405.26379	2.4
411.20197	6.0
425.26974	0.7
431.27908	0.7
435.32788	1.2
443.28006	3.2
453.34137	0.9
461.28906	3.8
479.30002	1.3
525.35431	0.8
527.37213	14.4
528.38025	0.9
543.37128	1.0
545.38245	7.7
561.37872	0.9
569.38226	0.8
579.36353	0.7
597.38391	0.7
615.38330	0.9
617.38605	0.9
635.39423	1.8
653.40289	5.6
671.41327	7.9
672.41882	0.7
689.42487	73.8
690.42285	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	689.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.4
55.01872	6.1
55.05507	27.2
57.03432	15.2
57.07054	2.4
61.02914	1.1
65.03938	7.3
67.05501	72.6
69.03427	35.6
69.07064	20.1
71.04990	13.2
71.05547	2.7
79.05488	67.1
80.05834	1.3
81.03413	100.0
81.07052	80.5
82.03741	1.5
82.07376	1.4
83.04978	24.7
83.08612	22.5
85.02901	24.1
85.06534	3.7
87.04466	4.5
91.05477	64.3
91.18552	1.3
91.60136	1.2
93.03374	1.3
93.07037	65.2
95.04968	32.3
95.08604	48.9
95.09225	1.7
95.90060	1.1
97.02885	20.2
97.06525	10.2
97.10183	6.9
99.04468	7.6
99.08086	2.6
103.05461	1.7
105.07026	51.4
107.04955	9.8
107.08586	31.0
107.09287	1.8
109.02883	15.7
109.06525	11.0
109.10155	17.3
111.04418	11.5
111.04957	0.9
111.08087	10.2
113.06021	2.7
115.05465	4.3
117.07009	17.6
119.04961	1.6
119.08570	37.4
121.06518	4.8
121.10130	30.1
123.04434	3.6
123.08057	5.6
123.11695	7.5
125.06049	1.3
125.09618	3.0
127.03918	8.3
128.06213	4.0
129.05479	4.2
129.06984	17.9
130.07738	2.1
131.04918	2.6
131.08563	25.6
133.06500	6.1
133.10118	25.4
133.11072	1.8
135.08067	5.0
135.11684	15.9
137.09657	3.6
137.13249	2.0
141.06990	2.8
142.07813	3.8
143.08556	11.1
145.06485	3.6
145.10110	18.5
147.04486	1.5
147.08072	5.9
147.11667	28.3
149.09604	5.7
149.13191	5.6
151.05971	1.2
151.11104	1.2
153.06911	1.4
153.12694	2.9
155.07404	1.2
155.08493	5.5
157.06512	1.6
157.10130	19.6
159.08017	3.1
159.11682	12.1
161.09627	2.1
161.12105	1.1
161.13179	5.6
163.11145	5.8
163.14867	2.0
165.05493	1.3
165.12778	5.6
167.08604	1.8
169.10162	5.3
171.08075	2.9
171.11678	8.7
173.04509	5.2
173.09550	2.7
173.13242	7.7
175.11192	12.8
175.14867	2.2
177.12761	2.3
179.08620	2.2
181.10181	4.1
181.12248	3.2
183.11713	5.5
183.13809	1.2
185.13280	4.4
187.11217	2.4
187.14754	3.1
189.12737	2.7
191.10590	5.6
191.14366	1.4
193.12241	35.2
194.12561	1.3
195.08032	1.4
195.11780	3.6
197.09631	2.5
197.13283	3.3
199.11232	2.2
199.14828	4.6
207.13847	1.3
209.13403	2.7
211.13264	55.8
213.12875	2.2
215.14198	1.9
217.12296	1.7
221.13220	1.4
225.12674	1.6
227.12648	7.1
227.14731	1.6
229.14255	2.9
237.12776	1.3
241.19638	1.2
243.13814	1.4
245.15477	1.5
253.19279	1.1
255.13608	1.6
259.20654	3.5
261.22015	5.5
267.15845	12.5
273.14996	2.6
273.22122	1.4
277.21625	3.3
283.15582	2.6
283.20331	1.2
285.17029	12.4
285.74365	1.3
289.21579	1.4
301.14297	1.8
301.21802	3.5
303.23126	1.4
315.23102	1.5
317.24850	1.5
319.15305	1.4
319.22659	1.5
325.21643	1.3
327.23334	2.0
333.24408	1.7
335.25787	16.7
337.16373	2.7
339.23276	2.0
341.24826	2.6
351.23224	5.4
353.24747	1.7
355.17645	5.8
369.24280	10.9
387.25140	6.3
405.26413	3.3
411.20010	8.4
435.32443	1.3
443.27902	4.4
461.28888	6.6
486.61789	1.2
527.37427	9.9
545.37964	6.6
635.39490	3.4
641.40997	2.3
653.40448	8.5
671.41620	11.3
682.39624	1.4
689.42542	76.5
690.42749	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	689.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.0
54.65533	0.9
55.01869	7.6
55.05508	29.3
57.03432	12.7
57.07066	2.6
59.04998	1.5
61.02920	2.7
63.66529	0.8
65.03937	5.3
67.05500	79.3
69.03425	33.6
69.07063	20.2
71.01351	1.9
71.04995	12.8
71.61540	1.3
73.02911	1.9
73.06586	1.0
77.03912	1.6
79.05486	68.1
81.03413	100.0
81.07050	81.3
81.07750	1.5
83.04978	21.0
83.08611	23.7
85.02898	21.6
85.06546	4.4
87.04480	1.5
91.05474	68.0
93.03407	0.9
93.07038	64.5
95.01317	1.9
95.04960	40.5
95.08599	46.7
96.08971	1.1
96.63236	0.9
97.02885	23.7
97.06525	10.0
97.10155	6.9
97.66772	1.1
99.04449	7.7
99.08083	2.6
101.02367	1.1
103.03933	1.7
103.05485	1.7
105.04514	1.5
105.07022	54.1
107.04956	14.0
107.08580	37.5
109.02868	16.4
109.06516	11.0
109.10144	19.9
111.04424	13.8
111.08066	8.9
113.05972	1.3
115.03970	1.3
115.05476	3.3
117.07012	23.1
119.04965	2.0
119.08576	42.7
121.06513	6.4
121.10138	28.3
123.04436	7.8
123.08066	7.6
123.11673	7.3
125.09595	4.6
127.03905	13.4
128.06226	3.4
129.05492	3.4
129.06998	18.3
130.07796	1.2
131.04938	2.6
131.08562	33.6
133.06505	7.4
133.10126	22.6
135.04391	1.4
135.08043	5.0
135.11679	18.3
137.05962	1.7
137.09654	3.6
137.13286	2.0
141.05962	0.8
141.06956	5.3
142.07782	5.2
143.08554	11.8
145.06483	5.2
145.10107	22.8
147.04431	2.7
147.08017	7.5
147.11678	27.9
149.05956	1.8
149.09596	7.7
149.13228	7.3
151.07559	1.5
151.11212	2.4
153.06967	1.9
153.12741	2.3
155.08543	8.5
156.09344	2.1
157.06514	2.5
157.10133	17.9
158.07129	1.2
159.08093	4.0
159.11687	16.1
161.05980	1.9
161.09624	3.9
161.13260	6.5
163.07533	2.3
163.11168	6.8
163.14799	2.0
165.05589	1.0
165.06973	1.4
165.12752	6.7
167.08614	2.6
168.09377	1.3
169.10139	7.0
171.08092	4.0
171.11655	8.3
173.04451	6.5
173.05824	1.1
173.09618	5.0
173.13234	7.3
175.11169	14.4
175.14784	2.3
177.12735	2.3
179.08577	1.5
179.10754	1.0
181.10143	4.4
181.12296	2.8
183.11716	5.9
183.13782	1.7
185.09619	2.8
185.13264	6.9
187.11188	2.9
187.14841	2.9
189.11203	2.2
189.12804	3.5
189.16432	1.0
191.10725	4.2
191.14314	1.0
193.10408	2.0
193.12227	30.7
195.11740	5.1
195.13826	1.5
197.09624	2.0
197.13202	4.5
199.11223	2.4
199.14838	4.0
201.12794	1.7
203.14369	1.9
205.12213	2.0
205.15999	1.2
207.11819	2.1
207.13873	1.5
209.13327	3.7
211.11409	2.1
211.13252	52.0
213.12827	2.3
213.14751	1.4
213.16548	1.3
217.12247	2.1
217.15855	0.9
219.17569	0.9
223.14917	2.0
223.16844	1.0
225.12785	1.3
227.12775	4.2
227.14598	2.0
229.14354	3.6
235.13167	5.5
237.12836	1.7
239.18097	1.2
241.19514	1.3
243.21022	2.0
245.15485	2.1
249.14784	2.1
257.15399	1.1
259.13342	2.2
259.20633	3.8
261.14764	1.0
261.18677	0.9
261.22168	6.3
267.15918	13.2
271.20660	1.5
273.14828	4.3
273.22391	1.6
277.21622	3.3
285.16876	12.5
287.20319	1.2
287.23920	1.1
289.14529	1.0
297.22198	1.1
299.20334	1.1
301.14093	5.4
301.21777	3.5
309.16901	1.4
313.21713	1.8
315.23212	2.5
317.24765	1.3
319.15378	2.9
319.22714	1.0
323.23746	2.0
327.23407	2.3
335.25800	18.0
337.16434	3.7
339.23419	1.5
341.24826	3.2
345.24359	1.8
351.18652	0.9
351.22952	4.7
353.24579	1.5
355.17520	7.1
363.25772	1.2
369.24203	9.7
371.25723	1.1
375.17978	2.0
387.25281	5.6
393.19171	2.7
405.26508	3.3
411.20044	9.4
425.26794	1.2
435.32776	2.3
443.27847	4.9
453.33368	1.1
457.46054	0.9
461.29025	5.2
479.30249	1.4
509.36203	1.7
527.37244	20.6
543.36621	1.1
545.38416	9.1
561.36639	1.4
569.38196	2.8
579.37183	1.2
611.39429	1.5
615.39124	1.9
623.38550	1.1
635.39478	5.0
641.40118	1.8
653.40228	8.7
671.41400	13.3
689.42499	76.7
690.42938	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	689.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.2
55.01863	5.8
55.05510	27.7
57.03429	9.8
57.07061	3.9
65.03934	4.1
67.05499	66.3
69.03426	35.5
69.07063	15.0
71.01359	1.4
71.04988	9.2
71.60239	1.4
71.60600	1.6
74.79296	1.2
79.05488	57.3
81.03413	92.8
81.07050	66.4
83.04977	21.5
83.08623	21.7
85.02892	18.3
85.06527	3.7
86.09669	1.5
87.04445	2.4
89.06029	2.8
91.05474	51.5
93.07034	64.7
95.04962	35.4
95.05557	2.6
95.08598	39.2
97.02885	18.5
97.06519	7.3
97.10167	5.9
99.04446	6.8
99.08106	1.5
105.04515	1.7
105.07021	42.6
107.04936	9.6
107.08585	30.5
109.02867	17.5
109.06490	6.9
109.10148	16.7
111.04430	11.7
111.08079	9.9
113.06020	1.9
115.05463	1.5
117.07020	15.9
119.08575	30.7
121.06506	4.6
121.10136	29.0
123.04438	3.3
123.08047	4.6
123.11707	5.9
125.09616	4.0
127.03912	10.4
128.06221	2.4
129.05524	1.7
129.06999	16.0
130.07837	1.9
131.08565	26.3
133.06508	5.0
133.10115	19.8
133.32709	1.3
135.08058	2.7
135.11676	17.6
137.09634	3.6
141.06961	3.2
142.07787	3.6
143.08557	6.3
145.06479	4.0
145.10127	15.6
147.08054	4.5
147.11671	20.4
149.09624	7.7
149.13295	5.5
151.11215	1.9
153.12689	2.6
155.08475	2.3
157.10115	15.3
159.08112	2.1
159.11656	9.3
161.09627	2.3
161.13278	5.0
163.00127	1.1
163.11201	5.7
163.14850	1.7
165.12799	4.4
167.08720	1.4
169.10121	3.0
171.08124	2.2
171.11716	4.5
173.04489	2.1
173.09567	2.6
173.13213	6.9
175.11215	13.9
175.14896	2.3
177.12663	1.9
181.10303	1.3
181.12300	4.1
183.06616	1.4
183.11713	3.7
184.07326	9.3
185.07805	2.1
185.09612	2.5
185.13316	2.2
187.14870	2.6
189.11259	1.8
189.12784	1.5
191.10696	4.8
193.12222	44.8
197.09691	1.5
197.13240	2.1
199.11247	1.3
199.14912	2.5
201.12849	1.9
211.13269	72.7
221.15465	1.6
227.12656	7.1
229.14233	2.9
249.14879	3.7
259.20575	2.8
261.22232	5.0
267.15839	7.8
271.20554	1.8
285.17020	8.6
301.21741	3.2
315.23178	2.4
317.24551	1.6
327.23203	1.7
335.25812	10.2
337.16443	2.0
351.23227	5.2
355.17505	9.2
369.24329	8.3
382.39108	1.4
387.25183	4.1
393.19299	1.5
405.26331	2.5
411.20215	7.3
443.28104	3.3
453.34137	1.8
461.28735	6.4
527.37256	6.3
545.38629	7.4
611.39215	1.8
635.39337	2.2
653.41077	6.3
671.41400	10.9
689.42517	100.0
690.42761	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	688.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
55.01860	2.4
55.05505	14.4
57.03436	9.8
61.02907	2.3
65.03934	1.5
67.05501	36.1
69.03418	4.7
69.07060	8.0
71.04987	4.5
71.59154	1.2
71.59850	0.9
72.69788	0.9
73.06548	1.1
79.05489	48.6
81.03413	46.3
81.07050	37.6
83.04976	16.0
83.08611	14.4
85.02898	15.4
85.06532	2.9
87.04460	1.0
91.03972	1.2
91.05473	49.1
93.07035	43.2
95.04961	28.1
95.08603	18.0
97.02879	3.7
97.06518	4.7
97.10160	3.6
99.08081	1.1
103.05453	0.8
105.04488	1.0
105.07022	34.8
107.04947	7.4
107.08578	12.0
109.06499	5.8
109.10126	5.0
110.61064	0.8
111.04412	1.5
111.08070	6.4
113.06003	1.9
115.05437	1.5
117.06991	4.3
119.04944	1.2
119.08569	25.1
121.06480	3.0
121.10135	7.7
123.04359	1.3
123.08079	4.5
123.11629	1.4
127.03906	1.0
127.07494	2.1
128.06224	1.4
129.07001	16.0
129.75247	0.8
131.08580	9.5
133.06451	2.7
133.10120	13.4
135.08049	1.3
135.11693	1.2
137.09627	1.7
139.07529	1.1
142.07751	2.3
143.08553	4.5
145.10112	5.6
147.08034	2.7
147.11670	26.5
149.09631	4.0
151.11148	0.8
152.27878	0.8
157.10123	10.4
161.05949	0.8
161.09584	2.9
161.13257	4.8
163.11186	1.2
165.12717	2.0
171.11670	13.8
172.56728	0.8
172.58197	0.9
175.11188	8.4
177.05295	0.8
189.12746	5.0
193.08559	0.8
193.12228	22.7
207.13789	14.9
211.13275	29.9
225.14824	1.1
237.45132	0.9
249.14873	1.8
267.15915	29.9
281.17450	49.6
285.16937	32.1
286.17194	1.1
381.23981	0.9
381.47260	1.0
407.73734	0.8
473.28964	100.0
474.29257	2.5
491.29993	76.5
492.30325	2.5
605.71796	1.0
635.34375	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.7
55.01867	8.0
55.05508	21.6
57.03433	8.7
57.07056	1.9
58.28187	1.7
65.03931	1.7
66.41301	1.4
67.05499	50.8
69.03424	21.6
69.07063	16.6
71.04982	6.3
79.05061	3.0
79.05491	46.0
81.03413	61.2
81.07051	49.6
83.01340	2.6
83.04985	15.7
83.08621	11.9
85.02880	5.4
85.06535	2.4
91.05475	40.4
93.07038	52.4
95.01336	1.7
95.04961	16.7
95.08602	35.4
97.02886	17.2
97.06512	7.9
97.10157	6.2
99.04458	5.5
105.07026	35.7
107.04962	10.0
107.08588	26.6
109.02882	14.2
109.06512	6.0
109.10173	14.1
111.04449	8.9
111.08105	3.6
117.07009	12.4
119.08575	22.3
121.06527	4.8
121.10146	19.2
123.04414	1.7
123.08046	4.8
123.11651	2.5
125.09641	4.4
127.03864	7.8
129.07004	6.1
130.07806	2.6
131.04973	1.8
131.08540	18.4
133.06490	2.6
133.10114	15.7
133.70004	1.4
135.08023	4.4
135.11678	19.0
137.06065	1.8
137.09595	2.0
141.07001	1.8
142.07687	1.5
143.08582	4.9
145.06522	1.8
145.10101	20.3
147.08084	3.4
147.11665	10.4
149.09610	3.2
149.13281	4.8
153.12733	8.1
155.08549	4.2
157.10149	4.6
159.11707	8.9
161.13277	2.8
163.11183	13.5
163.14771	1.9
166.26480	2.0
169.10164	4.0
171.11658	2.6
173.04449	2.2
173.09621	3.6
173.13211	3.7
177.12788	3.1
179.14328	2.6
181.12289	7.6
183.11743	3.4
185.13289	2.4
187.11136	1.7
189.09326	1.7
189.11224	2.6
191.10703	5.8
195.13873	1.8
197.13252	2.0
209.11768	5.7
225.13002	1.5
227.12680	12.5
235.65752	1.6
257.19162	1.8
259.20859	1.8
261.22205	3.6
265.14432	1.7
275.20016	8.4
277.21646	1.7
283.15424	3.3
299.56326	1.5
301.21558	2.7
331.22742	1.5
335.26117	1.7
351.23056	2.0
353.15900	12.1
369.24026	3.4
387.25751	2.3
395.21106	1.8
409.18414	2.2
525.35815	4.2
543.36670	3.9
669.39899	5.0
687.40930	100.0
688.41486	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	686.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
55.01860	1.2
55.05259	0.8
55.05510	9.6
57.03437	11.3
57.07074	1.3
59.05006	4.4
61.02924	4.5
61.28473	0.4
61.74922	0.5
65.03932	2.2
67.05502	92.6
68.05836	0.7
69.03412	1.4
69.07063	7.3
70.65933	0.8
71.04993	3.5
73.02910	1.4
79.05487	16.9
81.03402	1.0
81.07052	34.4
83.05007	0.6
83.08616	6.3
85.02892	3.9
85.06541	1.8
91.03950	1.4
91.05478	11.2
91.06010	0.9
93.07039	21.3
95.04951	2.4
95.08600	22.2
96.73590	0.4
97.02884	2.0
97.06520	0.6
97.10174	2.6
98.21427	0.5
99.08070	1.1
103.03934	0.6
105.07019	5.4
107.08588	11.4
109.06508	0.8
109.10150	74.2
110.10481	1.0
111.08072	3.1
117.06996	2.7
117.18665	0.4
119.08581	10.9
121.10126	9.5
123.11697	4.0
125.09647	0.9
127.03877	0.6
131.08546	5.5
133.10133	3.4
135.11681	7.6
135.12685	0.7
137.09599	3.8
137.13254	1.1
145.10141	3.5
147.11668	3.3
149.09612	0.7
149.13261	3.4
151.14825	0.5
153.48335	0.4
155.10629	4.3
159.11687	3.7
161.13216	2.4
163.14798	2.0
165.12607	0.5
173.11757	20.6
173.13266	2.9
175.14809	0.6
177.16382	0.7
187.14815	1.8
189.11192	0.7
201.16351	0.5
227.12764	5.7
229.14337	100.0
230.14668	2.0
233.22548	0.9
243.21036	4.1
261.19360	1.0
261.22128	15.8
262.22589	0.6
299.23761	0.7
317.24573	3.2
335.25778	65.9
336.26181	2.8
379.29797	0.7
397.30765	1.5
415.31854	1.9
471.34454	1.8
489.35730	41.7
490.35977	2.7
507.36917	4.0
630.14917	0.6
639.08514	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
53.13376	1.0
55.01864	2.8
55.05508	15.7
57.03203	1.3
57.03434	10.6
57.07074	32.5
58.38565	1.2
65.03926	1.7
67.05165	2.4
67.05501	29.7
69.03431	9.2
69.07063	10.0
69.60384	9.7
71.04980	3.6
71.08625	24.2
71.36199	1.3
79.05487	13.8
81.03409	54.5
81.07043	29.0
83.04971	32.7
83.08616	23.2
85.02907	13.6
85.06525	1.5
85.10178	13.3
89.06009	1.6
91.05474	14.1
93.07043	9.1
95.04955	15.2
95.08601	22.9
97.02877	10.4
97.06509	1.8
97.10176	6.3
99.04448	4.6
105.07016	11.3
107.04945	3.1
107.08578	6.8
109.02894	6.3
109.06527	2.8
109.10151	14.8
111.04430	14.4
111.08089	7.8
111.11655	1.3
113.05978	1.7
117.07024	1.7
119.08553	10.8
121.06482	2.4
121.10155	8.0
123.08071	1.7
123.11715	4.4
125.09641	1.5
127.03932	8.0
129.05464	13.2
129.06979	6.5
131.08571	7.9
133.06503	1.4
133.10132	6.1
135.11710	1.7
145.10107	2.0
147.08110	1.3
147.11670	12.8
148.34598	1.1
149.09659	5.3
153.12706	2.0
157.10124	8.4
163.11168	3.0
165.05525	1.2
165.12781	2.6
175.11154	9.6
181.12119	3.2
191.10667	3.9
193.10965	0.7
193.12233	33.3
211.13269	44.8
227.12715	8.3
227.80019	1.1
228.97948	1.3
229.14256	10.5
229.16316	1.4
239.23648	4.3
249.14948	1.5
261.22202	1.8
267.15906	16.6
283.15372	1.7
285.16898	12.1
313.27322	53.3
314.27753	3.1
335.25760	3.9
337.16391	3.0
355.17493	5.0
411.19733	2.0
429.21191	20.4
463.74384	1.5
489.35608	3.7
505.38812	12.6
506.40002	1.6
516.38684	1.3
523.39923	100.0
524.40558	9.6
667.44141	20.0
668.43835	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01871	1.5
55.05256	0.9
55.05509	11.9
57.03437	12.4
57.07071	2.6
59.04995	3.2
59.33378	0.5
61.02922	4.5
65.03931	2.2
67.05503	99.5
68.05811	0.9
69.03445	2.2
69.06708	0.9
69.07064	9.4
69.92511	0.9
69.92921	2.2
71.04990	3.7
71.08611	0.7
73.02926	1.1
79.05490	22.7
81.03419	1.9
81.07054	41.8
82.07384	0.7
83.04977	1.8
83.08619	9.3
85.02900	4.5
85.06535	3.0
90.01626	0.5
91.03954	2.1
91.05477	16.1
93.07041	26.7
95.04961	2.9
95.08602	27.3
96.04484	0.6
97.02886	2.8
97.06534	2.0
97.10162	2.1
99.04445	0.5
99.08079	1.0
105.07023	8.3
106.48383	0.5
107.08592	16.4
108.46378	0.5
109.06525	1.6
109.10152	77.8
110.10498	2.0
111.08092	3.9
113.06010	0.5
117.07019	3.0
119.08576	11.9
121.10141	12.8
123.08091	0.6
123.11701	4.8
125.09630	0.8
127.03927	0.7
127.11198	0.6
127.39270	0.5
131.08566	6.0
133.10114	6.0
135.11693	9.1
137.09615	3.2
137.13228	1.2
143.08539	0.6
145.04955	0.6
145.10121	4.8
147.11668	3.9
149.09618	0.7
149.13255	3.8
151.11177	0.6
155.10655	3.2
159.11703	3.6
161.13263	2.8
163.11232	0.6
163.14874	2.1
165.12709	0.5
173.11771	21.8
173.13275	3.8
175.14850	1.0
177.16440	1.0
183.11656	0.4
187.14803	1.7
189.11171	1.3
201.16380	1.5
205.69490	0.5
227.12779	5.0
229.14345	100.0
230.14713	2.0
233.22620	0.7
243.21021	6.1
259.20370	0.5
261.22147	19.0
262.22388	0.8
317.24670	3.5
327.92572	0.5
335.25784	86.0
336.26083	3.8
379.30222	0.8
397.30942	1.4
398.30090	0.5
415.31766	0.7
471.34668	1.5
489.35733	70.6
490.35870	5.5
507.36542	4.7
554.16302	0.6
687.40607	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.1
51.55109	0.1
53.03931	0.3
53.66481	0.1
55.01865	0.1
57.03418	0.2
62.01555	0.1
63.02108	0.1
63.02391	0.4
63.46452	0.1
69.03426	0.7
70.79015	0.2
70.79407	0.3
73.02917	0.2
77.03911	0.1
77.95761	0.1
78.04710	0.3
79.05488	0.1
81.02924	0.1
81.03413	3.6
85.02898	1.2
89.03908	5.1
91.05478	0.4
95.04958	0.3
95.90771	0.1
96.71316	0.1
97.02890	0.3
99.04440	0.4
103.05482	0.2
105.03275	0.1
106.04171	0.3
109.02871	1.1
117.03370	16.5
118.03677	0.2
119.04942	0.1
124.05193	0.3
127.03917	0.4
134.03633	1.3
135.04411	1.6
145.02834	45.1
146.03178	0.7
147.04341	0.2
149.05969	6.4
153.01942	0.1
158.06007	0.3
162.03119	0.2
163.03922	0.7
177.05453	100.0
178.05806	1.2
186.05492	2.0
195.06526	1.2
279.08609	0.1
313.03683	0.1
321.09680	5.5
339.10709	3.5
345.06128	0.5
358.72961	0.1
541.13898	0.1
683.36115	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
54.74875	0.3
55.01856	0.7
55.05505	1.5
57.03189	0.3
57.03427	1.7
61.02648	0.3
61.02926	4.5
61.65078	0.2
64.58477	0.2
65.03948	0.2
67.05507	3.8
69.03429	2.9
69.07061	1.4
69.28927	2.1
69.29342	0.7
71.01351	0.3
71.04974	0.7
73.02911	2.7
79.05489	2.7
81.03413	4.3
81.07053	5.1
82.44735	0.3
83.04971	1.2
83.08611	1.6
85.02415	0.5
85.02903	5.9
85.06580	0.2
86.43302	0.2
87.04478	0.5
91.03957	3.4
91.05469	3.0
93.07042	3.6
95.04964	1.5
95.08607	1.2
97.02882	4.0
97.06531	0.7
98.21468	0.5
99.04449	1.1
99.08081	0.3
101.02377	1.7
103.03922	0.5
105.07017	1.5
107.04934	0.6
107.08611	1.4
109.02877	0.8
109.06530	0.6
109.10098	0.6
111.04463	0.2
111.08089	0.6
115.03889	0.5
117.07013	0.6
119.08588	1.3
119.80598	0.3
121.10143	1.3
123.08076	0.2
123.11715	0.4
125.09644	0.3
127.03912	1.3
129.05534	0.3
129.07022	0.5
130.08908	0.2
131.08586	1.4
133.10132	1.8
135.11757	0.4
142.07782	0.3
145.04973	0.3
145.10097	0.4
147.04468	0.3
147.11714	1.3
149.09637	0.3
149.13260	1.0
157.10150	1.1
159.11681	0.6
175.11205	0.8
177.12740	0.4
185.04222	0.4
193.12244	2.1
195.13861	1.0
203.05376	0.4
211.13330	1.0
215.36441	0.3
224.95816	0.2
235.12979	1.2
243.08409	2.0
251.12506	0.8
269.12366	0.4
269.17480	0.7
285.17004	0.4
288.33401	0.2
307.15189	0.6
428.28104	0.4
453.21011	5.5
454.21210	0.3
469.20450	10.2
470.20673	0.4
520.32574	0.8
681.34485	100.0
682.34833	5.2
682.46295	0.4
708.15656	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	11.6
56.73526	1.7
57.03422	8.1
61.02920	18.9
65.03941	2.1
65.91044	1.9
67.05502	53.5
69.03436	4.4
69.07063	11.8
71.04980	3.7
71.60272	2.3
73.02907	8.1
73.41105	1.7
79.05490	34.4
81.03413	3.0
81.06578	3.5
81.07050	58.3
82.07383	2.6
83.08609	6.1
85.02905	28.5
85.06539	4.2
91.03954	27.2
91.05471	16.9
93.06473	3.2
93.07040	46.9
93.41280	2.0
95.04951	3.6
95.08603	62.9
96.08960	2.2
96.79832	1.6
97.02910	14.6
97.06519	4.1
97.10162	4.5
97.59976	1.8
99.23576	1.8
101.02333	2.0
104.18689	1.8
105.07018	23.3
107.08586	38.5
109.02912	2.2
109.06498	2.7
109.10152	39.0
117.07012	8.2
117.81281	2.0
119.08583	15.9
121.10139	29.7
123.08062	1.9
123.11694	11.7
125.09617	3.2
127.03909	6.9
129.69218	2.1
131.08565	14.5
132.64369	2.0
133.10124	16.2
135.11691	32.8
137.09625	4.6
137.13237	4.0
139.11115	2.4
145.04956	12.3
145.10110	20.1
147.11685	19.3
149.13248	23.4
151.11133	3.2
159.11665	18.1
160.38013	2.4
161.13271	5.3
163.06035	21.0
163.14812	7.0
165.12769	4.7
173.13264	10.2
175.14761	2.2
187.14822	6.6
229.19510	45.0
242.74149	2.0
247.20566	100.0
250.09961	2.0
265.21643	5.8
289.21783	2.2
321.24261	35.2
339.25281	78.7
339.29385	4.0
340.25653	2.1
465.28391	2.0
483.29431	7.5
485.93683	2.4
615.08557	2.4
634.29004	2.3
680.32391	9.8
681.33392	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	681.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
55.01860	0.3
55.05498	0.7
55.53085	0.2
55.62251	0.2
56.66140	0.2
57.03439	1.2
58.01876	0.2
59.62118	0.2
61.02925	3.8
65.26241	0.2
67.05503	2.6
69.03428	2.0
69.07077	1.0
71.01337	0.2
71.04987	0.5
73.02908	2.6
78.36908	0.2
79.05481	2.0
81.03413	3.0
81.07052	3.9
82.63344	0.2
83.04982	0.8
83.08604	1.4
85.02897	3.9
85.06537	0.3
87.04523	0.3
91.03960	2.2
91.05479	1.9
93.07043	2.6
95.04958	1.1
95.08611	1.1
97.02877	3.6
97.06538	0.6
98.20686	0.3
99.04455	0.9
99.08112	0.2
101.02380	1.1
103.03958	0.4
105.07017	1.4
107.04950	0.4
107.08603	1.3
109.02882	0.8
109.06545	0.5
109.10175	0.5
111.08080	0.5
113.00056	0.2
115.03909	0.3
117.07054	0.5
119.08572	1.2
121.06519	0.3
121.10136	1.3
122.51472	0.2
123.04443	0.2
123.08049	0.2
123.11669	0.3
127.03902	1.1
129.06976	0.5
131.08569	0.9
133.10077	1.0
135.11713	0.3
145.04933	0.3
147.11717	1.0
149.13272	1.2
157.10133	1.0
159.11732	0.5
175.11230	1.0
177.12762	0.4
185.04300	0.4
193.12202	1.3
198.36998	0.2
203.05199	0.4
211.13371	0.4
216.09766	0.2
235.13107	1.3
243.08357	2.1
251.12540	1.0
254.65440	0.2
269.12247	0.5
269.17389	0.3
285.16931	0.2
289.09692	0.2
291.15689	0.3
303.59604	0.2
307.15027	0.4
453.20950	5.6
469.20435	8.2
470.21155	0.4
519.29321	0.5
567.19031	0.2
681.34491	100.0
682.34924	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	679.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01868	0.8
55.05509	2.3
57.03431	2.3
60.08162	0.8
61.02927	5.1
65.03936	0.4
67.05501	6.0
69.03420	3.6
69.07069	2.0
69.51989	3.6
71.04985	1.3
73.02909	2.7
79.05489	5.1
81.03413	6.6
81.07056	7.8
83.04971	1.3
83.08594	2.1
83.20701	0.4
85.02905	5.8
86.09692	2.6
87.10014	0.6
91.03956	3.1
91.05475	5.9
93.07041	5.9
95.04961	2.7
95.08596	2.6
97.02892	5.0
97.06516	0.6
97.10198	0.5
98.21491	0.8
99.04466	0.9
100.11294	0.5
101.02357	2.2
105.07012	4.2
107.04938	1.2
107.08579	3.8
109.02883	1.0
109.06514	1.1
109.10152	1.3
111.04440	0.6
111.08074	0.6
115.05511	0.4
117.07007	2.1
119.08571	2.7
121.06513	0.5
121.10117	2.0
123.08055	0.9
123.11677	0.5
124.99992	2.0
127.03941	2.0
129.05479	0.5
129.07004	0.9
131.08582	2.1
133.10149	2.7
135.08044	0.8
135.11676	1.6
143.08537	0.7
145.04922	0.6
145.10143	1.9
147.08096	0.6
147.11671	0.6
149.09607	0.5
149.13231	1.0
155.08553	0.9
157.10115	0.8
159.11676	0.7
163.11201	1.9
171.11681	0.7
173.13306	0.6
175.11281	0.8
184.07347	10.3
185.07759	1.3
187.14749	0.4
193.12158	0.8
195.13882	0.9
211.13455	1.3
215.14362	0.5
222.54230	0.4
233.15376	1.7
235.13159	0.9
243.08440	2.1
267.15948	2.2
269.17313	0.6
273.12329	0.4
283.15683	0.6
307.19046	2.6
424.27719	0.8
429.21606	0.7
450.29401	0.9
451.19141	0.7
453.20938	6.2
467.18933	5.5
482.32065	0.9
499.30609	3.3
517.32001	0.6
661.36517	1.2
679.32916	100.0
680.32776	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	678.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67178	1.9
51.42659	1.5
53.03938	3.9
55.01860	2.7
55.05508	24.7
57.03428	16.2
57.07063	2.8
59.39600	1.5
60.08155	4.8
61.02909	3.7
65.03931	3.0
67.05500	47.6
68.05839	1.5
69.03414	4.8
69.07066	22.6
71.04987	8.4
71.07361	1.4
71.60276	1.6
71.60705	2.5
71.61074	1.5
73.02906	2.9
79.05483	35.8
81.03414	57.6
81.07050	69.7
82.07379	3.7
82.87112	1.3
83.04973	17.6
83.08612	36.2
85.02890	25.1
85.06527	5.5
86.09698	22.4
91.03961	3.1
91.05473	38.0
93.07037	39.2
94.07385	2.5
95.04955	22.4
95.08602	61.2
97.02872	5.3
97.06528	13.2
97.10167	7.7
97.15090	1.3
98.98432	2.2
99.04449	3.9
99.08080	3.7
103.05482	1.4
104.10708	2.3
104.81674	1.4
105.07024	31.1
107.04986	7.5
107.08581	22.7
109.06507	6.0
109.10155	18.1
111.04459	6.9
111.08086	12.9
113.06004	3.8
115.05490	1.7
117.07005	5.5
119.08569	37.7
121.06462	2.5
121.10128	17.5
123.08054	4.9
123.11726	7.4
124.99985	13.6
125.05968	4.4
125.09638	3.9
127.03908	3.5
129.07024	11.7
131.08575	11.5
133.06453	4.0
133.10124	27.8
135.08066	2.8
135.11682	13.4
137.05966	2.9
137.09607	5.5
137.13213	4.4
139.03900	5.2
139.11214	2.5
142.07787	2.8
143.08484	2.7
145.02826	1.7
145.10091	7.2
147.04430	4.0
147.08031	4.6
147.11690	21.4
149.09589	6.7
149.13260	5.3
151.07552	3.1
151.11121	3.4
153.01860	2.8
153.05510	3.8
155.08623	1.7
157.10104	13.9
159.11694	5.8
161.09683	1.9
161.13237	16.9
163.11206	4.3
165.09065	2.1
165.12730	4.4
167.07083	2.6
173.13173	2.0
175.11174	18.9
177.05431	3.5
178.05769	1.8
179.10684	2.3
179.14281	9.7
181.12190	2.0
184.07330	87.3
187.14861	2.5
191.10696	3.1
193.12224	39.0
201.09071	2.2
203.14343	1.7
211.13268	50.3
211.15248	2.6
215.24316	1.7
221.15413	2.1
229.12311	1.7
229.14357	2.7
253.14352	5.9
253.17970	37.7
267.15872	26.3
269.17499	2.7
270.17697	2.5
271.15952	2.5
271.19025	29.3
285.16940	58.0
286.17377	2.4
353.24615	2.0
371.25760	3.9
389.26788	4.6
399.28952	5.0
409.27307	2.3
427.28424	27.7
437.28949	5.5
445.29532	58.3
446.29913	2.6
463.30637	100.0
464.31192	3.4
479.29755	2.8
480.30048	3.3
481.31711	65.9
482.32419	2.3
663.88843	1.6
678.35071	8.4
679.33215	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	678.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.6
54.19421	0.9
55.01860	2.2
55.05513	8.8
57.03435	9.2
60.08143	3.8
61.02916	3.0
65.03929	1.6
66.62357	0.9
67.05501	57.0
68.05841	1.1
69.03423	1.9
69.07064	15.4
69.66114	7.6
70.60752	1.1
71.01358	1.2
71.04989	8.1
71.07342	2.0
73.02915	1.3
79.05489	22.7
81.03410	4.6
81.07051	79.3
82.07352	1.6
83.04971	5.5
83.08606	12.4
85.02884	3.9
85.06546	7.3
86.09702	15.3
91.05475	11.8
93.07040	43.0
95.04942	3.7
95.08605	14.5
97.02899	2.2
97.06525	10.6
97.10136	2.7
98.98449	1.3
99.08082	3.0
104.10683	1.2
105.07027	6.7
107.04981	1.0
107.08588	23.1
109.06490	2.7
109.10141	5.2
111.08068	5.6
113.09635	1.1
117.07010	6.9
119.08576	3.0
121.06539	1.2
121.10130	16.7
123.11708	8.5
124.99991	10.2
131.08545	7.2
133.10118	12.8
135.08087	1.1
135.11684	9.1
147.04427	1.2
147.11681	1.8
149.09601	2.7
149.13240	23.7
151.11169	2.9
157.10164	1.7
159.11659	12.0
169.12267	1.6
177.05490	1.5
177.12708	4.9
183.00002	1.2
184.07327	57.5
187.13293	5.0
193.12227	1.3
195.13844	7.7
213.14767	2.5
214.09615	0.9
243.15881	8.4
265.10709	1.0
269.17471	38.6
270.17984	1.3
285.17105	1.0
287.18484	8.5
321.81808	1.0
369.17075	1.1
437.28970	100.0
438.29199	4.1
445.29541	1.9
449.29095	2.0
463.30505	37.7
464.30713	1.3
479.29984	1.1
480.30228	1.7
481.31516	30.1
482.32019	1.3
625.35040	1.7
678.37189	2.0
679.32874	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	678.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01858	3.5
55.05510	7.2
57.03437	5.8
60.08149	1.1
61.02909	3.0
61.73315	0.7
65.03918	1.8
67.05499	22.9
69.03425	4.8
69.07066	7.0
69.47349	4.6
69.47766	2.2
70.06568	0.9
71.04971	3.0
71.74887	0.7
73.02891	1.7
77.03899	0.8
79.05489	12.7
81.03415	25.0
81.07051	27.7
82.07361	0.9
83.04979	10.5
83.08611	8.6
85.02902	10.3
85.06521	3.8
86.09702	5.0
87.04460	0.9
90.39548	0.8
91.03912	2.1
91.05477	26.1
92.05828	1.3
93.07041	14.9
94.77133	0.8
95.04961	12.1
95.08594	7.0
95.97324	0.8
97.02882	3.1
97.06528	3.2
97.10161	2.3
99.04445	2.3
105.07023	21.7
107.04935	2.7
107.08589	18.6
109.02791	0.8
109.06489	4.5
109.10152	32.7
110.10474	1.0
111.04444	1.8
111.08086	5.1
113.06031	2.0
117.06988	1.6
119.04892	0.9
119.08578	8.7
121.06508	1.1
121.10146	5.7
123.04405	1.6
123.08076	1.8
123.11697	6.9
124.99997	3.3
125.09637	1.7
127.03864	2.1
127.07541	2.2
129.07028	3.7
131.08553	5.0
133.06471	1.1
133.10126	45.9
134.10461	1.1
135.11659	2.2
137.05936	1.0
137.09561	0.9
139.03928	1.6
142.07758	1.5
145.02844	1.3
145.10092	1.5
147.04402	3.4
147.08031	1.3
147.11682	5.6
149.09566	2.4
149.13251	0.9
151.11168	19.9
153.01801	2.2
157.10121	6.0
159.11630	1.2
161.09634	2.1
161.33261	0.8
163.11243	1.5
165.12711	1.5
169.12228	3.4
175.07503	0.7
175.11110	5.7
177.05472	3.7
178.05739	1.3
179.10695	1.2
184.07339	15.5
193.12227	19.4
209.97658	0.8
211.13284	35.6
212.13652	0.8
229.14204	0.9
243.08626	0.8
247.25478	0.7
253.14345	100.0
254.14737	4.1
263.14096	0.8
267.15900	8.7
268.16385	0.9
269.17322	0.8
271.15402	23.2
285.16971	22.2
286.17255	1.2
427.28461	2.1
445.24930	5.4
445.30963	1.2
446.26242	1.0
453.20602	1.3
463.26602	18.1
464.27112	1.8
467.18594	1.5
481.27930	58.3
482.28308	4.4
678.35474	2.0
679.21948	1.5
679.32867	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	678.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.2
56.05020	0.5
57.03424	0.1
58.06618	0.5
59.07389	0.1
60.08158	6.4
63.03434	0.1
67.05485	0.3
69.03400	0.2
69.07088	0.1
70.06575	0.3
70.35127	0.1
70.99213	0.2
70.99532	0.1
71.07368	3.1
73.89635	0.1
79.05488	0.2
81.03398	0.2
81.07037	0.3
83.05002	0.1
83.08610	0.1
85.02890	0.3
86.09698	32.0
91.05458	0.5
93.07017	0.2
95.04977	0.1
95.08593	0.1
97.02869	0.2
98.98454	2.6
104.10732	2.8
104.11411	0.2
105.07013	0.3
107.04898	0.1
107.08587	0.1
109.06494	0.1
119.04901	0.1
119.08554	0.3
121.06511	0.1
121.10168	0.1
123.04450	0.2
124.99995	20.5
127.03954	0.1
129.07028	0.1
131.08586	0.1
133.10138	0.2
135.11708	0.1
139.03900	0.1
143.01059	0.4
145.02817	0.2
147.04390	0.3
147.11661	0.2
153.01822	0.7
154.02202	0.2
157.10033	0.2
163.03932	0.1
171.02893	0.2
177.05495	0.3
184.07324	100.0
185.07628	0.4
192.80823	0.1
193.08655	0.1
193.12193	0.2
193.15948	0.1
211.13406	0.1
241.82248	0.1
301.21594	0.1
370.08792	0.1
438.18832	0.1
439.18958	0.1
450.22446	0.1
468.23633	0.2
660.34943	0.3
678.36096	12.3
679.36267	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77539	0.7
53.03938	2.4
55.01865	0.9
55.05503	14.1
57.03431	7.5
57.07062	3.8
61.02919	19.7
65.03934	3.9
67.05498	78.0
69.03415	4.6
69.07060	16.5
69.42414	7.5
71.04985	3.1
71.08627	1.9
73.02911	6.5
75.04469	1.7
76.23034	0.7
76.68410	0.7
77.03876	0.8
79.05485	44.7
81.03405	1.8
81.07049	93.2
83.04966	2.4
83.08614	8.6
83.32101	0.7
85.02897	23.6
85.06537	3.1
87.04459	0.8
91.03946	20.7
91.05470	25.0
93.06570	0.9
93.07034	60.0
95.04988	4.4
95.08597	74.4
97.02879	9.8
97.06500	4.0
97.10157	4.7
99.04463	2.0
99.08085	2.4
99.88918	0.8
103.05453	0.7
105.07018	20.0
107.08582	46.1
109.06497	2.2
109.10149	38.6
111.08082	2.6
111.11707	1.1
113.09651	1.4
115.03918	1.2
117.07002	8.7
119.08566	15.2
121.10132	37.1
123.08051	2.3
123.11693	20.2
125.09656	2.1
127.03909	8.5
129.06944	1.0
131.08562	22.6
133.10112	16.0
135.08058	0.9
135.11682	30.4
137.09634	1.9
137.13258	7.3
139.11180	2.6
143.08559	1.5
145.04944	8.1
145.10109	17.6
147.11665	13.6
149.09610	1.5
149.13239	23.5
151.11151	1.8
151.14815	3.3
153.12743	1.5
157.10184	0.8
159.11667	14.3
161.13248	12.7
163.06006	15.3
163.14810	16.4
165.12730	2.5
173.13261	18.4
173.14680	1.3
175.14780	4.3
177.12769	3.0
177.16367	5.5
179.14343	1.6
185.26659	0.8
187.14795	9.3
189.16287	1.3
191.14302	2.3
201.16295	4.5
205.15897	2.3
215.18019	1.8
233.22632	2.9
235.16931	0.8
243.21057	37.0
244.21396	1.1
261.22116	100.0
262.22501	2.3
263.23676	1.8
279.23141	5.9
317.24725	2.4
335.25778	35.6
336.26208	1.0
353.26825	40.2
405.26343	0.8
461.28690	1.1
479.30130	2.0
497.31189	8.7
524.61188	0.9
677.34479	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	677.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30032	0.3
55.05497	0.5
57.07064	0.3
67.04086	0.3
67.05515	0.7
69.03422	0.3
69.07076	0.4
69.93003	1.6
79.05487	0.8
81.03400	0.5
81.07044	0.8
91.05478	0.9
93.07025	0.6
95.04975	0.6
95.08611	0.5
102.09129	0.4
105.03391	0.4
107.08585	0.6
109.10155	0.4
117.07060	0.3
121.10194	0.4
145.10136	0.3
149.02371	0.5
159.11737	0.4
161.02974	0.3
185.04289	0.4
193.04907	0.8
203.05278	1.7
239.34187	0.3
256.26407	1.3
259.07864	1.1
305.08157	0.3
333.24820	0.5
347.09631	1.4
349.80316	0.3
365.10529	2.4
393.43698	0.3
421.13235	1.2
515.31848	20.7
516.32098	0.4
607.22473	0.3
677.37109	100.0
678.36938	1.8
705.80780	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.3
53.03927	0.8
54.29099	0.2
54.42394	0.2
55.01863	0.5
55.05497	0.7
55.99483	0.2
57.03428	0.4
63.04483	0.2
65.03918	0.3
67.05493	1.9
69.03407	1.0
69.07050	1.0
70.06567	0.3
71.04974	0.4
71.60461	0.4
71.60843	0.3
79.01854	2.4
79.05483	0.6
81.03410	2.3
81.07059	1.6
81.53828	0.2
83.04963	1.0
83.08598	0.7
85.02913	0.5
85.06527	0.4
86.09736	0.3
91.05449	0.7
93.07040	1.1
95.04971	0.7
95.08601	2.8
97.02886	6.9
97.06561	0.3
97.10132	0.3
99.04435	0.4
99.08095	0.3
105.07018	1.3
107.01318	1.7
107.04949	0.5
107.08591	1.7
107.45676	0.2
109.02876	4.2
109.06490	1.1
109.10147	8.1
111.08036	0.3
117.03378	0.3
119.04955	0.4
119.08584	2.9
121.10147	1.0
123.00849	0.3
123.04425	1.2
123.08072	1.2
123.11680	0.8
125.02350	3.5
125.09647	0.2
127.03912	8.7
131.04958	0.3
133.10110	2.1
135.04425	0.3
135.11684	7.3
137.05969	0.6
137.09586	1.1
139.03923	1.1
141.09258	0.2
143.03387	5.7
145.02837	0.6
147.04425	1.3
147.11665	0.3
149.06017	0.3
149.13280	0.5
151.03854	0.6
151.11180	0.8
151.14828	1.1
153.01817	100.0
154.02115	1.2
163.03853	0.7
163.07527	0.3
165.05455	0.3
167.07089	0.4
171.02875	18.8
175.14832	3.5
177.05426	1.9
184.07301	0.3
191.06961	0.3
193.15865	4.3
207.03209	0.3
211.16916	6.8
212.05576	0.5
237.03923	0.2
271.06097	0.4
279.04935	0.9
280.33920	0.2
297.06052	6.3
304.01895	0.3
449.07498	0.3
467.08127	3.7
533.15674	0.2
620.12177	0.3
628.70441	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.2
51.02384	0.2
53.03943	0.6
53.66030	0.2
55.01869	0.5
57.02736	0.2
57.03424	0.3
61.02916	0.2
69.03417	2.4
70.06585	0.2
70.07764	0.8
71.04996	0.2
79.01841	2.3
79.05486	0.4
81.03416	4.4
81.07060	0.2
85.02898	4.5
91.05463	0.8
93.07054	0.3
94.04193	0.7
95.04959	1.3
95.08606	0.2
97.02888	3.1
99.04443	0.3
103.05449	1.7
103.89130	0.2
105.07014	0.8
107.01308	1.4
107.04945	0.6
109.02872	4.1
109.06489	0.2
111.04437	0.8
115.05450	0.5
117.07011	0.4
118.98187	0.2
119.04941	0.3
121.06503	0.9
122.03631	1.8
123.04433	1.4
125.02341	3.4
125.41056	0.2
127.02963	0.4
127.03912	7.9
128.06229	0.4
129.06979	0.5
131.04921	2.0
131.08513	0.2
133.06477	4.5
135.04420	1.4
135.08046	1.3
137.05968	31.6
137.24303	0.2
138.06342	0.5
139.03891	2.9
141.07010	0.3
143.03394	5.0
143.08585	0.4
145.04974	0.7
145.06447	1.3
147.04398	0.5
147.07999	0.4
149.05954	0.5
151.03954	0.2
151.07536	2.5
153.01817	100.0
154.02155	1.0
157.06551	0.8
159.08034	0.4
160.05241	0.3
161.05977	1.6
163.03896	1.9
163.05132	0.3
163.07523	7.2
165.05496	0.7
165.09085	0.3
167.07103	0.3
169.06413	0.4
171.02870	11.1
171.08043	0.6
172.03262	0.2
174.06772	0.5
175.07498	2.0
177.05467	0.6
177.09071	0.5
179.03407	0.3
179.07028	0.3
181.01329	0.2
181.08594	2.6
187.07487	0.9
188.08235	0.2
189.09116	1.4
191.03349	0.2
195.02907	0.3
201.09103	0.5
203.06970	0.4
203.08943	0.3
203.10608	1.3
205.04916	0.3
207.10120	0.5
210.37082	0.2
213.03928	0.3
219.10190	0.6
225.11201	1.0
227.06824	0.2
229.08583	0.7
235.11119	0.5
241.04861	0.2
247.09639	0.4
255.04872	0.4
258.00891	0.2
263.10605	0.4
267.21454	0.2
271.06146	0.2
273.07635	0.2
279.04874	0.8
283.05896	0.3
289.07001	0.3
295.13239	3.3
297.06006	3.1
297.11032	0.2
301.07123	0.3
311.09125	0.2
313.07184	0.2
313.11398	0.3
315.07080	15.9
316.07224	0.3
323.12781	0.7
325.10480	0.6
325.14227	0.4
327.09055	0.3
327.15878	5.0
328.16348	0.2
335.12704	0.2
343.11798	1.4
345.16794	0.3
351.15900	1.4
353.13855	0.2
369.13028	0.5
369.16965	0.7
373.13745	0.5
387.14331	1.9
393.16864	0.4
395.14844	0.2
411.18039	0.4
417.17368	0.2
435.17957	0.6
453.18893	0.6
480.09109	0.2
498.54025	0.2
507.16345	0.5
677.22711	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09578	0.2
53.03935	0.6
55.01861	0.5
57.03421	0.5
68.32697	0.3
68.99806	0.3
69.03432	2.3
70.06566	0.3
70.73886	0.5
70.74260	0.6
71.04974	0.4
79.01855	2.2
79.05489	0.7
81.03412	4.8
81.07037	0.4
84.96616	0.2
85.02900	4.5
88.43740	0.3
91.05465	1.0
93.07053	0.5
94.04166	0.6
95.04951	1.1
97.02888	2.8
97.06506	0.2
98.21423	0.3
99.04446	0.7
100.30619	0.2
103.05472	1.4
103.06045	0.2
105.07025	1.1
107.01309	1.4
107.04910	0.6
109.02878	4.4
109.06485	0.3
111.04437	0.7
115.05417	0.3
117.07025	0.3
119.04911	0.9
121.06508	1.0
122.03654	1.7
123.04417	2.4
123.08029	0.3
125.02341	3.0
127.03917	7.9
128.06204	0.4
129.06993	0.4
131.04910	2.4
133.06476	4.0
135.04388	1.6
135.08054	1.3
137.05969	28.5
138.06303	0.5
139.03908	1.6
141.07010	0.4
143.03394	4.8
143.08640	0.5
145.04982	0.5
145.06448	1.0
147.04395	2.2
147.08044	0.3
149.06032	0.7
151.03879	2.4
151.07538	2.6
153.01819	100.0
154.02158	2.2
157.06572	0.5
161.06027	1.2
163.03867	1.4
163.07530	7.1
164.08067	0.3
165.05476	1.0
165.09114	0.4
169.06558	0.3
171.02882	11.8
171.08058	0.5
175.07552	1.3
177.05450	1.2
177.09163	0.6
179.03395	0.4
179.07123	0.3
181.08543	1.5
184.05321	0.3
187.07556	0.9
189.05522	0.3
189.09085	1.3
201.09180	0.6
203.07007	0.4
203.10709	1.5
204.10187	0.8
207.10161	0.5
219.10176	3.6
221.11839	0.3
229.08614	0.6
235.11192	0.3
237.03728	0.4
247.09761	0.3
263.10727	0.5
271.05869	0.2
275.17432	0.3
279.04999	0.9
283.06055	0.5
291.09958	0.3
295.13287	3.5
297.06033	3.1
301.07147	0.4
315.07068	15.4
316.07422	0.6
320.24814	0.3
323.12744	0.4
327.15903	4.4
343.11874	0.7
345.16986	0.4
351.16013	1.2
355.11185	0.3
369.17032	0.8
371.14908	1.5
387.14377	0.8
411.17838	0.4
435.17984	0.5
453.19025	0.4
492.50647	0.3
507.16357	0.4
677.24701	0.3
677.38806	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.1
51.02399	0.3
53.00310	0.1
53.03948	0.3
53.63192	0.1
55.01873	0.2
55.05502	0.6
57.03432	0.1
57.07067	0.2
59.05007	0.1
67.05156	0.1
67.05499	1.3
69.03419	1.0
69.07061	1.0
69.68388	0.3
69.68813	0.3
71.04993	0.4
79.01391	0.2
79.01847	2.9
79.05496	0.3
81.03415	2.2
81.07053	1.6
83.04971	0.7
83.08617	0.6
85.02905	0.2
85.06527	0.3
91.05505	0.3
93.07034	0.7
95.04937	0.1
95.08607	2.9
97.02888	7.0
97.06573	0.2
97.10170	0.2
99.04449	0.3
99.08096	0.3
105.07032	0.6
107.01306	1.7
107.08588	1.9
109.02112	0.1
109.02872	3.6
109.06517	0.7
109.10149	8.9
110.10442	0.1
111.08070	0.3
113.09586	0.1
117.07034	0.1
119.08573	3.6
121.10129	1.1
123.00787	0.1
123.04424	0.3
123.08078	1.0
123.11683	0.8
125.02338	3.7
125.09605	0.2
127.03912	8.3
128.04231	0.1
133.10115	1.9
135.00719	0.1
135.04437	0.1
135.11685	9.4
136.12035	0.1
137.09601	1.4
138.10333	0.1
139.03911	0.2
139.11183	0.2
143.03389	5.9
145.04956	0.1
147.04451	0.1
147.11676	0.2
149.13269	0.5
151.11165	0.8
151.14783	0.8
153.01820	100.0
153.12682	0.2
154.02173	1.1
163.03831	0.1
165.16385	0.2
171.02878	17.3
172.03188	0.1
175.14818	3.9
177.05463	0.2
189.03928	0.1
191.03345	0.1
193.15865	6.2
194.16162	0.1
205.04907	0.1
211.16924	5.3
212.05594	0.1
213.03888	0.2
233.04448	0.2
235.06151	0.1
237.03969	0.2
261.03940	0.3
279.04956	1.2
297.06039	6.8
298.06250	0.1
315.06897	0.3
327.25244	0.2
337.19601	0.1
345.26123	0.1
408.56400	0.1
449.06781	0.1
467.08188	5.1
517.66089	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	676.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.4
57.07074	30.3
59.05001	0.6
67.05502	1.3
69.03421	0.7
69.07069	5.0
69.64609	0.9
69.65015	2.0
71.05015	0.5
71.08628	44.4
73.02912	1.2
73.06555	9.9
79.05482	1.3
81.03407	0.7
81.07047	1.6
83.08596	1.0
85.02892	0.5
87.04466	10.5
89.06027	100.0
90.06359	0.6
91.05487	0.8
91.07602	0.4
93.07023	1.1
95.04985	0.9
95.08617	1.1
97.02905	0.5
98.20750	0.9
105.07060	0.7
107.04989	0.8
107.07063	5.1
107.08595	0.6
109.10136	0.6
110.84961	0.4
111.11721	0.5
113.06011	0.4
113.13274	4.0
117.09119	9.5
117.09890	0.8
119.08578	0.4
123.11703	0.5
130.08617	4.0
131.07025	3.4
131.08488	0.4
133.08597	50.6
135.10197	1.4
151.09564	0.8
157.10162	0.6
157.15871	7.0
159.10292	0.4
159.91586	0.4
161.11751	3.1
175.09698	2.4
177.11214	24.3
198.18561	2.3
201.18488	14.5
205.14372	0.6
213.18137	0.4
219.12193	0.9
221.13834	3.7
223.15353	1.2
239.14923	1.5
245.21112	8.8
265.16437	0.8
269.17593	0.5
283.17581	2.6
309.18884	0.4
327.20166	1.4
353.21603	0.8
366.30585	0.5
397.24335	0.6
415.25357	0.5
479.30154	1.5
503.30737	0.6
547.33264	1.3
659.45697	5.3
676.48462	4.3
677.35089	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.2
51.02390	0.3
53.00057	0.1
53.00303	0.2
53.03944	0.3
55.01878	0.2
55.05507	0.5
57.03441	0.1
57.07065	0.3
59.04993	0.2
65.03937	0.1
67.05499	1.5
69.03418	1.1
69.07059	1.1
69.24441	0.1
69.32417	0.5
69.32851	0.3
71.04984	0.4
71.08625	0.1
74.20942	0.1
79.01844	2.6
79.05496	0.2
81.03407	2.4
81.07050	1.6
83.04969	0.8
83.08606	0.6
85.02916	0.2
85.06541	0.3
86.09715	0.1
87.00816	0.1
87.08067	0.1
91.05476	0.3
93.07033	0.8
95.04961	0.2
95.08598	2.7
97.02882	6.9
97.06534	0.2
97.10162	0.2
98.03214	0.1
99.04409	0.5
99.08082	0.3
105.07023	0.6
107.01305	1.5
107.08578	1.9
109.02104	0.2
109.02869	4.0
109.06524	0.8
109.10144	8.6
110.03250	0.1
110.10493	0.2
111.08090	0.3
111.27799	0.1
113.09615	0.1
119.08567	3.3
121.10146	1.2
123.04421	0.4
123.08048	1.1
123.11724	0.6
125.02334	3.8
125.05941	0.1
125.09661	0.1
127.03903	8.6
131.04967	0.1
133.10110	2.2
135.00742	0.2
135.04362	0.1
135.11676	9.1
136.12030	0.2
137.05963	0.1
137.09599	1.5
138.10315	0.1
139.03880	0.3
139.11250	0.1
143.03381	5.8
145.04976	0.1
147.04384	0.2
147.11694	0.1
149.13232	0.4
151.03952	0.2
151.11163	0.7
151.14761	0.9
153.01810	100.0
153.12692	0.2
154.02133	1.7
155.02380	0.1
161.06001	0.1
163.03922	0.1
165.12700	0.1
165.16371	0.4
167.07094	0.2
171.02869	17.6
172.03206	0.3
175.14799	4.0
177.05440	0.2
179.03358	0.1
181.01208	0.1
191.03416	0.2
193.15865	5.9
194.16177	0.2
205.04901	0.1
211.16908	4.9
212.05527	0.2
212.17146	0.1
213.03889	0.3
233.04425	0.3
237.03920	0.2
261.03937	0.4
279.04980	1.2
297.06012	6.7
298.06284	0.2
315.07031	0.4
327.25253	0.4
350.04446	0.1
369.03064	0.1
449.06815	0.2
467.08167	4.3
468.08511	0.1
518.30640	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	676.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22523	0.7
53.03930	2.6
55.01861	2.4
55.05509	11.2
57.03434	10.8
57.07055	0.8
61.02910	3.1
65.03935	1.4
67.05499	30.1
68.37080	0.7
69.03411	2.6
69.07063	10.8
70.91883	1.2
70.92226	1.5
71.04982	4.2
73.02901	1.7
75.37923	0.7
79.05486	23.5
81.03410	34.3
81.07050	42.4
83.04976	9.4
83.08609	19.6
83.91033	0.8
85.02900	15.2
85.06528	2.4
87.28639	0.7
91.03957	1.5
91.05478	24.7
93.07039	27.2
93.17941	0.9
95.04964	15.1
95.08605	9.4
97.02879	3.5
97.06525	4.9
97.10158	2.4
99.08064	1.5
105.07025	14.0
107.04944	2.9
107.08586	16.1
109.06525	2.7
109.10110	1.9
111.04469	1.2
111.08076	8.4
113.06004	1.6
117.07017	4.1
119.08573	8.9
121.06467	1.6
121.10121	9.6
123.08105	1.2
123.11673	2.7
125.09597	1.3
129.07025	5.2
131.08556	8.2
131.42177	0.8
133.06471	1.3
133.10109	12.4
135.08020	0.9
135.11670	4.3
137.09607	0.9
137.13222	0.8
145.10121	0.9
147.08060	1.9
147.11691	9.2
149.09590	3.7
149.13237	8.0
151.11035	0.9
157.10144	9.4
159.11682	3.4
163.11118	0.8
165.12727	3.1
175.11176	7.3
177.12747	1.0
193.12234	21.8
195.13817	6.3
211.13272	30.2
213.14844	0.7
242.27539	0.9
267.15863	12.7
269.17456	39.3
278.35049	0.8
285.16956	36.9
427.07095	0.9
443.27957	1.8
461.28912	20.7
462.29636	1.1
479.30011	100.0
480.30319	4.8
623.34680	1.4
676.26477	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.2
55.01870	1.5
55.05260	0.7
55.05509	10.2
57.03432	12.4
57.07060	0.8
59.04984	0.9
61.02908	3.1
65.03931	1.3
67.05501	33.9
68.24869	0.5
69.03417	2.2
69.07065	10.8
70.66734	1.7
70.67107	0.8
70.87905	0.5
71.04994	4.1
79.05486	23.8
81.03415	34.8
81.07053	42.6
83.04488	0.6
83.04977	9.3
83.08138	1.2
83.08615	19.6
85.02898	14.4
85.06519	1.7
91.03941	1.3
91.05476	21.5
92.05754	0.7
93.07038	29.3
94.07336	0.8
95.04963	16.5
95.08599	12.3
96.08981	0.6
97.02892	3.6
97.06529	7.4
97.10153	2.3
99.08079	1.2
100.03902	0.6
105.07025	12.5
107.04976	3.7
107.08587	16.9
109.06512	3.5
109.10152	2.4
111.04467	1.8
111.08072	10.0
113.05994	1.7
115.05473	0.6
117.07018	4.1
119.08573	10.5
119.09362	1.0
121.06480	1.6
121.09299	1.0
121.10138	12.9
121.11014	0.6
123.08087	1.6
123.11686	2.1
125.09615	1.0
127.07531	0.6
129.06992	6.5
131.08556	8.6
133.06505	1.6
133.10123	10.8
135.08028	0.8
135.11681	3.4
137.09642	0.7
142.07779	1.7
145.10127	0.7
147.08040	1.4
147.11690	9.2
149.09624	4.5
149.13254	13.0
149.14372	1.1
151.11163	0.8
157.10124	7.9
159.11687	5.4
165.12735	1.7
175.11176	9.1
177.12761	2.5
193.12231	23.8
195.13811	5.8
211.13264	30.1
212.13600	0.7
213.14851	0.8
249.15024	0.6
267.15906	18.9
269.17459	61.0
270.17868	1.4
285.16937	31.8
298.89966	0.5
416.36447	0.5
435.27640	0.9
443.28098	1.5
461.29001	39.8
462.23441	0.6
462.29059	2.6
479.30032	100.0
480.30334	5.2
541.43280	0.7
603.70679	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43294	4.3
53.03938	8.0
55.01870	7.2
55.05512	23.5
57.03414	5.0
67.05495	37.6
69.03430	18.8
69.07060	21.5
71.04999	4.8
71.61024	5.9
79.05501	36.7
81.03400	13.5
81.07056	34.4
83.04974	9.7
83.08607	12.9
85.10148	3.7
87.01110	3.4
88.02036	3.7
88.47736	3.9
90.32936	3.4
91.05466	55.8
93.07044	39.8
95.04952	14.0
95.08604	39.7
97.10128	4.1
102.22562	4.3
103.05471	4.8
105.07019	55.9
107.04967	11.1
107.08572	21.6
109.06503	7.7
109.10143	6.4
115.05424	8.2
117.07024	23.4
119.08559	39.0
121.06506	9.5
121.10133	16.0
128.06213	12.5
129.06985	32.6
131.04919	5.1
131.08553	24.6
133.06483	11.3
133.10094	22.2
135.07982	5.4
135.11665	10.2
141.06975	18.3
142.07779	7.2
143.08557	31.9
145.06474	7.4
145.10110	33.9
147.08040	7.7
147.11661	15.3
149.09540	5.2
149.13303	5.2
153.06981	9.4
154.07730	5.0
155.08559	32.0
156.09384	5.1
157.06532	5.7
157.10133	31.1
159.08049	11.5
159.11681	13.6
161.09566	4.6
165.06966	23.8
166.07753	7.5
167.08591	32.5
168.09311	7.0
169.10118	27.0
170.10745	4.8
171.08032	12.3
171.11662	16.5
173.09605	14.0
173.13264	9.1
175.11157	12.1
178.07770	9.4
179.08592	21.3
180.09291	15.3
181.06537	6.0
181.10141	29.5
182.10927	5.1
183.08096	10.5
183.11705	23.4
185.09630	18.1
185.13222	6.4
187.11153	7.5
191.08508	8.8
192.09364	11.9
193.10100	25.9
193.12015	6.3
194.07257	4.9
194.10851	9.4
195.08063	15.3
195.11642	26.1
196.08846	6.2
197.09579	17.1
197.13260	16.5
199.11206	10.7
199.14795	8.3
201.12596	5.1
203.08597	4.8
204.09315	7.5
205.10168	19.5
206.10846	8.7
207.07983	5.7
207.11688	25.5
208.08871	9.4
209.09567	17.5
209.13243	17.0
210.10344	9.0
211.11171	25.4
211.14795	12.5
212.11873	5.1
213.09047	4.1
213.12781	9.0
215.08630	9.9
215.10623	6.0
217.10172	9.7
218.07161	5.0
218.10968	6.2
219.08107	9.9
219.11667	14.4
219.13538	4.2
220.08899	5.2
220.12485	15.9
221.09608	12.6
221.13235	16.5
222.10416	11.2
223.11220	41.9
223.14775	13.6
224.11984	8.2
225.09190	8.1
225.12744	19.3
225.16321	9.1
227.14369	7.8
229.10135	5.7
230.10851	12.3
231.11674	8.3
232.08887	7.0
232.12329	6.7
233.09621	32.9
233.13257	10.6
234.10330	11.2
235.11125	22.8
235.14818	16.6
236.11934	7.3
237.09103	6.7
237.12730	17.4
237.16434	7.2
239.10657	12.3
239.14229	9.3
241.12259	5.8
245.13235	13.8
247.11206	13.5
247.14867	11.6
248.11935	28.6
249.12672	23.0
250.13377	6.3
251.10617	9.2
251.14255	14.0
252.11421	6.3
253.12282	12.1
253.15898	16.8
255.13812	5.8
255.16965	4.6
259.11157	10.6
261.09131	23.4
261.12790	12.9
261.16309	6.1
262.09769	6.5
263.10901	7.1
263.14310	60.4
263.17087	6.1
263.18076	4.2
265.12198	9.6
265.15787	16.1
267.13602	9.2
273.12668	14.2
275.10651	8.9
275.14236	7.1
276.11444	28.4
277.12296	8.8
277.15866	6.7
277.19516	5.0
279.13742	13.2
279.17123	4.0
281.15341	19.0
285.12558	4.2
289.12280	4.7
289.16141	5.6
289.19473	5.4
291.13766	100.0
292.14246	6.3
293.15323	17.2
305.15604	4.2
305.18771	8.3
307.20584	13.6
309.14877	70.1
311.25543	5.5
319.20428	5.3
321.22040	22.7
327.15848	9.3
329.15619	4.4
331.20544	13.4
347.20087	7.9
349.21561	50.6
365.21255	6.0
367.22681	18.8
503.37396	34.3
579.31726	4.1
629.36139	7.4
639.33417	9.9
657.35437	28.5
675.36639	73.3
676.36560	5.9
680.64923	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	674.374
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25542	0.7
55.01875	4.6
55.05270	0.8
55.05508	12.1
57.03430	4.1
57.07076	1.4
59.04956	0.6
61.02923	4.9
65.03923	1.6
67.05503	24.0
69.03424	3.2
69.07064	7.0
69.64541	4.8
70.48669	0.6
71.04976	2.3
73.02926	1.5
76.56336	0.6
79.05492	21.1
81.03066	0.6
81.03419	7.4
81.06578	1.3
81.07053	26.1
83.01343	1.0
83.04977	7.1
83.08611	9.3
85.02898	5.6
85.06552	1.7
86.09708	0.7
91.03945	1.9
91.05476	18.8
93.06464	1.3
93.07038	21.3
95.04958	11.1
95.08605	10.6
97.02894	3.8
97.06501	4.1
97.10174	9.2
98.21392	0.8
99.04444	1.1
99.08076	1.5
105.06384	1.1
105.07032	14.0
107.04941	7.1
107.08590	17.5
109.06498	3.7
109.10149	10.4
111.04443	5.2
111.08086	4.1
115.05421	1.1
117.06996	7.4
119.04951	1.4
119.08565	8.1
121.06488	5.4
121.10142	7.6
123.04385	3.2
123.08049	2.6
123.11684	2.1
125.05965	1.0
125.09621	8.2
127.03956	0.8
128.06230	0.7
128.87244	0.5
129.06993	3.9
131.04924	1.1
131.08565	7.4
133.06512	4.0
133.10123	12.6
135.04376	1.0
135.08022	2.6
135.11691	6.2
137.05957	1.7
137.09589	1.8
139.03909	0.8
139.07550	0.8
141.06955	1.7
143.08548	2.8
145.06459	2.4
145.10126	7.9
147.04327	1.6
147.08040	3.6
147.11702	3.1
149.05998	1.4
149.09624	2.5
149.13234	3.5
151.03894	1.4
151.11171	4.6
153.01790	2.0
153.09088	2.1
153.12784	3.7
155.08566	2.0
157.06511	1.1
157.10146	3.1
159.08051	2.6
159.11661	2.9
161.05965	2.0
161.09616	2.6
161.13330	0.8
163.11174	8.8
164.11626	0.6
165.05464	0.7
167.07140	0.9
167.08571	1.2
169.10086	2.2
171.07944	1.0
171.11681	2.2
173.04289	0.8
173.09593	3.9
173.13278	1.0
175.11163	1.9
175.14735	0.8
177.05510	0.7
177.12743	1.1
179.10762	0.8
181.10117	1.3
181.12274	2.8
183.11752	0.8
184.07243	1.1
185.09625	1.5
185.13260	0.9
187.07452	1.0
187.11163	0.7
187.14801	1.1
189.09355	1.0
189.11211	4.8
189.12711	1.4
191.10669	2.7
193.08629	1.2
193.12170	3.0
195.11719	1.3
195.13728	1.1
197.13264	2.4
199.11176	1.2
203.14261	0.7
205.12187	0.9
205.15874	1.7
207.13742	1.5
209.11636	1.2
209.13464	0.9
211.11200	0.7
213.12686	1.5
215.14342	2.1
217.12270	0.9
219.13806	0.9
227.12668	4.5
231.13744	1.5
233.15321	3.8
250.45618	0.6
257.15323	0.7
259.13348	1.0
267.15979	0.9
269.17493	6.4
283.15341	7.6
287.16367	0.8
321.22110	0.9
329.25339	0.6
339.23267	2.8
349.21567	2.0
357.24225	3.4
367.22644	9.3
375.25201	0.7
385.23721	20.7
386.24063	1.0
403.24805	5.7
431.27982	1.5
441.26453	1.7
459.27396	100.0
460.27606	3.3
477.28458	94.6
478.28632	3.6
495.29541	5.8
674.37976	1.5
675.36761	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.8
55.01871	3.4
55.05509	8.3
57.03432	7.3
57.07077	2.4
58.06575	0.5
59.04964	1.3
61.02918	3.0
65.03934	1.5
67.05501	22.4
69.03396	0.9
69.07068	7.9
70.06260	0.3
70.06581	4.1
71.00220	0.9
71.01323	0.5
71.04987	3.3
71.08592	0.7
73.02895	0.7
74.40930	0.3
75.08807	0.3
79.05488	15.5
81.02982	0.4
81.03415	5.6
81.07051	30.2
82.07324	0.4
83.01347	3.1
83.04977	5.8
83.08615	8.6
84.08122	0.3
85.02898	3.7
85.06547	2.1
88.07627	3.5
91.03920	1.3
91.05480	9.4
93.07037	27.4
94.54301	0.3
95.04965	4.8
95.08601	8.7
97.02889	2.5
97.06524	5.3
97.10126	1.2
99.04407	1.2
99.08047	1.4
102.09166	2.4
103.05499	0.5
103.45026	0.4
105.06393	0.4
105.07027	6.5
107.04948	3.2
107.08591	14.9
108.08881	0.4
109.02851	0.3
109.05901	0.3
109.06510	3.6
109.10145	1.9
111.04459	1.5
111.07476	0.3
111.08078	3.4
111.11686	0.3
113.09579	0.4
117.07011	6.3
119.07806	0.4
119.08573	4.1
121.06521	1.9
121.09332	0.5
121.10141	9.3
123.04408	0.5
123.07272	0.4
123.08063	3.8
123.11665	1.0
125.05948	0.8
125.09611	0.6
127.03903	0.8
127.07526	0.6
129.06993	0.8
130.07771	0.5
131.08542	4.2
132.10185	0.3
133.10127	4.0
135.07997	1.3
135.11682	8.0
137.09573	0.7
139.03868	1.0
139.11157	0.7
143.08531	0.4
145.06465	0.5
145.09045	0.5
145.10120	7.5
147.08052	0.7
147.11659	0.4
149.02339	13.0
149.03418	0.7
149.09583	0.9
149.13246	12.4
151.11043	0.6
153.12721	1.4
155.08470	1.1
159.11691	4.8
163.11166	11.5
173.09569	1.2
177.12762	2.2
177.14175	0.3
181.12222	1.4
191.10638	1.2
193.04948	6.7
195.13818	4.7
209.11694	2.6
211.99380	0.3
213.14885	0.8
216.52859	0.3
227.12743	2.1
228.23216	9.1
229.23540	0.3
237.07565	1.2
251.16446	0.6
265.14285	1.0
267.15897	0.6
269.17459	49.8
270.17795	1.0
272.25848	1.4
283.15381	36.2
284.15799	0.6
297.03720	0.3
341.06430	1.0
359.07858	0.3
385.09195	1.9
391.40863	0.3
393.77756	0.3
403.10239	2.2
429.11810	4.5
459.27289	3.1
473.14188	2.3
477.28452	100.0
478.28748	3.2
492.17188	0.3
607.07355	0.5
621.32532	0.4
674.35266	20.4
675.35620	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61288	0.4
53.03943	1.8
55.01869	3.7
55.05257	0.7
55.05508	11.3
57.03436	11.0
57.07068	1.1
59.04993	1.4
61.02920	4.2
65.03931	1.2
67.05502	24.4
69.03423	3.0
69.06712	0.8
69.07063	7.3
70.06571	1.0
70.56428	0.8
70.56821	0.8
71.01345	0.6
71.04984	3.3
71.08630	0.6
73.02905	1.8
79.05491	20.9
81.03415	32.7
81.07053	31.5
83.01344	3.0
83.04980	8.1
83.08614	14.5
85.02901	9.7
85.06532	2.1
86.20867	0.4
88.07629	0.7
91.03950	1.6
91.05472	15.3
93.07040	28.1
94.24355	0.4
95.04964	13.1
95.08597	10.2
96.52088	0.4
97.02880	4.0
97.06532	5.7
97.10154	2.3
99.04449	1.5
99.08091	1.3
102.09187	0.5
105.07024	10.7
107.04943	5.8
107.08591	14.9
109.02844	0.9
109.06513	5.7
109.10126	1.9
111.04432	1.7
111.08077	5.1
113.06062	0.5
115.05419	0.7
117.07008	6.8
119.08575	9.6
121.06484	3.8
121.10138	9.3
123.04418	0.8
123.08066	5.5
123.11719	2.2
125.05993	1.3
125.09658	1.6
127.03924	1.0
127.07593	0.5
129.06999	4.6
130.07785	0.5
131.04985	0.7
131.08549	8.1
133.06479	1.2
133.10124	7.3
135.08058	2.2
135.11691	7.6
137.09618	1.1
139.07587	0.5
141.06956	0.5
142.54236	0.4
143.08545	0.5
145.06494	1.2
145.10109	8.4
147.08049	2.9
147.11665	4.3
149.02345	2.5
149.09628	2.4
149.13257	4.3
151.11111	0.9
153.12718	1.7
155.08553	1.0
157.10107	4.6
159.08119	0.6
159.11699	3.3
163.06075	0.4
163.11174	11.2
163.20854	0.4
165.12845	0.7
167.14433	0.5
167.62062	0.4
168.05765	0.4
169.10106	0.6
173.09682	1.4
175.11176	4.3
177.12767	1.5
181.12228	1.7
183.08034	0.4
189.11240	0.8
191.10678	1.4
193.04994	1.5
193.12227	10.3
195.13788	4.8
209.11711	2.6
211.13245	5.8
213.14841	0.6
223.13321	0.5
227.12729	2.2
228.23271	1.2
249.14850	1.0
251.16248	0.4
255.13652	0.5
267.15909	35.4
268.16428	1.1
269.17465	27.5
270.17792	0.7
272.25821	0.6
273.14957	1.3
283.15393	39.1
284.15704	0.9
285.16949	6.7
310.82727	0.5
349.21573	0.9
367.22681	2.6
385.23694	3.4
403.24973	0.6
429.11728	0.8
433.25995	3.9
441.26593	1.2
459.27344	17.4
460.27740	0.6
473.14328	0.5
477.28458	100.0
478.28796	4.1
573.31433	0.4
599.37134	0.5
643.74377	0.5
674.34973	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	674.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21978	0.9
55.01871	5.2
55.05513	13.9
56.18080	0.8
57.03438	12.2
57.07066	0.8
59.04995	1.4
61.02933	5.0
65.03932	1.5
67.05501	24.6
69.03423	5.7
69.07067	8.6
71.04976	3.6
71.59846	1.5
73.02891	1.3
79.05488	21.8
80.05825	0.8
81.03413	49.8
81.07052	33.3
83.01353	1.8
83.04980	11.7
83.08614	18.2
85.02898	14.1
85.06535	2.2
91.03934	1.5
91.05473	19.5
93.07042	23.5
94.07379	0.9
95.04958	19.3
95.08601	11.6
97.02882	5.1
97.06521	6.7
97.10178	6.9
99.04451	2.5
105.04457	1.1
105.07024	19.7
107.04950	9.2
107.08594	14.1
108.08898	1.0
109.02866	1.8
109.06525	4.6
109.10154	5.2
110.10429	1.0
111.04426	6.8
111.08057	6.7
113.06007	0.9
115.05479	1.7
117.07002	5.4
119.04966	1.0
119.08582	14.5
121.06491	4.7
121.10143	10.0
121.46882	1.0
123.04415	6.1
123.08041	3.0
123.11665	2.6
125.06006	1.2
125.09628	5.9
127.03908	2.3
129.06990	7.4
131.04912	2.3
131.08580	10.4
133.06471	4.3
133.07333	0.8
133.10127	8.3
135.04422	1.3
135.08067	3.1
135.11699	7.5
137.05940	1.8
137.09610	2.5
139.03876	2.2
141.06915	1.0
142.07814	1.1
143.08612	2.2
145.06465	3.4
145.10109	7.4
147.04396	3.7
147.08043	3.7
147.11665	7.4
149.09598	5.1
149.13298	4.8
151.03880	2.1
151.11098	1.0
153.01825	12.0
153.09068	1.0
153.12735	2.4
154.02132	2.5
155.08525	1.7
157.10106	7.2
159.07957	0.9
159.11665	3.3
161.05971	3.2
161.09598	1.6
163.03882	1.5
163.11200	9.5
165.05389	1.6
165.12750	1.5
167.07039	3.0
169.10147	1.1
171.02878	1.6
171.11760	1.1
173.09625	2.2
175.03891	1.7
175.11125	5.4
177.05499	1.9
177.12749	1.7
180.07903	2.0
181.08577	1.4
181.10080	0.9
181.12218	2.7
184.07361	1.0
189.11264	1.9
191.10678	3.5
193.08624	4.1
193.12239	16.6
195.11958	0.9
195.13783	1.8
197.13289	1.4
209.11601	2.1
211.13234	9.5
227.12753	3.5
233.15439	2.5
249.14780	1.4
255.13539	1.0
267.15894	51.4
269.17499	9.6
273.14917	2.7
283.15366	13.7
285.16977	10.7
303.08447	1.5
305.24692	0.9
306.25125	1.0
315.08508	1.5
339.23306	1.1
343.11691	2.1
349.21634	2.2
350.43665	0.8
351.30273	0.9
367.22678	5.2
369.01163	1.0
373.17084	1.1
385.23669	10.6
403.24835	4.9
421.25604	1.3
429.21152	1.4
431.27252	1.2
433.25797	6.0
441.26080	3.2
445.73047	0.9
459.27402	42.4
477.28458	100.0
478.28674	2.0
495.29504	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	674.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
54.03463	0.5
55.01854	0.4
55.04250	0.4
56.08153	0.3
57.03444	0.4
65.03925	0.3
68.99783	0.8
69.03422	1.6
70.06584	100.0
71.06940	0.4
71.60129	0.6
71.60473	0.4
72.19634	0.3
73.02904	0.5
75.48616	0.3
77.03904	0.4
81.03417	1.4
85.02898	3.6
89.03922	0.5
91.05502	0.4
93.03391	0.4
95.04994	0.5
97.02895	2.2
103.05482	0.5
104.28333	0.3
107.04967	0.9
109.02889	0.5
109.06550	0.9
111.04479	0.9
117.03436	0.5
119.04944	1.2
123.04418	7.8
127.03897	1.8
131.04930	0.3
133.06551	0.4
135.04404	18.0
136.04802	0.5
137.02379	0.4
137.05960	4.8
138.09128	0.4
139.03897	5.6
140.07106	0.4
143.01913	0.5
145.04973	1.2
147.04439	1.2
149.05981	0.4
151.03857	2.1
153.01808	0.8
153.05476	1.2
159.04431	0.7
161.02994	0.9
161.05788	1.6
163.03891	24.3
164.04655	0.9
165.05463	14.8
165.06854	0.8
165.51845	0.3
170.06088	0.9
173.06026	0.6
175.03922	0.7
176.07141	0.5
177.05415	2.5
179.03383	0.3
183.04935	0.5
185.02989	0.5
186.04582	0.5
187.03873	3.0
187.07440	0.4
189.05484	1.3
197.06129	0.4
201.05537	1.3
203.03867	0.8
204.94475	0.3
205.05019	1.4
211.07588	0.4
213.05606	0.5
215.07092	0.5
217.05064	0.7
219.06883	0.4
221.05066	0.7
223.07550	0.3
227.07121	0.4
229.04849	2.0
231.07059	0.4
239.07123	0.8
241.04951	0.5
242.08267	1.1
243.06609	1.0
245.05035	2.4
251.08862	2.3
251.58862	0.6
253.08447	0.4
255.06723	0.6
257.08301	0.5
259.06213	1.0
263.06558	0.4
267.06705	1.0
269.08176	0.7
271.03156	0.3
271.05981	4.6
273.08090	2.8
273.58362	0.7
277.03467	0.6
281.07928	0.8
283.05899	1.5
285.07529	9.1
287.09653	0.6
289.06931	0.6
295.06070	2.4
296.06741	0.3
297.07596	2.1
299.09360	0.9
301.07034	2.3
309.07571	1.7
313.07040	4.6
315.08777	1.2
321.10376	1.4
325.07047	3.7
327.08582	4.5
332.11426	1.3
332.61603	0.8
333.10284	0.9
337.07022	0.5
338.10251	0.4
354.10870	1.3
354.61066	0.7
362.09808	0.3
365.09811	0.4
384.14355	8.3
384.18915	0.6
393.09393	0.5
411.10657	0.5
435.10852	0.7
447.10574	2.2
453.11935	1.5
465.11783	3.5
605.16559	1.3
617.16547	5.3
674.22223	32.4
675.22076	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
53.25845	0.2
53.83952	0.2
54.03474	1.0
55.01868	0.3
55.04240	0.4
65.03941	0.5
67.77649	0.2
68.99778	1.0
69.03432	0.4
70.06587	100.0
71.06914	0.4
71.09899	0.5
73.23058	0.2
79.05492	0.6
81.03419	0.8
81.07063	0.3
89.03916	0.5
90.27023	0.2
91.05476	0.7
93.03402	0.4
95.04967	1.0
103.05496	0.5
105.03382	0.3
105.07057	0.3
106.60394	0.2
107.04964	1.6
108.75582	0.2
109.06528	0.6
111.04456	0.4
117.03380	0.4
119.04909	1.3
123.04420	8.3
127.03946	0.2
131.04968	0.5
135.04405	20.9
137.05965	5.1
139.03885	5.6
139.04889	0.4
147.04375	1.6
149.05969	0.4
151.03877	2.0
153.05466	1.1
159.04440	1.0
161.05963	1.2
163.03896	22.9
164.04530	0.7
165.05464	15.1
166.05858	0.3
173.06030	0.8
175.03931	0.6
177.05472	1.8
179.03456	0.4
179.08559	0.3
181.06444	0.3
187.03897	3.4
189.05455	0.7
191.03436	0.5
196.57721	0.2
197.06013	0.3
201.05490	1.1
203.03383	0.5
205.04976	2.0
211.07567	0.7
213.05501	0.5
215.07065	0.8
216.28433	0.2
217.05022	0.5
221.06120	0.2
225.05505	0.4
227.07018	0.4
229.04938	2.6
235.07732	0.3
239.07095	0.9
241.05019	1.0
241.08427	0.2
243.06601	0.9
247.06039	0.4
255.06625	0.8
259.06055	1.0
265.05182	0.2
267.06488	1.2
269.04846	0.2
269.08200	0.6
271.06052	3.6
273.07745	0.6
279.06543	0.4
281.08167	0.7
283.06033	2.0
285.07550	8.6
285.10620	0.4
286.07852	0.2
289.07141	0.7
291.08850	0.5
295.05963	2.5
296.06631	0.4
297.07541	1.7
299.09222	0.4
301.07043	2.3
301.10104	0.2
307.06244	0.3
309.07788	1.2
313.07071	3.8
315.08704	1.3
325.07095	2.9
327.08585	3.6
334.18472	0.2
380.17450	0.2
384.14413	1.9
411.10724	1.1
418.72766	0.2
432.32703	0.2
435.10715	0.7
447.10687	2.7
453.11746	1.0
465.11792	4.2
481.74255	0.3
540.30640	0.3
605.16528	1.6
617.16553	6.6
674.22266	33.4
675.22614	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	674.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
54.03474	0.9
55.01864	0.4
55.04251	0.5
57.93517	0.2
63.58878	0.2
65.03925	0.3
67.05495	0.3
67.27383	0.2
68.05023	0.2
68.99760	0.9
69.03417	0.5
70.06587	100.0
71.06918	0.5
71.58136	0.3
79.05490	0.6
81.03410	1.0
81.07041	0.4
86.43533	0.2
89.03907	0.4
91.05469	0.5
93.03407	0.5
95.04961	0.6
96.08101	0.2
103.05478	0.5
107.04946	1.4
109.02850	0.3
109.06522	0.6
111.04453	0.7
117.03362	0.5
119.04923	1.4
123.04423	7.8
125.02367	0.2
127.03909	0.3
131.04941	0.6
133.06502	0.4
133.14436	0.2
135.04407	21.2
136.04770	0.2
137.02367	0.3
137.05972	4.7
138.09088	0.2
139.03891	5.1
141.06844	0.2
147.04395	1.3
149.05922	0.4
151.03883	1.8
153.01825	0.5
153.05464	1.1
159.04399	0.9
161.05911	0.9
163.03896	25.7
164.04581	0.7
165.05467	14.5
173.06024	0.7
175.03909	0.5
176.07091	0.2
177.05473	2.4
179.03438	0.5
179.07133	0.2
179.08609	0.2
183.08133	0.3
187.03882	3.3
187.07571	0.4
189.01851	0.2
189.05458	1.2
191.03424	0.5
193.01311	0.4
193.04939	0.4
197.06050	0.3
199.07495	0.2
201.05446	0.9
203.03452	0.5
203.07144	0.4
205.04913	2.0
207.08174	0.2
211.07533	0.4
213.05624	0.3
215.07048	0.8
217.04961	0.4
219.06519	0.2
221.00887	0.3
225.05418	0.3
227.07077	0.4
229.04915	2.4
231.06573	0.2
239.07047	0.7
241.05031	0.7
243.06560	0.7
245.04466	0.2
245.96770	0.2
251.07085	0.4
253.08694	0.4
255.06549	0.7
257.08194	0.3
259.05988	1.1
263.07272	0.4
267.06500	1.2
269.08139	0.6
271.06000	3.8
273.07602	0.6
277.03403	0.2
279.06628	0.3
281.08133	0.4
283.06009	2.0
285.07544	7.9
289.07104	1.0
291.08527	0.3
291.80600	0.2
295.06073	2.2
296.06622	0.2
297.07489	1.9
299.09186	1.1
301.07050	2.4
303.01367	0.2
309.07562	1.2
310.10889	0.2
313.07001	4.1
315.08630	1.0
325.07053	3.4
327.08609	3.8
337.07013	0.3
338.10153	0.2
342.13696	0.3
384.14349	5.0
411.10663	1.2
435.10590	0.9
447.10791	2.6
453.11694	0.9
465.11819	3.0
470.45056	0.2
605.16565	1.0
610.64154	0.2
617.16473	5.6
674.22253	29.3
675.23035	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25469	1.6
53.03934	7.7
55.01864	6.4
55.05512	26.1
57.03429	8.0
57.07060	3.0
59.04977	2.9
65.03934	5.7
66.59576	1.5
67.05504	87.9
69.03426	46.4
69.07063	27.2
69.47482	10.6
69.47906	5.4
71.04989	6.7
79.05490	73.3
81.03414	37.6
81.07054	100.0
83.04982	15.1
83.08619	16.8
85.02911	6.2
85.06532	5.0
91.05480	55.0
93.07038	81.1
95.04965	24.3
95.08602	47.9
97.02885	6.9
97.06514	10.8
97.10186	3.6
97.97688	1.7
98.21498	1.9
99.04455	5.0
99.08100	3.6
103.05481	2.3
105.07027	48.0
107.04970	7.5
107.07867	2.7
107.08593	48.3
109.02876	5.4
109.06516	8.4
109.10171	16.2
111.04442	8.0
111.08103	3.6
115.05495	2.6
116.06184	1.6
117.07017	22.0
119.08573	28.3
121.06512	8.1
121.10137	29.9
123.04475	3.1
123.08079	4.9
123.11703	6.7
125.06051	2.4
125.09640	3.7
127.03899	4.3
128.06255	3.8
129.06987	12.3
130.07819	2.2
131.04980	2.1
131.08577	33.3
133.06458	4.8
133.10115	28.4
135.08076	6.8
135.11705	19.3
137.09628	3.9
141.06987	4.9
143.08542	9.9
145.06505	5.0
145.10126	20.8
146.07578	1.7
147.08058	4.8
147.11700	17.8
149.09659	5.5
149.13257	17.2
151.07628	1.9
155.08591	7.9
157.10139	12.8
159.08060	4.8
159.11687	17.7
161.09631	5.4
161.13228	8.5
163.11165	2.1
165.12717	2.5
167.08623	4.2
169.10168	7.2
171.08049	2.5
171.11736	10.9
173.09602	3.6
173.13225	10.8
175.11188	3.9
175.14912	2.6
177.12796	7.8
181.10150	3.6
183.11684	5.9
185.09612	2.7
185.13307	7.1
187.11172	3.4
187.14836	4.2
189.12909	3.9
191.10783	2.0
195.11913	3.6
195.13850	15.9
197.13245	3.4
199.11205	2.8
199.14868	4.4
209.13293	4.4
211.11494	2.1
211.14948	2.6
213.12813	2.5
213.14754	2.8
223.14871	1.9
231.13716	2.0
233.15422	3.0
239.14430	2.5
241.19527	2.5
243.21167	2.1
253.15843	2.2
259.20593	3.7
261.22260	3.5
267.15976	2.7
269.17444	23.1
269.19684	1.9
271.20706	2.4
275.19922	2.0
277.21667	4.8
283.20438	3.5
287.19974	1.9
289.21689	2.3
301.21707	8.1
303.23160	3.4
313.21579	4.2
319.23029	2.4
321.17075	2.2
323.24124	2.1
327.23264	3.4
333.21951	2.0
335.25928	2.3
339.18130	4.7
341.24915	4.7
345.24350	3.6
351.23145	9.8
353.24600	2.6
367.22778	2.0
369.24219	18.6
371.25687	2.0
387.25400	11.4
393.26828	2.2
395.20831	6.1
405.26413	2.9
441.47092	1.9
443.27954	7.2
461.29156	11.3
473.33279	2.2
529.38770	5.3
599.38739	2.8
625.40936	2.1
637.41168	8.7
655.41833	13.4
673.31592	4.0
673.43073	80.4
674.43597	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	673.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.8
55.01863	5.6
55.05508	26.2
56.57022	1.9
57.03441	9.7
57.07072	3.7
65.03937	6.3
67.05503	89.6
69.03427	52.6
69.03806	2.6
69.07059	28.5
69.53774	15.8
71.04990	8.9
77.03938	2.4
79.05492	63.6
79.05958	3.3
81.03413	28.2
81.07052	100.0
83.04980	11.9
83.08610	17.9
85.02891	5.0
85.06538	3.4
91.05473	58.4
93.07038	81.3
95.04958	20.9
95.08603	45.6
97.02913	7.4
97.06532	14.1
97.10181	4.1
98.21462	4.6
99.04451	5.2
99.08090	2.7
105.04531	2.6
105.07020	43.8
107.04962	7.1
107.08591	38.9
109.02892	6.3
109.06539	6.2
109.10156	17.3
111.04447	8.4
111.08096	4.4
114.34960	2.2
115.03967	2.2
115.05542	4.0
117.07014	28.1
119.08575	34.0
119.09354	2.8
121.06516	6.4
121.10122	21.6
121.57650	2.2
123.04459	2.6
123.08080	6.3
123.11748	5.9
125.09638	2.1
127.03917	2.6
128.06227	3.1
129.07001	11.3
131.04968	2.3
131.08574	26.4
131.73138	2.2
133.06516	6.8
133.08661	2.6
133.10135	27.7
135.08086	5.2
135.11681	19.8
137.05942	2.4
141.06981	4.0
142.07806	2.5
143.08556	11.3
145.06497	4.2
145.10112	17.8
147.08034	8.4
147.11647	17.1
149.09651	5.4
149.13261	15.8
151.11169	2.5
155.08589	7.2
157.10172	9.6
159.08089	4.8
159.11681	19.6
161.09674	4.8
161.13295	9.2
163.11221	3.7
165.12817	3.5
167.08525	3.4
169.10185	6.7
171.08124	3.2
171.11774	6.9
173.09596	4.0
173.13344	8.8
175.11246	6.2
177.12851	7.0
181.10117	3.4
183.11757	5.7
185.13286	4.7
187.14897	4.2
191.10832	2.8
195.12053	2.8
195.13771	14.3
197.13237	3.5
199.11201	2.3
209.13338	3.9
213.13013	2.3
213.14880	4.1
219.13960	2.3
223.14972	2.2
223.17378	1.9
226.18217	2.1
235.26154	2.5
237.14977	2.7
259.20691	4.3
261.22437	2.4
269.00076	2.5
269.17441	24.3
269.19730	2.3
277.21625	3.7
283.20670	4.2
301.21521	13.8
315.23456	2.3
319.22723	4.3
323.23721	2.7
335.26111	4.6
339.18250	5.4
341.24969	5.1
345.24423	3.6
351.23325	8.7
369.24200	16.4
371.25711	2.6
375.25812	2.5
387.25381	7.2
395.20633	4.8
405.26669	4.0
443.28052	6.4
461.28839	12.5
529.38757	3.6
569.38898	2.7
587.39215	3.5
606.52740	2.1
637.40594	10.5
655.42041	10.4
673.43195	79.4
674.43109	3.4
696.48737	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	673.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.3
53.03942	5.4
55.01871	6.5
55.05510	21.2
55.32845	2.0
55.59763	1.8
57.03434	7.2
57.07066	4.2
59.04979	2.1
65.03941	4.3
67.05503	80.7
69.03426	36.1
69.07066	31.3
71.04991	6.1
71.51498	3.6
79.05138	1.1
79.05491	61.8
81.03411	31.7
81.07055	100.0
83.05004	10.7
83.08630	17.3
85.02907	5.0
85.06531	4.7
91.04900	2.2
91.05482	57.8
93.07041	80.0
95.04974	21.8
95.08601	44.6
97.02895	5.4
97.06505	9.2
97.10200	5.0
99.04457	4.6
103.03963	1.9
103.05495	2.5
105.07026	43.9
107.04967	7.9
107.08594	42.9
109.02872	5.1
109.06499	10.4
109.10135	14.7
111.04435	9.2
111.08085	6.6
117.07021	23.6
119.08575	27.2
119.09357	2.5
121.06519	7.9
121.10147	25.3
123.08079	6.0
123.11720	6.6
125.09632	3.9
126.41747	1.9
127.03947	5.4
129.06996	9.2
131.08554	30.1
133.06467	4.7
133.10121	25.1
135.08087	5.7
135.11699	17.3
139.07545	2.3
141.07014	5.3
142.07764	3.9
143.08554	10.3
144.09378	2.5
145.06499	3.4
145.10117	18.0
147.08052	3.6
147.11690	19.1
149.09688	5.8
149.13254	14.8
151.07716	2.4
151.11183	2.7
155.08600	5.8
157.10135	10.2
159.08075	3.7
159.11685	20.2
161.09628	3.5
161.13306	7.5
163.11183	4.0
163.14850	2.6
165.12764	3.7
169.10146	6.1
171.11711	8.3
173.09653	4.9
173.13271	11.2
175.11211	4.3
177.12680	9.2
181.10098	4.0
183.11728	4.7
185.09560	2.8
185.13307	3.9
187.14908	4.5
191.92513	2.0
193.12183	2.1
195.13707	12.4
197.13272	2.3
199.14809	3.1
205.15959	1.8
209.13292	2.9
213.12878	2.5
225.79222	2.2
229.12125	2.1
255.21198	2.4
257.15512	2.4
259.20624	5.4
260.25720	2.4
261.22217	2.7
267.15891	4.0
269.17441	23.6
277.21857	5.0
301.21713	7.7
303.23206	3.2
313.21667	3.6
315.23486	2.6
323.23813	3.2
335.25931	4.2
339.18088	6.1
341.24847	3.6
345.24295	3.3
351.23071	9.2
353.24973	3.0
357.23923	2.7
363.25504	2.7
369.24298	16.6
375.25339	2.4
387.25266	9.3
395.20810	3.6
405.26471	4.0
414.95935	2.2
443.27979	6.4
461.28854	10.9
529.38922	4.2
613.41272	2.2
619.39960	2.4
637.41077	8.5
655.41956	14.9
673.43127	77.6
674.43732	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	673.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
54.33859	0.4
55.01854	0.8
55.05508	3.1
57.03432	1.0
57.07066	0.7
58.72218	0.4
59.04972	0.5
62.79897	0.5
65.03918	0.6
67.05167	0.7
67.05496	6.5
69.03423	4.7
69.07058	4.8
71.04981	0.9
71.08659	0.5
71.60825	0.6
79.01829	2.2
79.05484	4.2
81.03410	7.1
81.07050	13.7
83.04963	1.2
83.05760	0.5
83.08609	2.5
85.02892	5.7
85.06528	1.0
91.03917	0.5
91.05474	3.7
93.07035	9.6
95.04943	1.9
95.08598	10.8
97.02873	5.1
97.06499	1.4
97.10172	3.7
99.04456	1.3
105.07030	5.2
107.01312	1.1
107.04950	1.3
107.08583	8.8
109.02863	5.0
109.06521	1.2
109.10142	7.9
111.04367	0.5
111.08061	1.1
111.11714	0.8
117.07041	1.0
119.08560	4.6
121.06480	0.6
121.10120	6.2
123.04426	3.7
123.08051	0.7
123.11700	6.3
125.02341	3.3
125.09599	1.7
127.03916	8.7
129.06953	0.8
131.08556	1.0
133.06471	0.6
133.10112	4.4
135.00853	0.4
135.11662	4.7
137.05977	1.1
137.09587	0.8
137.13246	1.6
139.03896	1.8
139.11142	0.9
143.03401	4.1
145.05014	0.7
145.10132	1.6
147.04401	1.4
147.11688	3.8
149.09593	0.9
149.13249	9.8
151.03885	1.4
151.11140	0.5
151.14859	0.5
153.01816	100.0
153.12682	0.4
154.02148	1.9
157.10049	0.6
157.12289	0.5
159.11694	1.4
161.13248	1.9
163.03938	0.9
163.11206	1.0
163.14772	2.5
165.09065	0.6
165.12799	0.7
167.07072	1.6
171.02881	11.7
171.11613	0.5
173.13289	1.1
175.03903	0.7
175.14848	1.0
177.05472	1.2
177.12759	0.5
177.16379	1.5
179.14233	0.5
181.04961	0.5
187.14857	0.6
189.16367	1.3
191.03305	2.3
191.14276	0.9
193.12262	0.8
193.15891	0.7
195.17436	0.7
203.17944	0.8
205.04672	0.6
207.06616	0.9
240.10257	0.8
259.24197	1.2
267.15906	0.5
269.22528	0.7
275.23782	0.7
277.25238	2.3
277.27936	0.5
279.04803	0.8
287.23819	2.2
293.24774	3.2
297.06058	4.3
305.24725	19.0
306.25232	0.5
315.07071	15.1
316.07407	1.0
323.25760	5.7
324.26105	0.6
369.08990	0.4
404.73846	0.4
439.24646	0.8
459.04553	0.6
459.27469	1.3
461.27692	0.6
477.28244	1.0
619.30841	0.6
655.32007	0.9
673.34253	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	2.1
51.53500	1.5
53.03931	6.7
53.41652	1.5
54.30946	1.5
55.01868	19.1
55.05263	2.9
55.05505	33.5
57.03152	2.2
57.03431	34.1
57.07063	7.2
59.04979	5.5
61.02911	2.9
65.03938	3.5
67.05500	96.9
69.03419	37.1
69.07059	12.4
71.01347	3.8
71.04983	12.1
73.02916	34.7
79.05486	50.6
80.06201	1.6
81.03410	98.8
81.06579	2.6
81.07053	49.3
82.04177	1.6
83.04975	34.7
83.08617	34.3
85.02895	55.2
85.06525	5.2
87.04466	3.0
91.05474	43.4
92.88857	1.4
93.07036	28.7
95.04959	41.9
95.08594	21.1
97.02879	29.2
97.06519	12.2
97.10165	10.9
98.07333	2.6
99.04465	9.3
99.08062	2.4
101.02356	5.1
103.03934	3.3
105.06367	2.9
105.07021	29.9
107.04948	30.8
107.08589	17.7
109.02877	11.8
109.06530	8.7
109.10148	70.2
110.10497	1.8
111.04428	10.0
111.08067	17.1
113.05985	2.6
114.66566	1.6
115.03948	2.7
115.05405	2.2
116.04678	4.2
117.06997	6.4
119.04905	3.3
119.08568	26.7
121.02815	2.6
121.06510	3.0
121.10133	13.4
122.76008	1.6
123.04398	8.9
123.08070	8.1
123.11704	5.1
125.05977	3.6
125.09594	7.9
127.03902	13.1
127.07585	1.9
127.11172	2.7
129.05513	11.4
129.06987	14.6
131.03378	4.8
131.08556	16.6
133.06511	3.0
133.10123	18.0
135.04384	13.7
135.08008	3.3
135.11667	4.5
137.06010	2.0
137.09605	8.7
139.03902	5.3
139.07549	2.5
141.06961	2.4
142.07756	2.5
143.07048	2.7
145.04948	2.8
145.10126	6.9
147.08025	3.5
147.11691	17.7
149.05972	3.0
149.09610	8.5
149.13199	2.1
151.03859	3.3
153.01802	9.9
153.05492	5.4
153.12685	2.0
155.10654	3.9
157.08766	3.0
157.10083	17.5
163.11169	8.0
165.12743	5.3
167.06961	3.4
171.06543	4.0
171.11705	1.8
173.04483	3.3
173.11723	18.7
175.11185	16.5
177.12758	2.0
179.08614	1.7
181.04951	5.3
181.12216	3.5
185.11664	2.3
189.11189	3.4
191.10660	2.9
193.12230	51.8
199.06003	4.6
199.13258	2.9
201.14856	2.1
209.11745	3.6
211.13271	69.8
212.13484	2.0
217.07011	4.6
225.20091	2.0
227.12759	7.3
229.12062	3.5
229.14320	58.3
230.14615	1.7
241.14265	2.0
255.12314	1.8
255.15744	2.1
267.09268	2.4
267.15894	21.2
283.15317	5.2
285.10205	2.9
285.16928	31.9
289.14099	1.7
301.16571	8.6
309.16934	1.7
315.04797	2.9
337.16428	1.7
362.77682	1.7
365.15451	3.2
367.21439	1.9
394.97961	1.9
409.25397	2.1
413.17758	3.0
421.25845	17.1
429.21191	3.1
439.26849	100.0
440.26947	2.4
459.27267	4.0
475.27182	2.4
477.28351	4.5
493.27545	6.5
493.34171	1.9
495.29285	2.7
501.22943	3.2
511.28848	3.3
562.71057	2.0
650.06348	1.7
655.33368	7.3
673.33270	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	672.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
54.84662	0.7
55.01861	1.4
55.05508	7.9
57.03215	0.6
57.03442	6.3
57.07072	37.7
61.02647	1.1
61.02925	15.6
62.05257	0.6
63.64267	0.7
67.05499	18.0
68.05813	1.2
69.03400	2.7
69.06733	0.7
69.07066	11.2
71.04972	1.5
71.08630	32.5
73.02909	5.7
75.04463	2.3
79.05487	9.1
80.05811	1.4
81.03416	8.6
81.07051	23.5
82.03725	1.4
82.07374	2.1
83.04981	1.4
83.08141	1.0
83.08609	14.8
84.08943	0.8
84.92091	0.6
85.02427	1.4
85.02901	19.1
85.06519	1.7
85.09655	0.9
85.10177	17.8
89.05973	0.8
89.59196	0.9
91.00999	0.6
91.03952	14.9
91.05072	0.7
91.05477	8.5
92.05798	1.9
93.07035	8.9
94.07361	1.1
95.04965	6.4
95.08601	28.9
96.05283	1.2
96.08939	2.0
97.02885	8.9
97.06532	1.8
97.10160	9.7
99.04490	1.2
99.11707	1.4
101.06066	0.8
105.07027	5.8
106.07354	1.6
107.04939	1.9
107.08576	3.8
109.02880	2.0
109.06544	0.7
109.10140	15.5
111.04420	1.6
111.08076	1.1
111.11703	1.8
113.13320	0.8
115.03935	1.3
115.05437	1.1
117.07004	2.7
119.08587	4.1
120.08918	1.1
121.06477	1.5
121.10139	2.7
122.10506	0.7
123.04395	0.8
123.11681	6.1
125.09635	1.7
125.13275	1.3
127.03909	6.9
127.59954	0.7
127.64651	0.6
129.06973	2.3
131.08559	3.6
133.06509	1.3
133.10136	3.2
135.11667	2.2
137.13246	2.1
141.06979	1.0
143.08525	2.4
145.04944	8.4
145.06537	1.2
145.10133	1.9
147.08037	1.6
147.11670	2.2
148.11954	1.0
149.05991	0.9
149.09608	1.2
151.14784	0.9
155.08488	0.9
157.10112	1.7
159.11725	1.8
161.13364	1.0
163.05994	15.1
163.11189	0.8
169.10088	1.4
171.11667	1.2
172.11938	0.9
173.13252	1.2
183.11693	0.8
185.09592	0.8
193.12198	1.9
194.12517	0.8
195.11649	1.1
197.13199	1.2
211.13232	1.1
221.22685	1.3
229.61551	1.0
239.23686	22.1
257.24768	3.3
267.15866	1.9
268.16068	1.2
273.14761	1.0
274.15240	1.2
298.27386	0.9
301.14072	1.3
302.14899	1.4
313.27341	100.0
314.27682	2.4
319.15488	1.8
320.15582	2.1
331.28406	52.5
332.28738	1.9
335.25723	2.6
336.26028	2.8
444.27890	1.3
544.35010	0.8
546.38647	1.4
580.36340	0.9
596.93420	0.9
636.39832	3.5
652.72687	1.0
654.40442	5.0
672.41730	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	672.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62590	0.3
55.05511	3.3
57.03439	3.8
57.07072	35.0
58.22087	0.4
59.04980	0.4
61.02922	12.9
67.05502	9.3
69.03420	1.8
69.07063	8.2
69.41723	1.6
69.42148	1.3
71.04973	0.8
71.08628	29.3
73.02907	4.7
75.04484	2.3
79.05487	0.7
81.03397	0.9
81.07050	14.7
82.95934	0.3
83.04963	0.3
83.08611	11.9
85.02900	14.8
85.06541	0.5
85.10178	17.1
87.04439	0.4
89.06026	0.7
91.03945	12.2
91.05442	0.7
93.07040	1.3
95.04942	0.4
95.08600	23.7
97.02888	7.1
97.10167	6.5
98.20729	0.4
99.04417	1.0
99.08088	0.4
99.11725	1.1
103.07565	0.8
103.48653	0.3
105.07002	0.5
107.08604	0.6
109.02865	0.4
109.10149	11.6
111.11708	1.4
113.13230	0.5
115.03912	1.2
115.04683	0.4
119.08614	0.4
121.10114	0.6
123.11712	4.7
125.13268	1.1
127.03902	3.8
127.84177	0.4
132.64375	0.4
135.11676	0.4
137.13243	2.3
139.14786	0.5
144.04189	0.3
145.04944	6.5
151.14803	0.9
155.17976	0.3
163.06006	9.4
165.16382	0.6
221.22650	1.1
239.23672	17.9
240.23842	0.5
257.24725	3.7
298.27267	0.7
313.27338	100.0
314.27667	3.1
331.28394	36.7
332.28809	1.3
348.30920	0.4
467.47919	0.5
475.32593	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	672.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.01859	1.2
55.05264	0.3
55.05514	5.8
57.03439	4.4
57.07053	0.4
58.78880	0.3
61.02912	1.0
65.03917	0.8
67.05503	24.4
69.03413	0.7
69.06236	0.4
69.07068	7.8
71.04981	2.1
71.60005	0.6
73.02911	0.5
73.06571	0.3
77.03931	0.5
79.05491	27.4
81.03419	3.0
81.07056	29.1
83.04980	5.3
83.08614	5.5
85.02888	1.3
85.06539	2.0
91.04890	0.6
91.05476	19.2
93.07040	34.3
95.04961	7.9
95.08603	10.5
95.09238	0.4
97.02876	1.1
97.06525	4.4
97.10169	1.7
99.08102	1.4
105.04527	0.8
105.07027	12.2
107.04950	2.4
107.08591	12.2
109.06518	2.4
109.10161	1.7
111.08090	2.2
113.09637	0.5
115.05436	0.5
117.07007	4.9
119.07787	0.6
119.08582	8.3
121.06514	1.5
121.10143	6.2
123.08109	1.5
123.08897	0.3
123.11705	1.0
127.07577	0.7
128.06190	0.7
129.06992	5.0
131.08574	2.9
133.10130	4.2
135.08060	0.9
135.11670	3.5
143.08569	2.5
145.10120	2.9
145.76665	0.3
147.08069	0.8
147.11681	10.7
149.09613	0.4
149.13255	8.4
151.11195	0.4
159.11714	3.3
161.09566	1.2
161.13261	3.2
163.11125	0.4
171.11691	7.2
177.12738	1.6
184.07361	0.4
189.12714	3.1
195.13824	2.6
207.13802	7.6
213.14822	0.4
225.14810	1.0
263.16342	0.4
269.17471	22.5
281.17462	19.0
281.20676	0.4
284.45630	0.3
363.00153	0.3
404.78262	0.3
417.76334	0.3
457.29550	0.4
475.30542	100.0
476.30966	2.7
619.34497	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.5
53.03930	2.0
53.20107	0.4
55.01865	1.2
55.05510	5.9
57.03436	2.7
57.07065	0.7
59.04999	0.4
61.02912	1.4
65.03926	0.8
67.05499	23.3
69.03418	1.0
69.07061	6.8
71.04980	1.6
73.06526	0.5
77.03880	0.4
79.05488	23.3
79.27513	0.4
81.03416	3.7
81.07052	26.7
83.04977	4.3
83.08614	6.2
83.56287	0.5
85.02901	1.3
85.06533	1.3
85.23721	0.5
91.03939	0.9
91.05475	17.2
93.07036	28.8
95.04961	7.1
95.08600	10.0
97.02874	1.2
97.06522	3.0
97.10166	1.5
105.07025	10.5
107.04955	1.5
107.08588	13.0
109.06492	2.7
109.10149	2.2
109.26870	0.6
111.08088	1.9
117.07014	4.4
119.08561	6.8
121.06490	1.1
121.10135	4.2
123.08086	1.8
123.11727	1.4
127.07530	0.8
128.06136	0.6
129.06987	4.6
131.08542	2.8
133.06502	0.6
133.10115	7.0
135.07968	0.8
135.11681	3.3
143.08542	2.7
144.93816	0.4
145.10101	2.8
147.08070	1.1
147.11682	9.3
147.12794	0.9
149.13246	4.5
159.11700	2.5
161.09566	0.8
161.13277	3.2
171.11674	6.3
177.12758	1.3
189.11298	0.5
189.12737	2.8
195.13809	3.5
207.13809	7.0
225.14807	1.1
247.94009	0.5
269.17480	15.4
281.17450	18.5
317.23080	0.4
413.21460	0.5
475.30521	100.0
476.30853	1.9
619.34332	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.6
53.03935	13.5
55.01864	10.0
55.05503	46.8
56.60531	1.8
57.03436	16.1
57.07045	3.7
59.41209	2.0
65.03944	9.7
67.05499	99.5
69.03420	17.4
69.07063	30.4
70.81137	6.2
71.04990	8.1
75.75293	1.8
79.05117	2.4
79.05485	83.5
81.03411	96.3
81.07047	100.0
81.38492	1.9
83.04979	20.9
83.08611	26.0
85.02898	10.8
85.06544	6.0
89.08575	2.0
91.05473	80.4
93.03365	2.1
93.07038	83.7
95.04963	54.9
95.08589	59.2
95.09158	3.9
97.02887	16.0
97.06548	10.2
97.10161	18.1
99.04494	3.4
103.05456	3.6
105.07021	60.1
107.04955	19.9
107.08585	41.0
108.75359	2.6
109.02869	23.9
109.06493	10.3
109.10146	24.0
111.04457	9.9
111.08071	10.7
115.05441	6.1
117.07014	25.0
119.04948	6.4
119.08567	46.4
121.02901	2.8
121.06497	16.8
121.10133	27.5
123.04456	6.0
123.08069	9.3
123.11737	9.4
125.02332	5.6
125.06021	2.4
125.09624	9.3
127.03926	9.5
128.06255	4.8
129.06999	26.5
130.07808	3.8
131.04933	6.9
131.08553	43.1
133.06503	9.8
133.10130	28.8
135.04427	2.8
135.08038	6.0
135.11673	14.8
137.05988	3.5
137.09644	3.5
141.07010	8.2
142.07751	5.2
143.08533	15.9
145.06435	11.2
145.10118	25.1
147.04378	5.1
147.08015	11.7
147.11665	24.0
149.06004	5.0
149.09619	12.5
149.13257	7.7
151.11179	2.9
153.07024	5.1
153.09100	2.8
155.08551	9.3
155.69232	2.0
157.06453	3.9
157.10106	22.3
159.08086	6.8
159.11678	15.2
161.06003	6.6
161.09628	7.2
161.13286	8.9
163.11223	7.1
165.05527	2.5
165.06952	4.9
165.12764	7.1
167.08612	10.1
168.09361	2.8
169.10178	10.1
171.08095	7.0
171.11659	10.6
173.05954	3.0
173.09621	5.2
173.13184	10.2
175.07573	4.2
175.11235	12.7
175.14827	5.8
179.08635	4.5
181.10098	5.1
183.08025	2.5
183.11719	9.2
185.09660	5.5
185.13292	6.6
187.07497	5.3
187.11150	3.1
187.14801	5.3
189.05507	3.9
189.09045	3.1
189.11192	5.3
189.12794	4.1
191.10600	3.3
193.12221	28.0
195.11790	7.3
195.13663	2.3
197.09573	2.8
197.13283	8.0
199.11209	3.2
199.14836	4.4
207.11809	2.2
209.13303	5.2
211.11331	5.2
211.13141	20.0
213.16464	3.1
215.14311	2.7
217.12271	2.3
217.52885	2.2
223.11089	2.3
225.12834	3.3
227.12582	4.9
229.12222	2.8
237.12833	3.0
245.30540	2.2
253.15779	3.1
255.13901	4.0
259.20734	4.2
261.22119	11.6
265.19424	2.5
267.15912	45.0
267.20541	2.4
273.14813	12.9
277.21573	2.8
283.13013	3.0
285.17053	5.7
297.22226	2.3
301.14221	10.7
301.25314	3.0
303.15881	3.2
319.15347	17.5
321.17212	2.3
335.25778	66.2
337.16376	2.3
339.23315	2.5
341.24963	4.1
351.22958	10.4
369.24234	18.0
375.18054	6.2
387.25153	5.5
393.19095	10.2
435.32611	3.1
443.28049	6.4
453.33682	3.9
461.28961	2.3
497.23843	3.0
527.37329	24.8
530.39142	9.2
545.38330	20.7
561.35461	2.4
607.39697	3.2
617.38770	4.4
619.12683	2.7
623.39447	6.8
635.39301	22.0
641.40356	4.7
653.40247	35.6
671.41473	82.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01882	1.0
55.05258	1.5
55.05508	17.7
57.03437	1.8
57.07071	8.5
59.05013	0.9
61.02920	1.4
65.03931	1.4
67.05130	0.9
67.05502	34.3
69.03419	5.0
69.07064	38.3
69.89235	3.8
70.06588	1.8
71.04984	4.0
71.08630	3.7
73.06560	0.9
76.01513	0.7
79.05486	15.8
81.03437	3.6
81.07052	100.0
82.07369	1.0
83.04980	1.8
83.08614	21.5
83.09109	1.3
83.49406	0.7
85.02906	10.9
85.06528	6.9
85.10173	2.7
91.05470	9.9
93.07037	34.7
95.04960	4.8
95.08600	95.8
96.08942	0.8
97.02883	3.2
97.06514	5.9
97.10158	19.2
98.21530	0.9
99.04443	1.3
99.08083	3.1
103.05471	0.7
105.07021	13.5
107.04955	1.8
107.08587	33.0
109.02862	2.2
109.06491	1.3
109.10149	52.1
111.08078	3.3
111.11715	12.3
113.09647	1.1
116.99738	0.8
117.06971	0.9
119.04932	1.1
119.08572	11.7
121.02771	0.8
121.06516	0.9
121.10132	24.5
123.04415	2.7
123.08049	1.4
123.11700	32.7
125.09640	2.3
125.13283	3.8
127.03878	2.7
127.11171	1.6
131.08481	1.1
133.10126	8.7
135.11685	19.7
137.05960	1.1
137.09625	1.4
137.13254	11.5
139.03842	1.0
139.11160	1.8
145.04945	1.4
147.04416	6.4
147.11644	6.5
149.09601	0.8
149.13249	25.4
151.03818	1.1
151.11166	1.4
151.14798	8.1
153.01825	13.8
153.12723	1.2
155.10779	0.7
161.05966	1.0
161.13194	5.2
163.03925	1.2
163.13589	1.2
163.14824	14.0
165.16383	3.2
167.07126	1.0
167.14194	1.0
169.15855	1.2
169.88396	0.7
175.11270	0.7
175.14737	2.9
177.05478	1.6
177.16399	7.1
179.17952	4.5
181.04996	0.8
181.15811	1.5
189.05360	0.9
189.16353	3.0
191.03334	0.9
191.17924	4.3
193.12164	2.0
195.17358	1.1
197.19048	1.5
203.17897	2.3
205.19437	1.2
209.18930	1.2
211.13254	1.6
217.08374	0.9
217.19464	2.8
231.21037	0.8
247.24023	2.7
261.25745	4.5
265.25073	2.5
269.07986	0.6
273.25748	13.9
279.23904	0.9
279.26828	13.9
281.28360	0.7
290.20016	0.7
291.23654	1.5
291.26785	29.5
297.27869	31.6
304.90790	0.7
309.27856	65.6
310.28140	0.8
325.11139	0.9
327.28854	7.9
339.12192	1.3
345.29837	7.6
435.30585	1.1
489.31110	2.0
669.23090	3.4
669.36554	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	667.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.7
53.03946	5.0
55.01866	3.7
55.05507	14.0
56.34047	0.7
57.03434	6.9
57.07072	33.7
61.02906	0.7
67.05499	28.4
69.03426	14.4
69.07060	11.2
71.01353	1.2
71.04989	7.2
71.08628	22.8
73.93854	0.7
79.05057	1.1
79.05495	14.9
79.46861	0.7
81.03414	74.5
81.07052	34.1
83.04970	11.2
83.08614	21.7
85.02900	9.1
85.06548	1.6
85.09672	0.8
85.10174	14.5
91.04908	0.9
91.05472	18.6
93.07046	11.3
95.04967	14.3
95.08602	28.7
97.02881	16.9
97.06528	2.7
97.10175	6.6
99.04456	4.5
99.08119	1.4
101.98059	0.9
105.07017	14.1
106.07476	0.7
107.04948	4.5
107.08575	5.2
109.02876	12.5
109.06510	2.9
109.10146	9.5
111.04453	9.1
111.08063	4.9
112.80960	0.8
113.06034	1.1
115.05443	1.0
117.07018	3.0
119.04977	0.9
119.08573	11.5
121.06483	2.1
121.10138	4.8
123.04388	1.8
123.08073	1.9
123.11709	5.8
125.09680	1.2
126.54472	0.7
127.03912	12.2
128.06306	1.0
129.05467	1.2
129.07011	6.5
131.04996	1.0
131.08571	5.9
133.06488	2.4
133.10121	6.5
135.04425	1.2
135.08054	1.0
135.11690	2.4
137.13298	1.7
141.07001	1.1
142.07776	1.6
143.08574	1.9
145.06544	2.0
145.10144	2.7
147.04320	1.2
147.08118	1.8
147.11685	13.5
149.09662	3.1
153.12802	1.6
155.08546	1.0
156.26346	0.7
156.32808	0.7
157.06508	1.1
157.10106	7.2
163.11211	3.8
165.12764	4.6
165.16457	0.9
167.08688	0.7
171.08066	1.0
171.11757	1.7
173.04506	3.3
173.09622	1.7
175.11177	8.2
181.10155	1.1
181.12169	1.7
184.07356	1.1
189.12714	1.5
191.10724	2.7
193.12239	21.9
211.13271	37.5
227.12796	3.2
229.14349	2.4
235.13373	1.0
239.23628	7.4
245.15297	0.9
249.14923	1.9
255.13936	1.8
267.15887	13.2
267.18515	0.9
273.14886	2.7
285.17041	3.1
289.14276	1.1
291.15930	1.7
301.14374	1.6
313.27359	29.6
337.16495	5.8
341.26776	1.5
347.18573	0.9
355.17404	7.9
383.28180	2.3
393.19122	2.1
411.20157	12.1
463.28726	0.9
505.39075	7.2
523.39777	12.7
557.41742	0.8
577.90863	0.8
617.62604	0.9
649.42889	3.3
667.44098	100.0
668.44299	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3293
Annotation	Strychnogucine B
Peak:m/z	Relative Intensity
50.48245	0.2
53.03924	0.4
55.01863	0.5
55.05504	0.7
57.03448	1.4
61.02921	3.7
67.05501	3.4
69.03427	2.3
69.07067	1.3
71.01358	0.6
71.05008	0.5
71.59276	0.4
71.77016	0.3
73.02915	2.5
79.05488	3.3
81.03421	2.7
81.07051	1.9
83.04976	1.2
83.08610	0.8
85.02899	4.2
85.06551	0.3
87.04478	0.4
91.03952	2.7
91.05465	2.2
92.25067	0.3
93.07041	3.2
93.88326	0.2
95.04992	1.3
95.08607	1.3
97.02879	3.4
97.06535	1.1
97.10168	1.0
99.04453	0.8
100.54182	0.3
101.02376	1.4
105.07036	1.5
107.08600	2.9
107.09304	0.4
109.02860	0.7
109.06548	0.4
109.10172	0.8
111.08065	0.3
117.07020	0.4
119.04996	0.4
119.08596	1.4
121.10117	0.8
123.11718	0.3
127.03912	1.3
127.79276	0.2
129.06990	0.6
131.08620	0.7
133.10130	1.1
135.08051	0.4
135.11676	4.4
145.02814	0.4
145.04988	0.3
145.10124	1.1
147.04413	0.6
147.11711	0.7
149.09605	0.3
151.64293	0.2
153.01848	0.4
157.10130	0.8
163.11197	0.7
169.10143	0.3
171.11746	0.3
175.11185	0.4
177.05460	0.4
181.12283	0.8
185.04233	0.3
193.12294	0.8
203.05333	0.3
211.13330	0.4
221.11496	1.1
221.13380	0.3
243.08359	1.8
251.12621	1.2
255.15913	0.6
265.35364	0.3
269.12482	0.3
277.14087	0.4
283.15561	0.3
285.16962	0.4
307.15262	0.5
439.19403	10.7
440.20154	0.4
469.20511	4.8
469.26981	0.3
470.21188	0.3
491.30737	0.3
505.27890	0.3
667.32928	100.0
668.33246	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	665.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.05508	1.4
57.03421	1.4
57.59433	0.3
59.49569	0.3
61.02917	4.0
67.05163	0.4
67.05502	4.7
67.25964	0.3
69.03426	2.4
69.07060	1.1
71.04977	0.7
71.13084	0.3
73.02914	3.3
79.05489	2.7
81.03414	1.9
81.07049	6.6
83.04980	0.4
83.08619	1.6
85.02898	4.8
87.04480	0.3
91.03949	3.6
91.05469	1.8
93.07028	4.7
95.04943	0.7
95.08576	1.4
97.02888	4.8
97.06506	0.8
99.04449	1.0
100.58487	0.3
101.02370	1.3
103.89404	0.3
105.07030	1.0
107.08572	3.1
109.02883	0.7
109.06517	0.5
109.10120	0.6
111.08078	0.4
115.03959	0.3
117.07024	0.9
119.08600	0.4
121.10137	1.1
123.11694	0.6
127.03922	0.9
131.08557	1.1
133.10109	2.0
135.08066	0.5
135.11690	1.2
145.10153	0.3
146.12283	0.3
149.13237	1.8
159.11707	1.0
161.72177	0.3
163.11263	0.4
177.12845	0.6
184.07326	0.6
185.04123	0.5
195.13792	1.6
203.05334	0.5
217.80344	0.3
235.13022	1.7
243.08344	2.3
269.17465	1.1
291.15735	0.6
453.20953	15.0
454.21695	0.5
665.35016	100.0
666.35406	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97982	0.4
53.03938	0.6
55.05511	1.3
57.03430	1.1
61.02930	2.5
62.40351	0.4
67.05500	4.6
69.03426	2.8
69.07069	1.7
71.05001	0.9
71.60408	0.8
73.02906	2.8
79.05499	2.6
81.03417	1.7
81.07057	5.3
83.04990	0.9
83.08619	0.9
85.02904	4.8
91.03967	2.5
91.05485	1.7
93.07030	4.6
95.04974	1.0
95.08611	1.8
97.02890	3.2
97.06554	1.0
97.10133	0.5
99.04471	1.1
101.02364	0.7
103.03966	0.6
105.07028	1.1
107.08607	3.0
109.06529	0.5
109.10191	1.0
117.07012	0.7
119.08583	0.7
121.06532	0.6
121.10155	1.4
127.03924	1.3
131.08572	1.0
133.10159	0.7
135.08102	0.6
135.11708	0.8
147.04317	0.6
149.13275	2.1
151.03917	0.4
157.10089	0.5
159.11726	1.1
177.12782	0.4
185.04236	0.6
195.13852	1.1
197.26382	0.4
219.21927	0.4
235.13129	2.1
243.08427	2.4
247.35501	0.4
255.32999	0.4
269.17615	1.2
453.20932	19.0
454.21274	0.9
549.66187	0.5
665.35028	100.0
666.35449	5.5
682.83704	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.4
55.01857	0.4
55.05511	0.8
57.03428	1.0
61.02924	3.3
67.05164	0.4
67.05499	4.9
69.03432	1.9
69.07063	1.1
71.01332	0.3
71.04988	0.4
71.59475	0.5
73.02914	2.7
79.05502	2.2
81.03419	1.4
81.06573	0.4
81.07050	6.1
82.95574	0.2
83.04979	0.6
83.08614	1.4
85.02907	4.3
85.06527	0.4
91.03934	2.7
91.05481	2.3
92.18643	0.2
92.38142	0.2
93.07039	4.3
95.04950	0.7
95.08625	1.7
97.02895	3.3
97.06526	1.1
97.10135	0.3
99.04452	0.8
101.02377	1.7
103.03928	0.4
105.07008	1.1
107.08596	2.3
109.02902	0.6
109.06505	0.5
109.10168	1.1
110.56887	0.2
111.08076	0.5
115.03973	0.4
117.07019	0.7
119.08546	0.2
121.10152	1.4
123.11707	0.5
125.49720	0.3
127.03924	1.6
131.08559	1.0
133.10115	1.7
135.11710	1.3
145.04948	0.3
145.10092	0.2
147.11659	0.3
149.13261	2.5
159.11697	1.1
169.10103	0.2
177.12761	0.5
185.04236	0.6
195.13716	1.3
203.05283	0.4
235.12990	2.0
240.76015	0.2
243.08394	1.8
249.22800	0.2
269.17499	1.4
269.95224	0.2
271.13879	0.2
275.19962	0.3
291.15790	0.8
390.44995	0.2
453.20938	16.2
454.21332	0.7
503.29767	0.4
665.35028	100.0
666.35425	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	664.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.6
55.76357	0.5
57.03181	0.8
57.03437	8.1
57.07076	16.9
59.04993	2.2
61.02930	3.1
65.03909	0.9
67.05504	46.0
69.03422	0.8
69.07065	5.5
71.04979	2.4
71.08633	12.7
71.59999	0.6
79.05489	1.4
81.07056	12.0
83.08622	7.8
85.02912	3.2
85.06525	1.4
85.10190	7.6
86.40167	0.7
86.56708	0.6
89.06036	0.7
90.67339	0.6
91.03954	1.1
91.05460	3.0
93.07045	1.9
95.04969	0.7
95.08609	12.5
97.02876	2.2
97.10148	2.3
100.06931	0.6
103.07574	0.7
107.08582	1.0
109.10156	54.8
111.08079	2.6
119.08593	3.1
119.74130	0.6
123.11710	2.1
137.09604	2.9
137.13272	1.6
155.10667	3.2
162.85953	0.6
170.51814	0.7
173.11734	20.0
229.14355	100.0
239.23509	1.1
257.24802	1.5
287.06693	0.6
309.11057	0.6
313.27365	79.8
467.37335	67.0
467.42416	1.2
467.44235	1.3
468.37396	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.35
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
53.36060	0.2
55.01855	0.5
55.05499	0.7
57.03431	1.8
57.82291	0.2
61.02921	3.4
61.36765	0.2
65.03921	0.3
67.05500	5.8
69.03417	2.1
69.07066	2.0
69.43463	1.0
69.43890	1.1
71.01334	0.2
71.04986	0.7
73.02911	2.3
73.29185	0.2
76.51942	0.2
79.05481	2.3
81.03397	1.5
81.07052	6.3
83.04979	0.9
83.08600	1.4
85.02898	3.7
85.06544	0.5
91.03944	2.3
91.05460	1.5
93.07039	5.0
95.04964	0.8
95.08597	1.6
97.02890	3.1
97.06532	1.3
97.10184	0.3
97.62731	0.2
98.20735	0.4
99.04453	0.8
101.02371	1.6
103.03935	0.5
105.07021	0.8
105.21503	0.2
107.08591	2.6
109.02885	0.8
109.06526	0.3
109.10171	0.8
111.04408	0.3
111.08107	0.6
115.03936	0.4
115.43729	0.2
117.07007	0.8
119.08607	0.6
121.10127	1.8
125.09628	0.2
127.03925	1.6
129.05467	0.2
129.06984	0.2
131.08583	0.9
133.10121	0.7
135.11696	1.1
140.43994	0.2
145.10135	0.4
149.09676	0.2
149.13252	3.2
151.11172	0.2
157.10101	0.2
159.11658	1.3
163.11182	0.3
173.11742	0.3
177.12772	0.8
185.04247	0.4
189.78934	0.2
195.13791	0.8
229.32777	0.2
235.13008	2.1
243.08380	1.7
269.17532	1.0
275.20166	0.6
291.15781	0.9
349.23776	0.3
403.56775	0.2
453.20905	16.7
454.21368	0.4
503.34088	0.4
548.25714	0.2
647.37549	0.4
665.35022	100.0
666.35242	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	662.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.7
56.05015	0.6
57.03407	0.5
57.07043	0.3
58.06586	0.4
58.67476	0.3
60.07883	0.3
60.08159	5.9
67.05510	1.6
69.07043	0.8
71.07365	3.1
71.60339	0.4
71.60778	0.4
79.05460	1.3
81.03390	0.9
81.07039	1.3
83.04947	0.3
83.08585	0.6
85.02870	0.7
86.09697	27.9
91.05453	1.2
93.07002	1.4
95.04953	0.8
95.08586	1.2
97.10126	0.4
97.44621	0.3
98.98454	1.8
104.10734	2.7
105.07018	0.9
107.04969	0.4
107.08556	1.1
109.06483	0.5
109.10133	0.9
119.04922	0.5
119.08559	0.9
121.10117	0.6
123.04403	0.8
124.99992	19.4
133.10091	0.8
135.11684	0.7
139.03894	0.5
143.01022	0.4
147.04396	1.3
153.01807	0.9
177.05374	0.4
184.07323	100.0
185.07690	1.1
255.15892	1.1
267.15875	0.7
285.16922	0.4
385.39474	0.3
447.27399	0.6
465.28564	2.2
662.36646	12.0
663.36243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
53.04136	0.4
54.01445	0.5
55.01861	2.5
55.05504	13.8
56.05026	0.4
57.03431	17.1
57.07056	1.2
59.04962	0.7
60.06184	0.4
60.08131	1.5
60.84132	0.4
61.02923	3.5
64.13828	0.4
65.03902	1.5
67.05498	37.1
69.03430	3.4
69.07057	11.2
70.13876	1.6
70.14294	1.1
71.01350	2.6
71.04987	5.0
71.07362	0.9
73.02896	1.4
77.19383	0.4
79.05483	36.4
81.03410	42.3
81.07049	26.5
83.04496	0.6
83.04974	14.9
83.08614	15.5
85.02899	14.2
85.03404	0.5
85.06536	2.5
86.09692	8.5
87.04420	0.6
91.03921	1.4
91.05472	24.2
93.07032	38.4
94.07332	0.9
95.04956	18.3
95.08595	9.2
96.05248	0.6
97.02882	3.0
97.06522	9.6
97.10151	9.8
99.04430	0.9
99.08102	2.2
104.10683	0.8
105.07018	13.8
107.04947	5.5
107.08582	26.3
108.08857	0.5
109.06500	3.2
109.10139	4.6
111.04386	2.0
111.07359	0.6
111.08072	7.7
113.06009	1.2
115.05407	1.0
117.06979	3.6
119.04974	0.7
119.08566	15.5
121.06496	2.2
121.09316	0.6
121.10130	9.0
123.08015	1.8
123.11648	1.3
124.99992	5.7
125.09589	1.7
127.03922	0.5
129.07001	7.2
131.08546	6.1
133.06448	1.6
133.10109	8.4
135.08011	1.0
135.11674	38.6
136.12015	0.6
137.06007	0.5
137.09564	1.4
142.07768	1.2
145.10103	8.3
147.04384	0.8
147.07991	1.8
147.10634	0.7
147.11673	8.8
149.09604	3.8
151.11145	0.6
153.12689	1.3
157.10114	8.8
158.10468	0.6
163.11171	6.1
165.12715	2.4
169.25177	0.5
175.09744	0.7
175.11160	9.8
177.05322	0.5
181.12238	7.2
184.07318	27.5
184.17072	0.4
193.12218	26.7
199.13303	0.9
211.13264	33.1
212.13588	0.6
249.14999	0.8
255.15886	92.9
256.16196	2.3
267.13007	0.8
267.15884	18.7
285.16937	24.9
286.17310	1.0
327.57983	0.5
355.22574	0.7
409.25388	0.4
421.25790	1.8
447.27377	39.2
448.27814	1.8
465.28442	100.0
466.28690	5.0
564.57196	0.5
609.32715	0.5
662.36548	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	662.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
55.01853	2.6
64.15953	0.9
65.03925	3.0
67.05486	3.0
68.21635	0.9
69.03424	1.8
70.06568	0.9
71.05001	1.3
71.60121	1.1
71.60513	1.0
75.04471	2.5
77.03912	0.9
78.04688	2.9
79.05479	3.7
81.03409	2.0
81.07041	3.0
83.08602	1.0
85.02911	6.4
86.09691	2.7
89.03903	1.1
91.05471	13.0
93.03384	7.6
93.07033	3.8
95.04955	7.4
95.08587	2.7
97.02910	1.6
97.06504	3.4
103.05457	11.8
105.03378	0.9
105.07040	6.3
106.04167	15.8
107.04977	6.8
107.08591	2.3
109.02868	0.9
109.06511	1.5
109.10207	1.0
110.03634	1.1
110.07198	1.0
111.04424	1.2
115.05438	3.5
117.06995	2.1
118.04142	2.8
119.04922	3.0
119.08575	2.0
121.06506	19.0
123.04430	6.8
123.07981	1.3
124.05273	1.3
125.05985	8.5
127.03917	1.0
129.07028	1.1
131.04926	11.8
132.05695	0.9
133.06480	6.1
134.03610	3.2
135.04362	2.5
135.08099	1.2
137.05994	4.9
138.03201	1.0
139.03891	11.5
139.07532	1.7
140.04227	2.7
141.04333	1.0
144.05786	1.0
145.02853	2.1
145.06477	4.1
147.04391	5.9
147.08038	1.6
148.05205	5.8
149.05977	32.1
151.03911	5.1
151.07521	2.9
153.01839	5.3
153.05458	3.8
153.09093	9.1
155.07121	1.0
156.01103	1.0
159.04405	1.0
161.06013	6.2
163.03944	2.5
163.07512	10.2
165.05449	2.9
166.06163	1.4
167.07039	33.6
171.06490	1.9
173.05974	3.1
175.03914	1.1
175.07501	1.6
176.04678	1.8
177.05470	21.5
178.05997	1.0
179.06996	1.7
181.04958	34.9
181.08571	16.8
184.07283	4.2
187.07564	1.8
189.05347	1.3
189.09087	1.1
191.07024	41.4
192.07492	0.9
193.08598	2.7
195.06435	1.7
195.08006	1.0
203.07050	1.9
205.08521	2.1
207.06410	0.9
207.10196	1.3
209.08073	100.0
210.08366	1.2
211.07521	0.9
217.08545	1.6
219.10115	2.9
221.08032	1.3
233.08124	3.0
235.07515	1.9
235.09695	3.0
237.09395	1.0
263.09146	10.8
267.10034	1.3
297.11502	1.0
303.08508	1.7
305.03079	1.2
313.17923	1.3
325.10709	2.0
339.12061	1.4
357.13226	2.9
360.04297	1.0
371.15015	0.9
385.12851	6.2
399.14410	1.3
404.51724	1.0
417.15375	10.6
462.94293	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01881	0.9
55.05507	6.1
57.03435	7.3
57.07067	1.3
61.02919	1.5
65.03925	1.3
67.05499	33.6
68.05835	0.3
69.03416	0.6
69.07063	12.0
69.44044	1.3
69.44461	0.4
71.01350	0.3
71.04986	2.8
71.08627	0.3
73.02905	0.7
75.21334	0.2
77.03904	0.3
79.05488	18.5
81.03423	1.2
81.07050	44.2
82.07380	0.4
82.87270	0.2
83.04973	3.7
83.08612	7.9
85.02884	2.0
85.06537	2.5
91.03943	0.7
91.05476	8.2
93.07036	35.0
95.04967	3.1
95.08600	11.3
97.02874	0.9
97.06526	7.1
97.10161	1.0
99.08093	1.9
103.03964	0.2
103.05441	0.2
105.04508	0.2
105.07024	3.8
107.04965	0.3
107.08586	19.4
108.08944	0.2
109.06514	1.6
109.10136	2.1
111.08070	4.6
111.11682	0.6
113.06008	0.4
113.09635	0.6
115.05387	0.2
117.07011	4.6
118.07330	0.2
119.08576	1.1
121.06498	0.8
121.10133	12.6
122.10542	0.2
123.11707	1.1
123.81814	0.2
125.09638	0.7
127.03884	0.4
127.07557	0.4
129.07024	0.2
131.08560	5.5
133.10110	4.8
135.08095	1.0
135.11681	4.8
139.07475	0.2
139.11191	0.9
147.11610	0.8
149.09645	0.4
149.13248	20.4
151.11174	0.6
153.09082	0.2
157.10155	0.2
159.11679	9.5
160.11963	0.2
167.14296	0.4
177.12733	3.8
195.13799	6.3
195.93484	0.2
213.14716	0.9
215.39030	0.2
251.16449	0.4
269.17456	52.6
270.17892	1.0
283.46310	0.2
324.35580	0.2
350.61957	0.2
445.29642	0.3
463.30508	100.0
464.30823	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	660.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.7
57.07073	27.8
58.14562	0.5
61.19672	0.6
67.05502	1.9
69.07049	1.8
69.58759	3.3
71.04987	0.6
71.08628	24.6
72.21265	0.5
73.02921	0.9
73.06551	10.5
79.05486	0.7
81.07052	1.6
83.05008	0.7
83.08617	2.8
85.09650	0.9
85.10176	27.4
87.04465	10.0
89.06026	100.0
91.05488	0.8
91.07580	0.9
93.07073	0.8
97.10155	1.0
99.11753	3.0
105.07052	0.9
107.07062	4.8
107.96856	0.5
108.45215	0.6
109.10168	0.6
114.09182	0.7
117.09128	9.3
117.09893	0.8
130.08630	5.4
131.07048	3.0
133.08598	58.8
135.10156	1.5
141.16377	5.2
152.44801	0.6
161.11755	2.5
175.09676	3.0
177.11214	26.1
185.18950	6.1
221.13785	4.7
223.15425	0.8
226.21577	2.7
229.21590	12.2
239.14873	1.5
265.16428	1.0
273.24210	8.2
283.17429	3.0
309.19086	0.7
327.20117	1.3
353.21817	0.8
371.23196	1.0
423.32736	0.7
503.30634	2.2
511.37979	0.8
599.43622	0.8
643.46088	8.3
660.48718	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	660.395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88929	0.2
52.48056	0.2
53.03942	1.2
53.10238	0.2
55.01875	0.9
55.05506	5.6
57.03435	4.6
57.07084	1.2
59.05003	0.3
61.02923	2.8
65.03934	1.0
67.05502	27.8
68.05833	0.3
69.03422	1.0
69.07065	9.4
69.80510	0.6
69.80933	0.9
71.04993	2.6
71.08661	0.2
73.02910	1.0
77.04005	0.2
79.05489	15.6
81.03419	2.0
81.07052	37.4
83.04977	3.4
83.08612	8.1
83.09108	0.4
85.02892	3.3
85.06538	2.6
86.09705	0.4
90.90724	0.3
91.03971	1.3
91.05475	11.3
92.05763	0.3
93.07039	27.3
94.07365	0.4
95.04967	2.9
95.08601	10.7
97.02877	1.5
97.06525	5.0
97.10158	0.9
99.04465	0.4
99.08093	1.3
105.07024	6.4
107.04979	0.8
107.08590	15.8
109.06506	1.8
109.10145	2.9
111.08069	3.6
111.11780	0.3
113.06025	0.4
113.06913	0.2
113.09665	0.3
115.03853	0.2
115.05486	0.3
117.07005	5.8
118.21737	0.2
119.08560	2.9
121.06522	1.4
121.10130	8.6
123.08100	0.6
123.11702	2.5
125.09617	0.7
127.03894	0.6
129.07007	1.7
131.08556	7.0
131.09494	0.4
133.06508	0.4
133.10124	7.6
134.10492	0.3
135.08026	1.3
135.11699	5.6
137.09546	0.3
139.07567	0.5
139.11160	0.5
141.06956	0.5
142.07813	0.3
143.08536	1.5
145.05035	0.3
145.06389	0.4
145.10138	1.8
147.08015	0.3
147.11658	1.3
149.09659	0.9
149.13248	12.6
151.11194	1.1
153.09071	0.3
155.08575	1.0
157.10118	1.3
159.11681	6.8
161.09557	0.3
161.13185	0.4
167.08554	0.4
167.14313	0.5
169.10106	0.7
171.11720	1.1
173.13280	0.5
177.12726	2.3
181.10144	0.5
183.11731	0.7
184.07317	0.6
185.13232	0.6
195.11948	0.5
195.13785	7.4
197.13324	0.5
205.12050	0.2
209.13326	0.3
211.14851	0.3
213.13023	0.3
213.14874	0.9
217.15958	0.3
223.14766	0.3
225.16267	0.2
243.27718	0.3
251.16353	1.9
269.17462	26.5
270.17899	0.6
325.25250	0.4
335.23679	0.3
353.24615	1.5
365.11057	0.3
371.25772	0.9
389.27118	0.8
396.84094	0.2
427.28412	0.9
445.23340	0.6
445.29486	11.9
446.29904	0.4
463.30518	100.0
464.30853	3.7
481.31537	1.0
503.60129	0.3
585.70850	0.3
607.34943	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	660.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.01862	0.5
55.05507	5.1
57.03434	5.6
57.07062	1.0
61.02917	3.5
62.67714	0.4
65.03909	0.9
67.05502	29.6
69.03400	0.8
69.07066	9.7
69.39529	2.7
69.39934	0.9
69.81544	0.4
70.06557	0.8
71.04992	3.0
71.06890	0.4
71.08633	0.8
72.08826	0.4
73.02881	1.2
79.05489	17.6
81.03396	1.8
81.07052	42.6
83.04976	2.6
83.08155	0.6
83.08611	9.8
84.47298	0.4
85.02891	3.0
85.06552	2.6
88.07605	1.0
91.03923	1.3
91.05475	11.6
93.07041	25.5
95.04970	3.8
95.08067	0.6
95.08606	9.2
97.02868	2.2
97.06528	5.4
97.10152	0.8
98.21509	0.8
99.08060	0.9
102.09148	1.1
105.07029	3.8
107.04942	0.7
107.08591	17.0
109.06493	1.4
109.10150	2.2
111.08074	2.6
111.64733	0.4
117.07022	4.3
119.08511	1.2
121.06470	1.4
121.09327	0.5
121.10133	6.0
123.08009	0.5
123.11714	3.0
125.09640	0.6
131.08572	5.2
133.10126	9.6
135.08043	1.2
135.11685	5.7
139.03874	0.4
139.47438	0.4
147.11656	0.7
149.02283	1.5
149.09619	0.4
149.13252	10.4
150.02655	0.7
151.11159	1.2
159.11682	6.5
167.14343	0.6
172.89740	0.4
177.12700	2.3
193.04965	1.3
194.05273	0.8
195.13800	9.9
199.72635	0.5
213.14842	1.5
251.16536	1.9
256.26376	0.9
257.26660	0.9
258.26831	0.5
269.17465	56.6
270.17816	1.0
371.84402	0.4
445.29611	2.1
463.30533	100.0
464.30997	2.6
607.34778	1.2
660.36212	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	659.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.4
53.03935	1.2
55.01882	0.5
55.05507	3.9
57.03427	1.6
57.07074	1.9
59.35143	0.3
59.83007	0.4
61.02921	0.5
61.58687	0.4
65.03918	0.6
67.05173	0.5
67.05503	8.5
69.03423	4.3
69.06722	0.5
69.07064	6.8
70.79130	0.8
71.04980	1.5
71.08606	0.6
73.02905	0.3
76.42595	0.3
76.76004	0.3
79.01424	0.3
79.01827	2.0
79.05486	4.8
81.03419	10.5
81.07054	21.2
82.94789	0.4
83.04982	1.8
83.08612	5.3
85.02895	6.2
85.06564	1.7
86.09716	0.3
90.11179	0.4
91.05472	3.9
93.07039	6.8
95.04955	1.7
95.08601	16.5
97.02895	4.7
97.06513	1.1
97.10162	3.6
99.04439	1.6
102.58550	0.4
105.07021	3.6
107.01305	1.4
107.04934	1.4
107.08583	6.3
109.02873	6.3
109.06506	1.4
109.10150	10.1
109.84769	0.4
111.04436	0.4
111.08082	1.1
111.11716	1.9
111.45729	0.3
117.06979	0.7
119.04955	0.5
119.08582	3.6
121.10136	4.7
123.04410	2.5
123.08072	0.5
123.11686	6.6
125.02345	4.1
125.09631	0.3
125.13297	0.9
127.03916	7.3
129.07007	0.7
131.08534	1.3
133.02910	0.4
133.06512	0.4
133.10114	2.7
135.04277	0.8
135.11681	4.4
136.07512	0.3
137.02296	0.5
137.05957	0.7
137.09625	0.6
137.13249	2.1
139.03848	1.7
139.07538	0.4
139.11110	0.4
143.03407	4.8
145.04927	0.7
145.10130	0.4
147.04399	1.5
147.07996	0.4
147.11658	2.0
149.05984	0.8
149.09624	0.6
149.13248	4.1
151.03928	0.5
151.11215	0.8
151.14827	1.1
153.01819	100.0
153.12650	0.4
154.02109	0.8
154.27222	0.4
155.10599	0.4
157.10101	0.8
159.11713	0.7
161.05977	0.4
161.13248	1.1
163.03911	1.1
163.11243	0.4
163.14786	2.6
165.05457	1.0
165.09116	1.2
165.12767	0.4
165.16368	0.6
167.07022	0.8
171.02896	10.3
173.04485	0.6
175.03946	0.3
175.07494	0.3
175.11153	0.6
175.14818	0.5
177.05469	0.8
177.12787	0.5
177.16380	1.2
179.16505	0.3
179.17958	1.0
181.05048	0.5
183.02904	0.8
184.07330	0.4
189.05484	0.6
189.09018	0.4
191.17966	0.7
193.12238	1.8
197.18944	0.5
203.03413	1.9
203.18054	0.4
205.04866	0.4
207.10092	0.8
209.08119	0.4
211.13326	1.9
217.19478	0.6
233.08163	0.5
243.15892	1.5
254.20360	0.4
261.25757	1.4
267.15903	0.8
273.25699	1.9
279.04913	0.4
279.26767	2.2
285.16989	2.0
291.26807	4.8
297.06030	4.2
297.27853	3.8
309.27847	8.1
315.07077	11.6
327.08496	0.8
327.29007	1.3
355.08054	1.0
417.29807	0.5
435.27182	0.6
453.28357	2.5
455.29871	0.5
461.28745	1.2
479.13239	0.7
479.29965	1.9
497.38477	1.0
591.31262	0.4
597.31824	0.4
599.23889	0.4
623.34088	1.4
641.35358	1.0
659.27484	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01871	0.9
55.05508	4.7
56.30729	0.2
57.03434	5.7
57.07069	1.0
61.02919	3.8
62.12024	0.2
65.03934	0.9
66.84118	0.2
67.05499	26.4
68.05834	0.3
69.03429	1.3
69.07062	8.6
69.99393	1.0
70.06580	0.7
71.01354	0.4
71.04989	2.2
71.08648	0.3
73.02906	1.5
79.04996	0.3
79.05486	15.4
81.03409	2.0
81.07049	37.7
82.07397	0.4
83.04976	3.0
83.08609	8.4
85.02892	5.0
85.06523	2.1
86.03204	0.3
88.07631	0.8
91.03953	2.1
91.05473	8.9
93.07036	24.5
94.07384	0.3
95.04958	2.6
95.08598	8.6
97.02882	2.7
97.06519	5.0
97.10133	0.5
98.03193	0.4
99.04464	0.6
99.08091	1.3
101.02377	0.3
103.03941	0.3
105.07014	3.5
107.08586	14.6
108.08910	0.4
109.02872	0.3
109.06524	1.0
109.10146	2.0
111.08075	2.9
113.05979	0.3
113.09634	0.4
117.07011	3.6
119.08544	1.1
121.06515	0.8
121.10131	8.9
123.08081	0.3
123.11691	2.1
125.09634	0.3
127.03934	1.3
127.04760	0.3
129.05386	0.3
131.08563	4.1
133.10112	6.5
135.08064	0.8
135.11674	4.9
136.69441	0.2
138.22437	0.2
139.07526	0.3
139.11145	0.5
145.04964	0.8
145.10141	0.3
147.11690	0.7
149.02347	0.7
149.09625	0.6
149.13243	13.5
151.11177	0.6
155.09198	0.2
157.10139	0.3
159.11681	6.3
163.06036	0.3
167.14322	0.4
177.12746	2.9
192.28061	0.2
193.04947	0.9
194.05264	0.5
195.13783	7.1
213.14862	1.2
237.07741	0.3
238.07922	0.4
251.16370	0.7
256.26364	0.9
257.26672	0.8
258.27075	0.5
261.22192	0.5
262.22653	0.3
269.17453	41.8
270.17786	0.8
305.55621	0.2
335.25858	0.9
336.26160	1.5
386.09354	0.4
387.09799	0.3
404.34756	0.3
430.12119	0.6
431.12115	0.6
445.29584	0.7
463.30499	100.0
464.30911	2.4
607.34937	1.0
660.36426	4.8
680.52246	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52454	0.2
51.02371	0.5
52.56902	0.2
53.03936	0.7
55.01868	0.5
55.05298	0.3
55.05508	2.8
57.03419	0.6
57.07063	1.4
61.02921	0.4
65.03921	0.3
67.05164	0.4
67.05502	5.5
67.36360	0.2
69.03426	3.2
69.06722	0.3
69.07064	5.0
71.04991	1.1
71.08611	0.8
73.02889	0.3
79.01842	2.1
79.05486	2.7
81.03415	5.1
81.07051	16.4
83.04970	0.4
83.08615	4.0
85.02424	0.3
85.02899	4.1
85.06540	1.0
85.10172	0.3
86.09685	0.3
91.05496	1.9
93.07040	5.9
95.04955	1.3
95.08601	14.0
97.02879	3.2
97.06527	0.7
97.10168	3.7
99.04443	0.7
99.08076	0.5
100.41409	0.2
105.07028	2.6
107.01317	1.6
107.04954	0.3
107.08589	5.4
108.06955	0.3
109.02874	5.4
109.06501	0.5
109.10149	8.9
111.04424	0.3
111.08118	0.5
111.11715	2.2
113.09637	0.3
117.07010	0.2
119.04948	0.2
119.08568	2.3
121.06488	0.2
121.10143	4.2
123.04433	1.1
123.08072	0.4
123.11715	5.7
125.02354	2.9
125.09621	0.4
125.13269	0.7
127.03910	7.8
131.08594	0.4
133.10110	1.3
135.04459	0.3
135.11678	3.5
137.09624	0.4
137.13242	2.3
139.03885	0.5
139.11119	0.4
143.03387	4.3
145.04909	0.5
145.06554	0.3
147.04398	1.0
147.11711	1.0
149.13245	5.3
150.57573	0.2
151.03920	0.3
151.14804	1.6
153.01819	100.0
153.12701	0.2
154.02171	0.7
159.11690	0.4
161.09656	0.3
161.12099	0.2
161.13211	1.2
163.03848	0.4
163.14819	3.1
165.09154	0.4
165.12698	0.3
165.16389	0.8
167.07085	0.3
171.02885	9.2
172.03101	0.2
175.14813	0.4
177.16391	1.3
179.17969	1.1
181.04971	0.4
183.02850	0.4
184.07367	0.8
185.05885	0.2
187.03867	0.2
189.09084	0.2
189.16356	0.5
191.14528	0.3
191.17952	0.7
193.12195	0.3
195.17488	0.2
197.19080	0.4
203.17873	0.4
205.19476	0.3
209.08063	0.3
217.19525	0.5
235.20393	0.3
247.24217	0.5
261.25650	1.4
265.25244	0.5
267.92068	0.2
273.25797	2.5
279.04950	0.9
279.26813	2.3
291.26797	5.2
297.05984	4.2
297.27847	3.6
309.24200	0.4
309.27838	8.0
315.07074	13.0
327.28915	0.9
345.30032	0.6
399.28882	0.3
435.31003	0.3
443.28622	0.3
461.29080	0.5
461.35950	0.3
479.30338	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.01858	4.3
55.05306	0.7
55.05510	8.8
57.03431	21.1
57.07066	1.1
59.04984	0.9
61.02922	78.5
65.03921	2.0
67.05499	38.2
69.03424	31.4
69.03808	1.0
69.07059	7.4
71.01333	3.6
71.04989	5.5
71.22283	1.2
71.22617	1.4
73.02913	25.2
75.04454	2.0
79.05061	1.4
79.05489	22.5
81.03411	23.8
81.07050	34.5
81.35567	0.8
83.01323	1.2
83.04968	5.1
83.08609	4.3
85.02898	100.0
86.88202	0.8
87.04456	2.2
91.03948	61.4
91.05468	15.7
93.07040	31.2
95.04958	6.4
95.08598	29.9
95.09052	0.5
97.02884	75.5
97.06513	2.6
97.10167	1.8
99.00800	0.9
99.04447	12.0
99.08083	0.9
101.02364	7.8
103.03943	7.5
105.07018	11.7
107.04940	1.5
107.08588	15.3
109.02863	13.3
109.06498	1.6
109.10145	11.5
111.04455	3.8
111.08089	1.9
113.09631	0.7
115.03937	6.8
117.05477	3.3
117.07018	5.8
119.08578	10.3
121.10132	16.9
121.52093	0.8
123.08045	1.3
123.11707	3.8
127.03908	34.3
129.05467	5.5
129.07001	2.0
131.08554	8.6
133.06456	1.0
133.10135	9.9
135.08105	1.2
135.11697	9.5
137.05923	0.9
137.09576	1.0
137.13235	1.9
141.05457	0.9
143.08534	2.4
145.04955	26.1
145.10095	7.0
147.11682	6.2
149.09616	1.7
149.13242	5.9
157.10098	2.4
159.06555	1.3
159.11682	6.6
161.13257	4.9
163.05986	10.6
163.11188	0.8
163.14818	3.2
165.12665	1.0
169.10133	1.0
171.06554	2.3
171.07954	1.0
171.11707	1.9
173.13213	6.4
175.11232	1.2
175.14786	2.0
177.12683	1.2
177.16389	1.4
179.14336	2.1
181.09969	1.1
183.06548	5.8
183.11700	1.6
185.13179	2.1
187.14798	2.7
189.12700	0.9
191.14339	0.9
197.13289	0.9
201.07678	4.3
201.16370	1.7
233.22533	1.5
241.19444	1.1
243.20956	5.4
259.20538	2.8
261.22150	16.5
273.22110	1.7
275.23615	1.0
277.21774	0.9
279.23331	1.0
287.23911	0.9
303.23087	2.2
315.23178	2.5
317.24860	2.0
327.23215	1.8
335.25784	67.3
336.26001	1.2
351.23154	1.9
353.26703	1.1
363.25281	2.6
369.24213	2.9
377.26913	1.1
383.32962	0.8
387.25195	1.5
388.38095	0.8
405.26096	2.1
415.28323	1.1
443.27866	4.3
454.32251	0.8
461.28815	2.9
479.30075	10.0
497.31030	2.8
543.36578	0.9
561.37830	2.2
582.43811	0.8
613.16742	0.8
659.36279	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	659.1238
Annotation	Kunzeachromone D
Peak:m/z	Relative Intensity
51.02380	0.6
53.00304	0.2
53.03946	0.9
55.01875	0.2
57.03424	0.4
61.02923	0.2
69.03074	0.2
69.03426	2.8
70.10790	0.8
71.04989	0.3
79.01849	2.9
81.03413	6.7
82.13072	0.1
85.02899	3.0
91.59318	0.1
93.94327	0.1
97.02886	6.6
97.23081	0.1
98.20787	0.2
98.21333	0.3
99.04458	0.8
106.35872	0.2
107.01317	1.8
109.02878	5.2
112.67667	0.1
117.03371	0.2
123.04425	0.3
125.02333	3.8
127.03911	8.7
131.04904	0.2
135.00838	0.2
143.03383	6.4
145.02827	0.3
145.04912	0.9
153.01819	100.0
154.02151	0.8
163.03836	0.2
171.02878	15.7
177.05444	1.0
188.14551	0.2
201.05498	0.3
231.02902	0.4
242.02168	0.2
244.73422	0.2
259.02399	0.3
270.01648	0.3
277.03357	0.8
279.04984	0.2
285.03891	0.7
287.01929	0.2
297.06055	7.1
299.01926	0.3
313.03418	2.6
314.04202	0.5
315.01563	1.5
315.07074	6.4
324.19543	0.2
329.02832	0.2
330.03632	2.4
345.06033	9.8
346.06485	0.2
423.42960	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54295	0.7
53.03942	1.5
55.01870	1.0
55.05507	8.1
57.03419	1.5
57.07067	1.6
64.22284	0.7
65.03946	1.1
67.05503	26.9
67.05873	1.3
68.05818	0.7
69.07063	11.5
71.04982	3.1
71.61834	0.5
71.62305	0.7
76.49692	0.7
79.05486	14.8
81.07050	44.9
82.07394	0.9
83.05003	0.8
83.08609	2.3
85.06544	6.6
89.06068	1.2
91.05478	9.7
93.07039	16.3
95.04972	2.1
95.08599	41.2
97.06532	2.6
97.10143	1.1
98.06052	0.7
98.98485	0.8
99.08041	0.7
105.07038	5.9
107.08578	7.8
109.06537	0.9
109.10146	3.0
111.08123	0.6
117.07025	1.8
119.08558	6.4
121.10135	7.7
123.08111	0.7
123.11700	1.5
124.01568	1.0
131.08559	2.9
133.10146	2.9
135.11674	3.4
137.13277	1.0
144.96391	0.9
145.10117	2.0
147.11690	6.1
149.13240	1.7
159.11743	0.9
160.09198	0.7
161.13232	1.1
165.12836	1.9
183.13840	1.1
201.14821	0.7
208.16965	6.8
226.18033	7.6
257.17526	2.1
261.22174	1.0
288.38171	0.6
304.26297	2.0
306.14627	2.0
324.15811	0.8
335.25797	2.4
339.67929	0.7
362.17368	2.4
378.84882	0.8
380.18314	4.4
517.38861	100.0
518.39148	3.8
640.39667	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	658.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
54.03465	0.9
55.01874	0.4
55.04257	0.5
55.41964	0.3
62.67274	0.2
63.42526	0.2
65.03947	0.5
67.05470	0.3
67.58381	0.3
68.99795	0.7
70.06586	100.0
71.06919	0.3
76.37888	0.3
81.03404	1.0
91.05479	1.1
91.78488	0.3
93.03378	0.7
95.04955	0.9
103.05473	0.9
107.04948	12.3
109.02901	0.3
119.04933	10.3
121.02863	0.9
121.06515	0.4
123.04424	2.9
127.03898	0.4
131.04945	1.0
133.06528	0.7
135.04449	0.6
136.05147	0.6
137.05991	0.6
139.03889	1.9
145.06473	0.5
147.04393	7.2
148.14850	0.3
149.05995	0.3
151.03929	2.0
153.01868	0.4
157.06535	0.6
159.04395	2.0
161.05951	1.9
163.03896	14.5
164.04666	9.1
164.05984	0.5
165.05467	2.3
171.04402	0.4
173.05965	0.8
175.03903	0.6
177.05446	2.0
179.03397	1.4
185.06049	0.6
185.86252	0.3
187.03894	8.3
189.05446	1.4
191.03398	0.5
195.08069	0.5
197.06030	0.5
199.07535	0.5
201.05513	0.9
203.03383	0.5
204.00240	0.3
205.04945	6.2
213.05473	0.5
213.09123	0.4
215.07063	1.0
217.04863	0.5
225.05444	0.3
227.07016	0.3
229.04996	1.4
239.07030	0.7
243.06500	1.9
247.07567	0.4
251.07054	0.4
253.08777	0.7
257.08176	1.1
265.08673	0.5
267.06485	1.9
269.08060	8.0
271.05975	3.4
272.16208	0.3
281.08130	1.2
283.06104	0.8
283.09686	2.0
285.07507	2.8
289.07056	0.7
293.05148	0.4
293.07950	1.3
295.05966	1.9
297.07739	0.5
299.09085	1.4
303.08813	0.3
311.09085	6.0
313.07080	3.0
325.07037	4.0
368.14920	6.5
384.13510	0.3
395.11362	1.0
419.11346	0.4
431.11276	1.2
437.12378	0.9
440.55356	0.3
447.10739	0.7
449.12311	1.2
465.11691	2.2
488.04886	0.5
504.16873	0.3
577.66064	0.4
589.17041	1.3
601.17120	5.7
658.22760	28.1
659.23242	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.5
57.03411	0.4
57.07074	7.5
58.06595	1.9
61.02889	0.3
63.71257	0.2
65.03928	0.6
67.05499	1.4
68.05010	0.3
69.03416	0.4
69.07038	0.4
70.06590	18.8
71.04949	0.3
71.08624	3.0
71.31935	0.6
72.08112	0.9
74.06049	0.5
79.05453	0.4
81.03378	0.8
81.07018	0.8
83.08604	0.4
84.08112	0.3
85.02882	0.5
85.10143	1.0
86.09669	0.3
87.94563	0.3
88.07627	24.0
91.05460	0.5
92.15467	0.3
93.07015	0.6
95.04934	0.5
95.08596	0.4
97.02872	0.6
102.09175	18.4
103.05470	0.2
105.03394	0.5
105.06962	0.3
107.08520	0.5
109.10123	0.5
121.02856	0.5
127.03947	0.4
129.05417	0.3
131.04901	0.5
131.08553	0.3
132.10176	0.4
136.67218	0.3
139.03844	0.3
146.11780	0.4
146.81921	0.3
147.04347	0.6
149.02336	33.3
159.11568	0.2
173.04471	0.3
175.03868	1.2
177.05414	1.2
193.04955	48.2
194.05310	0.6
212.23692	0.7
219.06427	1.2
225.05464	1.0
237.07565	12.5
238.08022	0.3
256.26337	50.8
257.26666	1.0
269.04489	1.2
269.17664	0.3
297.03897	2.3
300.28946	1.0
313.07040	2.2
322.55350	0.3
341.06537	11.1
342.06732	0.3
343.08264	0.5
359.07590	8.3
385.09146	24.4
386.09473	0.6
429.11807	30.9
430.12115	0.9
461.28922	0.5
473.15439	0.3
596.32239	0.3
640.34937	1.2
658.35815	100.0
659.36212	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	658.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81532	0.2
54.03471	0.8
55.01860	0.3
55.04244	0.6
65.48883	0.3
68.99809	0.5
70.06589	100.0
70.74229	0.6
70.74598	0.6
71.06912	0.6
75.75932	0.2
79.05484	0.4
81.03417	0.8
85.02871	0.4
91.05466	1.4
93.03413	0.6
93.71408	0.3
95.04950	0.5
96.80735	0.3
103.05472	1.3
105.07052	0.5
107.04947	11.6
109.02892	0.4
109.06535	0.3
109.24889	0.3
111.04442	0.3
119.04943	9.6
119.05774	0.5
121.02860	0.4
123.04420	3.6
131.04948	1.1
133.06458	0.4
135.04416	1.6
137.06013	1.1
139.03922	2.7
145.06491	0.9
145.46223	0.3
146.39130	0.3
147.04402	8.6
151.03897	2.0
153.01849	1.1
157.06523	0.5
159.04449	1.7
161.05969	1.5
163.03902	14.8
164.04684	8.3
165.05484	3.2
167.08624	0.3
173.06049	0.8
175.03848	0.5
177.05431	1.7
179.03389	1.3
185.06071	0.5
186.70380	0.3
187.03894	7.3
187.07480	0.3
189.05498	0.9
191.03427	0.4
193.05019	0.3
195.08003	0.4
197.06079	0.4
201.05481	1.1
203.03383	0.3
203.07095	0.6
205.04932	6.7
207.06517	0.6
213.05382	0.7
215.07130	0.9
217.05086	0.4
223.07715	0.4
225.05461	0.4
227.07141	0.5
229.04909	1.4
239.07008	0.6
241.04851	0.4
243.06541	1.7
251.07138	0.7
253.08696	0.4
255.06508	0.7
257.08035	1.3
265.08859	0.4
267.06470	1.9
269.08057	6.8
271.06000	4.3
279.06345	0.5
281.08127	0.6
283.06140	0.9
283.09653	1.4
285.07544	3.3
289.07144	1.0
291.08743	1.0
293.08105	1.5
295.05969	1.6
296.06790	0.4
297.07602	0.5
299.09277	1.2
301.07178	0.3
311.09161	4.2
313.07022	4.2
325.06982	4.3
362.02060	0.4
368.15036	1.7
395.11279	1.3
431.11295	1.3
437.12357	1.0
447.10931	1.0
449.12427	1.1
465.11673	2.6
487.05139	0.4
488.05386	0.9
492.79309	0.3
589.17145	1.3
601.17059	7.2
602.17316	0.3
658.22748	32.3
659.23303	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
51.29491	0.3
52.59370	0.3
53.03934	0.8
53.73123	0.3
55.01866	0.6
55.05505	3.6
57.03421	0.9
57.07059	1.0
61.02915	0.4
63.90724	0.3
67.05167	0.5
67.05500	6.1
69.03423	3.8
69.06721	0.5
69.07065	7.1
70.06594	0.4
71.04976	1.2
71.08613	0.5
71.22787	0.6
79.01845	1.8
79.05487	3.4
80.49107	0.3
81.02985	0.4
81.03419	6.4
81.07054	16.9
82.07349	0.4
83.04948	0.3
83.08607	4.1
85.02897	5.5
85.06534	1.2
86.09735	0.3
91.05476	2.7
93.07035	4.4
95.04970	1.5
95.08601	20.1
97.02897	4.2
97.06514	0.8
97.10163	4.0
99.04447	1.2
99.08086	1.3
105.07047	2.9
107.01286	0.9
107.04943	1.3
107.08585	4.6
109.02878	5.4
109.06503	0.7
109.10153	10.4
111.04418	0.8
111.08067	1.7
111.11717	2.1
115.02531	0.3
115.05408	0.4
117.03406	0.4
117.06975	0.4
119.04953	0.5
119.08547	2.8
121.06522	0.4
121.10111	3.6
123.04429	3.2
123.11704	5.7
125.02324	3.4
125.09618	1.1
125.13240	0.5
127.03909	6.0
131.08549	1.1
133.06483	0.6
133.10121	2.0
135.08089	0.4
135.11713	2.9
137.05940	0.6
137.09575	0.9
137.13222	2.5
139.03909	1.0
139.11176	1.5
143.03387	4.8
143.10686	0.7
145.02835	0.7
145.04973	0.7
145.10104	1.3
147.04390	1.5
147.08060	0.5
147.11678	2.3
149.05978	0.6
149.09622	0.6
149.13248	2.6
151.03882	0.6
151.07568	0.5
151.11179	0.9
151.14810	5.2
153.01819	100.0
153.12717	0.6
154.02147	1.1
157.10138	0.5
157.12225	1.5
159.11699	1.5
161.05952	0.5
161.09576	0.5
161.13287	2.0
162.62880	0.3
163.03868	0.7
163.07538	0.4
163.11113	0.6
163.14809	1.0
165.09093	0.7
165.12752	1.1
165.16383	1.3
167.07010	2.6
169.10158	0.3
169.12268	0.7
171.02887	10.1
171.04277	0.3
173.13208	0.7
175.14732	1.8
177.05473	1.3
177.12730	0.4
177.16388	0.9
179.14294	1.3
179.17981	0.4
183.13712	0.8
187.13322	0.8
187.14832	0.4
189.05516	0.4
189.16286	0.7
191.07071	1.3
191.17891	0.6
193.12231	0.7
193.15866	0.8
197.15388	1.2
201.16394	0.5
207.17525	0.6
211.13196	0.4
211.16953	0.7
213.03883	0.4
213.18483	0.6
215.17976	1.0
219.17365	0.6
223.16882	0.6
233.18921	1.0
237.18556	1.2
239.19879	0.3
243.57486	0.4
251.20073	1.1
271.06006	0.5
271.24142	1.6
277.25259	0.6
279.04834	0.6
285.06094	0.4
289.25275	3.6
295.26389	0.5
297.05933	4.2
307.12665	0.3
307.23657	0.2
307.26306	9.8
315.07077	19.3
316.07224	0.6
325.27402	2.7
329.10120	1.3
345.06247	0.5
367.22354	0.4
369.28067	0.4
397.27487	0.4
415.28229	2.3
432.27640	0.3
433.29678	1.0
441.26053	0.7
459.27234	0.8
477.28479	1.0
495.29547	0.7
603.31519	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.3
55.01870	23.9
55.05511	40.7
57.03177	3.9
57.03438	35.5
57.07069	7.2
58.67894	2.4
59.05000	3.7
61.02920	5.6
65.03928	4.1
67.05503	99.5
69.03069	3.9
69.03425	40.7
69.07065	25.5
70.79536	7.0
71.01331	2.9
71.05003	18.4
72.05386	2.4
73.02917	13.6
73.30692	2.6
79.05486	54.3
80.05854	2.6
81.03412	72.1
81.07053	100.0
83.04978	40.0
83.08616	28.7
85.02898	26.8
85.06541	9.3
87.04469	5.1
91.05478	52.0
93.07040	61.5
95.04968	28.7
95.08607	33.7
97.02898	24.7
97.06537	18.9
97.10157	17.7
99.04450	10.8
99.08069	3.7
101.02364	2.8
101.06009	2.7
105.07029	26.4
107.04945	12.9
107.08595	41.9
109.02892	7.2
109.06503	7.4
109.10159	35.4
111.04442	13.7
111.08077	11.4
113.06016	2.7
115.03928	3.3
116.04704	13.2
117.07015	18.1
119.08598	27.7
121.06512	6.7
121.10143	23.4
123.04453	4.0
123.08080	8.1
123.11703	7.7
125.06069	2.4
125.09625	19.3
127.03935	16.4
129.05481	43.6
129.06995	9.8
129.58406	2.3
131.03398	2.6
131.08551	22.8
131.97055	2.3
133.06526	3.2
133.10112	22.5
135.04442	5.2
135.08014	6.5
135.11700	13.9
137.09613	4.8
139.35394	2.6
141.06906	2.4
143.07025	10.3
143.08539	5.9
143.76332	2.1
145.06551	2.5
145.10110	11.0
147.08084	3.7
147.11682	17.7
147.97417	2.5
149.06058	2.7
149.09615	6.8
149.13272	25.7
151.11174	3.3
153.01807	2.8
153.09131	2.4
155.08554	4.1
157.08606	16.3
157.10114	8.5
159.11697	17.8
161.09717	3.0
163.11162	9.6
165.12733	4.4
171.06535	4.1
171.10292	3.3
173.04437	10.7
173.09572	3.8
173.11737	10.2
175.11208	12.2
177.12744	9.9
181.04781	2.5
182.66049	2.7
183.11633	3.3
185.08011	2.7
185.11719	7.1
189.11182	4.9
191.10703	3.2
192.62662	2.7
193.12212	17.2
195.13789	19.2
197.13315	3.4
199.13322	6.7
200.13986	3.4
209.11729	6.3
211.13318	11.3
213.14835	3.2
217.07178	3.7
227.12770	9.0
229.14330	24.3
267.15945	14.2
269.17487	38.6
275.20139	3.4
283.15369	6.8
285.17017	6.9
301.16443	24.2
330.77145	2.5
339.18213	3.5
411.27188	3.7
413.21750	13.7
423.27444	48.8
429.21063	3.2
437.28937	4.3
459.27316	6.8
460.27643	27.6
461.29037	2.5
463.30438	6.7
477.28470	12.0
478.28629	10.3
495.29379	12.6
546.17047	2.6
621.33142	3.1
639.33710	18.0
657.33466	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	656.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.4
55.05259	1.2
55.05507	18.3
56.05822	0.8
57.03420	2.5
59.04983	0.8
61.02915	1.9
65.03935	0.8
67.05502	21.1
69.03418	4.6
69.07070	7.1
69.69740	5.5
71.04977	1.6
73.02896	1.3
78.85416	0.6
79.05056	1.3
79.05486	17.2
79.20987	0.7
80.05780	0.9
81.03413	5.6
81.07049	18.4
83.04973	3.3
83.08617	12.5
85.02915	3.8
85.06522	1.4
91.05472	17.9
91.47587	0.7
93.07036	11.1
94.07322	0.9
95.04980	4.0
95.08602	7.1
97.02885	2.7
97.06520	2.9
97.10170	21.5
103.05464	7.3
105.03400	1.0
105.07021	14.5
107.04940	3.4
107.08582	13.5
109.02933	1.3
109.06499	1.7
109.10152	6.1
111.08073	1.8
111.71021	0.7
115.05443	3.4
117.07011	26.3
119.08568	8.7
121.06492	1.3
121.10142	3.1
123.04430	0.9
123.08076	1.8
123.11713	0.9
123.43208	0.7
125.09624	20.7
128.06187	2.5
129.06998	11.8
131.04913	2.0
131.08565	18.2
133.06482	3.9
133.10123	3.2
135.08052	5.6
135.11685	1.9
137.09683	0.9
138.43871	0.7
139.03990	1.0
141.06987	5.8
142.07816	0.8
143.04872	1.1
143.08549	6.0
143.10677	1.6
145.06483	5.3
145.10162	5.9
147.08020	2.1
147.11656	2.1
149.09622	2.7
153.06975	1.5
153.09082	1.8
155.08543	5.4
157.06461	3.0
157.10143	3.2
159.08066	2.8
159.11716	2.5
161.09605	0.8
163.11105	1.6
167.08557	2.3
169.10143	5.8
171.08057	1.9
171.10301	1.3
171.11690	3.4
173.09464	0.9
173.11780	1.0
173.13187	1.6
175.11092	1.0
179.08441	0.9
183.08055	0.8
183.11732	1.7
185.09645	1.2
185.13264	2.1
187.11195	1.2
187.14816	6.5
189.11194	9.7
193.10280	0.8
195.11685	1.8
197.13246	7.7
199.11122	1.3
207.11659	0.9
213.12813	1.8
215.14305	27.2
216.14630	0.8
221.13361	1.1
223.11188	1.2
223.14687	1.0
227.12735	14.0
233.15359	1.4
237.12660	1.1
237.16586	0.7
241.12233	1.7
245.13776	1.7
251.14232	0.7
253.16060	1.2
255.13792	1.4
257.15359	1.2
269.15192	1.3
269.17755	1.1
271.16827	1.3
283.15469	1.5
287.11743	0.9
292.11868	0.7
295.96307	0.9
331.19540	0.7
339.23215	2.5
349.21609	3.3
357.24533	0.9
367.22620	7.9
385.23688	7.6
403.24722	2.9
413.21719	1.1
441.26349	51.4
442.26697	2.6
459.27383	100.0
460.27826	5.0
477.28384	15.1
639.33533	0.9
656.38605	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	2.4
53.03939	9.1
55.01860	6.1
55.05510	23.9
57.03439	12.1
65.03921	3.1
67.05499	58.1
69.03426	22.4
69.07059	14.8
71.01351	2.6
71.04989	45.1
74.79128	2.0
79.05489	46.8
81.03413	100.0
81.07055	88.5
83.04980	20.8
83.08614	23.0
85.02900	27.5
85.06532	10.4
91.05476	54.4
91.06011	4.1
93.07032	34.7
95.04958	33.5
95.08604	18.2
97.02905	18.9
97.06543	10.0
97.10174	8.5
99.04442	6.6
99.08064	3.2
104.17476	1.9
105.07030	41.0
107.04958	9.4
107.08590	25.1
109.02885	22.3
109.06528	13.3
109.10147	14.8
111.04443	13.9
111.08099	9.8
111.17111	2.0
113.05978	2.5
115.05472	2.7
117.07006	7.7
119.04903	3.0
119.08563	23.5
121.06493	6.9
121.10146	18.3
123.04414	7.0
123.08044	5.4
123.11689	10.6
125.05949	2.1
125.09602	6.1
127.03906	9.8
129.05489	2.8
129.06993	9.6
131.08549	16.1
133.06516	5.7
133.10127	28.9
135.04439	2.6
135.08051	3.1
135.11662	5.3
137.05971	3.2
137.09625	3.6
141.07021	2.8
142.07756	3.3
143.08591	3.8
145.10126	8.3
145.17305	2.4
145.57243	2.1
147.04410	5.8
147.08047	5.7
147.11681	20.5
149.09596	6.7
149.13231	8.7
151.03844	3.5
151.11180	9.2
153.01804	5.0
157.10123	12.3
159.11710	7.4
159.24268	2.8
163.11198	4.6
165.05493	2.1
165.12718	4.9
167.06984	2.6
169.10068	3.5
169.12299	2.6
171.11629	2.4
173.04494	9.1
173.09479	2.7
173.13168	2.6
175.11163	14.1
177.12750	3.7
183.13857	4.8
187.11336	2.2
187.13170	9.8
189.12743	3.8
193.12251	29.5
195.11932	2.0
195.13777	5.7
199.07478	2.1
211.13286	51.1
227.12779	5.4
235.13232	3.4
243.16005	2.8
249.14853	2.1
267.15869	17.0
269.17453	5.5
273.14740	2.7
285.16977	7.3
299.18463	3.4
301.14172	3.4
339.17838	6.2
343.22501	4.0
393.19250	2.2
395.20645	5.0
411.20035	2.7
413.21353	2.7
417.26303	4.1
435.27493	19.0
443.27679	3.6
451.30554	2.5
453.28494	16.7
461.28989	21.6
467.30322	9.1
479.29996	6.7
493.31604	3.2
509.31311	2.7
511.32712	12.9
561.30353	3.3
587.31958	2.8
605.32849	6.0
623.34222	16.9
637.35663	7.9
655.36884	52.2
670.60266	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.1
53.03937	8.6
55.01865	14.3
55.05260	1.9
55.05507	24.8
57.03434	17.1
57.07073	8.4
59.04990	1.5
61.02927	1.9
65.03926	3.8
67.05498	54.0
69.03072	1.9
69.03426	27.3
69.07052	12.0
70.06578	2.9
71.01334	4.5
71.04993	9.5
71.60491	1.8
73.02907	4.4
74.85579	1.0
79.05482	39.1
81.03408	100.0
81.07047	41.3
83.04967	22.2
83.08613	26.1
85.02897	23.6
85.06542	4.6
87.04465	2.4
91.05472	48.4
93.07034	30.2
95.04958	34.3
95.08592	20.2
97.02878	31.1
97.06516	8.2
97.10162	11.2
98.07312	2.4
99.04458	6.5
99.08085	3.2
101.02374	1.2
103.05441	2.0
105.07021	24.8
107.04947	17.5
107.08589	17.9
109.02875	13.1
109.06509	7.5
109.10143	17.3
110.07153	1.8
111.04428	10.6
111.08072	12.4
113.02377	1.0
113.06023	1.4
115.03918	5.9
115.05466	2.7
116.04705	1.3
117.07017	7.4
118.53231	1.1
119.04933	7.4
119.08566	21.4
120.05268	1.7
121.06477	7.3
121.10126	14.1
123.04412	6.3
123.08080	4.8
123.11715	5.5
125.02364	2.3
125.05978	2.3
125.09610	11.6
127.03896	9.1
127.07529	1.5
127.11198	2.9
128.06178	2.5
129.05458	3.5
129.06955	10.5
131.03307	1.1
131.04945	2.5
131.08559	16.0
133.06485	1.8
133.10098	14.5
135.04416	5.5
135.08075	3.1
135.11674	6.7
137.05949	2.4
137.09666	2.7
137.13229	1.3
139.03870	1.9
139.07509	1.7
139.11130	1.2
141.07007	2.2
142.07747	3.5
143.03391	3.5
143.08531	3.0
145.10132	9.2
147.03224	1.7
147.04390	25.0
147.08020	3.5
147.11674	19.9
148.04720	11.1
149.04950	3.6
149.09621	8.6
149.13240	2.2
151.03848	1.4
151.07480	1.5
151.11209	1.8
153.01814	7.0
153.05435	2.7
153.09163	1.9
153.12730	4.8
155.08463	2.0
157.10109	15.6
159.08066	1.1
159.11737	3.5
161.05998	1.4
161.09569	2.2
163.03906	2.4
163.07568	1.3
163.11182	10.3
165.05438	2.3
165.09068	1.9
165.12767	5.1
169.10167	1.8
171.06563	2.0
171.07961	1.3
171.11684	1.5
173.04425	6.0
173.09628	3.1
173.11745	3.5
173.13193	2.2
175.07671	1.5
175.11154	13.8
181.04980	1.7
181.12227	5.2
183.06577	1.6
184.07300	4.2
185.08014	1.6
185.09596	1.3
185.13211	1.2
187.11156	2.8
189.11205	3.9
191.10725	6.0
193.12228	45.1
199.05988	2.0
199.11188	1.7
199.13196	2.3
201.14951	1.9
203.10777	1.3
205.12238	2.3
209.11720	7.7
211.13240	48.5
217.14175	1.4
223.13300	3.1
227.12744	10.3
229.14345	8.5
231.13750	1.9
247.13263	1.6
249.14790	1.7
255.16020	1.5
265.14270	1.9
267.15857	11.5
271.13242	1.8
273.14819	2.4
283.15372	8.2
285.16953	7.3
289.14435	2.9
301.16498	3.3
307.15479	2.3
313.16437	2.0
325.16544	1.4
337.16254	2.2
353.16275	1.4
355.17679	2.4
409.18588	1.7
409.25885	2.1
411.19897	3.1
421.25909	8.3
427.19617	3.3
439.27032	6.9
446.68347	1.7
475.26868	6.9
493.27914	7.4
495.29620	2.0
511.28534	2.4
527.28430	1.3
582.11072	1.3
619.31116	1.8
637.32281	7.8
638.32581	1.3
655.32593	21.6
655.67157	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.6
53.03946	7.7
55.01868	13.8
55.05259	1.8
55.05511	26.4
57.03436	15.7
57.07074	8.2
59.04991	2.3
61.02917	1.2
65.03936	4.2
67.05499	55.9
69.03425	30.4
69.07064	13.0
69.32451	9.3
71.01337	3.5
71.04990	8.2
72.85352	0.8
73.02922	6.5
77.03909	1.0
79.05488	43.1
81.03411	100.0
81.07050	42.5
82.04200	1.6
83.04974	22.5
83.08614	23.0
85.02899	25.7
85.06537	4.1
87.04447	1.6
91.05475	41.8
93.07037	27.0
95.04963	35.7
95.08601	15.4
97.02890	31.6
97.03518	1.9
97.06509	9.2
97.10167	10.6
98.07351	1.0
98.21498	2.3
99.04429	7.1
99.08083	2.3
101.02351	1.1
101.05995	1.2
103.03958	1.0
103.05463	1.2
104.15845	0.8
105.07019	28.9
107.04949	16.7
107.08582	17.1
109.02193	1.5
109.02881	13.0
109.06516	5.6
109.10144	21.1
111.04440	13.9
111.08069	12.4
113.06020	2.1
115.03916	4.1
116.04694	1.1
117.05453	1.0
117.07029	7.9
119.04935	2.3
119.08585	19.7
121.02804	1.4
121.06483	6.6
121.10133	13.5
123.04440	7.3
123.08034	4.7
123.11711	4.3
125.02336	1.2
125.04902	0.9
125.05943	1.9
125.09612	11.0
127.03903	10.3
127.11193	2.8
128.06270	1.8
129.05470	4.0
129.06984	12.9
131.03383	1.4
131.04886	1.5
131.08566	14.1
133.06511	3.6
133.10118	14.0
135.04442	5.3
135.08064	4.3
135.11691	6.6
137.05983	2.5
137.09578	4.4
139.03857	2.1
139.11218	1.0
141.07037	1.5
142.07796	2.6
143.03407	4.1
143.08554	1.8
143.10669	1.0
145.04968	1.6
145.06459	1.8
145.10114	7.2
147.04402	3.2
147.08049	4.4
147.11671	17.3
149.05980	1.3
149.09618	10.6
149.13263	1.9
151.03882	1.2
151.11165	1.1
153.01801	14.8
153.05482	3.8
153.09122	1.1
153.12750	3.4
153.15579	0.9
155.08577	2.2
157.08821	1.0
157.10126	14.1
159.11705	2.6
161.05995	1.6
161.09605	1.9
163.03854	1.6
163.11166	10.8
165.05498	1.7
165.09183	1.3
165.12756	4.6
167.06982	1.0
169.10118	1.3
171.02879	1.6
171.06522	1.6
171.11752	2.2
173.04500	6.3
173.09599	3.2
173.11766	2.9
175.11179	13.2
177.05496	1.4
181.04956	1.3
181.12230	6.3
183.06502	1.2
187.11253	1.6
189.11255	4.2
189.12773	1.6
191.10667	6.0
193.12230	41.4
199.06026	4.2
199.09653	1.0
199.13245	2.0
201.14961	1.5
205.12292	1.6
207.13747	1.3
209.11662	7.6
210.12646	1.1
211.13271	49.3
217.06960	1.4
223.13327	3.1
227.12735	10.3
229.12341	1.5
229.14374	12.0
231.13885	1.5
235.13307	1.9
247.13245	1.5
249.14792	2.0
255.15900	1.6
265.14325	1.5
267.15912	15.5
273.14893	1.3
277.14297	1.3
283.15399	5.7
285.16949	9.5
289.14365	3.2
291.15833	1.0
301.16589	2.2
307.15533	2.1
313.16534	1.1
337.16669	1.5
353.15918	1.8
355.17810	1.7
393.19061	1.1
408.44504	1.0
409.25784	2.9
411.20224	2.7
421.25775	9.2
427.19604	2.6
427.27090	1.3
439.26938	10.8
440.27908	1.1
447.27106	1.0
457.25922	1.3
459.27344	1.3
475.26947	5.9
476.27893	1.1
477.28284	1.4
493.27750	7.9
495.29407	2.5
511.29053	1.5
513.85999	1.2
527.28656	1.3
591.30762	1.2
619.30896	1.5
637.32184	7.7
655.32355	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	655.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.4
55.01870	11.3
55.05510	23.5
57.03432	16.7
57.07067	6.8
59.05000	2.1
65.03932	2.5
67.05498	49.3
69.03074	2.1
69.03424	28.3
69.07062	11.0
71.01349	3.0
71.04991	12.9
71.61180	1.9
73.02908	5.5
76.72617	1.2
77.03957	1.3
79.05485	35.4
80.06264	1.3
81.03410	100.0
81.06575	2.4
81.07048	46.1
82.04198	1.4
83.01336	1.3
83.04977	23.2
83.08608	22.4
85.02423	1.6
85.02901	22.5
85.06548	3.7
87.04469	1.5
91.05471	39.0
93.07034	30.8
94.04134	1.3
95.01378	1.3
95.04002	1.3
95.04962	31.5
95.08604	19.3
97.02882	29.5
97.06528	9.1
97.10169	10.1
98.07294	1.7
98.09717	1.3
99.04459	7.1
99.08086	3.8
99.27525	1.1
101.02390	3.0
105.07019	28.3
107.04952	16.2
107.08588	16.2
109.02876	14.9
109.06506	8.6
109.10151	18.0
111.04426	14.0
111.08075	11.8
113.06031	1.9
115.03910	4.0
115.05434	1.8
117.06976	8.4
119.04964	2.9
119.07794	1.7
119.08579	23.5
121.06498	4.9
121.10148	14.4
123.04430	7.6
123.08068	4.5
123.11718	4.3
125.06008	2.2
125.09597	9.9
127.03914	10.3
127.11159	3.1
128.06248	1.6
129.05467	5.3
129.07005	12.9
130.63223	1.2
131.04984	1.6
131.08560	14.4
133.06496	4.4
133.10120	12.9
135.04387	3.6
135.08038	3.7
135.11713	7.0
137.05948	2.3
137.09583	3.9
139.03896	3.4
139.11125	1.2
142.07764	2.9
143.03447	1.6
143.08585	1.6
145.06471	1.8
145.10139	7.7
147.04440	3.4
147.08035	5.2
147.11679	18.1
147.45174	1.1
149.05899	1.4
149.09555	8.0
149.13269	1.7
151.03902	2.3
153.01859	2.3
153.05484	3.2
153.12743	4.1
155.08516	2.7
157.06696	1.3
157.08826	1.8
157.10100	10.4
159.07994	1.3
159.11690	3.5
161.05952	1.6
163.03903	2.0
163.07533	1.6
163.11168	10.7
165.05461	1.6
165.09016	1.8
165.12743	4.7
167.07034	2.4
167.10844	1.4
169.10036	1.5
171.08006	1.3
171.11650	2.2
173.04436	8.0
173.05769	1.4
173.09579	2.6
173.11728	3.9
173.13155	1.6
175.11166	11.5
177.12776	2.0
181.05142	1.2
181.12238	4.7
183.06555	2.0
183.11520	1.4
185.07980	1.9
185.09625	1.2
187.11496	1.4
187.13283	1.2
189.11261	4.6
189.12799	1.6
191.10678	5.5
193.12221	40.4
199.06009	3.3
199.13274	1.6
201.14813	1.3
209.11623	5.9
211.13263	47.3
211.15280	2.7
219.13739	1.6
223.13235	2.2
227.12733	10.9
229.14282	8.2
231.13866	1.8
249.14775	1.5
267.15820	11.4
283.15396	7.6
285.16959	9.1
289.14456	2.2
301.16422	3.5
325.16431	1.5
337.16437	2.2
347.91302	1.2
353.15894	1.3
355.17639	2.4
393.18655	1.1
411.20004	2.4
411.27325	1.5
421.25955	5.8
427.19485	3.2
435.27243	1.4
439.26932	7.9
461.28784	2.3
465.28571	2.3
475.26984	4.5
493.27808	7.4
495.29257	1.4
619.30939	1.9
621.32275	1.4
637.31226	6.3
638.32532	1.6
655.33118	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	655.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.6
52.31303	0.4
53.03939	3.1
53.11277	0.4
53.94548	0.4
54.36229	0.4
55.01870	1.5
55.05508	4.0
57.03438	3.1
59.04985	1.0
60.65367	0.4
65.03936	0.9
67.05495	6.8
69.03427	9.7
69.07057	1.5
70.28933	1.8
71.01353	0.6
71.04981	2.7
73.02917	1.0
75.04466	1.3
79.05487	15.1
81.03413	15.6
81.07052	7.8
83.04976	3.6
83.08614	1.8
85.02898	7.1
85.06539	0.7
87.04472	0.8
91.03934	0.6
91.05473	15.4
92.05819	0.5
93.07036	53.2
95.04951	5.6
95.08594	3.2
97.02876	5.6
97.06519	1.3
97.10168	0.9
99.04462	1.9
103.05440	3.2
105.07021	24.0
106.07837	0.8
106.20523	0.4
107.04958	1.8
107.08589	6.5
109.02879	4.8
109.06540	2.5
109.10146	2.1
110.60228	0.4
111.04427	2.7
111.08076	2.3
116.06236	0.7
117.06992	2.3
119.08574	22.9
121.06507	3.3
121.10135	99.6
122.10489	0.5
123.04426	1.0
123.08061	4.8
123.11698	1.8
125.09621	0.7
127.02385	0.5
127.03911	3.1
129.05470	2.0
129.06978	2.0
131.08560	9.5
133.06516	0.8
133.07619	1.4
133.10146	2.4
135.08025	0.8
135.11696	1.1
137.09625	1.0
139.07495	0.6
139.11176	1.8
145.04958	0.9
145.10109	1.2
147.04393	1.5
147.08052	1.0
147.11691	2.1
149.09608	100.0
151.11160	0.7
157.10135	1.3
159.11754	0.7
163.11198	0.8
163.37541	0.5
165.09082	2.3
167.10658	13.0
173.04503	0.8
173.11819	0.8
175.11188	1.1
177.05502	0.5
178.53305	0.5
188.26698	0.4
193.12192	1.9
209.11559	0.7
211.11456	0.5
211.13321	2.6
227.12766	0.9
229.14110	0.6
252.61923	0.5
267.15881	1.3
283.15350	1.1
285.03967	2.2
287.01620	1.1
293.13797	11.6
299.01819	0.8
311.14853	8.3
312.56122	0.6
313.03439	7.1
314.04111	1.3
315.01285	4.0
330.03638	7.9
345.06030	35.4
346.06226	0.6
439.26889	0.6
457.25034	0.5
461.28494	0.8
493.34979	1.6
583.31061	0.6
637.31738	0.6
655.35974	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	653.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14345	0.1
51.02370	0.2
53.03943	0.2
55.05532	0.1
57.03421	0.1
61.02929	0.1
65.03928	0.8
67.00581	0.1
67.05482	0.1
69.03429	0.7
70.13486	0.5
70.13775	0.1
71.04985	0.1
73.02911	0.1
81.03414	2.9
81.07067	0.2
85.02892	0.8
85.06545	0.2
91.05478	7.5
93.07027	0.2
95.04916	0.1
95.08604	0.2
97.02880	0.6
99.04448	0.3
100.60213	0.1
107.08578	0.3
109.02869	1.1
109.06506	0.1
109.10136	0.1
119.04937	20.3
120.05278	0.1
123.04406	0.2
125.09623	0.1
127.03908	0.3
135.08043	1.0
139.03960	0.2
147.04402	100.0
148.04730	0.6
153.01785	0.5
165.05466	5.0
241.07195	0.1
249.07437	0.1
285.22021	0.1
291.08621	4.3
303.23047	0.5
309.09680	2.7
313.03345	0.2
315.01181	0.1
321.24161	0.5
330.03647	0.1
345.06091	0.7
552.85138	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	653.3525
Annotation	Withanoside III
Peak:m/z	Relative Intensity
53.03929	11.7
55.01866	11.3
55.05514	38.9
57.03433	18.0
59.04994	3.0
65.03934	5.7
67.05500	84.2
69.03423	25.5
69.07055	18.2
71.04994	13.8
71.60608	4.0
73.02888	3.5
73.06535	4.1
79.05491	96.8
80.46339	2.9
81.03416	98.4
81.07056	80.1
83.04979	45.2
83.08616	27.1
85.02903	23.2
85.06542	4.1
85.45607	3.6
91.05474	95.1
93.07042	100.0
94.16875	2.7
95.04965	49.7
95.08607	36.4
97.02866	22.2
97.06511	10.0
97.10161	9.2
99.04440	7.7
103.05445	3.1
105.04517	3.7
105.07033	61.1
107.04951	20.0
107.08595	34.4
108.49497	2.5
109.02884	11.9
109.06527	16.4
109.10156	19.7
111.04436	14.8
111.08090	9.6
115.05441	4.0
117.06989	14.9
119.08571	45.9
121.06493	7.3
121.10134	17.1
123.04376	4.9
123.08078	7.2
125.09634	4.4
127.03903	12.2
127.07515	3.9
128.06195	5.6
129.05498	5.8
129.07010	37.3
131.08578	24.9
133.06477	7.1
133.10121	29.6
135.07976	3.5
135.11697	9.1
137.09561	4.2
139.03816	3.1
139.67334	2.7
142.07729	6.7
143.08571	18.1
145.06454	5.1
145.10104	19.6
147.04372	4.7
147.08034	10.8
147.11688	48.4
149.09593	7.3
149.13289	4.7
153.01808	4.3
155.08577	6.1
157.10112	17.9
159.08029	4.2
159.11688	5.5
161.09644	4.7
161.13235	9.6
163.11194	5.7
165.12828	3.8
167.08537	3.8
169.10130	4.1
171.11656	23.8
173.04462	4.7
173.09743	3.9
175.11145	18.3
181.12289	5.7
189.12718	13.8
191.10609	4.2
193.10573	5.6
193.12222	41.6
207.13773	29.2
211.13255	46.0
211.15033	2.3
225.14813	4.1
227.12782	6.5
241.15909	3.8
247.32109	3.6
249.14810	4.8
267.15958	34.3
269.15323	5.0
281.17480	93.8
285.16891	20.0
287.16422	7.7
355.17664	4.1
425.21555	5.8
429.21194	19.2
456.29922	3.7
463.07681	3.3
473.28909	90.5
491.30066	36.3
617.33008	4.7
635.34241	55.6
653.35193	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	652.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
54.79613	0.2
57.03398	0.7
61.02898	0.2
69.03422	7.6
70.87128	0.6
71.01326	0.3
71.04953	0.7
73.02915	1.2
78.69058	0.2
81.02988	0.2
81.03407	2.6
85.02899	6.3
85.42616	0.2
87.04430	0.3
91.24021	0.2
97.02840	0.8
99.04422	0.9
103.05431	0.4
108.04445	0.4
109.02880	1.3
112.93831	0.2
120.80422	0.2
127.03906	7.4
131.04886	0.4
145.04939	0.2
147.04355	0.7
149.08806	0.2
153.01811	0.9
157.02823	0.4
173.02287	0.4
175.03860	1.2
185.02303	0.7
187.03893	4.1
191.03311	0.5
201.01820	0.4
203.03375	2.2
213.01793	2.9
215.03380	3.9
216.03792	0.2
219.02914	0.4
229.01236	0.7
230.02072	0.3
231.02863	17.2
231.99884	0.2
232.03131	0.3
241.01305	2.5
247.02380	1.2
257.00742	0.8
259.02362	32.0
260.02747	0.8
262.48172	0.2
275.01874	1.7
276.02600	1.0
277.03409	100.0
278.03735	2.5
285.00330	0.6
303.01318	16.5
304.01672	0.3
321.02359	5.7
352.73956	0.2
357.06006	0.4
363.03436	3.9
381.04782	0.2
385.05655	1.2
411.03601	0.3
429.04221	0.8
447.05481	0.6
465.06631	12.5
466.06757	0.5
585.46686	0.2
604.08380	0.2
662.78430	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87909	2.3
53.03935	6.1
53.09986	2.4
55.01857	4.6
55.05507	24.0
57.03440	13.0
57.07084	4.0
60.11699	2.5
65.03950	2.8
67.05499	100.0
68.05843	3.3
69.03430	24.5
69.07066	12.6
71.04992	4.7
71.59589	2.3
75.23505	2.7
79.05492	29.3
81.02972	5.2
81.03417	53.4
81.07050	55.5
81.36623	2.4
83.04968	20.0
83.08617	11.6
85.02866	2.5
85.06527	4.4
91.05470	25.0
93.07044	32.2
93.27975	3.0
95.04967	11.9
95.08600	37.2
97.02898	17.2
97.06508	6.7
97.10172	15.5
99.04449	4.9
105.07040	20.3
107.04945	5.2
107.08581	26.2
109.02869	10.5
109.06527	5.1
109.10152	66.6
111.04439	8.1
111.08089	3.5
115.05450	4.0
117.07001	12.4
119.08578	25.3
121.06532	2.8
121.10154	12.2
123.04415	3.7
123.08090	4.4
123.11740	7.6
125.09609	13.1
127.03936	5.9
128.06259	3.8
129.05472	13.7
129.07014	5.6
131.08540	17.0
133.06483	3.0
133.10107	17.3
135.08049	6.4
135.11687	9.5
137.09665	5.5
143.08592	6.8
145.06470	3.8
145.10132	14.8
145.11168	2.8
147.11626	12.7
149.13277	5.4
155.08525	4.1
155.10599	3.3
157.10156	6.8
159.08072	4.5
159.11702	10.3
161.09642	3.2
161.13330	4.5
163.14890	3.1
169.10106	3.8
171.08052	3.4
171.11633	5.1
173.11760	23.2
173.13313	7.5
181.10065	5.3
185.13266	6.7
187.11194	4.8
187.14822	3.4
189.11246	12.9
189.12712	3.6
195.11784	3.4
197.13385	3.6
199.14873	4.9
201.12659	2.5
209.13367	3.0
225.12759	3.6
227.12756	19.1
229.14336	44.8
245.13702	5.3
259.20486	4.6
261.22153	7.0
277.21716	4.9
301.21640	4.2
319.22830	3.6
335.25806	11.4
337.27350	8.4
341.24796	3.4
345.24225	4.6
351.23148	6.7
369.24365	14.9
371.17035	7.5
373.18625	6.3
387.25269	8.1
405.26038	4.2
443.27805	4.4
461.29019	7.1
479.30096	5.9
489.35574	6.9
507.36594	3.9
597.37738	10.0
615.38556	10.2
633.39740	35.5
651.40662	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	651.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.3
55.01869	7.1
55.05511	24.9
57.03441	12.9
57.07071	6.0
59.04988	4.5
62.79663	2.6
65.03927	4.6
67.05502	100.0
69.03428	25.8
69.07060	18.2
69.50648	14.7
69.51077	9.2
71.04969	6.7
79.05497	29.3
81.03421	36.9
81.07053	51.1
83.04954	13.6
83.08624	13.6
85.02885	6.7
85.06551	4.8
86.52852	2.4
91.05477	24.1
93.07041	33.2
95.00026	2.4
95.04966	9.5
95.08594	33.6
97.02890	8.7
97.06537	4.7
97.10149	11.8
99.04468	3.2
99.08089	3.4
105.07021	21.3
107.04959	4.3
107.08602	18.7
109.02885	6.1
109.06493	6.4
109.10152	66.5
111.04425	9.6
111.08086	6.0
117.07038	13.7
119.08575	21.8
121.06488	4.2
121.10145	14.6
123.08089	6.0
123.11705	4.8
125.09641	8.9
127.03935	6.4
128.06232	3.0
129.05467	7.9
129.07043	7.9
131.05052	2.6
131.08554	18.0
133.06439	2.8
133.10136	14.4
135.08029	3.8
135.11703	10.8
137.09595	6.8
141.07024	2.5
143.08569	7.0
145.06467	5.5
145.10152	12.1
147.08084	3.1
147.11705	8.6
149.09526	3.0
149.13261	6.3
155.08463	3.7
155.10666	2.8
157.10139	7.1
158.05367	2.7
159.11716	9.5
161.13246	7.8
162.70555	2.6
163.11205	3.2
169.10118	6.6
171.11740	4.8
173.11752	22.0
173.13289	7.1
183.11739	6.6
184.07269	3.8
185.09703	4.4
187.14789	4.3
189.11188	6.8
191.10832	2.6
197.13139	3.9
199.14796	3.1
227.12767	9.4
229.14290	38.1
245.13815	3.9
299.14926	4.7
301.21545	5.9
303.23010	3.1
317.99936	2.7
335.25919	3.1
337.27325	3.8
351.23196	7.7
369.24200	12.1
371.17184	3.2
373.18646	5.7
387.25253	9.6
443.27969	3.6
461.28818	5.8
479.29874	5.5
489.35757	6.7
597.37775	6.4
615.39093	9.1
633.39771	32.0
634.40051	3.0
651.40942	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	651.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55886	1.7
53.03929	6.1
55.01860	3.8
55.05511	26.5
57.03432	12.4
57.07071	4.0
59.04987	2.4
62.92014	1.7
65.03942	4.5
67.05501	100.0
67.46312	1.7
67.59111	1.5
69.03424	24.7
69.07062	18.5
70.78806	3.2
70.79210	3.7
71.04971	6.8
71.08620	2.6
73.63921	1.7
75.15318	1.6
79.05489	31.8
81.03412	47.0
81.06580	3.0
81.07053	57.5
83.04969	21.5
83.08613	13.6
84.52303	1.8
85.02876	6.8
85.06513	3.5
91.05470	31.3
93.07039	33.7
95.04955	9.6
95.08601	40.2
97.02892	13.0
97.06506	3.1
97.10158	13.0
99.04447	6.2
105.07020	24.3
107.04951	3.2
107.07943	2.9
107.08590	23.8
109.02863	7.9
109.06518	4.1
109.10149	64.7
111.04427	6.5
111.08089	3.1
117.07020	13.3
119.08575	20.2
121.06489	2.1
121.10137	15.1
123.08032	2.3
123.11668	6.6
125.09615	10.1
127.03909	9.0
129.05470	9.9
129.06961	10.2
131.08574	16.6
133.06487	3.5
133.10114	11.8
133.21136	2.2
135.08005	4.3
135.11667	9.1
137.09590	6.2
137.13277	2.6
141.06966	3.0
142.07802	2.5
143.08514	9.2
145.06400	2.6
145.10085	10.3
147.08022	4.1
147.11710	9.5
149.09628	3.2
149.13229	4.9
151.07608	1.8
153.09062	2.5
155.08565	5.2
155.10567	2.6
157.10110	6.1
159.11688	12.8
159.72432	1.8
161.13200	6.6
168.09294	1.9
169.10062	3.7
170.10916	2.0
171.11690	6.4
173.11717	15.7
173.13222	6.9
175.11163	3.4
175.14825	2.4
177.12752	2.2
181.10077	1.9
183.11705	6.1
184.07303	4.4
185.09447	2.3
185.13248	4.2
187.14839	3.2
189.09647	1.9
189.11108	10.5
192.16240	1.8
195.11804	2.3
196.44344	2.0
197.13301	2.3
199.11333	2.2
199.14813	3.2
211.13269	1.9
215.14214	2.2
227.12637	13.4
229.14297	26.7
245.13780	4.2
259.20465	2.2
261.22180	5.6
263.23666	3.1
263.71420	1.9
277.21588	2.9
299.14819	4.5
301.21552	5.2
303.23340	2.2
315.23337	3.0
317.24521	3.4
335.25815	15.0
337.27292	11.4
351.23053	5.5
369.24213	11.3
371.17050	6.7
371.25397	2.7
373.18500	8.0
387.25150	6.9
405.26508	3.1
443.27625	4.3
461.28918	4.6
479.30801	3.5
489.35806	8.9
507.36954	3.5
597.37732	6.3
615.38739	6.8
633.39874	33.2
651.41101	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	651.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.5
55.01870	4.9
55.05508	28.9
57.03444	12.3
60.20343	2.0
65.03960	3.3
67.05503	100.0
69.03423	24.1
69.07066	19.9
69.35767	23.3
71.04978	6.7
73.02936	3.2
77.31028	1.9
79.05489	32.2
81.03419	48.5
81.07056	58.1
82.03722	2.2
83.04980	22.1
83.08615	14.1
83.48833	2.2
85.02905	6.1
85.06532	2.6
91.05484	23.8
93.07040	32.0
95.04938	10.0
95.08606	45.1
97.02888	17.5
97.06518	4.6
97.10165	16.8
99.04449	4.1
105.07045	22.0
107.04943	3.7
107.08599	23.1
109.02869	6.2
109.06502	4.5
109.10156	51.2
111.04412	5.0
111.08069	3.3
115.05438	2.3
117.06988	8.8
118.64005	2.0
119.08565	17.8
121.06528	2.6
121.10113	14.5
123.11703	8.6
125.09608	11.8
127.03907	6.8
129.05487	9.8
129.07010	6.3
131.08578	17.5
133.10081	12.5
135.08054	3.4
135.11719	10.3
137.09615	2.4
139.11176	3.2
141.06976	4.4
143.08553	7.2
145.10104	12.7
147.08078	2.6
147.11673	9.4
149.13255	5.0
157.10135	5.9
159.11690	6.8
161.09726	2.8
161.13272	4.7
163.14864	2.4
168.09306	2.5
169.10144	3.7
171.11742	3.7
173.09613	2.9
173.11720	12.0
173.13266	6.1
175.11230	2.7
181.10164	3.8
183.11632	2.1
185.13133	3.6
187.11263	3.0
189.11218	7.3
189.12741	2.8
197.13257	2.3
201.67673	2.1
207.11862	3.0
215.14375	2.6
221.13188	2.5
221.15373	2.3
227.12689	13.7
229.14369	26.3
230.64479	2.3
235.66479	2.5
245.13776	3.6
261.22165	7.1
263.23770	3.7
299.15070	3.3
301.21548	2.9
315.23209	2.7
319.22571	3.5
319.47263	2.7
335.25864	14.7
337.27396	7.5
345.24002	3.3
351.23206	4.8
369.24258	8.4
371.16962	6.9
373.18515	6.0
387.25314	5.2
405.26410	3.9
443.27762	3.9
461.28946	4.8
489.35468	9.1
507.36652	5.1
517.89746	2.4
597.37531	5.8
615.38623	7.4
633.40082	29.9
651.41388	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	649.4094
Annotation	Uncarinic acid A
Peak:m/z	Relative Intensity
53.03937	0.3
55.05500	1.7
57.07063	0.7
63.02372	0.4
65.03915	0.3
67.05497	2.6
68.64671	0.2
69.07057	2.8
69.56026	1.8
71.08628	0.2
77.03894	0.2
79.05485	1.9
80.97144	0.2
81.06577	0.3
81.07049	5.1
83.08611	1.8
89.03904	4.9
91.05458	2.5
93.07032	6.0
95.04970	0.4
95.08596	9.0
97.10155	0.5
99.08089	0.2
101.04194	0.2
102.18188	0.2
103.05442	0.6
105.07020	5.5
106.04121	0.4
107.08586	8.2
109.10146	6.9
111.04415	0.3
111.08045	0.3
111.11721	0.3
117.03366	13.1
117.07004	0.8
119.08561	8.3
121.10129	24.1
123.08054	0.8
123.11697	3.8
124.05164	0.4
125.06000	0.4
125.09693	0.2
127.11233	0.3
129.07005	0.3
131.08536	2.2
133.09094	0.5
133.10118	9.5
134.03574	1.1
134.38388	0.2
135.04410	2.4
135.08022	0.3
135.11670	9.9
135.89455	0.2
137.09595	0.4
137.13237	2.3
143.08557	1.1
145.02827	42.7
145.10094	5.2
146.03203	0.5
147.11673	4.9
149.05969	6.8
149.13246	3.9
151.11166	0.3
151.14816	0.6
153.05464	1.3
153.09074	0.2
155.08618	0.3
157.10115	1.3
158.05997	1.0
158.10902	0.4
159.11673	5.4
160.12549	0.3
160.16302	0.2
161.13237	5.9
162.03053	0.3
163.03885	2.1
163.11162	1.1
163.14806	3.9
169.10081	0.4
171.11632	1.2
173.13248	4.7
174.13982	0.3
175.14828	5.6
177.05449	100.0
177.16373	3.4
178.05833	1.1
179.14296	8.3
183.11655	0.7
185.13199	1.2
186.05467	3.8
187.14803	6.5
189.05084	0.2
189.16365	5.2
189.19211	0.2
191.17958	1.6
193.15845	2.6
195.06505	19.4
195.17419	0.3
197.13255	0.6
199.14778	1.0
201.16342	3.5
203.17931	6.3
205.12169	0.3
205.15837	1.6
205.19461	0.3
207.13748	0.5
207.17378	0.4
211.14751	0.3
213.12854	0.3
213.16362	2.2
214.16998	0.2
215.17920	4.5
217.19470	1.2
219.13774	0.5
219.17365	0.4
221.15321	0.3
221.19016	0.2
223.16956	0.3
225.16437	0.5
227.17960	1.6
229.19481	11.4
229.57748	0.2
231.13683	0.5
231.21080	2.5
233.18968	0.2
235.16821	0.4
239.17918	0.6
241.19492	2.2
243.21077	1.9
247.17021	0.4
249.18475	0.4
253.19485	0.9
255.21124	1.2
257.22638	0.6
259.20566	0.3
261.18414	1.1
265.19376	0.3
267.21014	0.9
269.22534	0.3
271.24066	0.5
275.20074	3.8
281.22589	0.7
283.23999	0.3
285.18399	0.2
287.19992	0.4
289.21536	0.4
293.22568	0.3
295.24075	0.6
297.25702	0.3
299.20056	0.5
301.21487	0.6
307.24136	0.5
311.27432	0.3
315.22906	0.3
321.25681	0.6
327.23199	0.4
329.24625	0.3
335.27283	0.3
351.30307	1.0
355.26056	0.4
379.29962	0.3
391.33548	5.1
397.31000	2.0
409.34610	8.4
411.32333	0.7
419.32983	0.4
427.35687	1.7
437.34094	5.6
455.29013	0.4
455.35184	6.7
496.37512	1.0
631.39844	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	649.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48536	4.1
53.03930	10.8
55.01875	6.1
55.05501	26.6
57.03438	9.2
65.03928	4.4
67.05499	67.1
69.03429	22.2
69.07066	14.1
71.05014	7.3
73.06553	5.3
76.28788	3.8
79.05482	100.0
81.03402	42.7
81.07054	62.3
83.04985	27.8
83.08598	14.6
85.02900	12.8
85.64752	3.8
87.77925	3.9
88.59014	4.0
91.05476	92.7
93.07037	97.7
95.04978	34.9
95.08585	36.9
97.02892	6.6
97.06519	10.4
97.10158	5.8
98.20782	10.3
99.04455	5.0
99.08112	4.3
105.07024	67.9
107.04943	20.7
107.08578	25.4
108.72163	4.3
109.02853	9.7
109.06511	15.3
109.10142	12.5
109.68903	4.4
111.08086	5.2
115.05465	5.0
117.06993	27.1
119.08566	36.0
121.06464	7.6
121.10158	13.6
122.03712	3.9
123.08057	5.7
127.03911	7.9
128.06206	8.6
129.06992	33.1
129.23387	3.6
131.08577	21.8
133.06491	5.2
133.10115	17.6
135.08080	7.3
137.09608	7.9
141.06975	5.0
143.08571	22.5
145.06474	7.7
145.10117	17.2
147.08064	7.0
147.11682	46.3
155.08539	10.4
157.06441	7.1
157.51572	3.9
159.08057	10.6
159.11667	8.0
161.09569	5.8
161.13271	16.1
163.11205	5.4
167.08537	4.9
171.08002	4.7
171.11690	40.9
173.04480	10.4
185.13249	6.5
189.12714	18.5
192.86401	4.4
193.04922	4.4
195.11746	5.2
200.00053	4.2
207.13815	32.2
223.14818	6.5
225.14793	6.3
228.23221	6.0
241.15897	6.3
251.14487	5.9
269.15286	11.7
281.17456	67.7
287.16388	15.1
305.17346	5.4
361.19742	6.2
425.21783	9.9
487.30600	64.3
549.31976	4.8
567.33942	7.8
631.34131	12.3
649.37067	9.5
649.51764	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	649.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.2
51.02377	0.5
53.03942	0.4
54.35762	0.2
55.01871	0.6
55.05510	1.3
57.03409	0.2
57.07066	0.5
59.04991	0.2
65.03933	0.8
65.16573	0.2
67.05170	0.2
67.05504	2.8
68.99766	0.9
69.03419	0.5
69.06721	0.2
69.07064	2.7
69.45810	1.8
71.04989	0.4
72.79646	0.2
77.03926	0.6
79.05490	1.2
81.03413	0.3
81.06575	0.4
81.07056	7.6
83.04980	0.9
83.08630	0.9
85.02885	0.2
85.06522	0.6
91.05460	0.8
93.03408	0.5
93.07038	3.2
95.04971	1.6
95.08600	6.0
96.31475	0.2
97.02879	0.3
97.06519	0.8
97.10164	1.6
99.08070	0.3
102.96597	0.2
103.05472	0.2
105.03378	0.6
105.07002	1.0
107.04929	0.4
107.08586	3.7
109.06512	0.3
109.10146	2.4
110.10535	0.2
111.00796	1.0
111.04443	2.1
111.08071	1.2
111.11703	0.6
115.05443	0.2
117.03372	0.3
119.04924	0.4
119.08566	1.0
121.10125	2.3
123.04420	100.0
123.11691	5.3
124.04750	1.1
125.09592	0.4
127.03899	0.6
131.08563	0.3
133.10136	0.9
135.04411	0.8
135.11711	1.2
137.05914	1.1
137.09714	0.2
137.13234	2.2
139.03893	79.2
139.11162	1.1
140.04224	0.6
141.04414	0.2
141.12802	0.2
143.08586	0.2
143.10645	0.3
145.02827	0.2
145.06479	0.4
145.10049	0.4
147.04401	4.3
147.11658	1.0
149.05972	0.3
149.13254	4.8
151.03891	7.0
151.11235	0.3
153.01843	1.0
153.05469	0.5
153.12723	0.6
155.08415	0.2
155.14279	0.5
157.10136	0.2
157.12280	1.3
159.11659	0.4
161.05959	0.7
161.09604	0.2
161.13243	0.7
163.03911	1.4
163.07576	0.8
163.11168	0.4
163.14813	0.8
165.05490	0.6
165.12796	0.2
166.06381	0.2
167.07045	0.2
167.14328	0.3
171.13791	0.2
175.07547	0.2
175.11156	0.2
175.14740	0.2
177.05435	0.7
177.16406	0.2
187.07541	0.3
187.13258	1.8
189.05473	1.2
189.16339	0.3
191.03406	0.2
193.85387	0.2
199.07556	0.4
201.16556	0.2
203.12811	0.9
203.17848	0.2
209.15015	0.2
213.05530	0.2
215.17867	0.2
223.16959	0.2
227.07111	0.4
229.12418	0.2
231.06519	0.3
235.20557	0.4
237.18489	0.3
245.04510	0.6
250.59845	0.2
253.21585	0.4
255.06534	0.6
269.22504	0.2
271.05960	0.3
273.07553	20.7
274.07849	0.4
277.25235	0.4
285.07504	3.4
287.23657	0.8
291.08643	1.6
293.24677	1.9
303.23047	0.3
305.24741	7.8
306.25180	0.3
311.25739	0.5
315.16400	0.2
321.16714	0.2
323.21960	0.4
323.25775	7.1
329.26706	0.5
341.26907	1.2
359.27805	0.8
397.22537	0.5
439.28381	0.4
443.27551	0.3
457.29251	0.8
461.28989	0.4
475.30359	0.6
493.31378	0.5
577.31342	0.6
595.32458	0.4
613.33459	0.4
631.34198	0.3
649.36914	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24262	0.7
53.03935	1.0
54.55214	0.6
55.01875	0.9
55.05499	1.9
57.03402	0.9
65.00614	0.8
67.05492	3.4
68.99773	0.9
69.07063	3.8
70.09773	3.8
70.10152	1.4
79.05476	1.7
81.03368	1.1
81.07056	9.8
83.05019	1.6
83.08630	0.7
85.02923	1.8
91.05476	2.0
93.07035	4.4
95.04961	3.9
95.08588	7.4
97.02852	2.0
97.06467	0.8
97.10174	1.5
98.20805	1.1
105.03378	1.3
105.07035	2.9
107.04938	1.0
107.08566	4.7
109.06516	0.9
109.10149	3.7
111.00830	1.0
111.04443	2.3
111.08098	0.9
117.06998	0.8
119.04942	0.9
119.08556	2.5
121.10114	2.9
123.04423	100.0
123.11694	5.6
124.04764	3.7
127.03934	1.5
133.10112	2.3
135.04382	2.2
135.11726	2.0
137.05952	1.9
137.13216	1.7
139.03893	75.7
139.11198	0.9
140.04204	2.3
145.02905	0.9
145.04919	0.8
145.09981	0.8
147.04401	8.1
147.11664	1.4
149.05978	1.0
149.13255	4.6
151.03912	6.3
153.01828	3.2
153.05504	1.0
157.12326	1.0
161.05946	0.8
163.03873	1.5
163.07541	1.1
163.14856	1.3
165.05515	1.2
165.91957	0.9
167.07024	0.9
169.12317	0.9
177.05467	3.4
187.13318	1.6
189.05513	1.4
213.08958	0.7
273.07562	21.6
274.07928	1.3
285.07483	2.2
291.08698	1.3
293.24747	2.0
305.24719	9.3
307.26056	0.8
311.25552	0.9
323.25833	5.9
326.81281	0.8
341.26883	1.1
359.27731	1.1
397.22592	1.3
649.34503	1.0
660.66583	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.0
53.03945	0.8
55.01866	0.8
55.05494	2.1
65.03935	0.7
67.05495	3.4
68.99780	1.3
69.03407	2.2
69.07061	3.7
71.04990	0.5
71.60590	0.8
79.05484	1.3
81.03406	1.4
81.07051	7.0
83.04946	1.0
85.02900	1.5
85.06521	0.8
86.09724	0.5
89.03902	0.7
91.05457	2.0
93.07037	3.0
95.04955	2.1
95.08602	5.3
97.02868	1.0
97.06531	0.6
97.10159	4.1
105.03373	0.5
105.07027	2.3
107.04938	0.8
107.08578	2.3
109.02800	0.8
109.06528	0.7
109.10136	2.3
111.00780	0.8
111.04447	2.4
111.08095	0.7
111.11692	1.1
117.03381	2.1
119.04928	3.0
119.08554	1.5
121.06435	0.6
121.10139	2.5
123.04418	100.0
123.11691	4.4
124.04742	1.5
127.03889	1.1
131.04832	0.6
131.08533	0.8
133.10057	1.2
135.04436	0.9
135.11673	1.8
137.05977	1.8
137.09607	0.9
137.13232	0.9
138.09135	0.8
139.03891	76.9
139.11156	2.4
140.04231	1.7
141.09071	0.5
143.10663	1.3
145.02827	5.3
145.10103	1.1
147.04396	15.8
147.11682	1.8
148.04761	1.0
149.05963	0.7
149.13229	0.7
150.09273	0.5
151.03896	7.1
153.01834	2.3
153.12688	0.8
157.12231	1.7
159.11719	1.1
161.05972	0.8
161.09543	0.8
161.13290	0.7
162.39113	0.5
163.03831	1.6
163.07526	1.1
165.05496	1.0
165.12805	1.3
166.08641	0.6
167.06981	1.3
175.14783	0.8
177.05453	12.1
184.07338	0.7
189.05458	1.2
192.83992	0.5
195.98494	0.5
199.07510	0.5
199.11255	0.5
228.10338	0.5
231.06509	0.5
251.16412	1.0
273.07550	21.7
273.10535	1.1
274.07693	0.8
280.11569	0.8
285.07544	2.0
291.08728	2.2
291.23151	0.7
298.12589	0.7
303.23117	3.6
309.24100	0.8
321.24197	8.6
339.25381	2.5
413.30508	0.7
431.31189	1.3
450.19556	0.6
451.20309	0.7
455.27890	1.5
473.29047	1.6
492.20459	0.6
524.22998	0.6
593.31036	0.6
615.26978	1.7
647.39868	0.6
669.91376	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90950	0.7
51.02341	0.6
53.03935	1.6
55.05510	6.5
57.03433	7.2
57.07067	1.4
59.12096	0.7
61.02918	1.6
65.03944	1.0
67.05502	26.2
69.03426	0.7
69.07063	7.6
70.31840	0.7
71.01357	1.1
71.04972	2.4
73.02901	0.6
77.03965	0.6
79.05489	18.1
81.03411	3.4
81.07052	28.3
83.04976	3.5
83.08614	4.8
85.02894	2.6
85.06534	2.8
86.87209	0.6
91.03915	1.1
91.05473	9.2
93.07037	28.9
95.04943	3.4
95.08598	6.3
97.02893	1.6
97.06537	6.1
97.10156	4.8
99.08087	1.2
105.07021	2.8
107.08592	19.9
109.06493	0.9
109.10153	3.0
111.08081	2.3
117.07004	3.5
119.08569	3.2
121.06544	1.0
121.10138	5.4
122.71880	0.7
123.11755	1.1
125.09622	1.0
130.07529	0.6
131.08554	2.7
133.10121	5.8
135.08009	1.2
135.11685	23.2
145.10114	3.8
147.11604	0.6
149.13237	6.0
153.12758	1.1
159.11705	3.1
163.11200	2.4
166.83665	0.6
177.12761	1.0
181.12215	3.3
184.07333	1.0
195.13841	3.8
202.28864	0.6
255.15900	27.4
256.53207	0.7
269.17453	17.1
269.20178	1.2
431.28595	0.9
449.28967	100.0
450.29184	2.7
595.47913	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61458	0.3
53.03934	1.1
55.01874	0.4
55.05513	3.8
57.03422	0.7
57.07075	14.9
62.06075	0.7
67.05169	0.6
67.05505	7.7
67.58183	0.4
69.03407	0.6
69.07069	3.8
70.87040	1.1
71.04998	0.6
71.08633	10.5
79.05486	4.1
81.03415	30.9
81.07055	9.1
83.04984	0.9
83.08618	8.7
85.10184	5.0
91.05481	6.1
93.07021	2.4
95.03992	0.4
95.04970	8.2
95.08603	10.4
97.02891	0.9
97.06532	0.4
97.10165	2.6
98.98491	0.4
105.07024	3.8
107.04946	2.3
107.08579	0.9
109.06529	0.9
109.10144	3.8
111.04437	0.6
111.08084	1.5
111.11694	0.6
117.06997	0.5
119.08582	4.3
121.06498	1.2
121.10133	1.4
123.08084	0.6
123.11700	1.4
124.01646	0.4
129.07002	3.2
131.08528	2.6
133.06480	1.2
133.10143	1.1
142.07788	1.0
145.60197	0.4
147.08054	1.2
147.11705	2.1
149.09621	1.2
157.10109	2.9
175.11183	2.9
187.14806	0.3
193.12233	5.6
236.16446	4.1
239.23714	1.5
249.14932	1.6
267.15915	1.2
282.27917	1.3
291.22940	0.5
313.27487	1.5
321.41968	0.4
420.94681	0.5
488.37393	0.4
505.38870	100.0
506.39322	4.1
548.40503	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
53.87489	0.5
55.01855	1.8
55.05305	0.5
55.05507	5.1
55.99824	0.6
57.03432	7.9
57.07067	1.0
61.02914	2.3
65.03925	1.4
67.05501	29.7
69.03413	0.7
69.07065	9.5
71.01334	2.0
71.04999	2.6
71.59802	0.5
71.60309	1.1
73.02905	1.2
79.05489	21.7
81.03416	2.9
81.07052	29.0
82.07370	0.7
83.04979	3.7
83.08618	6.0
85.02898	3.2
85.06521	1.6
91.03955	1.6
91.05479	9.7
93.07038	31.9
95.04952	2.9
95.08589	7.7
97.02882	2.2
97.06534	6.7
97.10158	5.1
99.04467	1.0
99.08072	1.8
105.07025	3.9
105.47215	0.5
107.04939	0.7
107.07854	1.2
107.08586	20.0
109.06499	1.4
109.10147	3.1
110.29074	0.5
111.08051	2.8
113.09676	0.7
117.07037	4.2
119.08578	3.1
121.06487	1.2
121.10129	7.7
125.05989	0.8
125.09607	0.6
127.03927	0.9
131.08583	2.9
133.10109	3.8
135.11687	20.4
139.11127	0.9
145.10109	3.7
147.11674	0.8
149.13245	10.3
153.12695	0.7
159.11699	5.4
163.11128	2.8
177.12708	1.2
181.12202	3.6
195.13779	2.5
199.13348	0.8
221.54012	0.6
232.29216	0.6
255.15892	27.0
269.17468	25.4
392.02072	0.5
449.28961	100.0
450.29361	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.7
55.05489	0.7
56.30081	0.2
58.06595	1.4
61.85701	0.2
65.03918	1.2
67.05499	3.5
68.05011	0.3
69.07069	2.0
72.08139	1.3
79.05466	0.9
81.03411	3.0
81.07050	2.5
83.04964	1.0
84.04482	1.0
84.08137	4.4
91.05470	8.6
93.07018	0.8
95.04958	2.0
95.08563	0.7
96.04509	0.6
97.10156	0.4
98.06030	0.7
98.09675	0.6
102.57330	0.2
105.07010	0.6
107.08585	0.8
109.06482	0.4
109.10160	0.7
109.41689	0.2
110.06025	0.7
110.09655	0.3
112.11237	13.9
119.04930	21.7
121.01733	0.2
121.10136	0.3
123.11692	0.9
124.07582	0.9
129.13870	11.6
133.10115	0.8
144.35838	0.2
147.04399	87.4
148.04710	0.4
151.11169	4.2
155.11798	1.5
180.13815	6.5
197.51709	0.3
203.11775	2.7
204.10191	45.1
205.10551	0.7
207.18530	2.5
208.16954	40.2
209.17329	1.1
218.11824	0.7
275.17523	12.3
276.17868	0.3
279.24298	12.0
280.24716	0.4
281.49820	0.3
302.62363	0.3
304.32007	0.3
334.85782	0.3
352.78824	0.2
353.32837	0.5
400.14313	0.3
425.28091	0.7
429.93204	0.2
442.30688	0.4
481.35284	2.8
499.36478	8.5
500.36707	0.4
556.09503	0.3
627.38177	0.3
628.37659	0.5
631.76898	0.3
635.44080	0.2
645.40057	100.0
646.40527	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	645.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
53.61843	1.6
55.01869	3.4
55.05507	3.9
67.05502	10.1
69.03454	2.5
69.07062	7.0
79.05497	6.9
81.03429	2.4
81.07052	19.0
83.04992	2.8
83.08607	3.8
84.08128	3.8
85.02890	4.4
85.06532	3.0
91.05467	8.6
93.07037	13.8
94.06565	4.4
95.04958	6.0
95.07349	4.0
95.08601	12.2
96.08118	12.0
97.02915	2.1
97.06521	1.9
103.05449	2.8
105.07040	8.1
106.06519	3.0
107.04956	3.1
107.08581	12.8
108.08101	14.3
109.06540	2.5
109.10156	11.2
110.09694	16.7
111.04464	3.9
111.08083	2.5
111.42973	1.7
112.11211	1.9
112.90968	1.3
117.07022	3.1
119.04933	7.2
119.08600	8.1
120.04449	4.2
120.08102	14.2
121.06499	2.0
121.10129	9.2
122.06026	7.6
123.04418	21.5
123.08112	1.8
123.11701	3.6
124.07545	7.4
125.05983	3.5
125.09592	2.3
127.03896	2.0
129.13869	2.1
131.08540	3.0
133.10118	7.1
135.04451	3.3
135.11703	5.4
136.07564	29.2
137.05968	3.2
137.09634	2.4
137.13240	2.3
138.09140	24.0
139.03885	12.8
144.04443	4.0
145.10147	4.1
146.06012	6.5
147.04417	26.9
147.11726	5.7
148.07550	15.2
149.09676	1.7
149.13246	11.8
150.09126	4.6
151.03931	7.1
152.07066	13.6
153.01839	4.2
159.11650	2.1
161.06000	2.9
161.09604	2.2
162.05524	4.6
163.03943	5.4
164.07059	5.8
165.05473	7.7
166.08635	37.4
166.09935	3.1
167.07007	9.5
169.10007	2.1
172.03929	19.2
175.14842	16.1
176.07089	3.1
177.05469	4.8
177.16394	15.8
179.07065	2.2
179.85422	1.7
180.10179	2.4
181.04935	5.5
182.08073	1.9
184.07381	2.0
187.07521	1.6
189.05475	3.2
190.04991	14.2
191.07030	6.3
193.04938	1.8
193.15813	2.4
197.10738	2.8
198.11513	3.7
201.09120	2.6
203.06972	2.9
203.17972	1.9
204.06563	26.4
204.10234	7.3
205.08643	2.8
207.06499	2.6
210.11540	5.7
211.12250	7.8
212.13095	1.8
217.08641	3.3
217.15919	1.9
219.10138	3.0
221.10890	2.0
223.12254	7.7
225.10149	8.2
225.13823	2.0
226.11003	5.8
227.11732	5.1
231.10252	2.4
235.08653	2.8
237.10181	9.7
237.13959	2.4
238.10971	8.7
239.11816	13.0
243.09996	1.8
248.09445	2.3
249.10242	8.3
250.11041	5.3
251.11839	17.6
252.09526	1.7
252.12521	3.6
253.09694	2.6
253.13403	6.4
255.11266	4.3
255.13779	2.8
256.11945	4.1
257.12018	3.3
262.11026	3.4
263.08719	2.5
263.11713	20.3
264.08844	5.6
264.12607	4.6
265.09805	8.8
265.13297	10.6
266.10526	5.6
267.11322	16.1
268.12109	2.4
269.12842	7.1
271.10941	1.5
271.14572	7.8
273.12424	3.7
277.09705	2.6
277.13531	2.2
278.10495	5.7
279.11261	32.0
280.08945	1.7
280.12061	6.5
281.12747	10.6
282.10022	3.6
282.13388	1.9
283.10806	7.2
284.11465	11.0
285.09528	3.2
285.12341	40.2
287.13754	3.0
289.15491	2.4
291.11292	15.2
292.12054	5.0
293.12799	14.5
295.10831	4.3
295.17035	3.7
296.11530	7.0
297.12305	53.8
298.12875	4.5
299.13907	6.6
303.08554	4.7
309.12250	22.7
310.13116	6.0
311.10144	4.2
311.13538	3.3
313.12164	3.4
313.17966	27.0
315.13483	2.1
319.10696	13.1
321.12262	15.8
323.10223	11.7
325.11792	23.4
326.12415	1.8
327.13263	11.3
331.19043	33.8
331.22723	1.6
337.11801	51.3
338.12314	2.8
339.13443	5.9
341.10999	2.4
343.12820	6.1
346.19037	2.1
354.20816	2.0
355.12595	2.4
357.14508	8.5
369.14575	4.4
372.21115	2.6
373.13623	2.1
374.18903	2.4
376.20297	2.6
385.13824	3.7
392.19818	5.0
399.15454	1.9
399.28723	2.0
402.18002	3.4
403.18979	1.7
404.19730	3.6
411.28833	5.5
416.19379	2.4
418.17392	2.8
420.19009	3.5
421.20297	2.1
422.20471	3.3
429.30008	13.5
430.17548	14.3
431.18115	2.0
432.19125	8.2
442.17407	2.3
444.19177	3.4
446.20679	5.6
447.21326	2.8
447.30978	16.1
448.18640	35.7
449.19373	25.8
450.20172	26.8
460.18726	25.3
462.20013	5.8
465.22546	12.8
465.32278	4.2
472.18600	3.5
473.18570	2.4
474.20135	7.0
475.23837	2.2
476.18011	13.1
477.19113	13.0
478.19769	14.8
480.21213	4.0
482.39923	2.0
483.23792	27.8
490.19708	67.2
491.20212	8.2
492.21313	15.4
493.22232	3.2
522.22345	26.4
523.22943	8.3
567.26489	2.8
582.78351	1.9
595.25549	14.6
606.11926	1.7
613.26538	100.0
614.26569	4.7
645.28479	8.7
645.39728	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	643.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69456	0.3
52.12089	0.3
55.01843	1.0
55.05515	1.9
57.34855	0.3
58.06574	1.0
65.03922	1.1
67.05499	2.2
69.03401	1.3
69.27006	4.3
71.04987	0.9
72.08139	1.2
73.02878	0.4
79.05070	0.4
79.05489	7.3
81.03405	1.7
81.07041	2.7
83.04977	1.0
83.08583	1.0
84.04472	1.0
84.08144	3.9
85.02880	1.3
85.06515	0.6
91.05478	11.7
93.06554	0.5
93.07043	6.0
93.78107	0.3
95.04961	1.3
95.08057	0.4
95.08606	4.2
97.02837	0.6
97.06493	0.4
98.09679	0.5
100.07593	0.7
103.05435	0.9
105.07008	2.4
107.04935	2.7
107.08597	5.4
109.02850	0.8
109.06502	0.7
109.10136	1.5
110.06067	0.9
110.09668	0.7
111.08059	0.7
112.07578	2.0
112.11240	13.8
115.05419	0.6
116.07030	0.4
117.06990	0.6
118.04070	0.4
119.04936	23.7
119.08569	1.6
120.05246	0.4
121.06509	0.7
121.10126	4.3
122.09658	0.4
123.04424	2.4
123.08002	0.5
123.11723	0.4
124.07574	1.4
125.09641	0.6
127.03881	0.4
129.13875	10.9
131.04906	0.8
131.08562	1.3
133.06467	0.8
133.10088	1.0
135.04393	0.5
135.11662	0.8
136.07552	1.6
137.02299	0.6
137.05975	0.9
138.09158	0.9
139.03867	0.6
142.84416	0.4
145.06487	0.8
145.10129	0.6
147.04402	98.9
147.11653	1.2
148.04773	1.4
149.05988	0.6
149.09615	2.6
149.13284	0.5
150.12776	0.7
151.03856	0.5
153.01843	4.3
153.05334	0.5
153.09093	0.4
154.02126	0.6
155.11807	1.5
157.10217	0.4
161.05992	0.6
163.03880	0.5
163.07518	0.8
165.05479	0.9
167.07043	6.8
173.05991	1.3
173.13205	0.4
175.07559	0.4
175.11107	0.5
176.10658	0.6
177.05469	1.1
178.12248	5.2
181.04927	4.5
184.17523	0.3
189.05441	0.7
191.03419	1.8
191.07027	3.4
199.14833	0.4
203.11783	3.0
204.10194	50.4
205.10590	1.1
205.16966	1.3
206.15388	35.5
207.06581	0.6
207.15695	0.9
209.08069	0.5
211.13304	0.5
216.33897	0.4
218.11757	1.0
219.10147	0.4
241.13350	0.4
264.59369	0.4
266.20682	0.4
270.90640	0.4
275.05545	0.4
275.17529	14.2
277.22745	13.0
278.23077	0.4
285.07471	0.5
329.17496	0.7
385.12704	1.1
387.14386	0.5
417.15585	1.5
423.26721	0.8
463.30594	0.7
479.20493	0.6
479.33878	3.1
481.22375	0.5
497.34888	9.6
498.34738	0.4
625.37512	0.5
626.35150	0.8
643.38647	100.0
644.23041	0.6
644.38904	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	643.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.6
53.03943	0.8
55.01875	0.9
55.05507	2.6
57.03431	0.7
57.07078	1.6
60.55167	0.2
61.02933	0.3
65.03929	0.4
67.05167	0.4
67.05500	4.4
69.03424	3.1
69.07064	5.3
71.04987	0.6
71.08625	1.0
71.59619	0.4
73.02888	0.3
79.01851	2.2
79.05490	2.1
81.03408	5.6
81.07051	12.2
83.04974	0.3
83.08618	3.8
85.02898	4.8
85.06535	2.2
85.10167	0.3
89.03889	0.3
90.75941	0.2
91.05473	1.4
93.07038	2.7
95.04965	1.2
95.08603	11.4
97.02885	3.8
97.06538	0.7
97.10162	3.0
99.04440	0.6
99.08090	1.8
103.05444	0.8
105.07042	1.5
107.01325	1.6
107.04928	2.5
107.08592	2.5
109.02209	0.5
109.02881	5.1
109.06500	0.5
109.10148	7.4
110.10497	0.3
111.04424	0.7
111.08083	0.4
111.11729	2.4
113.09658	0.4
115.05435	0.6
117.03333	0.6
117.06997	1.0
119.04968	1.3
119.08563	1.2
121.06517	0.5
121.10140	1.8
123.00832	0.3
123.04422	3.4
123.08060	0.5
123.11699	3.9
124.05186	0.3
125.02350	3.5
125.09611	0.5
125.13255	1.1
127.03912	7.8
127.11029	0.3
129.06946	0.3
131.04922	1.0
131.08592	0.6
133.02866	0.3
133.06479	0.6
133.10139	0.6
135.04369	0.7
135.07961	0.4
135.11687	2.2
137.05965	0.9
137.13252	2.1
139.03889	1.0
139.11194	0.4
143.03395	5.4
145.02863	1.1
145.04932	0.8
145.06445	1.7
145.10147	0.7
147.04419	2.5
147.07976	0.4
147.11713	0.6
149.05969	0.8
149.13248	2.7
151.03911	0.9
151.14806	1.6
153.01819	100.0
154.02161	1.1
155.05861	0.3
155.07016	0.3
157.10159	0.4
159.11670	0.5
161.05988	0.7
163.03909	1.6
163.07507	0.7
163.14799	1.2
165.05501	0.8
165.16417	0.9
167.07033	12.4
168.07323	0.4
171.02879	10.0
171.13731	0.5
173.06000	1.8
173.13251	0.3
175.14934	0.3
177.05457	2.2
177.16422	0.7
179.03357	0.3
179.06967	0.5
179.17944	0.4
181.04951	6.2
182.05318	0.4
189.05525	0.3
191.03400	0.4
191.07001	3.1
191.17986	0.5
193.08492	0.6
193.19470	0.5
195.06508	0.3
197.19115	0.3
204.10150	0.4
205.08588	0.9
205.19505	0.6
207.06503	0.4
217.08504	0.4
219.10129	0.6
219.20853	0.4
223.20595	0.6
225.07484	0.5
233.04312	0.3
233.08040	0.8
235.09538	0.7
243.06482	0.4
247.09648	0.6
255.23338	0.3
263.09131	0.7
263.27396	0.9
275.27359	2.0
279.04791	0.6
281.08133	0.3
281.28384	1.6
293.28360	6.3
297.06058	4.4
299.29391	1.2
311.16565	0.4
311.29498	3.0
315.07071	17.3
325.10645	0.3
329.17514	0.7
329.30453	1.1
353.13834	1.0
366.50311	0.3
367.11609	0.3
385.12692	0.9
387.14313	0.7
401.30573	0.6
417.15482	4.5
418.15518	0.6
419.31409	0.7
445.29428	0.5
463.20694	0.7
481.21716	0.5
611.24384	0.4
643.23297	1.6
643.38794	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
71.33965	0.6
93.07025	0.3
109.10172	0.3
175.49078	0.3
222.51477	0.2
256.67767	0.3
266.46811	0.3
296.86221	0.2
318.00729	0.3
355.27032	0.3
357.95209	0.3
396.12234	1.0
397.12985	1.9
398.13733	0.7
399.14410	0.3
400.15881	0.3
409.13040	0.7
410.13626	2.7
411.14532	6.4
412.15228	4.6
413.15945	2.8
414.16718	0.4
423.15207	1.6
424.11234	1.5
424.16318	2.3
425.16269	11.8
426.16891	9.6
427.17551	2.4
428.18643	1.6
430.16287	0.4
437.11374	0.4
437.16153	0.8
438.12247	3.4
438.17999	0.8
439.13516	15.1
440.13846	1.5
440.19366	4.4
441.19260	39.9
442.19647	3.3
443.17072	0.4
444.18094	0.3
451.18213	0.6
452.14240	3.9
453.15240	19.0
454.15854	6.3
455.12762	0.3
456.13644	0.5
457.15121	0.8
458.15414	0.5
459.20547	0.5
463.14191	0.8
464.14377	0.5
465.15698	0.8
466.16400	0.9
467.17139	27.7
468.17896	15.6
469.18826	11.9
470.18692	1.0
471.16751	1.6
472.17227	0.6
479.17102	0.3
480.16934	0.9
481.14746	13.5
482.15347	3.7
483.16013	0.8
485.18311	1.3
486.19006	0.6
487.19797	0.6
494.16861	0.4
495.16873	2.5
496.17212	12.2
497.17865	3.2
498.19235	0.5
499.15167	0.4
499.20001	0.9
508.19531	0.8
509.18146	2.7
510.19669	0.7
512.20837	1.4
513.21783	0.3
514.22534	3.0
522.18024	0.9
523.19702	1.8
524.20868	0.3
527.23669	2.7
528.23492	0.6
537.18921	0.4
539.19037	0.5
540.20032	0.7
541.20923	0.4
542.21655	0.7
545.24072	0.7
551.19183	0.3
555.22375	35.5
556.22833	2.6
557.24048	0.3
568.19836	0.3
583.21851	100.0
584.22101	8.2
586.21112	0.4
587.25085	1.8
611.21472	1.8
614.23529	0.9
615.24432	15.1
616.24725	0.9
643.23901	85.5
644.23993	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
53.12390	0.5
55.01842	1.3
55.05499	0.5
64.42709	0.4
65.03939	2.1
66.04707	0.4
67.05485	1.3
68.99754	0.5
69.03423	2.3
69.46913	4.0
70.06611	0.5
72.96690	0.4
78.04712	2.3
79.01823	0.8
79.05488	2.8
81.03391	1.6
81.07034	1.3
82.04171	1.2
85.02908	2.7
89.03899	1.5
91.05473	3.3
93.07023	1.8
94.65862	0.4
95.04979	2.9
95.08605	1.2
97.02867	1.0
97.06506	1.0
103.05453	2.9
105.07005	1.7
106.04160	1.5
107.04942	5.1
107.08578	0.7
109.02856	1.4
110.03655	0.9
111.04424	1.4
115.05431	6.5
116.06220	0.5
117.03378	3.2
117.07005	7.3
119.04900	1.6
119.08559	1.6
121.02862	1.3
121.06505	2.5
121.10155	0.6
122.03619	0.9
123.04424	12.1
124.05170	2.9
125.02320	0.8
125.05978	1.7
127.03922	0.6
127.05413	0.7
131.04904	2.8
131.08601	1.1
133.06490	1.2
133.10120	1.3
134.03566	0.9
135.04381	1.9
135.11708	0.6
137.02313	0.7
137.05945	2.9
138.03072	0.9
139.03883	1.7
140.04619	0.7
142.02580	1.0
143.03368	1.3
143.04906	1.0
144.05687	0.7
145.02829	5.5
145.06471	13.5
145.10063	0.7
146.03198	1.2
147.04419	2.1
147.08006	1.2
147.11646	1.1
148.05147	1.1
149.05957	4.6
149.13225	0.5
150.03194	0.5
151.03903	3.3
151.07527	0.8
152.04636	1.8
153.01816	14.1
153.05431	2.0
154.02176	0.6
155.04922	0.6
155.06046	3.5
159.04358	0.7
160.05185	0.6
161.05940	1.8
163.03873	3.1
163.07495	0.9
165.05508	2.7
167.07025	100.0
168.07341	1.0
170.12198	0.4
171.06534	2.6
173.05969	20.5
173.13206	1.1
174.06447	0.4
175.03836	0.7
175.07504	1.0
175.14824	0.5
176.04657	0.8
177.05461	15.4
178.05836	2.8
179.05867	0.6
181.04942	45.0
181.08406	1.1
182.05330	0.5
188.04689	0.6
189.05461	1.7
189.09207	0.5
191.07021	3.8
191.08592	0.6
193.08524	0.9
195.06523	1.3
201.05534	0.8
203.06979	2.7
205.08574	5.5
207.06509	1.0
209.08008	3.3
211.07497	0.6
217.08708	0.8
219.06433	1.0
221.08141	0.7
231.06711	0.7
233.08043	5.4
235.07460	0.5
235.09599	6.7
237.09204	0.7
247.07404	0.5
255.06757	0.5
255.09991	0.5
259.02344	0.7
265.08688	0.4
267.06732	0.5
267.10083	0.5
273.07480	0.6
277.03442	1.2
278.03781	1.2
279.03854	1.0
281.08145	0.5
285.07578	0.9
287.05789	0.6
287.08990	0.4
293.08066	0.8
297.11349	1.0
299.09271	0.5
303.05243	0.5
303.08664	0.6
304.01880	0.6
309.07639	0.7
310.08426	0.7
311.09082	0.8
311.16150	2.5
313.10629	0.7
315.08698	0.9
325.10687	1.9
327.08536	0.6
329.17477	1.5
337.10812	0.6
341.10120	0.7
353.10211	0.5
355.11719	0.6
357.13287	6.0
381.13080	0.5
385.12781	28.5
386.13205	1.0
387.14301	5.4
399.14276	0.9
417.15408	17.9
418.15665	0.7
463.21152	2.3
481.22476	0.9
643.23755	52.2
644.24121	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	642.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.01870	0.9
55.05503	4.8
55.28180	0.6
57.03428	1.1
61.02910	1.8
61.73024	0.8
67.05501	11.7
69.07072	3.4
71.05003	1.0
71.59776	1.0
79.05490	7.8
80.37117	0.6
81.03424	1.1
81.07053	11.6
83.04948	1.7
83.08607	2.6
85.02895	2.0
91.03957	1.6
91.05470	11.4
93.07047	10.1
95.04968	2.0
95.08598	8.6
97.06534	1.5
105.07032	13.3
107.04958	1.2
107.08588	5.3
109.06509	2.0
109.10155	4.0
117.07004	6.9
119.08567	7.5
121.06547	1.4
121.10152	5.1
123.08036	1.3
129.06987	4.7
131.08571	11.5
133.06499	1.5
133.10126	4.8
135.08043	1.0
135.11676	2.2
141.06978	1.4
142.07864	0.8
143.08539	5.0
145.06499	1.2
145.10106	6.1
147.08055	1.6
147.11674	2.2
149.09665	2.0
149.13318	0.9
155.08559	1.8
157.10071	3.8
159.11693	2.7
161.09561	1.0
161.13271	0.9
167.08588	0.8
169.10146	2.9
171.11670	2.7
173.09567	0.9
173.13271	1.9
175.11182	1.0
181.10094	1.2
183.11710	1.8
185.13240	1.0
187.14876	0.7
195.11745	1.3
197.13196	0.7
199.14809	1.2
201.16344	1.0
209.13268	1.2
211.14851	1.2
213.16356	1.0
223.14885	1.2
241.15881	0.8
261.18604	0.8
276.08734	0.7
276.20398	0.8
335.23846	1.7
343.26709	0.8
353.24716	2.9
371.25861	2.9
389.26862	4.3
394.07764	0.9
427.28748	0.9
445.29477	100.0
446.29709	3.3
463.30457	23.9
464.31021	1.3
544.37469	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
53.17891	0.8
55.01862	1.0
55.05512	5.6
57.03435	1.7
59.04991	0.7
61.02914	2.8
65.03953	1.2
67.05500	15.9
69.03433	1.5
69.07063	6.9
69.53897	4.5
69.54301	2.3
71.04984	0.9
73.02895	0.9
73.06560	1.0
73.79718	0.8
79.05489	12.1
81.07054	17.4
83.04971	1.3
83.08626	3.8
85.02905	1.6
85.06531	1.4
91.03941	2.2
91.05478	17.9
93.07035	14.6
95.04962	1.9
95.08607	12.8
97.02923	1.0
97.06524	2.5
97.10168	0.9
105.07029	17.9
105.07685	1.6
107.04958	1.6
107.08597	6.5
108.66016	1.0
109.06515	2.2
109.10147	4.9
115.05457	1.3
117.07005	7.5
119.08578	13.0
119.43494	0.8
121.06519	2.8
121.10139	4.6
123.08103	1.4
123.11699	0.9
128.06245	1.4
129.06998	6.5
131.08549	17.8
133.06482	1.4
133.10117	8.0
135.08063	2.4
135.11707	3.3
137.09615	1.5
141.07013	2.2
143.08546	7.0
145.06453	1.3
145.10126	8.5
147.08040	2.5
147.11682	2.9
149.09583	1.9
155.08572	3.4
157.10104	5.8
159.08037	1.0
159.11655	4.2
161.13257	1.4
167.08533	1.2
169.10168	2.8
171.11691	3.8
173.13264	2.2
175.11137	1.0
175.14833	0.9
181.10146	1.5
183.11665	2.9
185.13319	2.4
187.14769	0.9
189.12732	1.1
195.11728	1.9
197.13199	1.4
199.14796	0.8
203.14241	0.9
209.13261	1.3
211.14821	1.2
213.12796	0.8
223.14920	1.5
237.16544	1.1
241.16013	1.2
247.17039	0.9
257.19003	1.1
325.25122	0.9
343.26367	1.3
353.24817	4.3
371.25787	5.2
374.20605	0.9
387.69269	0.9
389.26978	5.4
405.06369	0.9
427.28397	1.0
445.29492	100.0
446.29675	3.9
463.30551	36.1
485.93582	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01870	0.8
55.05506	3.2
56.97662	0.3
57.03419	1.1
57.07053	0.8
58.28082	0.3
61.02909	0.4
65.03944	0.5
67.05500	6.1
69.03430	3.4
69.07061	4.7
69.80611	0.2
71.04998	1.5
71.59197	0.3
71.59564	0.4
73.02901	0.4
74.39066	0.2
79.01854	2.0
79.05489	2.9
81.03416	8.4
81.07056	11.2
83.04967	1.1
83.08617	2.6
85.02422	0.4
85.02904	4.7
85.06506	0.7
86.09668	0.3
91.05479	3.0
93.07044	4.7
95.04977	2.1
95.08601	9.4
97.02888	3.8
97.06516	1.2
97.10177	1.9
99.04455	1.2
99.08070	0.6
103.05447	0.3
105.07023	3.1
107.01311	1.6
107.04942	1.0
107.08599	3.6
109.02863	4.4
109.06496	0.8
109.10149	5.9
109.10897	0.3
111.04434	0.8
111.08104	0.6
111.11722	1.1
117.07024	0.9
118.67201	0.3
119.04948	0.6
119.08559	2.4
121.06539	0.3
121.10146	3.1
123.04393	1.6
123.08038	0.4
123.11710	3.3
125.02353	2.8
125.09631	0.5
125.13228	0.3
127.03915	7.5
127.11220	0.3
129.07002	0.7
131.04913	0.4
131.08549	1.0
133.06497	0.6
133.10118	2.0
135.08018	0.3
135.11688	2.4
137.05943	0.6
137.09593	0.7
137.13260	1.3
139.03963	0.6
143.03374	4.8
145.02873	0.4
145.05002	0.6
145.06427	0.7
145.10141	0.6
147.04410	1.2
147.08034	0.3
147.11693	1.6
148.42625	0.3
149.09644	0.6
149.13258	3.0
151.03958	0.3
151.11153	0.3
151.14824	0.6
153.01817	100.0
154.02171	0.9
157.10075	0.5
159.11713	0.9
161.05911	0.3
161.09567	0.4
161.13295	0.6
163.14804	1.7
165.05515	0.5
165.12691	0.4
165.16449	0.4
167.07031	1.9
169.10060	0.3
171.02879	9.4
173.04518	0.3
173.06006	0.7
173.09573	0.4
173.11763	0.5
173.13226	0.5
175.07578	0.3
175.11150	0.5
175.14764	0.5
177.05493	1.1
177.16353	0.6
179.03384	0.3
179.07037	0.4
179.17928	0.5
181.04945	2.5
183.02908	0.4
189.05492	0.4
191.17999	0.4
192.34148	0.3
193.12242	1.1
195.13843	0.3
203.17830	0.3
205.04912	0.3
207.06595	0.5
209.60155	0.3
211.13266	1.3
217.19553	0.3
221.13329	0.5
225.07629	0.3
227.10652	0.4
233.08174	0.6
239.14349	0.3
267.15970	0.6
273.25815	1.3
279.04944	0.4
279.26837	0.7
285.10220	0.4
285.16971	0.6
291.26782	2.4
297.06058	3.9
309.27878	3.1
310.86258	0.3
315.07080	11.7
316.06967	0.3
327.28955	0.9
360.13831	0.3
385.12677	0.5
388.38766	0.3
388.84039	0.3
399.29016	0.5
413.17459	0.4
415.13818	0.3
416.14767	0.3
421.25751	0.3
443.27582	0.7
461.28754	1.6
469.20367	0.5
479.30045	1.0
497.31119	0.4
587.31940	0.4
605.33490	0.5
623.33990	1.2
641.21765	0.9
641.32214	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	641.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.2
51.02381	0.6
53.03932	0.6
55.05502	1.3
57.03424	0.6
57.07048	0.4
58.13780	0.2
61.02921	0.4
67.05494	3.0
69.03419	3.2
69.07059	2.8
69.55114	1.1
69.55539	0.7
71.04982	0.7
71.08621	0.4
75.84103	0.2
79.01836	2.4
79.05492	1.1
81.03410	6.4
81.07048	6.3
82.03747	0.2
83.04958	0.5
83.08615	1.3
85.02893	4.3
85.06528	0.5
85.10155	0.3
91.05470	1.5
93.07034	2.7
95.04962	1.3
95.08594	5.5
97.02872	3.4
97.06512	0.5
97.10152	1.4
99.04433	0.6
99.08066	0.3
105.07014	1.4
107.01296	1.8
107.04919	0.3
107.08572	2.2
109.02857	4.5
109.06522	0.4
109.10150	3.8
109.10843	0.4
111.04427	0.3
111.08081	0.4
111.11704	0.9
117.06997	0.3
119.08573	1.5
121.10145	2.3
123.04473	0.4
123.08028	0.3
123.11708	2.0
125.02325	2.9
125.13273	0.4
127.03900	7.5
129.72662	0.2
131.08522	0.5
133.10107	1.3
135.11653	1.6
137.05980	0.4
137.09607	0.4
137.13235	0.8
139.03889	0.3
141.12929	0.2
143.03387	4.4
145.04933	0.5
145.10104	0.5
147.11652	0.7
149.13222	2.3
151.11198	0.3
151.14795	0.3
153.01808	100.0
154.02124	0.7
157.10060	0.2
159.11633	0.3
161.09602	0.2
161.13287	0.5
163.11205	0.2
163.14842	1.2
165.12637	0.3
167.07033	0.8
171.02867	11.8
173.13225	0.2
175.11206	0.2
175.14745	0.3
177.12959	0.2
177.16379	0.4
179.17908	0.3
181.04942	0.7
183.02924	0.5
189.16464	0.2
191.17923	0.5
193.12260	0.6
195.02881	0.3
203.17883	0.3
211.13359	0.3
213.03821	0.4
217.19481	0.3
219.06538	0.3
237.03891	0.2
265.25256	0.2
267.15808	0.3
271.27072	0.2
273.25775	1.2
279.05075	0.4
279.26831	1.1
291.26724	2.4
297.05994	3.5
309.27823	2.1
315.07050	15.9
327.29004	0.4
387.29080	0.4
399.28656	0.2
417.30133	0.4
461.28455	0.6
479.29709	0.4
587.32385	0.3
605.33154	0.3
623.33704	0.4
641.34564	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.0
54.76728	2.5
55.01863	6.4
55.05507	32.5
57.03434	21.0
57.07078	3.9
60.77261	2.3
64.75262	2.9
65.03947	4.8
67.05499	69.5
68.05834	2.5
69.03421	27.4
69.07063	22.8
71.04993	10.3
71.60556	5.1
73.02962	2.3
74.57682	3.1
79.05490	41.5
81.03415	100.0
81.07052	87.4
82.07418	2.5
83.04974	32.4
83.08613	32.2
85.02898	19.8
85.06532	8.5
91.05480	47.0
93.07039	65.0
94.07356	3.5
95.04961	36.6
95.08595	31.4
97.02883	19.9
97.06516	14.3
97.10164	9.8
98.90609	3.1
99.04469	8.0
99.08080	5.6
102.91974	2.7
105.07021	30.6
107.04964	10.2
107.08581	37.4
109.02884	14.8
109.06523	7.7
109.10155	9.3
111.04452	14.8
111.08078	14.1
117.07018	9.9
119.08590	27.0
121.06407	5.8
121.10130	22.8
123.04414	3.4
123.08044	3.8
123.11707	8.8
125.09608	3.5
127.03892	15.4
129.05479	11.4
129.07022	15.6
131.08569	23.6
133.06480	9.6
133.10098	18.0
135.08040	4.8
135.11681	12.4
137.06000	3.5
137.09642	5.0
137.13298	2.7
145.10129	6.2
147.08076	6.8
147.11653	18.3
149.09634	9.7
149.13263	21.9
157.10136	15.5
159.11682	16.7
161.09604	2.7
163.11165	5.6
165.09088	3.1
165.12755	5.3
166.98186	2.4
167.06990	3.5
171.11693	2.7
173.09686	2.9
175.11201	15.0
177.05627	3.4
177.12724	8.3
181.04924	3.3
181.12189	3.2
191.06921	2.7
191.10638	4.2
193.12234	47.2
193.13866	4.1
195.13759	15.4
211.13284	50.7
227.12782	6.1
249.14804	3.1
267.15933	40.2
269.17459	65.1
269.20166	4.6
285.16910	19.1
319.15250	2.8
339.18146	3.1
355.17575	6.3
369.24078	3.6
377.19925	3.4
406.04739	2.8
411.20236	3.8
413.21503	4.7
429.21283	20.2
435.27393	3.1
443.27304	3.3
461.28989	73.8
479.30090	62.9
480.30341	3.3
569.43933	2.7
605.32251	3.2
623.34192	70.0
641.34570	9.3
643.23230	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	641.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.1
53.03942	1.1
55.01866	0.2
55.94511	0.1
56.39031	0.1
57.34226	0.1
62.01601	0.2
62.15779	0.1
63.02358	0.7
63.94263	0.1
65.03947	0.2
69.03069	0.2
69.03427	3.4
69.89241	0.9
70.06562	0.1
71.04993	1.0
78.04706	0.6
79.01866	0.2
79.05489	0.2
81.03418	8.0
81.64542	0.1
85.02900	0.5
87.42472	0.1
89.03915	10.7
90.04236	0.2
91.05477	1.1
93.07015	0.2
95.01347	0.1
95.04963	0.4
97.02897	2.6
98.21499	0.2
99.04458	1.3
103.05458	0.9
106.04163	0.4
107.04951	0.2
109.02880	5.8
117.03378	28.3
118.03725	0.5
119.04945	0.8
121.06514	0.2
123.04431	0.2
124.05187	0.4
127.03916	1.9
131.04927	0.5
134.03622	2.4
135.04413	2.3
137.05983	0.2
143.03374	0.2
145.02843	59.7
146.03159	1.1
147.04428	0.8
149.05977	8.6
150.06374	0.2
151.03850	0.2
153.01834	2.0
157.02864	0.5
157.90030	0.1
158.06007	0.7
159.04416	0.2
162.03043	0.2
163.03923	0.9
171.02933	0.4
173.02379	0.1
173.05824	0.1
175.03912	1.1
177.05467	100.0
177.88950	0.1
178.05797	2.0
185.02287	0.8
186.05502	2.6
187.03897	2.3
191.03313	0.3
195.06503	0.9
195.08060	0.2
201.01842	0.5
202.02617	0.2
203.03365	1.7
213.01817	1.6
215.03427	1.8
215.06958	0.1
219.02831	0.2
221.04509	0.1
229.01347	0.7
230.02144	0.3
231.02879	8.9
232.03239	0.2
241.01366	1.8
243.06468	0.1
247.02306	0.8
257.00735	0.8
259.02383	14.7
260.02753	0.4
275.01770	1.1
276.02631	2.8
277.03430	43.6
277.47519	0.1
278.03815	1.0
285.00296	0.4
285.07614	0.3
289.03448	0.2
303.01352	8.3
304.01733	0.2
305.02905	0.3
315.05225	0.2
321.02335	0.8
321.09698	3.0
328.99619	0.2
331.00958	0.4
339.10715	0.4
363.03671	0.2
365.08575	0.3
411.03473	0.3
429.04587	0.1
498.96292	0.1
530.66205	0.2
641.11383	6.6
642.11609	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42863	1.0
53.03935	6.3
55.01861	4.1
55.05504	15.9
57.03433	6.9
57.03657	1.1
57.07051	2.5
57.15770	1.1
65.03945	4.0
67.05497	75.6
69.03414	16.9
69.07063	20.9
70.23258	1.7
70.23657	3.2
71.01360	2.2
71.04195	2.1
71.04592	2.0
71.04986	38.8
79.05483	41.9
81.02924	1.7
81.03061	1.0
81.03407	46.3
81.07046	100.0
83.04974	16.3
83.08607	14.6
85.02904	8.5
85.06540	8.8
87.04453	1.6
91.05471	40.7
93.07029	48.6
94.20457	1.2
95.04965	12.1
95.08596	18.6
97.02867	11.3
97.05975	1.6
97.06530	12.1
97.10172	3.1
99.04448	5.9
99.08089	3.9
101.02353	1.1
105.07022	22.7
105.07747	1.2
107.04958	4.8
107.08582	29.9
109.02867	14.5
109.06532	4.7
109.10149	7.2
111.04428	10.4
111.08085	8.3
111.23238	1.1
113.05979	1.8
117.06995	9.3
119.04935	1.1
119.08553	8.8
121.06528	4.9
121.10140	16.0
123.04417	2.6
123.08068	1.9
123.11691	11.8
125.05968	1.2
125.09684	1.9
127.03870	7.0
129.05493	1.4
129.07025	2.7
131.08553	12.5
133.06494	2.5
133.10109	19.3
135.04446	1.5
135.08057	3.9
135.11678	9.4
137.09543	1.2
141.06966	1.8
143.08571	2.0
145.06509	1.7
145.10138	3.7
147.04384	1.6
147.08047	2.0
147.11659	5.6
149.09634	2.6
149.13235	23.9
151.11189	5.7
155.08549	1.8
157.10133	3.4
159.11664	14.3
161.09718	1.8
161.13240	1.9
163.11169	2.7
165.12828	2.6
167.14288	2.1
169.12276	1.5
171.06566	2.1
171.11743	1.5
173.04478	10.7
173.09631	1.4
175.11221	2.8
177.12756	7.8
181.10072	1.2
183.06566	1.5
183.11723	1.6
183.13786	3.8
187.13249	9.7
191.10538	1.4
193.12227	2.4
195.13773	14.8
201.14833	2.7
211.13219	1.6
213.14893	3.4
221.45479	1.2
227.12779	2.4
245.15469	1.2
251.16562	2.0
257.17548	3.0
261.15036	1.3
267.16037	2.9
269.17432	13.4
275.16324	1.1
283.19153	4.4
299.18600	1.4
302.30621	1.4
303.15985	2.7
321.17105	4.1
339.18015	11.4
344.48132	1.3
377.19644	3.6
395.20526	10.4
396.67990	1.3
421.29321	2.2
423.27368	1.6
427.23322	3.8
435.30966	2.0
437.28983	30.8
451.30453	10.6
453.32111	2.3
463.30383	8.8
495.33386	8.2
545.31219	3.6
563.32312	2.7
571.32715	1.8
589.33722	3.3
607.34717	21.9
621.34106	4.4
639.37329	53.4
640.37427	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40076	1.7
53.03945	15.9
54.99538	1.7
55.01866	9.9
55.05264	2.6
55.05508	35.9
56.91388	1.8
57.03439	13.2
59.04979	2.8
65.03920	6.1
67.05502	100.0
69.03078	3.0
69.03428	47.8
69.07067	28.2
71.01348	8.3
71.04990	18.1
71.59933	2.7
73.02924	3.1
73.90604	1.9
79.05489	60.6
81.03419	98.5
81.07055	90.4
82.07392	3.0
83.01320	2.6
83.04975	27.4
83.08624	23.0
85.02901	19.4
85.06564	4.6
87.04481	2.6
91.05476	46.7
93.07042	63.9
95.04964	20.1
95.08605	29.8
97.02888	30.4
97.06526	16.0
97.10155	14.1
99.04443	10.7
99.08049	3.2
101.02367	3.5
103.03845	2.5
105.07039	24.0
107.04941	19.7
107.08585	43.2
109.02881	27.5
109.06508	6.6
109.10152	34.3
111.04438	13.6
111.08108	8.8
113.02454	2.0
113.05970	2.4
115.05408	2.2
117.06991	17.5
119.08578	20.9
121.06493	7.0
121.10140	22.2
123.04469	3.8
123.08076	7.6
123.11703	4.9
125.09631	14.5
127.03906	25.5
128.06223	2.0
129.05484	3.1
129.06990	5.9
130.07782	2.5
131.08557	17.6
133.06479	3.8
133.10100	14.2
135.04431	2.6
135.08060	5.0
135.11702	18.3
137.06061	2.3
137.09651	4.2
139.11159	2.2
143.08545	2.5
145.06535	4.7
145.10110	16.4
147.08063	4.5
147.11644	8.9
149.09624	5.2
149.13266	18.1
151.11215	3.6
153.12744	12.0
155.08578	4.6
157.04988	1.8
157.10159	4.8
159.11684	11.5
163.11176	25.1
171.08023	3.4
173.04462	35.0
173.05872	1.9
173.09627	6.2
173.11726	6.7
173.13148	2.3
177.12753	8.4
179.14331	2.4
181.04968	2.0
181.12222	8.5
183.06529	6.1
189.11177	4.6
191.10686	11.4
193.12259	3.1
195.13783	12.0
209.11734	24.8
217.21082	1.9
225.11156	2.6
227.12773	27.6
229.14371	5.9
233.15341	2.5
238.77339	2.2
245.13797	2.1
247.13559	2.1
253.18056	2.7
265.14450	5.1
267.15924	4.9
269.17459	19.9
275.16458	3.3
278.51700	1.9
283.15302	9.9
285.14774	3.4
297.16934	2.5
301.16614	3.8
303.15918	3.7
321.16867	3.6
339.18155	3.1
353.16000	8.2
371.16998	2.6
377.19577	4.6
409.18607	3.9
423.27423	14.4
427.19608	8.4
459.27637	9.2
477.28381	19.9
495.29575	10.0
541.34796	2.7
595.30847	2.7
603.31598	5.8
621.32550	22.6
622.33569	2.8
639.33612	93.7
640.34052	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	639.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.4
55.01869	4.5
55.05508	17.1
57.03430	10.9
57.07059	0.9
59.04996	0.7
65.03929	1.7
67.05499	23.4
69.03075	0.8
69.03421	12.8
69.07063	7.1
69.44643	3.8
71.01340	0.8
71.04987	6.0
73.02927	0.8
79.05489	22.4
81.03413	100.0
81.07051	26.6
81.07426	0.4
82.03773	0.8
83.01339	0.6
83.04976	18.9
83.08614	23.0
85.02899	24.4
85.06536	3.1
87.04474	0.7
91.05473	29.2
93.07038	17.0
95.04960	29.2
95.08604	11.1
97.02270	1.0
97.02888	15.4
97.06531	5.5
97.10166	6.2
98.21523	0.8
99.04446	4.3
99.08098	1.4
101.02380	0.5
101.05988	0.8
103.03963	0.6
103.05484	1.0
105.03427	0.5
105.07024	20.2
107.04943	8.5
107.08590	11.3
109.02120	1.1
109.02870	16.9
109.06501	5.7
109.10148	4.9
111.04441	12.1
111.05205	0.7
111.08069	11.4
113.06002	2.5
115.05444	1.6
116.06219	0.6
117.07009	3.6
119.04952	1.6
119.08575	18.8
121.06535	4.4
121.10140	10.2
123.04449	2.1
123.08064	3.7
123.11713	3.3
125.05972	1.3
125.09611	4.3
127.03913	8.1
128.06198	0.8
129.05455	1.4
129.06990	11.8
131.04956	1.4
131.08562	11.6
131.09521	0.9
133.06499	5.0
133.10123	10.2
135.04407	0.7
135.08006	2.2
135.11682	2.4
137.05989	1.0
137.09601	1.7
139.07451	0.5
141.07056	0.9
142.07764	2.5
143.08553	1.5
145.06474	1.7
145.10127	4.7
147.04437	1.4
147.08032	4.0
147.11676	16.2
149.05984	2.1
149.09631	6.6
151.03908	0.5
151.11154	1.1
153.01808	5.4
153.09178	0.7
153.12724	3.4
155.08569	1.0
157.06487	0.9
157.10114	14.6
158.10461	0.6
159.08008	1.0
159.11687	1.1
161.06006	1.2
163.11160	5.5
165.05426	0.7
165.12729	5.3
167.07007	0.7
167.08524	0.6
168.14816	0.4
169.10158	0.8
171.02939	0.6
171.07962	0.5
171.11623	0.8
173.04468	1.5
173.05948	0.6
173.09662	1.4
175.11153	13.5
181.10837	0.6
181.12219	3.8
183.06561	0.9
189.09210	0.5
189.11227	2.0
189.12770	1.0
191.10622	3.8
193.12230	41.7
195.13698	0.6
199.11151	1.0
201.12759	0.7
207.13837	0.7
209.11668	0.6
211.13280	63.1
212.13577	0.8
213.14983	0.6
217.12285	1.3
223.13210	0.8
227.12677	5.3
229.12450	0.6
229.14258	3.1
233.15366	1.1
235.13271	1.7
237.12936	0.6
249.14868	1.6
255.13832	0.9
259.13187	0.7
261.14972	0.6
265.14355	0.5
267.15903	22.3
271.13156	0.6
273.14908	3.1
277.14407	1.5
283.15567	2.6
285.16949	14.7
289.14410	0.9
291.15912	0.7
301.14178	4.7
303.16205	0.6
309.16962	1.6
313.16351	1.1
315.06729	0.8
319.15350	2.9
327.18011	0.5
337.16309	3.9
351.18268	0.5
355.17462	6.5
355.21704	0.6
367.22711	1.4
375.17859	2.6
385.23611	3.2
393.19119	4.0
403.24777	1.2
411.20044	8.8
429.21008	3.2
459.27377	11.9
477.28470	14.2
478.28564	0.8
493.27368	0.6
495.29520	17.7
500.90320	0.5
501.28702	0.8
511.28970	1.8
519.29694	1.4
543.29657	1.1
557.31281	0.7
561.30835	1.0
567.29578	0.5
573.30707	0.9
585.30560	3.7
591.31293	0.6
603.31421	4.4
621.32654	14.7
639.33734	52.7
640.34186	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	639.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01625	0.6
53.03933	4.6
55.01871	4.9
55.05508	16.5
57.03180	1.1
57.03435	10.5
65.03938	2.3
67.05498	23.4
68.05835	0.7
69.03078	1.0
69.03425	13.7
69.07059	7.4
69.44629	6.3
71.01348	1.2
71.04987	6.5
79.05486	27.0
81.03412	100.0
81.07050	30.1
82.03741	1.0
83.04978	20.8
83.08609	23.2
85.02898	23.7
85.06531	2.4
91.05471	32.3
93.07034	17.9
95.04958	31.8
95.08604	10.8
97.02893	13.0
97.06521	6.3
97.10159	6.5
99.04438	4.8
99.08081	1.3
103.05497	1.4
105.07021	22.2
106.09439	0.7
107.04948	10.6
107.08588	9.6
109.02876	17.6
109.06522	5.8
109.10144	3.7
111.04437	12.8
111.08075	12.4
113.05986	3.1
115.05445	1.5
117.07001	3.6
119.04932	1.0
119.08579	20.5
120.08937	0.8
121.06516	4.4
121.10139	8.9
123.04454	3.3
123.08085	3.0
123.11711	2.4
125.06012	1.4
125.09604	3.5
127.03903	7.2
128.06229	1.5
129.05544	1.7
129.06989	9.9
131.08565	13.1
133.06505	4.6
133.10117	9.8
135.08023	1.6
135.11708	2.8
137.06004	1.8
137.09651	1.6
141.07014	1.4
142.07794	2.7
143.08554	1.1
145.06490	1.1
145.10138	3.7
147.04398	2.5
147.08072	4.3
147.11670	16.2
149.06046	1.3
149.09619	5.9
153.01855	2.1
153.12752	3.1
155.08591	1.3
157.06567	0.9
157.10130	13.7
159.08086	1.0
161.05977	1.3
163.11168	4.7
163.55656	0.8
165.05597	1.0
165.12772	5.0
167.07066	1.2
169.10158	1.4
171.08061	1.0
171.11674	1.1
173.04422	1.7
173.09584	1.6
173.47177	0.7
175.11185	13.6
177.05515	1.0
181.12219	2.7
183.13727	0.9
187.11325	1.1
189.05534	0.8
189.11273	2.0
189.12782	1.2
191.10712	3.5
193.12225	48.3
207.13782	0.8
209.11682	1.0
211.13271	70.9
212.13655	1.8
227.12666	6.2
229.14366	2.4
235.13364	0.9
249.14832	1.9
267.15897	26.4
268.16275	0.8
273.14944	2.7
277.14380	1.3
283.15527	2.2
285.16953	17.2
289.14279	1.3
301.14157	4.9
309.17004	1.0
319.15497	3.1
337.16483	4.1
355.17505	8.5
367.22653	2.0
375.18130	2.3
385.23788	4.0
393.19144	3.2
403.24973	1.5
411.20102	7.7
429.21149	4.3
459.27454	12.5
477.28391	15.8
478.28873	0.9
495.29538	18.0
496.29926	1.6
501.28326	1.2
511.28552	1.2
519.29700	1.5
561.30688	2.4
573.30524	1.5
585.30804	5.0
595.22589	0.8
603.31537	5.0
621.32721	14.8
622.33093	1.8
639.33685	58.3
640.34216	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	639.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03744	1.2
53.03943	14.7
53.89255	1.2
55.01865	21.5
55.05509	39.1
57.03437	20.7
57.07070	17.2
59.04993	1.2
65.03927	6.0
67.05499	82.4
69.03421	37.0
69.07063	25.0
70.74345	1.3
70.74705	4.9
71.01340	4.7
71.04987	12.8
73.02902	3.9
79.05487	74.5
81.03413	92.9
81.07052	100.0
82.04187	2.3
82.07384	1.5
83.01368	1.3
83.04979	24.7
83.08615	25.5
85.02896	23.3
85.06532	6.7
87.04460	2.0
88.28503	1.4
91.05473	68.9
93.07037	66.8
95.04961	36.0
95.08602	35.6
97.02277	2.7
97.02882	41.1
97.06531	16.0
97.10163	9.6
98.07272	3.1
99.04461	11.2
99.08083	4.3
101.02382	2.8
101.05988	2.3
105.04509	1.4
105.07024	41.7
107.04943	13.4
107.08586	38.4
109.02882	14.7
109.06522	12.9
109.10147	21.1
111.04425	13.6
111.08059	11.5
113.06019	2.6
115.03909	5.3
115.05430	3.1
117.07010	19.2
119.08566	27.1
121.06509	17.4
121.10133	24.4
123.04392	5.6
123.08042	8.0
123.11694	5.9
125.05949	2.7
125.09634	9.8
127.03910	8.9
127.11166	4.0
128.06192	1.9
129.05447	3.3
129.07014	14.3
131.08556	22.9
133.06480	6.9
133.10124	25.0
135.04382	3.0
135.08067	8.1
135.11702	14.1
137.05981	3.6
137.09615	3.8
137.13135	1.7
139.03882	1.7
139.07513	1.8
139.11140	1.8
141.06927	2.4
142.07732	1.9
143.03383	4.4
143.08522	3.4
145.04979	1.4
145.06473	3.6
145.10123	11.1
147.04536	1.6
147.08046	6.5
147.11664	15.0
149.05971	3.0
149.09613	8.9
149.13243	16.2
151.11139	4.1
153.05464	2.5
153.06999	1.4
153.12758	2.0
155.08546	3.3
157.10138	10.9
158.05760	1.9
159.08028	3.2
159.11693	14.1
161.05916	2.5
161.09622	3.1
163.11166	9.1
165.12752	5.4
167.14311	2.1
169.10123	3.0
171.06531	4.4
171.07922	1.5
171.11609	1.9
173.04451	12.8
173.09604	2.7
173.11749	3.2
173.13147	2.2
175.07553	1.4
175.11151	9.7
177.12741	8.7
181.10091	1.4
181.12148	2.7
183.06425	1.9
183.11728	2.0
187.11230	2.0
187.13367	1.5
189.11157	2.6
189.12712	2.9
191.10658	2.9
193.12233	16.6
194.12561	1.3
195.13808	15.5
197.13301	1.8
199.06079	2.0
199.13301	3.6
201.12820	1.4
209.08253	1.2
209.11679	4.2
211.13277	14.6
213.12695	1.5
213.14830	2.8
219.13794	3.2
223.13283	3.2
227.12666	6.5
229.14380	5.9
231.13600	1.7
233.15392	2.0
235.13290	2.3
236.24489	1.4
244.18993	1.2
245.15511	1.7
247.13474	1.9
249.14977	3.6
253.17853	2.0
255.15854	2.0
261.14777	2.4
263.16415	3.1
267.15958	9.5
269.17523	10.4
273.14865	3.4
283.15427	3.7
285.17004	3.3
289.14453	1.4
291.15988	1.8
301.16608	1.5
303.16049	2.2
309.16919	2.2
321.17023	3.3
329.47311	1.3
335.72202	1.4
339.17966	8.2
353.15829	1.8
395.20612	10.0
411.20148	3.1
413.21497	2.6
423.27295	5.7
437.28845	2.3
459.27359	2.8
467.23212	2.0
477.28723	6.7
479.30008	1.7
495.29367	1.7
605.33063	1.5
621.32745	7.0
639.33600	49.0
640.34149	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	639.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00870	0.6
53.03945	5.4
55.01870	5.6
55.05508	17.9
55.72640	0.6
57.03434	9.0
57.07074	0.8
57.21395	0.5
59.05005	0.9
65.03934	2.0
65.19893	0.5
65.20322	0.6
67.05502	25.2
68.05860	0.8
69.03072	1.3
69.03422	14.1
69.07069	6.1
70.20817	2.2
71.01333	1.0
71.04993	6.7
73.02940	0.8
79.05489	23.9
81.03413	100.0
81.07049	27.8
82.03752	1.0
83.01345	0.8
83.04977	19.4
83.08615	21.7
85.02899	21.1
85.06541	2.7
91.05476	29.5
93.07038	20.3
95.04967	26.8
95.05445	0.5
95.08605	10.2
97.02887	14.5
97.06513	5.8
97.10170	7.3
99.04449	4.5
99.08109	1.1
103.05488	1.0
105.07022	22.0
106.48795	0.7
107.04942	8.2
107.08593	10.0
109.02869	15.4
109.06508	4.8
109.10149	5.7
111.04440	11.3
111.08076	11.1
113.06011	2.6
115.05484	1.7
116.06210	0.7
117.07018	3.4
119.04953	1.4
119.08572	18.8
121.06490	3.6
121.10135	10.4
123.04426	2.8
123.08049	3.5
123.11707	2.7
125.05995	1.0
125.09632	3.7
127.03905	8.1
128.06247	1.1
128.13708	0.7
129.05482	2.0
129.06989	11.1
131.04887	1.5
131.08572	11.9
133.06487	3.3
133.10124	9.9
135.04465	1.0
135.08022	1.3
135.11655	3.7
137.06020	1.6
137.09619	2.9
141.06992	0.7
142.07808	2.9
143.08517	1.1
143.73714	0.6
145.05038	0.8
145.06450	1.7
145.10103	4.9
147.04436	1.7
147.08035	3.6
147.11685	15.7
147.12791	1.2
149.05977	1.4
149.09605	6.4
149.13274	0.9
151.11180	0.7
153.01831	1.8
153.09129	1.0
153.12764	3.3
155.08566	0.9
157.10104	12.9
159.11696	1.3
161.13219	0.8
163.11156	4.5
165.09082	0.9
165.12738	5.4
171.07990	0.8
171.11746	1.0
173.04521	1.3
173.09564	1.7
175.11163	13.6
177.05505	0.7
181.12193	3.2
183.06596	1.0
185.13354	0.7
189.11177	1.0
189.12724	1.1
191.10690	3.8
193.12244	39.2
194.12695	0.8
205.12263	0.8
207.13710	0.9
209.11710	1.5
211.13278	65.0
212.13699	2.0
213.14804	0.8
227.12723	6.2
227.14516	0.7
229.14398	2.2
231.13762	0.9
235.13303	1.1
249.14850	2.6
255.13779	1.2
267.15909	20.7
269.17389	0.9
273.14886	2.8
277.14331	1.3
283.15488	2.7
285.16956	15.5
285.20139	0.8
289.14499	0.7
301.14267	5.1
302.14670	0.7
309.17072	2.0
319.15302	3.0
337.16476	3.3
339.23358	0.7
351.18027	1.0
355.17511	6.5
357.17358	0.9
367.22601	2.2
375.17923	1.5
385.23804	4.4
393.19025	3.1
403.24722	1.7
411.20206	6.8
419.07727	0.6
429.21112	4.4
429.26144	0.8
449.29102	1.3
459.27292	11.9
477.28409	15.5
478.28589	0.8
495.29532	18.0
501.28088	1.2
511.28961	2.0
519.29248	1.5
561.30353	1.4
573.30353	2.2
585.30194	4.0
603.31543	4.7
621.32611	16.0
622.32874	0.8
639.33649	58.5
640.34015	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	639.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.8
53.03944	7.0
55.01876	3.7
57.03426	1.7
60.82101	0.4
63.02371	0.8
65.03948	1.3
67.01868	2.1
69.03069	0.7
69.03428	8.6
69.26828	0.6
69.27235	4.5
71.04971	0.8
79.01845	3.6
81.03415	58.7
83.01340	1.1
83.04966	0.4
85.02896	4.5
90.43296	0.4
90.72213	0.4
92.99751	1.9
93.03406	0.8
95.01330	5.0
97.02892	3.5
98.20707	0.7
99.00806	1.1
99.04472	1.7
101.02353	1.3
105.03389	0.4
109.02874	38.4
111.00832	0.6
111.04427	0.7
112.18156	0.4
113.02370	2.3
119.01280	2.6
121.02850	3.7
123.00790	4.8
123.01610	0.7
125.02374	1.9
127.00277	0.7
127.03911	8.6
133.02800	0.4
136.01503	0.4
137.02304	2.7
139.00250	0.9
139.03891	1.0
141.01814	2.7
145.05019	0.5
147.00784	1.1
147.04446	0.8
149.02354	4.2
149.94330	0.4
151.00243	2.7
153.01836	1.1
154.99783	0.4
163.03909	0.4
165.01834	15.7
165.03238	0.8
166.99765	1.2
167.03403	5.1
169.01311	1.9
175.00459	0.4
177.01880	1.4
178.99728	0.8
181.01280	1.4
182.99205	1.8
183.02893	0.9
187.03931	0.6
189.01869	0.9
191.03418	1.3
192.00493	0.9
193.01315	100.0
194.01718	0.7
194.99202	0.8
195.02882	2.5
197.00867	0.7
199.03897	0.6
201.01819	1.4
202.99734	1.5
203.03384	1.7
205.01338	2.3
209.00829	1.0
211.02350	4.7
215.03378	0.6
217.01358	1.3
219.02843	2.6
221.00793	98.4
222.01134	0.7
229.01355	1.1
231.02846	4.3
235.02477	0.6
237.00310	0.5
237.66118	0.5
239.01823	7.5
239.03952	0.6
243.02901	1.0
245.00716	2.4
245.04384	0.5
247.02373	16.0
255.02751	0.4
257.00708	0.9
257.02811	1.9
259.02399	2.7
261.03860	0.7
263.01819	2.6
267.01419	1.1
271.02408	1.3
273.00302	2.6
273.03830	0.8
275.01816	6.3
275.04562	0.5
277.03616	0.5
285.00296	0.5
287.01614	1.0
289.03464	1.0
291.01358	1.7
297.03983	0.6
299.01950	0.5
301.00131	0.6
301.03436	3.6
303.01340	8.6
309.03864	0.5
310.44583	0.4
313.03598	0.5
317.02792	0.6
319.00851	1.5
319.04492	0.8
327.01407	1.1
347.03958	1.1
357.02576	0.6
365.05048	2.9
375.03741	0.4
383.06018	0.5
387.03516	0.5
401.05182	0.7
419.06671	0.8
421.03867	0.6
429.04727	1.5
431.02527	2.1
447.06003	2.1
449.03586	3.6
459.02032	2.7
467.04373	0.5
477.02985	9.2
495.04150	1.4
513.05066	1.0
557.05170	0.4
575.06512	1.2
583.04944	0.5
585.05310	0.8
601.73914	0.5
603.06171	4.0
621.07214	19.3
622.08026	0.5
639.08234	21.4
640.08258	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.6
51.02370	1.2
53.03943	6.6
55.01864	4.7
57.03419	1.6
58.53839	0.4
61.70776	0.4
63.24918	0.3
65.03934	1.4
67.01853	1.0
67.05492	0.6
69.03069	0.8
69.03423	9.7
70.95847	0.8
71.04977	1.4
73.02908	0.5
79.01859	2.2
81.03408	79.0
82.03736	0.5
83.01334	1.2
85.02898	4.1
85.80798	0.4
91.93343	0.4
92.99749	1.3
93.03388	0.9
95.00735	0.6
95.01318	5.2
96.49932	0.4
97.02882	3.4
97.48653	0.4
99.00795	2.5
99.04443	1.8
101.02370	1.0
109.02867	49.6
110.45392	0.4
111.00807	1.1
111.04414	1.2
113.02364	1.9
117.01830	0.9
119.01281	1.8
121.02872	3.2
123.00784	3.7
125.02379	1.3
127.00363	0.5
127.03906	8.4
129.41365	0.4
137.02319	3.0
139.00237	0.7
139.03917	1.5
141.01822	2.9
147.00743	0.8
147.04411	0.7
149.02304	3.5
151.00267	2.4
151.03966	0.5
153.01822	0.6
163.00223	0.6
163.03883	0.9
165.01819	12.8
166.99763	1.2
167.03419	4.8
169.01323	1.1
171.04427	0.7
175.00279	0.6
175.03923	0.5
177.01807	2.2
178.99609	0.7
181.01321	1.5
182.99219	1.9
183.02849	0.8
187.03931	0.7
189.01830	0.8
191.03392	1.5
192.00507	0.7
193.01306	100.0
194.01691	1.4
194.99150	0.6
195.02864	2.9
197.00862	0.7
201.01840	1.5
202.99770	0.5
203.03436	1.7
205.01299	2.9
209.00853	1.2
210.01674	0.6
211.02351	3.7
215.03233	0.7
217.01222	1.9
218.02364	0.5
219.02888	3.5
221.00786	97.2
222.01164	1.5
223.02264	0.5
224.95079	0.5
229.01326	1.2
231.02843	3.6
237.00487	0.5
239.01822	12.5
239.87022	0.4
243.02794	0.9
245.00783	3.7
247.02365	14.1
257.00803	1.2
257.02991	1.3
259.02313	2.3
261.03906	0.7
261.50943	0.4
263.01895	2.5
267.01370	1.5
271.02484	1.0
273.00320	2.9
273.03116	0.5
275.01807	8.6
277.03455	0.5
285.00198	0.8
287.01727	0.9
289.03299	0.9
291.01315	1.7
295.02307	0.6
299.01846	0.8
301.03348	2.9
302.00699	0.4
303.01291	8.6
303.04706	0.4
309.03558	0.4
312.99875	0.5
315.01138	0.5
317.02881	0.8
319.00937	1.5
319.04355	0.8
327.01324	1.0
329.02853	0.6
331.00742	0.6
337.05295	0.5
347.04193	0.5
357.02432	0.6
365.04880	2.7
387.03632	0.6
403.02954	1.2
413.01193	0.6
419.06317	0.7
429.04660	1.7
431.02539	1.9
433.04187	0.4
445.03970	0.5
447.05707	1.9
449.03467	6.3
459.01843	4.0
467.04343	0.5
477.02988	15.3
478.03177	0.5
495.04019	2.8
511.04852	0.4
513.05121	0.9
575.06317	0.5
603.06213	3.5
621.07208	21.4
622.07220	0.8
624.87695	0.5
639.08160	32.2
640.08466	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.1
53.03943	4.7
55.01867	4.0
57.03422	1.2
63.02355	0.6
65.03918	0.9
67.01833	1.5
68.99792	2.6
69.03428	8.1
69.52104	4.5
71.04985	1.4
72.98067	0.6
79.01847	3.1
79.90979	0.5
81.03414	64.8
82.03699	0.6
83.01318	1.3
85.02898	5.0
91.05436	0.6
92.99745	1.8
93.03402	0.9
95.01314	5.0
97.02883	3.9
99.00790	1.3
99.04408	1.5
101.02362	1.1
107.01254	0.6
109.02871	42.3
111.00755	0.9
111.04398	1.3
113.02369	2.6
119.01270	1.5
121.02839	3.4
123.00766	3.8
123.04388	0.8
123.08974	0.5
125.02325	1.2
127.00275	1.0
127.03903	8.5
128.17873	0.6
137.02374	3.3
137.03242	0.5
139.00200	0.7
139.03874	2.1
141.01834	2.5
145.04874	0.8
147.00771	0.8
147.04388	0.5
148.01537	0.6
149.02324	4.0
151.00294	2.6
153.01784	1.2
154.99771	0.7
163.03902	0.7
165.01823	12.5
166.99695	1.2
167.03433	5.2
169.01320	1.5
173.02370	0.6
175.00238	0.6
177.01787	1.4
178.99745	0.6
179.03333	0.5
181.01245	1.1
182.99237	1.2
183.02937	0.8
187.02336	0.6
191.03300	0.7
192.00415	0.9
193.01315	100.0
194.01633	0.9
194.99251	0.5
195.02863	2.2
197.00789	0.8
201.01759	0.9
202.99660	0.8
203.03362	1.7
205.01273	3.3
208.41301	0.5
209.00835	0.6
210.01613	0.7
211.02457	3.8
217.01259	1.5
219.02875	2.3
221.00792	92.3
222.01135	1.0
229.01381	1.3
231.02859	3.7
235.02296	0.6
239.01808	8.1
243.02876	0.8
245.00787	3.1
245.04619	0.5
247.02359	15.5
249.15680	1.9
255.03008	0.6
257.00623	1.1
257.02917	1.6
259.02335	2.8
261.03815	0.8
263.01834	2.5
267.01373	1.4
271.02460	1.3
273.00366	2.3
273.04041	0.9
275.01868	7.8
277.03284	0.9
285.00211	0.7
287.01797	0.9
289.03363	1.0
291.01343	1.5
301.03418	4.4
303.01309	10.1
315.01434	1.0
317.02814	0.6
319.00781	1.4
329.02759	0.8
337.05548	0.8
345.02161	0.8
365.05054	2.7
403.02795	0.9
415.02908	0.9
419.06229	1.0
421.03894	0.6
429.04553	1.2
431.02484	1.3
444.67813	0.6
447.05511	2.0
449.03513	3.4
459.01895	3.1
477.03012	11.2
495.04239	2.0
513.05542	0.6
565.03723	0.8
575.07007	1.0
583.05426	0.6
603.06091	4.2
621.07178	20.9
639.08203	25.2
640.08136	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.2
53.03940	4.5
55.01870	3.3
55.80063	0.5
57.03416	1.3
63.02373	0.6
65.03913	1.6
67.01846	1.4
68.99761	1.8
69.03422	7.4
69.32030	6.3
71.04986	0.6
79.01839	3.3
81.03413	54.2
83.01328	1.1
85.02884	4.2
92.99743	1.6
93.03400	0.8
95.01324	4.9
97.02887	2.9
99.00795	0.8
99.04444	2.1
101.02359	1.4
107.01280	0.7
109.02876	39.0
111.00750	0.7
111.04392	1.7
113.02320	1.6
119.01263	2.0
121.02830	2.3
123.00809	3.2
123.04517	0.6
125.02319	1.9
127.03907	8.5
131.04880	0.6
132.86082	0.5
133.02823	0.6
137.02338	2.2
139.00221	0.8
139.03879	1.1
141.01820	3.3
147.00734	1.3
149.02313	3.5
151.00256	2.3
153.01810	3.3
154.67688	0.5
154.99767	0.8
163.00177	0.9
163.03889	0.8
165.01822	10.9
166.99768	1.0
167.03400	4.9
169.01266	1.7
175.03900	1.0
177.01839	1.5
181.01334	1.1
182.99229	1.9
183.02946	0.7
189.01817	1.0
191.03426	1.1
193.01318	91.5
194.01607	1.2
195.02864	2.4
197.00713	0.6
198.79735	0.6
201.01965	1.0
202.99756	1.1
203.03325	1.0
205.01314	2.7
210.01515	0.7
211.02373	3.5
217.01291	1.4
219.02820	2.6
221.00800	100.0
222.01118	2.3
228.04311	0.6
231.02812	3.7
231.34308	0.6
239.01842	8.0
239.03990	0.7
243.02864	1.1
245.00786	2.2
247.02379	14.5
249.11211	1.2
257.00610	1.1
257.02966	1.3
259.02322	2.8
263.01862	2.5
267.01285	1.3
271.02328	1.0
273.00256	1.7
275.01855	8.3
277.03345	1.0
287.01843	1.1
289.03360	1.1
291.01373	1.0
301.03229	2.8
303.01331	9.9
304.01666	0.7
308.65195	0.6
315.01373	0.6
317.02890	0.8
319.00995	0.9
327.01199	0.8
329.03052	0.7
345.02362	0.7
359.67972	0.6
365.05029	2.6
375.91428	0.6
403.02887	0.7
407.92560	0.7
419.06180	1.3
429.04532	1.1
431.02298	2.5
447.05731	2.6
449.03305	3.3
459.01907	3.7
477.02957	9.7
495.04669	0.8
513.05042	1.5
575.06525	1.1
603.06140	4.3
621.07129	17.8
622.07397	1.2
639.08167	24.4
640.08752	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.8
53.03941	7.8
55.01862	1.3
57.03440	2.2
61.02906	0.4
65.03913	0.4
69.03424	11.3
69.95963	1.3
69.96383	0.6
70.06618	0.3
71.04964	0.6
77.00259	0.3
81.03410	100.0
82.03777	0.4
83.01315	1.1
85.02901	3.7
90.85378	0.3
92.99743	0.6
93.03361	0.3
95.01321	3.4
97.02882	3.5
99.00803	5.4
99.04444	1.5
101.02361	0.4
109.02869	52.3
111.00793	0.4
111.04465	0.6
113.02358	0.8
117.01844	2.0
121.02818	0.7
123.00758	0.9
123.04466	0.4
125.02335	1.1
127.03905	4.7
137.02330	2.2
139.03902	2.2
141.01813	2.4
141.96013	0.3
145.02864	0.3
147.04419	0.6
149.02292	1.0
151.00247	0.4
151.03909	0.3
153.01772	2.5
159.02910	0.5
163.03941	1.6
165.01823	6.7
166.99730	0.4
167.03355	2.9
169.01283	0.6
173.02342	0.4
175.03917	0.4
177.01839	1.8
181.01233	0.3
182.99297	0.9
183.02834	1.6
187.04012	0.4
189.01836	1.5
191.03381	3.7
193.01309	16.2
195.02928	1.9
197.00772	0.5
201.01759	0.4
203.03362	1.2
205.01392	0.8
207.02892	0.5
211.02354	1.1
215.03378	0.6
217.01265	3.7
217.03145	0.5
218.02077	0.7
219.02858	5.1
221.00790	52.1
222.01129	0.5
229.01343	0.7
231.02847	2.4
235.02362	0.9
239.01833	22.6
244.98474	0.6
245.00798	7.4
246.01552	0.9
247.02383	3.9
257.00815	0.7
259.02338	1.4
263.01941	1.9
273.00272	4.5
274.00983	0.7
275.01840	8.2
277.03540	0.4
281.02890	0.4
285.00336	0.6
285.03558	0.4
287.01831	0.9
291.01355	0.9
299.01852	0.3
300.99817	0.6
301.03159	0.5
303.01349	2.8
313.03271	0.4
315.01300	0.5
319.00961	0.7
321.02295	0.4
329.02719	0.3
331.00552	0.3
347.04199	0.3
365.04904	0.6
394.75089	0.3
431.02298	0.4
449.03479	10.8
459.01871	0.6
467.04358	0.5
477.02948	28.0
495.03906	4.9
535.65808	0.4
585.04608	0.4
603.06207	0.7
621.07117	9.3
639.08191	41.0
640.08752	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.4
55.01859	2.4
55.05495	4.0
57.03432	13.3
57.07073	22.3
60.04508	1.0
61.02920	46.6
67.05505	9.8
67.05837	1.5
69.03072	1.5
69.03423	21.5
69.07066	6.4
71.01345	2.5
71.04978	2.6
71.08628	17.2
73.02909	15.3
75.04459	1.2
79.05474	2.1
81.03412	18.5
81.07047	11.7
83.04979	1.9
83.08608	8.5
85.02896	59.2
85.06544	0.9
85.10173	10.4
87.04444	2.6
89.06020	0.8
91.03943	36.0
91.05482	1.6
91.22274	0.8
93.07050	1.8
95.04984	1.4
95.08592	13.7
97.02882	54.9
97.10149	3.6
99.04450	9.4
101.02352	5.8
103.03922	7.0
105.07024	1.2
107.08620	1.5
109.02854	9.6
109.10140	7.2
111.04430	1.8
111.11745	1.3
115.03901	5.1
117.05496	1.6
121.10139	1.4
123.11685	3.0
127.03900	26.3
129.05464	5.0
137.13271	1.2
145.03896	1.3
145.04950	16.0
149.02328	2.5
153.05458	1.4
155.06999	0.9
159.06540	1.8
162.03119	2.2
163.06010	5.3
183.06517	8.8
201.07574	7.6
208.01941	1.3
219.08551	1.1
221.85556	1.0
239.23672	17.0
257.24753	2.6
284.85306	1.1
298.27487	1.0
313.27335	100.0
314.27673	1.9
331.28226	1.5
334.76584	1.0
341.26727	4.0
347.67349	2.8
348.17407	2.4
349.16855	2.9
355.28461	4.7
383.27783	2.5
385.29230	2.2
397.29358	1.4
439.30597	2.6
457.31580	15.8
475.32184	2.4
596.10425	3.9
596.60571	2.0
600.09387	1.0
637.38287	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	637.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.6
55.01857	6.8
55.05504	17.3
57.03431	15.1
65.03918	4.5
67.05498	60.5
69.03424	15.9
69.07060	17.4
69.64834	13.8
71.04973	6.5
73.06539	2.2
79.05486	66.2
79.05951	3.6
81.02975	2.8
81.03414	38.7
81.07047	74.0
83.04974	23.8
83.08611	10.9
85.02888	7.7
85.06512	2.8
91.05473	53.0
93.07036	68.9
95.04951	25.1
95.08603	32.9
97.02874	9.4
97.06501	7.1
97.10134	3.3
98.21477	3.3
99.04436	3.8
105.07021	38.0
107.04932	9.4
107.08584	27.3
108.55394	1.7
109.02859	7.4
109.06501	7.7
109.10139	6.3
111.04427	4.9
111.08057	4.2
117.07018	13.3
119.08569	25.7
121.06490	5.2
121.10138	12.3
123.04391	2.2
123.08025	3.3
123.11721	4.9
127.03905	7.8
128.06174	3.9
129.05478	4.2
129.06982	15.4
131.08563	13.2
133.06458	2.3
133.10127	11.0
135.07990	2.1
135.11664	5.6
138.03923	1.7
143.08540	6.9
145.06509	2.6
145.10104	9.6
147.08043	5.3
147.11679	35.3
149.13228	9.8
157.10098	2.0
159.11688	7.7
161.09593	5.2
161.13239	7.9
163.11111	2.3
165.12753	2.4
171.11681	20.6
173.04416	2.1
177.12782	4.6
189.12692	8.7
191.14297	2.1
195.13748	7.8
207.13762	27.8
213.14786	2.2
225.14842	2.1
245.15790	1.8
269.17551	10.4
281.17468	50.6
321.17093	2.2
339.17838	5.5
362.71884	1.8
371.52505	1.9
385.07098	1.7
395.20367	4.8
413.21616	27.6
437.00818	1.8
475.30527	100.0
476.30664	3.9
555.32483	2.4
619.34735	48.1
637.32220	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80080	0.7
53.03931	2.4
55.01870	1.8
55.05514	6.3
56.05025	2.4
57.03413	1.5
57.07073	1.3
57.34977	0.8
60.04498	2.2
65.03951	1.1
67.05174	1.3
67.05500	18.0
68.05014	0.9
69.03436	4.7
69.07057	4.3
70.06583	1.4
70.38269	0.7
70.98302	0.7
71.04984	4.7
71.60586	1.0
73.02909	0.7
79.05492	17.8
80.05000	2.8
81.03417	6.0
81.05775	1.9
81.07050	19.3
82.06573	5.4
83.04981	1.3
83.08606	6.3
85.02886	2.2
85.06509	2.9
87.04461	2.9
89.06001	0.8
90.11580	0.7
91.05467	7.8
93.07037	26.1
94.06563	19.0
95.04970	4.9
95.05471	0.7
95.08601	30.7
96.08106	2.8
97.02840	1.0
97.06526	6.3
97.10146	2.9
99.82480	0.8
103.05470	1.5
105.04430	0.7
105.06375	1.1
105.07028	12.9
107.04932	0.9
107.07306	2.2
107.08584	2.1
109.10155	5.6
110.09674	9.9
111.07356	1.5
111.08070	17.5
113.09559	0.7
119.08536	1.0
121.06465	0.8
121.10110	1.3
122.09661	36.2
123.04421	1.3
123.08061	31.5
123.11654	2.2
128.10709	31.8
131.08537	0.9
133.10097	1.4
135.11670	1.2
137.13261	1.3
140.10695	100.0
141.09093	18.7
141.10983	1.0
145.10083	1.2
147.04407	1.5
147.11658	1.1
153.01805	1.6
158.11758	8.0
165.31485	0.7
241.14677	0.8
253.25336	1.3
298.27475	8.5
324.28946	1.1
390.33499	1.0
402.33643	1.5
406.89450	1.0
408.34677	9.4
420.34720	10.3
438.35764	80.2
439.26807	1.0
439.36047	2.3
456.36829	53.4
457.37354	1.1
495.29019	1.4
617.15234	0.9
619.33929	0.8
637.36420	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.3
53.03945	9.3
53.57922	0.9
55.01869	11.6
55.05261	1.7
55.05506	24.1
57.03428	10.8
57.07060	1.9
59.04999	2.5
65.03919	2.2
65.18595	0.9
67.05498	32.3
69.03422	19.1
69.07067	8.2
70.03763	1.1
70.79219	1.4
70.79556	2.1
71.01350	2.5
71.04976	9.3
77.03901	1.0
79.05484	31.2
81.03410	100.0
81.07045	34.8
81.11538	0.9
83.01329	5.3
83.04974	27.0
83.08611	19.4
85.02899	18.5
85.05305	1.0
85.06523	2.9
87.04488	1.7
89.06035	1.9
91.04903	1.6
91.05473	32.6
93.07034	30.1
95.04960	28.3
95.08591	14.7
97.02886	18.5
97.06515	7.8
97.10158	6.6
99.04443	7.6
101.02402	1.2
103.05460	1.5
105.07021	19.4
107.04939	15.5
107.08582	17.4
109.02864	19.5
109.06511	7.5
109.10143	6.3
111.04427	16.9
111.08050	7.8
113.06010	1.8
115.05487	1.7
117.07005	11.2
117.29816	1.0
119.04910	1.5
119.08574	19.4
121.02865	1.0
121.06498	5.7
121.10134	11.3
123.04385	4.4
123.08061	4.3
123.11684	2.8
125.06008	2.2
125.09642	5.9
127.03886	11.5
128.06213	1.7
129.05437	1.4
129.06976	8.0
130.07777	1.4
131.04953	1.3
131.08551	10.2
133.06468	3.8
133.08614	1.0
133.10115	8.0
135.08063	3.2
135.11664	9.3
137.05962	2.7
137.09607	2.1
141.06924	1.2
142.07707	1.3
143.08588	2.5
145.06473	2.7
145.10114	14.3
147.04413	2.9
147.08049	3.7
147.11687	10.5
149.05989	2.3
149.09613	5.0
151.03938	1.3
151.07518	1.3
151.11226	2.1
153.12729	9.2
155.08560	2.3
157.10088	8.3
159.04335	1.0
159.08052	1.9
159.11719	1.5
161.05988	2.7
161.09599	2.6
163.11162	18.7
165.05424	1.5
165.09091	2.3
165.12752	2.8
171.08083	1.7
173.04489	4.4
173.05759	1.1
173.09648	3.2
175.11145	10.0
181.12204	7.1
183.08037	1.0
189.11226	3.0
189.12735	1.3
191.10591	7.4
193.12233	26.3
205.12262	1.5
209.11673	6.6
211.13264	40.0
213.12737	1.4
214.50119	1.0
221.11490	1.3
223.13292	1.4
225.11212	1.0
227.12743	17.4
229.14375	3.1
231.13751	1.4
238.18097	1.0
249.14926	3.2
261.15176	1.2
265.14352	3.5
267.15903	10.1
272.00317	1.1
273.14807	2.6
283.15436	13.2
285.17041	4.2
289.14435	2.3
301.14267	2.4
315.18073	1.5
319.15384	2.1
335.15115	1.6
337.16473	2.8
353.15933	5.4
355.17651	7.4
365.21017	1.0
367.11661	1.1
375.18030	1.3
383.22095	4.3
391.17319	1.3
393.18961	1.2
401.23401	2.8
409.18707	2.4
411.19894	4.8
427.19781	4.1
435.54156	0.9
440.31143	1.4
457.25916	5.7
475.26889	15.0
493.27878	15.5
517.28094	1.2
541.27765	1.4
545.27600	1.6
559.29364	1.3
563.28204	1.7
583.29126	1.4
601.29645	2.2
618.04980	1.1
619.31091	8.8
637.32068	80.0
637.41125	9.3
638.32751	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	636.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27391	0.4
52.36926	0.5
53.03929	1.4
55.01855	1.8
55.05501	10.4
57.03430	9.5
57.07046	0.9
59.04994	3.6
60.54286	0.5
61.02920	4.4
62.47268	0.4
65.03919	1.2
66.14204	0.4
66.34921	0.5
67.05496	56.0
69.03424	4.3
69.07066	5.5
70.06541	0.7
70.79307	0.9
70.79677	1.1
71.04993	4.3
73.02882	1.5
77.03895	0.5
79.05481	11.1
81.03409	32.5
81.07045	18.4
83.04480	0.6
83.04969	8.1
83.08612	15.5
85.02895	15.5
85.06540	2.7
87.04443	1.9
89.06030	6.2
91.03967	2.5
91.05470	17.1
91.41228	0.5
93.06465	0.7
93.07029	10.0
95.04956	13.2
95.08596	8.3
97.02874	4.6
97.06530	3.1
97.10144	2.5
97.93912	0.5
99.04387	1.2
99.08054	1.3
105.07009	10.6
107.04933	3.9
107.08578	5.9
109.02861	1.1
109.06485	2.4
109.10142	55.5
110.07894	0.5
111.04402	1.7
111.08069	7.9
113.05968	1.4
115.05363	0.6
117.06988	1.2
119.04910	1.1
119.08563	13.4
121.06455	3.2
121.10126	5.2
123.04372	1.1
123.08034	1.6
123.11708	1.0
125.05919	0.5
125.09631	0.9
127.03873	1.8
127.11214	0.5
129.06982	5.5
131.08542	5.6
133.06496	2.9
133.08588	4.5
133.10124	6.3
133.45410	0.5
135.11659	1.0
137.09563	3.9
137.13219	0.5
142.07747	0.7
145.04904	0.7
145.10115	1.9
147.04356	1.1
147.08032	6.6
147.11688	7.7
149.09602	4.8
153.01817	1.2
155.10625	2.1
157.10104	7.8
159.11636	0.8
161.09546	1.1
163.11160	1.3
165.12735	2.2
173.09502	0.8
173.11720	16.0
175.11157	10.4
177.11179	0.6
181.12225	0.7
191.10562	1.3
193.12212	23.6
211.13260	34.1
212.13615	0.5
229.14322	58.0
230.14688	0.7
238.17804	0.7
245.18900	1.0
249.14923	0.9
267.15875	13.3
277.21582	1.5
285.16937	31.4
289.21619	1.8
315.17950	1.6
333.24088	0.6
341.19498	1.0
355.21161	0.8
403.24634	1.5
421.25812	16.9
439.26736	100.0
440.26965	2.2
457.31509	0.7
581.53418	0.5
583.30811	0.5
637.32434	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	636.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.01866	2.9
55.05262	1.1
55.05507	12.5
56.96570	1.0
57.03429	10.3
57.07063	1.5
59.04987	3.2
60.54136	0.7
61.02926	4.2
65.03920	1.7
67.05498	58.9
68.54801	0.7
69.03426	6.0
69.07059	9.3
71.04983	4.1
73.02901	1.9
79.05487	13.5
81.03411	35.4
81.07050	21.0
83.04982	8.3
83.08129	1.6
83.08607	18.3
85.02428	1.4
85.02899	16.8
85.06541	3.7
87.04462	2.1
89.06019	13.6
91.03931	2.5
91.05468	21.4
93.07034	14.8
95.04963	14.6
95.08598	10.2
97.02881	7.0
97.06512	2.1
97.10159	4.0
98.20803	2.0
99.08080	1.6
103.03912	1.3
105.07021	12.6
107.04945	4.4
107.08581	8.5
109.02861	1.5
109.06505	3.4
109.10144	56.1
111.04440	2.6
111.08073	9.9
113.05984	1.6
117.07000	2.2
119.04945	1.1
119.08572	16.5
121.06493	5.1
121.10140	7.5
123.04393	2.6
123.08043	1.8
123.11686	1.7
124.04698	0.7
125.09635	1.2
125.13289	1.0
127.03907	2.8
128.06151	0.8
129.06976	5.5
131.04927	1.0
131.08574	8.6
133.06477	7.0
133.08586	9.0
133.10118	8.1
135.08015	2.6
135.11681	2.5
137.05995	0.8
137.09613	3.1
139.03824	0.8
142.07805	1.5
143.08574	0.8
145.04941	2.1
145.10110	3.3
147.04379	4.0
147.08031	9.6
147.11674	8.2
149.09616	5.1
149.13248	1.1
151.03848	0.9
153.01822	3.7
155.08562	1.1
155.10661	2.6
157.10106	8.4
159.11653	1.3
161.09610	4.5
163.11172	1.3
165.09039	1.4
165.12718	2.2
170.15475	0.8
171.11757	1.2
173.09476	1.3
173.11742	12.9
173.13152	1.4
175.11163	11.2
177.09045	1.0
177.11174	2.0
177.12648	1.1
184.07295	1.1
191.10681	1.3
193.12228	25.9
194.12535	0.8
205.12248	0.8
211.13271	35.9
212.13672	1.0
227.12776	1.3
227.20508	0.7
229.14326	59.3
230.14670	1.1
238.17969	0.8
245.19006	3.3
249.14888	0.9
251.78810	0.8
267.13297	1.6
267.15878	14.3
271.20511	1.0
277.21619	7.3
285.16943	30.2
289.21591	7.0
311.93497	0.8
315.18024	1.4
333.24179	2.5
341.19684	1.2
355.21042	6.3
403.24863	1.4
421.25812	20.4
422.25699	0.9
439.26602	100.0
440.27170	3.0
457.31638	1.2
583.31317	1.4
637.32196	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	635.3939
Annotation	Myriceric acid B
Peak:m/z	Relative Intensity
50.90648	0.7
53.03930	1.1
55.05500	3.2
57.07063	1.6
59.46912	0.9
67.05499	6.7
69.07073	6.9
69.48471	6.5
69.52718	0.8
71.04964	0.9
79.05485	4.4
81.03391	1.6
81.07061	11.0
83.08611	3.9
87.63905	0.9
89.03911	5.0
89.80840	0.9
91.05489	5.2
93.07039	10.4
95.04958	2.7
95.08604	15.4
97.10175	1.4
98.21516	1.4
105.07014	11.3
107.04930	1.8
107.08591	12.5
109.10149	13.2
117.03371	8.9
117.07012	2.0
119.08582	16.5
121.06540	0.9
121.10139	37.4
123.11684	6.1
129.06995	1.2
131.08556	4.1
133.09135	1.1
133.10132	17.0
135.04408	19.5
135.08209	1.0
135.11694	15.8
137.13239	3.7
142.07748	1.1
143.08546	1.6
145.02823	8.3
145.10117	6.4
147.11688	6.4
149.13240	7.8
155.08598	1.4
157.10121	2.4
159.11719	8.1
160.38660	0.9
161.13248	8.3
163.03905	100.0
163.11128	1.0
163.14806	4.9
171.11655	2.1
173.13287	8.0
175.14819	9.1
177.12700	1.2
177.16400	4.6
179.14310	14.5
181.04956	13.1
185.13306	1.8
187.14835	9.3
189.16457	5.4
191.17960	2.5
193.15941	5.0
195.11719	1.0
197.13220	1.0
199.14832	1.8
201.16425	5.2
203.17920	8.5
205.15834	2.3
207.17368	1.4
213.16354	3.5
215.17924	7.7
217.19553	1.4
219.17520	1.3
227.17964	2.2
229.19518	18.0
231.13770	1.2
231.21069	3.7
241.19534	2.6
243.20992	3.3
249.18364	1.5
253.19527	1.8
255.21046	3.1
257.22522	1.0
261.18475	1.0
263.20618	0.9
266.10004	1.0
267.21024	2.0
269.22620	0.9
275.20087	6.7
289.34360	0.9
301.20212	1.0
315.03497	1.1
327.22937	1.2
351.30295	1.9
391.33496	8.4
397.31027	3.1
399.17886	1.1
409.34683	13.7
427.35635	2.4
437.34113	9.2
455.35236	12.4
496.37921	1.5
575.24841	2.7
617.38141	4.1
635.25488	1.9
635.35327	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.7
55.01865	7.4
55.05507	25.7
57.03429	8.0
57.05586	1.8
65.03947	2.5
67.05501	57.9
69.03434	23.7
69.07070	9.8
71.04984	8.3
71.60291	2.7
79.05489	75.0
81.03416	89.6
81.07057	55.0
81.09042	2.1
83.04976	26.5
83.08620	19.1
85.02902	21.5
85.06535	5.9
91.05482	69.7
93.07040	54.9
95.04961	38.0
95.08606	28.8
97.02898	21.5
97.06513	8.3
97.10165	7.0
99.04468	5.7
105.07028	48.4
107.04964	14.0
107.08588	21.4
109.02869	15.3
109.06522	9.5
109.10163	9.6
111.04445	9.4
111.08086	7.3
115.05451	4.3
117.07023	9.2
119.04923	3.0
119.08578	33.1
121.06500	7.3
121.10120	10.5
121.55825	2.2
123.04447	9.0
123.08087	8.9
123.11652	3.2
125.09653	4.7
127.03925	13.2
128.06268	3.9
129.06999	26.0
131.04910	2.8
131.08556	19.1
133.06497	5.9
133.10123	15.5
135.08076	3.3
135.11711	4.5
141.06958	3.1
142.07777	3.1
143.08574	9.2
145.06474	5.8
145.10114	13.1
147.04443	3.5
147.08017	7.1
147.11676	33.8
149.06036	2.7
149.09637	5.7
153.01854	5.7
155.08533	4.7
157.06467	3.8
157.10092	12.2
159.08081	2.4
159.11674	5.4
161.05994	2.7
161.09657	4.4
161.13220	6.0
163.11179	5.4
165.12712	2.7
169.10158	4.8
171.08063	2.7
171.11711	21.8
173.04475	8.8
175.07533	2.0
175.11165	12.2
181.12291	4.7
183.11763	2.8
185.13336	2.7
189.12764	8.1
191.10681	3.7
193.12230	22.9
195.11751	2.3
207.13765	23.4
211.11258	4.0
211.13254	36.9
225.14978	3.5
227.12782	5.6
254.82437	2.5
263.16693	2.8
267.15900	13.1
269.15372	2.8
273.14844	2.4
281.17484	23.2
285.16995	5.4
287.16336	7.1
305.17426	2.9
337.16562	5.1
351.18362	3.0
355.17413	9.6
361.19659	2.4
411.20151	8.5
473.29041	16.4
491.30338	16.6
571.32904	2.8
581.30841	3.2
599.32013	4.1
617.32953	9.8
635.34204	100.0
636.34381	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	634.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.5
55.01857	1.8
63.92483	0.4
65.03659	0.5
65.03940	7.0
67.05508	1.7
69.03412	1.0
69.07047	0.7
70.06585	7.4
70.07817	2.6
70.50143	0.4
71.61768	0.4
72.08144	0.5
75.04451	1.4
78.04692	0.8
79.05468	1.7
81.03398	1.3
81.07031	1.2
82.01947	0.5
82.04169	1.2
84.69826	0.5
85.02878	1.6
86.09686	1.8
89.06040	0.6
91.05478	5.3
93.03403	4.0
93.07021	2.0
95.01296	0.7
95.04959	1.3
95.08572	1.1
95.95129	0.5
97.02898	0.7
97.06516	0.9
98.20741	0.8
103.05460	1.8
105.07040	1.4
106.04163	5.2
107.04944	3.5
107.08567	0.5
109.02828	0.6
110.03651	5.8
110.07153	2.2
111.03702	0.7
111.04429	9.3
115.05421	0.8
118.06471	0.6
119.04923	1.7
119.08628	0.4
121.02850	6.1
121.06494	7.3
121.10117	1.0
122.09662	0.6
123.04399	4.0
125.05058	0.7
125.05968	11.1
127.03888	1.0
131.04939	1.5
131.08563	0.7
133.06508	0.7
133.10115	0.6
134.03609	1.1
135.04384	1.3
135.11656	0.5
136.07487	0.9
137.05942	2.1
139.03880	1.8
139.07533	0.9
145.06461	1.1
146.05986	0.9
147.04396	2.3
147.08022	1.0
147.11613	0.6
148.05212	1.0
149.02303	1.5
149.05974	10.9
150.09119	5.3
151.03836	0.8
151.07500	2.0
153.01826	6.9
153.05444	18.8
153.09059	3.1
157.06444	0.5
159.04437	0.6
159.08012	1.0
161.05916	2.6
161.09610	1.9
163.03864	2.2
163.07491	1.1
165.05461	1.0
165.06967	1.0
167.07077	5.1
167.08427	1.0
173.05997	0.6
174.06680	0.6
175.07532	1.0
177.05452	8.7
178.07747	0.9
179.08543	0.5
180.61113	0.5
181.04932	1.4
181.06361	1.0
181.08575	8.2
182.07213	0.8
189.09181	0.9
191.03310	0.5
191.07027	1.4
193.08517	0.9
193.10184	0.8
194.07210	0.6
195.06438	0.8
195.08034	1.7
197.06052	0.6
197.09602	0.8
199.07587	0.6
205.06570	0.6
207.08084	1.0
209.08052	43.4
210.06737	1.4
211.07532	2.0
212.08307	1.0
219.07898	0.6
219.09995	0.7
221.06046	1.0
221.09566	1.9
222.06796	0.5
222.10403	0.8
223.07507	1.9
223.11151	0.8
224.08319	0.8
225.05431	0.6
225.09091	3.4
227.07095	1.1
227.10614	1.2
229.14455	1.2
232.37344	0.5
234.06819	1.3
235.07515	0.6
237.09091	1.7
238.06183	1.6
238.09856	2.0
239.07030	2.4
239.10635	1.4
240.07802	5.3
241.08646	1.4
248.08308	0.5
249.05621	0.7
249.09026	2.1
249.11281	1.5
250.09767	0.8
251.06979	1.4
251.10820	0.8
252.07733	1.7
253.08574	13.0
253.12201	4.3
254.09254	2.2
255.06516	1.8
255.10178	3.7
257.08014	1.3
257.11789	0.5
263.07050	0.8
265.08661	1.2
266.09314	2.6
267.06689	1.0
267.10101	2.9
268.07169	1.6
269.08035	1.9
270.08865	1.9
270.12234	0.6
271.13037	0.7
277.08527	1.1
279.06689	0.6
279.10065	0.6
280.07419	0.6
281.08066	3.1
281.11716	6.0
282.08844	1.6
283.09613	5.8
284.10443	2.6
285.07904	0.6
285.11093	2.5
285.14426	1.1
285.16977	2.0
294.08893	0.9
295.09698	2.7
296.10117	0.7
297.11047	1.1
298.08499	0.6
298.11908	2.2
299.12747	6.3
300.09900	1.0
303.15665	0.9
309.11136	6.0
310.11844	1.8
311.09091	0.6
311.12457	0.6
313.10660	9.3
313.14331	3.8
315.07245	0.6
327.12228	24.8
328.13013	2.0
331.15427	3.6
339.12299	0.7
341.13797	3.2
343.15332	1.0
345.16852	1.0
359.14838	100.0
360.15131	1.7
361.16418	1.9
371.14911	6.4
389.15756	2.0
419.17010	1.2
493.27350	0.6
530.73529	0.6
540.24304	0.5
577.75122	1.0
598.23462	0.8
634.26581	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
57.07072	29.4
59.04982	0.8
67.05498	0.8
69.03408	0.8
69.07066	5.7
70.61180	1.2
71.08627	41.4
73.02913	0.7
73.06551	8.0
74.09687	0.5
78.15085	0.4
79.05483	0.6
83.08601	0.9
87.04464	10.1
89.06026	100.0
90.06355	1.1
91.05458	0.5
91.07608	0.5
93.07034	0.5
95.04967	0.4
107.04980	0.5
107.07062	6.5
107.08612	0.7
111.11715	0.8
113.13281	4.4
114.95757	0.4
117.09125	10.2
117.09897	0.8
119.08546	0.4
121.21295	0.4
130.08629	4.4
131.07050	2.8
133.08594	51.4
135.10158	1.3
143.08546	0.5
157.15880	7.9
161.11702	2.4
175.08379	0.4
175.09605	2.1
177.11215	21.0
179.12758	1.0
195.12187	0.6
198.18552	3.0
201.18483	13.8
219.12244	0.6
221.13837	4.6
223.15465	0.5
239.14883	1.7
245.21112	9.5
245.23502	0.8
265.16452	0.8
283.17468	2.0
309.19238	0.6
313.75964	0.5
327.20084	1.3
371.22687	0.6
395.29971	0.8
415.25568	0.5
503.30472	2.2
527.37781	0.7
546.54840	0.5
571.40649	0.5
615.43066	7.5
632.46228	5.9
649.11475	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.3
53.03933	0.4
53.34854	0.2
55.01862	0.5
55.05501	0.8
57.07069	0.3
63.16471	0.2
65.03946	0.4
67.05504	2.0
68.99768	0.9
69.03427	0.3
69.07062	1.6
71.04977	0.2
72.96463	0.2
77.03918	0.5
79.05479	0.9
81.07047	3.9
83.04969	0.3
83.08609	1.2
85.02900	0.2
85.06553	0.2
89.06030	0.5
91.05478	0.8
93.03368	0.2
93.07027	1.3
95.04964	1.5
95.08598	3.9
97.02871	0.2
97.10156	1.0
99.04479	0.2
99.08099	0.2
105.03388	0.7
105.07037	0.6
107.04929	0.3
107.08596	1.2
109.06522	0.3
109.10139	2.1
111.00813	1.0
111.04460	1.7
111.08043	0.4
111.11700	0.5
113.09670	0.2
117.06991	0.3
119.04916	0.4
119.08575	0.8
121.10133	1.3
123.04419	100.0
123.11663	1.4
124.04784	0.3
125.09563	0.4
127.03912	0.5
131.08586	0.4
133.08578	0.3
133.10112	0.6
135.04411	1.1
135.11685	0.9
137.05984	0.6
137.13232	0.4
139.03891	69.1
139.11169	0.3
145.10104	0.3
147.04393	3.3
147.11705	0.5
149.05936	0.2
149.13243	0.7
151.03893	7.7
151.14812	0.9
153.01807	0.4
153.05463	0.8
161.05974	0.5
161.13232	0.4
163.03909	1.5
163.07558	0.8
163.11139	0.2
163.14789	0.5
165.05461	0.8
165.12727	0.3
165.16368	0.2
169.12213	0.2
169.65031	0.2
173.13255	0.3
175.07384	0.3
177.05460	0.3
180.72656	0.2
181.04935	0.3
187.07568	0.2
189.05464	0.7
189.16403	0.4
191.17902	0.2
193.15857	0.3
197.15329	0.2
201.16434	0.2
207.17421	0.2
227.06917	0.3
229.21552	0.2
231.06317	0.2
237.18382	0.3
255.06497	0.3
271.05930	0.2
271.24313	0.2
273.07559	21.0
277.25269	0.4
285.07541	3.1
289.25235	1.1
291.08618	2.1
295.26312	0.3
303.08615	0.4
307.26279	2.3
323.16351	0.3
325.27380	0.6
329.17548	0.3
417.33365	0.2
427.28381	0.3
441.29956	0.4
445.29459	0.4
567.32666	0.4
579.32947	0.7
597.33759	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.6
55.01858	0.6
55.05498	1.7
57.07071	0.4
65.03926	0.8
65.57277	0.3
67.05499	2.6
68.99775	0.8
69.03399	0.5
69.07066	2.9
69.49232	0.7
69.49645	2.2
71.25076	0.3
77.03903	0.7
79.05470	0.8
81.07053	6.5
83.04967	1.0
83.08608	1.0
85.02894	0.8
85.06536	1.1
91.05463	1.1
93.03363	0.4
93.07045	1.8
95.04950	1.1
95.08600	3.8
97.02903	0.5
97.06493	0.6
97.10167	1.8
101.99238	0.3
105.03384	0.9
105.06989	1.6
107.08590	3.2
109.10133	2.4
111.00806	1.0
111.04433	2.4
111.11737	0.5
117.07033	0.5
119.04929	0.4
119.08580	1.3
121.10104	1.9
123.04414	100.0
123.11691	8.4
124.04742	0.4
125.09588	0.5
127.03934	0.8
133.10126	1.2
135.04404	1.4
135.11684	1.1
137.05980	0.4
137.09592	0.4
137.13232	1.3
139.03888	83.8
139.11150	1.5
140.04211	0.5
145.10124	0.6
147.04405	3.6
147.11665	1.1
149.13255	2.7
151.03899	6.8
153.01770	0.6
153.05428	0.8
155.14256	0.6
157.12218	1.8
159.11684	0.5
161.05995	0.5
161.13319	0.5
163.03920	1.7
163.07515	1.0
163.14735	0.5
175.14854	0.5
177.05421	0.6
185.13171	0.5
189.05499	0.7
189.16498	0.4
203.12772	1.6
203.17934	0.7
210.00192	0.4
221.19017	0.6
227.07129	0.4
233.11705	0.6
239.20128	0.5
245.04422	0.4
249.18593	0.4
255.06554	0.6
273.07556	22.2
274.08160	0.4
275.23877	0.4
285.07422	2.2
287.23688	0.5
291.08743	1.7
293.24631	2.0
298.95932	0.4
305.24701	8.0
306.25006	0.4
311.25687	0.7
320.20532	0.4
323.25803	7.0
341.26779	0.6
415.31494	0.7
425.26733	0.6
439.28580	0.5
457.29608	0.9
469.33414	0.5
577.31653	0.5
595.32440	0.9
613.32874	0.7
631.35437	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.7
52.28330	0.3
53.03936	0.4
55.01872	0.6
55.05500	1.3
57.07090	0.5
65.03932	1.0
67.05501	2.6
68.99790	0.6
69.03409	0.6
69.07051	1.2
71.04996	0.4
71.59075	0.4
77.03944	0.4
79.05491	1.6
80.09361	0.3
81.03419	0.5
81.07052	4.4
83.04986	0.9
83.08620	1.0
85.06555	0.5
91.05466	1.2
93.03365	0.3
93.07046	2.5
95.04453	0.3
95.04992	2.1
95.08597	3.9
97.02885	0.6
97.06540	0.3
97.10175	0.8
105.03394	1.4
105.07027	1.3
107.04952	0.5
107.08588	2.9
109.10157	2.2
109.10797	0.3
111.00791	1.2
111.04434	2.7
111.08037	0.5
117.07012	0.5
119.04906	0.5
119.08605	1.9
121.10122	2.2
123.04421	100.0
123.11693	1.3
124.04788	0.7
125.09628	0.3
127.03881	0.8
129.06955	0.3
131.04921	0.4
131.08549	0.5
133.10135	1.6
135.04398	1.3
135.08046	0.6
135.11650	1.5
137.05997	0.5
137.13240	0.4
139.03894	82.9
140.04210	0.7
142.07640	0.3
143.08498	0.3
143.14301	0.3
145.06337	0.3
145.10130	0.7
147.04396	4.8
147.11664	1.3
149.13254	2.9
150.09109	0.5
151.03897	7.5
153.01828	0.7
153.05453	1.1
157.10146	0.4
159.11693	0.6
161.05914	0.4
161.13268	0.9
163.03955	1.6
163.07578	0.8
163.14841	0.8
165.05463	0.9
167.07074	0.8
171.11624	0.3
173.13249	0.4
175.14888	0.5
177.05539	0.5
179.07074	0.5
185.13255	0.3
189.05472	1.0
189.16307	0.8
216.96378	0.4
255.06560	0.3
259.24292	0.5
269.22778	0.4
271.05945	0.3
273.07562	21.6
275.23639	0.3
277.25241	0.6
285.07532	1.1
287.23557	0.4
291.08664	1.3
293.24731	1.0
305.24744	3.9
311.25833	0.4
323.25800	1.3
338.82596	0.3
415.31976	0.7
425.26639	0.5
433.32767	0.6
443.27670	0.5
494.21704	0.5
559.29803	0.4
577.31653	0.7
631.35059	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
51.06349	0.2
53.03939	1.2
55.01866	0.8
55.05500	1.1
57.03424	1.0
57.07056	0.3
62.83267	0.2
63.74496	0.2
65.03951	0.3
67.05500	1.6
69.03426	7.9
69.07059	0.6
70.98103	0.6
71.04980	0.9
73.02909	0.3
75.04474	1.7
77.03930	0.5
78.04709	0.2
79.05056	0.5
79.05488	6.6
81.03410	5.4
81.07050	3.5
83.04956	0.5
85.02896	2.1
85.06565	0.3
91.05473	9.6
92.89507	0.2
93.07036	32.8
94.07388	0.3
95.04960	3.6
95.08598	2.4
97.02875	2.6
97.06531	0.8
99.04468	1.3
103.05463	1.1
105.04504	0.4
105.07021	4.5
107.04964	0.7
107.08569	3.7
109.02875	4.2
109.06515	0.6
109.10134	0.6
111.04421	0.7
111.08070	2.2
115.05444	0.3
116.06245	0.5
117.06998	0.5
119.04928	0.9
119.08573	2.0
121.06518	1.2
121.10133	24.3
123.04430	2.5
123.08044	1.2
123.11713	0.7
125.05976	0.4
127.03880	2.5
128.06241	0.4
129.03313	0.3
129.07002	0.6
129.35625	0.2
131.04913	0.7
131.08560	3.0
133.06494	0.6
133.10155	0.4
135.08057	0.4
135.11664	0.3
137.05960	1.1
139.03841	1.2
139.11153	1.0
145.04926	0.5
145.10094	0.5
147.04404	1.5
147.08032	0.8
149.06026	0.3
149.09612	8.9
151.03879	0.8
153.01790	2.0
157.02884	0.5
157.06433	0.4
159.04457	0.5
159.08041	0.9
159.11734	0.2
161.05962	0.8
163.03885	0.7
163.07501	1.9
165.06920	0.3
165.09103	0.3
167.07019	12.8
167.10654	0.7
168.07402	0.5
174.06821	0.3
175.03889	1.5
175.07426	0.4
177.05478	0.7
181.04903	0.6
185.02316	0.9
187.03883	3.6
187.07484	0.6
189.09082	0.5
191.03452	0.4
193.08548	1.2
193.11954	0.3
195.10027	0.4
197.06032	0.3
201.01779	0.7
203.03371	2.3
211.09763	0.6
213.01811	3.0
215.03383	2.9
229.01358	0.8
230.02090	0.5
231.02866	14.8
241.01311	2.6
247.02364	1.1
249.11198	5.6
257.00763	1.2
259.02368	25.8
260.02814	0.3
261.03952	0.5
273.07642	0.4
275.01785	1.8
276.02548	1.3
277.03406	100.0
278.03793	0.9
285.00208	0.9
289.03442	1.4
293.13812	0.8
303.01321	17.2
305.03052	0.3
310.11932	0.2
311.14938	0.4
313.10986	0.3
315.01321	0.9
321.02383	2.3
327.04990	0.7
355.04581	0.6
359.14722	0.6
360.15054	0.9
363.03494	0.5
397.30737	0.3
423.10471	0.6
433.33066	0.4
447.05646	1.7
451.10306	0.6
459.20148	2.4
465.06378	0.5
543.35541	0.3
613.15369	3.0
613.24158	0.4
631.16577	1.8
631.25549	0.5
631.35883	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2238
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
67.05431	0.9
69.06985	0.5
69.52245	2.2
69.52669	2.6
79.05411	1.2
81.06960	1.1
84.48043	0.6
91.05444	0.7
93.06969	0.9
95.08566	0.6
105.06963	0.9
107.08496	0.8
223.20050	0.6
327.88586	0.6
350.32623	0.6
396.11969	1.6
397.12714	2.9
398.13574	1.5
399.14294	1.1
400.15457	1.3
409.13208	1.1
410.13785	4.1
411.14557	6.7
412.15387	5.0
413.16156	5.1
423.14221	1.3
424.10889	1.3
424.15372	1.9
425.16211	16.1
426.16846	9.9
427.17621	3.4
428.18472	3.1
429.19006	0.8
437.11963	0.9
438.12091	3.6
439.13574	22.3
440.13513	1.5
440.19174	6.5
441.19272	43.4
442.19598	2.6
452.14572	2.5
453.15332	25.2
453.20911	0.9
454.15704	6.2
455.16821	1.2
456.18027	1.3
457.14410	1.2
459.20349	0.7
465.15262	0.9
466.11774	0.7
467.17136	27.7
468.17841	23.3
469.18787	11.7
470.18817	1.0
471.16745	1.8
472.17606	0.9
480.16653	2.2
481.14481	10.3
482.15829	1.9
483.15726	0.9
484.22003	2.9
485.17917	2.1
485.22610	1.1
486.18704	1.3
494.18073	1.2
495.16949	3.1
496.17166	14.3
497.17590	1.1
498.18646	1.5
499.19760	2.0
500.20755	5.0
509.18930	2.4
510.19745	0.9
512.21552	2.9
513.21973	4.9
523.19940	2.8
525.17444	0.7
527.19202	0.7
528.19855	1.5
531.21942	0.7
535.20197	0.7
537.19122	1.3
541.20825	47.9
542.20966	2.9
553.20941	1.7
559.21783	0.7
569.20264	100.0
570.20709	5.2
572.19672	0.8
573.23297	2.2
597.19751	31.2
598.20013	1.4
600.22052	1.9
601.22919	15.9
602.22870	0.9
615.20862	1.7
629.22314	99.7
630.22534	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	630.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.8
56.05009	0.5
57.07068	6.1
58.06586	1.9
65.03937	0.6
68.05028	0.4
68.42397	0.4
69.03429	0.4
69.52781	3.7
70.06588	17.5
70.23045	0.4
70.50082	0.4
71.08621	1.2
74.06067	0.5
78.45602	0.5
79.05440	0.5
81.03391	0.5
81.07054	1.0
84.08144	0.6
85.10159	1.0
88.07626	20.0
92.44638	0.4
95.04960	0.5
97.49902	0.5
98.20640	0.5
102.09171	12.8
107.08611	0.4
116.35073	0.4
123.04404	0.6
131.05011	0.5
135.11700	0.4
139.03900	0.7
144.24045	0.4
147.04462	0.6
149.02332	27.8
156.86682	0.4
175.03960	0.8
177.05431	1.0
184.20651	0.6
193.04953	36.8
219.06548	1.7
225.05574	1.2
228.23218	40.9
237.07545	10.4
269.04523	1.3
272.25958	1.0
297.04059	2.5
313.07144	1.8
341.06558	6.6
359.07645	5.4
385.09155	16.1
429.11810	23.7
431.03152	0.5
581.46887	0.6
612.31305	1.1
630.32684	100.0
631.33014	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1547
Annotation	Myricetin 3-robinobioside
Peak:m/z	Relative Intensity
51.44538	0.2
53.03940	0.2
54.16046	0.2
55.05476	0.2
57.03437	1.5
61.02913	0.5
62.24918	0.2
64.87830	0.2
68.99783	0.5
69.03423	0.9
70.74590	0.3
71.01348	0.2
71.04990	10.6
73.02910	0.3
75.04462	0.7
76.58363	0.2
81.03396	0.4
83.04966	0.6
85.02901	15.7
87.04450	0.3
90.44208	0.2
93.60749	0.2
97.02884	1.3
99.04435	0.2
108.34046	0.2
109.02871	0.9
111.00799	1.3
111.04463	0.4
125.39035	0.2
127.03907	0.9
129.05475	4.0
137.02309	0.8
145.04939	0.8
147.06506	1.3
153.00546	0.3
153.01819	6.2
165.01828	2.3
166.02597	0.3
179.03360	0.8
183.02835	0.7
189.05463	0.4
193.01364	0.2
195.02890	0.6
203.03369	0.4
209.72435	0.2
217.04955	1.7
245.04431	2.5
249.24904	0.2
255.02884	0.5
263.05396	0.4
273.03903	2.9
274.04330	0.2
290.04144	0.8
301.03424	0.7
303.04953	1.4
319.04465	100.0
320.04764	3.2
481.09860	0.9
547.31464	0.2
571.26556	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39455	1.7
53.03939	6.7
55.01874	20.2
55.05505	17.7
57.03438	8.2
57.07066	3.0
65.03930	2.5
67.05501	49.9
69.07064	48.1
69.59404	11.9
69.59819	2.6
71.05000	2.8
79.05490	34.2
81.03423	6.5
81.06582	3.6
81.07056	47.9
83.04980	7.2
83.08611	9.1
91.05476	41.3
93.07042	36.7
95.01359	3.2
95.04972	9.3
95.07336	1.7
95.08601	35.7
95.09162	2.7
97.06527	23.4
97.10176	6.6
98.21519	3.2
99.08111	3.6
101.04207	1.7
104.13659	1.6
105.07024	44.1
107.04951	9.9
107.08592	26.0
109.06525	5.2
109.10151	12.2
111.08085	3.7
115.05465	3.6
116.21614	1.8
117.07008	18.3
119.08570	30.2
121.06526	4.3
121.10128	14.9
123.08080	5.1
123.11669	3.7
125.09677	3.9
128.06224	2.1
129.06982	11.6
131.08565	26.5
133.06503	2.1
133.10114	28.8
135.08060	4.4
135.11685	11.8
137.09619	3.0
137.13304	2.4
141.07027	6.4
141.40825	1.7
142.07750	4.3
143.08536	18.0
144.09326	2.4
145.06493	4.1
145.10123	28.6
147.11667	16.6
148.49088	1.9
149.09633	7.5
149.13251	6.7
151.11212	2.0
155.08563	10.1
157.10129	18.1
159.08202	2.2
159.11682	19.0
161.13264	12.6
163.11174	4.3
163.14833	3.9
167.08574	3.5
169.10141	13.8
171.11642	14.5
173.09691	3.7
173.13283	12.4
175.14850	7.1
178.07693	1.7
179.14381	3.4
181.10156	7.9
183.11729	9.9
185.13225	12.0
187.11249	2.8
187.14813	4.8
189.12807	2.2
193.10275	2.3
193.12172	2.1
195.11728	6.6
197.13297	5.5
199.11209	2.8
199.14879	6.8
201.12891	2.8
203.14359	2.7
205.12401	2.2
207.11827	1.7
209.13223	5.6
211.14801	2.8
213.16429	4.4
215.18018	2.4
217.15979	2.1
221.13255	2.3
223.14836	3.5
225.16414	2.5
231.17523	1.9
237.16371	2.6
239.18080	2.9
241.19583	9.2
245.19089	2.5
257.18997	6.4
259.20618	13.9
265.19867	1.9
273.18588	2.1
275.20078	27.0
276.20377	2.6
290.80249	1.8
293.21082	2.3
297.22180	2.1
315.23248	2.6
325.25143	2.1
333.24289	13.8
339.27148	1.8
349.23685	19.2
419.32950	3.6
435.32565	5.4
437.34146	13.8
445.31320	1.9
455.35538	2.3
501.35855	3.0
509.36697	2.5
511.37839	10.2
513.35522	7.8
515.38934	4.5
527.37268	12.4
529.38763	6.4
533.40045	6.4
551.41022	6.1
556.37341	3.5
589.42859	2.4
597.45374	3.1
607.43530	55.4
608.43982	3.0
625.44525	100.0
626.44818	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	625.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	1.9
53.03928	4.5
55.01870	24.5
55.05510	17.9
57.03423	4.9
57.07052	5.8
66.89268	2.4
67.05500	41.6
69.07062	66.1
70.94239	2.7
70.94593	5.2
71.04980	3.5
71.08612	2.1
79.05062	2.5
79.05488	37.5
81.03391	6.0
81.07043	53.1
83.04973	8.5
83.08621	10.8
85.06538	5.3
90.13305	1.9
91.05473	38.2
93.07032	32.8
95.01312	4.8
95.04967	7.7
95.08601	29.5
97.06523	34.7
97.10167	6.3
99.08059	4.1
105.07023	47.0
107.04942	11.5
107.08600	18.0
109.06505	4.9
109.10160	12.4
111.08092	4.7
117.07002	17.4
119.08570	38.1
121.06456	2.3
121.10123	14.2
123.08043	5.5
123.11671	2.7
125.09641	5.7
126.16431	1.9
128.06186	3.7
129.06989	10.0
131.08553	27.1
133.10130	27.1
135.08054	3.8
135.11670	15.4
137.09628	3.7
139.11180	3.3
141.06963	7.8
142.07721	2.3
143.08560	21.6
145.06490	5.0
145.10101	31.1
147.08029	2.7
147.11684	20.4
149.09607	7.9
149.13254	3.6
155.08522	9.9
157.10117	18.5
159.11668	23.2
161.13226	15.1
163.11177	2.8
167.08562	5.8
168.09468	2.0
169.10072	11.6
171.11617	17.6
172.98286	2.0
173.13242	15.5
175.11124	2.6
175.14832	8.8
177.12708	2.1
179.08662	2.6
179.14339	7.2
181.10149	8.9
183.11650	14.4
185.13264	14.8
187.11305	2.2
187.14833	8.3
193.10117	4.1
195.11700	8.7
197.13292	11.3
199.14832	7.4
207.11731	2.9
209.13295	5.4
211.14853	7.1
213.16397	5.8
221.13326	2.5
223.14877	4.1
225.16528	3.7
231.21045	2.8
237.16516	2.2
239.18007	4.5
241.19577	12.5
245.18921	2.6
247.20782	2.9
249.16443	2.5
255.17511	2.1
257.19046	6.0
259.20587	14.4
265.19705	3.5
273.18515	3.2
275.20026	35.9
277.21805	2.3
291.19803	2.2
293.21237	4.8
297.22046	2.7
313.21957	2.1
315.23407	4.7
325.21500	2.5
325.25168	2.5
333.24225	17.2
349.23697	28.2
417.31879	3.2
419.33035	3.7
421.31024	3.2
435.32596	5.7
437.34088	15.5
493.36893	2.8
497.37833	2.4
501.35443	3.1
510.59024	2.4
511.37643	13.7
513.35706	7.3
515.38928	4.9
527.37402	4.3
529.38818	7.5
533.39825	10.2
551.40912	6.9
555.36523	3.2
556.37445	4.0
597.44873	4.0
607.43512	63.4
608.43951	3.2
625.44550	100.0
626.44843	5.8
648.08661	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	625.409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.3
56.08906	3.1
57.03417	3.1
57.07062	11.9
67.05496	9.2
69.03419	15.7
69.07056	4.9
71.08608	9.1
71.30997	5.3
79.05463	9.2
81.07069	5.1
81.86308	2.9
83.04971	4.9
83.08636	4.1
85.10189	4.1
91.05453	8.8
93.07006	6.6
95.04954	7.2
95.08606	7.5
105.07008	10.2
107.08594	4.7
109.10118	5.6
117.35684	2.8
119.08575	6.5
121.06457	5.1
122.13985	3.2
123.04463	2.8
129.06973	7.2
131.08589	4.1
135.07990	3.3
140.19551	3.0
141.06906	7.7
143.08525	8.1
145.06512	4.3
147.08073	4.5
152.11023	2.8
153.06975	4.5
155.08539	8.7
156.09386	3.4
157.10115	4.5
159.08038	7.5
161.09596	3.6
165.06998	17.0
166.07724	8.5
167.08548	12.6
169.10179	4.0
171.08012	4.9
173.09502	4.0
178.07770	9.4
178.42900	3.2
179.08569	21.1
180.09312	9.2
181.06456	6.8
181.10095	17.4
183.08022	5.2
183.11700	7.2
185.09601	9.9
190.07713	5.7
191.08565	10.5
192.09377	15.2
193.10132	29.3
194.10873	5.6
195.08031	10.3
195.11719	18.3
196.08907	8.6
197.09576	11.1
199.07684	3.7
199.11082	5.1
202.07776	4.7
203.08571	8.0
204.09219	5.5
205.10126	28.6
206.10797	17.4
207.08127	5.1
207.11674	14.3
208.08847	13.2
208.12381	5.3
209.09642	28.5
209.13181	6.1
210.10307	7.6
211.11134	14.5
215.08578	9.2
215.10701	9.0
216.09271	3.7
217.10083	6.4
218.07275	6.6
218.10881	4.0
219.07991	11.3
219.11644	14.4
220.08878	8.1
220.12407	25.4
221.09584	18.7
221.13171	8.4
222.10379	13.5
223.11154	30.3
223.14740	7.3
224.08458	4.3
224.11922	6.6
225.12723	8.2
227.10696	3.3
229.10101	4.7
230.10855	17.8
231.11644	4.9
232.08780	8.6
233.09586	69.6
233.13199	5.9
234.10376	14.6
235.11131	28.8
235.14734	24.2
236.11778	6.1
237.08954	6.3
237.12611	7.6
239.10701	10.5
239.14253	3.8
245.13255	11.0
246.10408	7.6
247.11192	19.6
247.73875	2.9
248.11913	47.1
249.09021	7.9
249.12668	10.1
250.10114	3.5
250.13431	4.9
251.10651	14.0
251.14348	13.1
253.12239	9.3
253.15869	7.8
259.11093	5.4
261.09113	20.3
261.12759	8.0
262.13547	3.5
263.10754	5.2
263.14285	96.0
264.11423	4.8
265.12189	6.3
267.13843	4.9
273.12683	9.0
275.10620	11.3
276.11392	22.3
277.12128	3.3
279.13763	12.8
281.15317	31.9
291.13763	88.5
293.11658	6.3
305.15573	3.8
309.14825	100.0
312.52011	3.0
327.15958	8.9
333.15005	6.3
351.15805	9.5
369.16962	6.0
386.60812	3.2
565.38861	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3578
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
50.03619	1.7
53.03937	3.8
55.01870	4.6
55.05505	15.4
57.03431	5.8
57.94065	1.9
65.03938	3.2
67.05504	34.6
69.03436	3.3
69.07072	12.1
70.13760	5.2
70.14168	3.7
71.04984	5.0
79.05490	27.1
81.03412	6.5
81.07053	40.4
83.04996	3.1
83.08607	9.7
85.02943	2.5
91.05481	36.4
91.06009	3.0
93.07035	32.7
95.04949	8.3
95.08598	25.9
97.02891	2.4
97.06511	5.6
97.10162	5.3
103.05428	2.5
105.07021	36.9
105.07677	3.2
107.04996	4.6
107.08588	17.7
109.06535	3.3
109.10134	10.2
117.07008	15.2
119.08577	25.4
121.06473	5.0
121.10123	11.2
123.08096	3.9
123.11697	3.0
125.09632	3.2
128.06227	2.1
129.06992	13.5
131.08557	25.9
133.10129	17.1
133.50223	1.8
135.08041	4.2
135.11667	8.5
137.09612	2.5
141.07010	3.6
142.07777	3.1
143.08537	16.1
145.06479	2.7
145.10106	19.4
147.08066	3.3
147.11676	5.7
149.09625	3.0
149.13225	2.2
151.11179	2.2
155.08574	7.8
156.09341	2.0
157.10106	11.9
159.11661	11.2
161.09593	2.2
161.13292	2.1
163.11121	2.4
169.10179	9.4
171.11673	7.5
173.13284	5.0
175.11208	3.3
177.12781	2.8
180.09369	2.0
181.10136	4.7
183.11685	7.2
185.13260	8.2
187.14851	3.2
195.11665	2.9
197.13274	5.5
199.14871	4.2
201.12801	2.0
209.13306	6.1
210.56644	1.9
211.14856	4.2
213.16388	2.2
223.14827	3.8
233.15204	2.4
259.16986	2.5
275.20074	3.8
301.25085	2.8
323.23929	2.3
343.26257	4.0
353.24847	14.6
371.25729	17.8
389.26929	12.2
427.28397	3.2
445.29459	100.0
453.33569	2.2
463.30527	53.9
494.69873	1.8
509.35974	3.1
527.37189	22.7
533.39594	2.8
607.34344	3.2
607.43323	9.1
625.34436	6.3
625.44495	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	625.358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43790	0.8
55.01868	1.3
55.05514	8.1
57.03426	2.1
61.02924	0.9
65.03945	1.2
67.05502	18.7
67.05870	1.1
69.03419	1.2
69.07059	7.6
69.12209	0.8
69.58406	3.3
69.58840	4.6
71.04982	2.0
79.05492	16.2
81.03394	2.0
81.07051	20.8
83.04984	2.7
83.08607	3.5
83.64999	0.8
85.02895	1.7
85.06535	1.1
91.05476	20.0
93.07043	16.2
95.04967	3.2
95.08593	13.4
97.02835	1.2
97.06532	2.9
97.10169	2.5
98.20762	1.4
99.08054	1.0
105.07023	21.8
107.04916	2.1
107.08579	9.4
109.06535	2.8
109.10152	6.1
110.31995	0.9
111.08078	2.0
117.07007	11.1
119.04932	0.9
119.07791	1.3
119.08583	13.8
120.21407	0.9
121.06512	2.5
121.10109	6.7
123.11741	1.6
125.09653	2.1
127.03908	1.0
128.06155	1.0
129.06985	6.1
131.08559	17.2
133.06508	1.9
133.10112	8.4
135.08054	1.0
135.11714	2.9
137.20387	0.9
141.06985	2.4
143.08569	6.6
145.06493	2.3
145.10123	11.1
147.08081	2.7
147.11693	3.7
149.09625	2.2
149.13194	1.4
155.08508	4.6
157.10123	7.2
159.08067	1.2
159.11685	5.7
161.09567	1.6
161.13252	1.8
167.08578	1.1
169.10158	3.5
171.11700	3.8
173.09602	1.7
173.13287	2.7
175.11078	1.1
177.12672	1.0
181.10136	2.6
182.10834	1.0
183.11743	2.8
185.13333	1.4
187.14867	2.1
195.11702	2.1
197.13277	2.9
199.14819	1.9
201.12706	1.4
209.13326	1.7
211.15013	1.0
213.12744	1.1
223.14775	1.0
227.14410	1.2
269.17456	1.5
325.25195	1.1
335.23499	2.4
340.66782	1.0
343.26376	2.9
353.24774	7.2
371.25760	8.6
380.82016	1.1
389.26807	10.5
417.29871	1.0
427.28482	1.7
435.32620	1.0
445.29492	100.0
446.29681	2.5
463.30594	26.1
527.37323	10.1
538.50488	1.0
625.33679	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	625.1759
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
53.03921	0.3
55.01846	0.2
57.03436	1.8
61.02911	0.4
69.03415	1.2
69.68993	0.6
69.69421	0.9
70.06581	0.3
71.04986	11.3
73.02902	0.4
74.76992	0.2
75.04462	0.6
81.03395	0.6
81.52001	0.2
83.04949	0.4
85.02896	15.0
87.04456	0.5
89.59363	0.2
91.03956	0.2
91.90046	0.2
92.02608	0.5
93.03397	0.4
97.02882	1.2
99.04413	0.3
100.11242	0.3
104.87640	0.2
109.02879	0.3
111.04429	0.4
121.02822	0.5
123.04467	0.3
127.03892	0.9
129.05472	3.5
137.05934	0.3
139.03891	0.7
145.04933	0.9
147.06503	0.9
151.03853	0.5
153.01817	4.9
154.02292	0.3
165.01825	0.5
174.56848	0.2
177.05510	0.3
182.15332	0.4
201.05424	0.3
203.03381	0.3
210.14958	0.3
218.05826	0.4
228.04144	0.6
229.04915	2.1
231.02879	0.3
234.61993	0.2
245.04356	0.8
246.05133	1.2
257.04413	1.7
260.03232	0.3
261.07425	0.2
273.03912	0.8
274.04727	3.2
284.03220	0.3
285.03909	3.5
287.02045	0.3
302.04193	9.1
317.06528	100.0
318.06870	2.6
449.90192	0.2
479.11847	0.3
521.30475	0.2
591.34045	0.2
600.49615	0.2
625.22754	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.4
53.03934	0.6
53.51929	0.2
55.01870	0.6
55.05510	1.5
57.03422	1.0
57.07068	1.0
60.33606	0.2
61.02898	0.3
67.05504	2.5
69.03432	2.9
69.07063	3.9
70.06575	0.3
71.04977	0.4
71.08602	0.4
71.60972	0.3
73.02883	0.3
79.01842	2.2
79.05494	1.8
81.03413	4.7
81.07055	8.4
82.07426	0.3
83.04975	0.4
83.08614	2.4
85.02901	4.6
85.06541	1.8
91.05477	1.7
93.07024	2.0
95.04945	0.8
95.08603	8.1
96.50716	0.2
97.02890	3.6
97.06516	0.6
97.10164	1.4
99.04449	0.6
99.08078	1.0
105.07025	1.3
105.36359	0.3
107.01321	1.1
107.04958	0.5
107.08590	2.0
109.02208	0.4
109.02877	4.7
109.06532	0.5
109.10151	4.6
111.04475	0.4
111.08067	1.0
111.11721	1.0
113.09617	0.4
115.03980	0.3
117.07040	0.3
119.08573	1.0
121.06527	0.3
121.10107	1.5
123.04437	1.4
123.08084	0.3
123.11714	2.4
125.02362	2.9
125.09663	0.3
125.13277	0.5
127.03912	6.5
127.11179	0.5
131.08524	0.9
132.17894	0.3
133.10109	1.0
135.04359	0.3
135.11690	1.0
137.05957	0.4
137.13243	1.4
139.03912	0.5
141.06958	0.3
142.07706	0.3
143.03391	4.9
143.08525	0.4
145.04948	0.8
145.10103	0.8
147.04384	0.7
147.08057	0.3
147.11682	0.4
149.09576	0.5
149.13271	1.5
151.03906	0.6
151.07520	0.3
151.14813	0.7
153.01819	100.0
154.02129	0.8
157.10162	0.4
159.11697	0.4
161.13245	0.5
163.03906	0.5
163.14787	0.6
165.05466	0.5
165.09081	0.5
165.12701	0.4
165.16322	0.7
167.07048	0.8
171.01393	0.6
171.02872	12.3
173.13167	0.7
177.05489	0.7
177.16280	0.3
181.04941	0.8
183.02934	0.3
183.11769	0.3
189.12646	0.3
191.07008	0.3
197.19083	0.3
209.08034	0.7
213.03957	0.5
275.27301	0.7
279.04944	0.6
281.28409	0.7
285.06003	0.8
289.07037	0.3
293.28384	1.4
297.05994	3.8
303.26755	0.3
311.16318	0.3
311.29459	2.5
315.07074	16.7
383.29395	0.7
389.30420	0.3
401.30328	1.5
416.14911	0.5
419.31613	0.5
445.28909	0.4
553.31598	0.4
589.33362	0.4
625.34589	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37697	1.0
51.46949	1.0
53.03950	7.5
55.01875	6.0
55.05513	19.9
57.03436	9.5
57.07066	2.2
61.02914	1.9
65.03944	2.3
67.05502	49.3
69.03428	13.3
69.07067	18.4
71.01334	1.0
71.04989	7.0
71.34327	1.0
73.02911	1.1
79.05492	33.7
81.03416	81.2
81.07054	59.2
81.97363	0.8
83.01347	1.2
83.04981	16.9
83.08613	19.5
85.02898	15.5
85.06548	3.4
85.62720	0.9
91.05482	29.2
93.07042	41.8
95.04967	22.1
95.08602	16.8
97.02883	14.4
97.06541	9.4
97.10163	6.5
99.04462	3.8
99.08076	2.1
101.02439	0.9
103.05486	1.3
105.07028	20.4
105.07687	1.7
107.04951	7.4
107.08593	22.1
109.02882	15.5
109.06545	4.6
109.10141	5.9
111.04445	11.6
111.08083	9.6
113.06004	1.6
115.05479	1.6
117.07023	7.7
119.04960	1.0
119.08576	14.3
121.05758	1.0
121.06453	4.8
121.10153	14.1
123.04411	1.6
123.07281	1.0
123.08113	2.8
123.11712	3.4
125.06011	1.4
125.09662	3.5
127.03911	9.1
128.06271	1.1
129.05495	2.2
129.06995	6.7
131.04961	1.6
131.08556	12.1
133.06502	3.3
133.10121	9.1
135.08073	2.9
135.11707	7.0
137.05951	1.4
137.09647	1.4
142.07773	1.7
143.08580	3.0
145.06506	2.0
145.10139	4.4
147.08017	2.3
147.11676	10.5
149.09650	5.2
149.13246	12.9
153.12778	2.2
155.08609	2.2
157.10101	9.7
157.11081	0.9
159.08052	1.4
159.11668	7.4
163.11211	5.7
165.09117	1.0
165.12794	3.8
169.10182	1.4
173.04509	1.1
173.09694	1.4
175.11171	8.1
177.12767	3.6
181.10045	1.1
181.12241	3.2
183.06561	2.0
191.10733	3.2
193.10538	0.6
193.12238	22.1
195.13826	9.4
211.13272	43.1
213.14850	2.6
227.12732	5.5
229.14223	1.4
229.73018	1.0
233.15395	1.4
235.13358	1.3
249.14781	1.8
267.15924	9.5
269.17438	9.2
273.14948	1.9
283.15570	1.5
285.17010	4.0
301.14285	2.2
303.15872	1.7
321.16943	1.5
337.16632	3.3
339.18155	4.0
355.17645	10.4
369.24146	2.1
395.20654	5.1
411.20087	5.7
435.27103	1.5
443.27664	4.8
461.28976	17.8
479.30060	15.8
495.29233	1.1
503.29703	1.6
545.31488	1.9
569.31500	1.6
587.32233	2.9
605.33234	8.1
623.34204	100.0
624.34186	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	623.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.7
55.01865	6.0
55.05506	23.7
57.03434	12.5
57.07053	2.1
61.02917	2.6
65.03937	1.8
67.05499	52.2
69.03419	16.7
69.07061	14.5
69.46446	10.8
69.46881	3.0
71.01318	2.3
71.04985	9.2
79.05483	38.5
79.29952	1.6
81.03410	91.7
81.07051	62.0
83.04975	21.1
83.08147	1.4
83.08617	21.9
85.02901	23.1
85.06516	4.9
87.55792	1.3
91.05475	41.7
93.07038	39.8
95.04963	27.0
95.08595	20.6
97.02866	13.6
97.06534	8.0
97.10191	6.7
99.04447	4.7
99.08095	2.8
105.07020	27.1
107.04945	11.5
107.08589	22.0
109.02882	12.7
109.06493	7.7
109.10164	4.6
111.04436	14.2
111.08060	9.5
113.05978	3.2
115.05447	2.2
117.07011	11.8
119.04950	2.1
119.08566	18.7
121.06516	7.0
121.10129	15.1
123.04414	4.8
123.08064	4.0
123.11710	6.2
125.09602	4.0
127.03924	9.1
129.05431	1.6
129.06970	10.3
131.04918	2.4
131.08553	18.3
133.06487	6.9
133.10100	12.8
135.08069	2.5
135.11679	7.5
142.07785	1.7
143.08559	3.2
143.83711	1.5
143.97786	1.3
145.06477	4.2
145.10092	4.3
147.04401	1.8
147.08055	4.3
147.11662	16.2
149.09605	4.4
149.13231	9.9
151.11194	1.6
151.78651	1.4
153.12769	2.8
157.06500	3.1
157.10107	8.9
159.07988	2.7
159.11719	8.9
163.11226	5.6
165.12730	5.5
169.10095	2.6
171.11717	2.0
173.09602	2.1
173.13245	2.2
175.11188	7.1
177.12761	5.8
181.12257	2.4
183.11703	2.1
185.13248	1.6
191.10681	2.2
193.12233	27.9
193.13857	2.2
195.13739	11.9
211.13275	45.8
211.15248	2.5
213.14877	2.4
227.12852	5.1
229.14265	2.2
229.49252	1.7
239.14259	1.8
249.14964	1.7
251.16338	1.5
254.82468	1.6
266.17792	1.5
267.15958	12.5
269.17398	12.8
272.81818	1.7
273.14981	3.5
273.24188	1.7
285.17184	8.2
287.16489	1.8
301.14465	4.7
303.15985	3.3
309.16980	1.9
321.17041	4.1
337.16580	1.9
339.18130	7.1
355.17285	1.8
369.24072	3.1
377.19516	1.7
393.19113	2.0
395.20807	7.7
411.20148	4.5
413.21640	3.2
443.28207	5.2
461.28949	22.7
479.30063	15.1
485.28720	1.9
495.29428	2.4
503.29825	2.8
504.43823	1.5
545.31390	4.4
557.30646	2.8
569.30994	4.7
570.68970	1.6
587.32025	5.5
605.33301	12.3
623.34198	100.0
624.34686	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.5
55.01872	6.6
55.05263	2.2
55.05508	30.0
57.03435	11.8
57.07078	1.7
61.02912	2.3
65.03946	3.6
67.05502	55.3
69.03424	19.3
69.07059	13.9
69.52891	10.9
71.01357	1.3
71.04987	9.0
73.02918	2.2
78.29494	1.2
79.05488	41.5
81.03413	100.0
81.07051	63.6
83.04978	23.2
83.08617	21.6
85.02418	1.9
85.02897	22.9
85.06532	3.7
91.03965	1.8
91.05477	40.8
93.07038	46.4
95.04963	28.9
95.08598	20.5
97.02897	15.8
97.06539	9.8
97.10164	7.9
98.21407	2.2
99.04436	7.2
99.08071	2.7
103.03954	1.6
105.04530	1.5
105.07021	31.4
107.04976	10.3
107.08588	25.1
109.02876	15.3
109.06518	9.0
109.10133	7.2
111.04430	12.5
111.08060	8.0
113.05984	3.2
115.05446	2.9
117.06987	12.1
119.04891	2.1
119.08575	21.7
119.09402	0.7
121.06525	5.5
121.10117	15.1
123.04421	4.6
123.08066	4.5
123.11715	5.2
125.05933	1.1
125.09624	4.7
126.16743	1.1
127.03906	10.1
127.07567	1.4
128.06166	1.9
129.05481	2.9
129.06990	12.2
131.04916	2.0
131.08562	22.0
133.06491	5.3
133.10130	13.5
135.04355	1.3
135.08076	3.7
135.11678	9.6
137.05974	2.8
137.09656	2.3
141.06970	2.0
142.07739	2.5
143.08559	4.2
145.06505	5.4
145.10069	6.1
147.08044	4.1
147.11687	17.0
148.12018	1.3
149.05980	2.2
149.09616	5.4
149.13260	12.8
153.12752	3.2
155.08556	3.9
157.06470	1.3
157.10110	11.9
159.08057	3.2
159.11688	8.1
161.05983	1.3
163.11206	4.5
165.12776	4.2
169.10149	2.4
171.07980	1.8
171.11703	1.2
173.04459	4.1
173.05872	1.6
173.09605	2.8
173.13242	2.5
175.11147	8.4
177.12724	5.7
181.12131	2.6
183.06561	2.1
183.11707	2.0
185.09630	1.4
185.13295	2.3
187.11270	1.6
189.11151	1.6
191.10774	1.4
193.12233	28.8
195.13760	8.4
199.14767	1.5
201.09180	1.2
201.12718	2.4
211.13268	46.3
213.14816	3.2
219.13707	1.8
227.12648	5.7
229.14253	1.6
231.14034	1.6
233.15358	1.6
235.13188	1.6
249.14870	2.8
257.15314	1.8
267.15918	17.6
269.17435	11.2
273.14902	2.6
277.14316	1.5
279.18658	1.4
283.15546	1.8
285.10040	1.7
285.14417	1.2
285.17188	8.6
301.14386	2.8
303.16003	3.8
321.16953	3.2
337.16656	1.5
339.18002	8.1
351.23215	2.5
355.17538	3.6
355.22180	1.3
369.24304	3.2
377.19659	2.9
387.25116	2.3
393.19159	1.4
395.20590	8.4
411.20123	4.9
411.25003	1.3
413.22006	2.4
434.86798	1.2
435.27075	1.9
443.27844	8.6
448.41180	1.1
461.28970	33.5
462.29886	1.5
477.28250	1.5
479.30209	17.1
480.30707	1.5
503.30170	3.3
545.30981	3.3
557.30908	1.4
569.31122	5.0
575.32440	1.6
587.32153	4.8
605.33185	14.0
623.34131	96.5
624.34424	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	623.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.8
55.55919	0.5
67.05482	1.5
69.07066	0.8
70.18947	1.1
70.19359	1.4
79.05501	1.1
81.06195	0.5
81.07056	1.8
91.05478	1.4
93.06998	0.9
95.08642	1.3
105.07016	0.6
107.08595	0.5
119.08603	0.6
131.08632	0.6
133.06465	0.5
214.11954	0.5
222.11588	0.6
235.12328	0.7
271.20154	0.5
289.18030	1.1
389.17816	0.6
391.19131	0.8
400.16794	0.5
402.18933	0.7
404.20593	0.6
414.18561	1.3
415.19293	1.8
416.20044	1.0
417.20734	1.4
418.22299	0.6
419.18051	1.1
419.22833	1.0
427.19342	0.9
428.20044	1.5
429.20895	8.1
430.21631	2.1
431.18445	1.5
432.19403	0.9
433.23944	2.1
434.20602	0.7
435.21463	0.6
442.21951	0.8
443.22516	5.9
444.23575	3.2
445.19547	0.9
445.24551	1.0
447.21774	1.9
448.22928	0.8
449.22980	1.4
456.19516	0.7
457.19296	0.9
457.24084	2.2
458.25269	2.7
459.21417	4.9
460.22675	3.3
461.19098	1.6
461.23474	2.5
462.20572	2.0
463.21344	0.7
470.20944	0.9
471.21951	1.6
472.22647	3.7
473.23422	3.2
474.20563	0.7
475.21112	1.8
476.21848	1.8
477.22528	3.0
485.23331	4.6
486.24149	1.3
487.25336	3.6
488.21939	0.9
489.22562	1.7
503.24536	2.2
517.26501	2.6
519.24023	1.1
520.24921	0.9
521.22198	0.6
531.23816	4.6
535.25330	0.9
536.74835	0.5
545.25439	46.6
546.25928	2.0
548.24731	0.6
563.26227	12.8
564.27319	0.6
569.97009	0.5
577.28589	0.6
586.82080	0.5
598.51941	0.6
605.27667	4.2
623.28534	100.0
624.29053	2.2
649.05804	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88207	0.5
57.20994	0.5
65.91213	0.5
67.05489	1.2
69.59997	4.2
81.07022	0.7
94.91080	0.5
95.08601	0.7
106.72923	0.5
181.26654	0.5
184.52008	0.5
185.50124	0.5
220.48657	0.6
221.41316	0.5
223.12352	0.5
279.28543	0.6
335.52353	0.6
341.46182	0.5
388.16895	0.8
389.17673	1.0
391.19312	1.2
401.17374	0.9
402.18698	1.0
403.19324	1.5
404.19977	1.4
405.20975	1.5
406.21283	0.7
407.22253	0.8
415.19290	1.3
416.20447	0.8
417.16159	1.0
417.20944	2.3
418.22113	0.7
419.22842	2.6
420.23041	1.4
429.16364	0.6
429.21271	0.9
430.17621	1.6
431.18723	2.6
431.23380	1.0
432.19037	0.8
433.20123	5.3
434.20963	0.8
435.21521	0.6
443.18784	2.1
444.19327	2.0
444.24609	0.7
445.19891	6.6
446.21011	3.3
447.21735	4.5
448.22638	1.1
449.23444	0.9
457.20273	0.6
458.20865	6.0
459.21753	4.8
460.22760	3.9
461.19458	0.8
463.21478	1.4
471.21805	0.6
472.22482	0.8
473.23575	2.7
475.21075	1.2
476.22052	1.6
477.22952	2.7
485.23337	0.7
489.23044	0.7
504.24857	0.9
505.22128	0.6
507.27576	0.7
517.22260	1.1
518.23212	4.7
519.23883	0.9
521.21924	1.7
531.23907	1.5
532.24719	2.2
533.25531	8.2
535.26990	1.0
545.25427	3.2
546.26849	1.2
562.26642	0.6
563.26398	11.6
573.24780	1.0
577.27966	1.7
605.27570	10.1
623.28601	100.0
624.29156	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	623.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94904	0.4
60.91680	0.3
69.50016	0.9
69.50438	2.0
86.54317	0.3
98.20791	0.7
117.53328	0.3
119.08598	0.3
182.05644	0.3
197.53209	0.3
261.13828	0.4
364.17645	0.4
375.16516	0.6
389.18179	0.5
390.18665	0.8
391.19293	1.3
392.19690	0.4
401.17505	0.4
402.18893	0.4
404.20605	0.4
405.20944	3.1
409.80679	0.3
415.19229	0.8
416.19986	0.5
417.20709	0.7
418.17569	0.6
419.17920	1.5
420.18631	0.4
420.23169	1.1
421.24448	0.5
429.21051	1.8
430.21896	0.8
431.22977	0.5
432.15182	0.4
433.19675	3.2
434.21036	0.4
435.21878	0.9
443.22333	1.4
444.23761	1.6
445.19547	0.4
445.24414	0.7
446.17267	0.7
447.17938	8.7
448.23059	2.3
449.23520	2.8
450.24231	0.4
452.22266	0.8
457.24591	0.4
458.24670	1.3
459.21344	3.0
460.22556	1.4
461.19202	6.5
462.20526	1.1
463.21338	1.3
471.21729	0.8
472.22784	1.6
473.23322	1.4
475.20996	1.5
476.22049	23.1
477.22900	4.1
479.20642	1.9
485.23236	2.5
487.25284	2.5
489.19284	1.1
490.23978	0.4
503.24384	1.7
508.24759	0.6
517.25977	1.0
519.24139	2.2
521.21771	0.6
531.23792	2.7
545.25500	15.2
546.26147	1.3
547.27209	1.3
563.26428	8.8
564.26849	0.4
591.25330	0.5
605.27448	2.7
623.28601	100.0
624.28839	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	623.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.6
55.05513	1.9
58.16037	0.5
62.91156	0.5
65.20771	0.5
67.05505	3.7
69.07072	2.7
69.96561	2.5
77.51163	0.5
79.05482	2.9
81.03414	3.1
81.07050	4.8
83.04971	0.8
83.08610	0.9
91.05467	3.9
93.07038	2.7
95.01363	0.6
95.04967	1.3
95.08585	3.4
97.06535	3.3
97.10182	0.8
105.07033	4.9
106.44352	0.5
107.04962	1.9
107.08592	1.7
109.10185	1.2
117.07009	1.9
119.08585	2.3
121.10191	0.8
123.11671	0.6
126.59716	0.6
128.40863	0.6
129.07053	0.8
131.08591	1.7
133.10129	1.7
135.11714	0.7
145.10109	2.5
147.11713	1.5
149.09645	1.1
159.11720	1.6
161.13275	1.2
163.11214	1.0
179.14450	0.6
257.19086	0.9
275.20068	6.2
389.17624	1.3
402.18362	0.7
403.19461	1.1
404.20172	0.9
405.20706	0.8
415.19183	2.1
416.20151	1.0
417.16980	1.9
417.21457	1.3
419.22357	4.1
429.17285	1.2
430.17307	0.9
431.18564	2.6
431.22998	1.6
432.19382	2.1
433.20346	1.9
443.18393	3.3
444.19440	1.4
445.20233	8.4
446.20944	4.7
447.22366	4.0
449.23425	1.1
450.23996	0.9
457.20132	1.3
458.20795	0.9
459.21857	2.7
460.22549	0.9
461.19565	1.2
462.20465	1.1
463.21436	1.3
473.23727	1.0
475.21301	1.9
476.22043	4.9
477.22983	5.5
478.23489	0.7
489.22864	2.0
503.24533	1.2
505.26416	0.8
521.22290	1.6
533.25525	16.2
534.25275	0.7
545.25708	1.0
563.26526	18.3
592.27179	0.7
593.27502	4.8
605.27576	1.2
623.28650	100.0
623.43140	3.6
623.43268	3.9
624.29095	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	623.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
64.79733	1.0
70.85796	3.6
74.44650	1.0
101.01858	1.1
121.07779	1.1
155.04042	1.2
283.44275	1.2
391.19272	2.9
392.19812	2.7
400.17419	1.5
401.17703	2.2
405.20898	4.9
406.21594	4.4
407.22339	9.8
414.18839	2.1
415.19193	4.8
420.22928	2.1
421.23846	8.2
422.59933	1.2
427.19391	2.2
428.20114	3.7
429.20798	9.7
430.21490	1.6
433.24454	2.2
443.22348	5.2
444.23309	3.9
445.20203	3.2
447.18002	1.7
456.20142	1.7
458.24701	4.1
459.21921	5.3
460.22397	2.6
461.19879	4.2
462.20844	2.2
471.21912	1.3
472.22580	6.1
475.21503	5.4
476.22076	4.5
477.22903	3.7
485.23685	10.0
489.22916	3.4
499.21286	2.4
500.21960	2.2
503.24612	5.9
513.23090	2.1
514.23407	2.1
517.25964	5.3
519.24310	1.7
535.27136	2.4
545.25458	67.6
546.26129	1.9
564.27100	1.9
573.24762	14.4
605.27582	73.4
606.28326	3.3
623.28619	100.0
624.29022	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.4
57.03434	0.3
63.72494	0.3
67.05502	0.9
69.15851	0.4
70.51031	1.2
74.24770	0.3
79.05479	0.5
81.03402	0.6
81.07051	0.9
83.08611	0.5
91.05475	0.3
91.50434	0.3
93.07063	0.6
95.08582	0.6
98.21522	0.3
98.62412	0.3
105.07024	0.8
107.08579	0.5
109.02973	0.3
109.10168	0.3
110.13281	0.3
113.19652	0.3
119.08586	0.5
131.08568	0.6
131.38226	0.3
145.10132	0.3
169.04909	0.7
193.05090	0.3
194.63138	0.3
200.39694	0.3
250.73364	0.3
279.29083	0.3
299.70764	0.3
304.07834	0.3
323.89508	0.3
361.43954	0.3
383.00085	0.3
384.85736	0.3
423.03116	0.3
509.71466	0.3
621.41791	100.0
622.42279	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	621.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.0
55.01871	6.5
55.05508	16.7
57.03433	9.4
59.04994	0.9
62.14223	0.6
65.03931	2.6
67.05501	29.7
69.03075	1.0
69.03418	11.2
69.07066	8.1
70.06579	0.7
70.86648	1.7
71.01322	1.2
71.04996	6.3
73.02909	0.9
79.05489	27.9
81.03415	100.0
81.07053	30.6
83.04490	0.7
83.04978	14.3
83.08612	20.0
83.62202	0.7
85.02903	19.2
85.06554	1.9
91.05474	36.1
93.07037	21.5
93.07635	1.3
95.01374	0.6
95.04965	36.1
95.08600	11.6
97.02882	14.6
97.06534	4.9
97.10154	8.4
99.04440	3.5
103.05478	2.5
105.07024	27.1
107.04950	14.4
107.05619	1.2
107.08591	11.3
109.02873	22.1
109.06515	6.5
109.10152	4.6
111.04445	8.1
111.08073	8.9
113.06024	1.7
113.47025	0.6
115.05460	3.2
117.07013	6.9
119.04944	3.4
119.08575	20.6
121.02877	1.4
121.06502	7.0
121.10135	9.4
123.04430	5.7
123.08089	4.2
123.11658	3.4
125.02350	4.3
125.05997	1.6
125.09618	6.5
127.03922	7.4
127.91898	0.6
128.06238	2.5
129.05522	1.3
129.07004	15.0
129.07910	1.2
131.04907	4.0
131.08553	14.0
133.06496	6.5
133.10124	10.3
133.11073	0.8
135.04460	1.4
135.08052	3.9
135.11714	3.5
137.05998	2.2
137.09616	1.4
139.03905	1.5
141.06996	2.4
142.07797	3.7
143.08554	3.9
145.06461	5.7
145.10104	5.8
147.04381	3.6
147.08066	5.2
147.11681	14.9
149.05948	3.6
149.09608	6.7
149.13379	0.8
151.03931	0.8
151.07536	1.1
153.01791	3.5
153.06946	0.8
153.09090	1.2
153.12767	2.4
154.02252	0.7
154.07854	0.8
155.08611	2.1
157.06506	2.0
157.10123	11.8
159.08092	2.2
159.11717	1.7
161.05923	3.2
161.09628	2.6
161.13220	0.8
163.07407	0.7
163.11191	7.7
165.12770	3.8
166.98000	0.7
167.08572	0.9
168.09329	0.8
169.10124	1.4
171.04445	1.1
171.08055	2.1
171.11713	3.2
173.04477	6.2
173.06012	3.2
173.09644	2.5
175.07559	1.2
175.11179	14.4
177.05446	1.6
177.12767	1.2
181.10117	1.2
181.12231	3.0
183.06502	1.1
183.07994	0.8
183.11708	1.4
185.06027	0.7
185.09698	1.4
185.13260	1.5
187.07558	1.4
187.11150	1.6
189.05373	3.1
189.09137	0.9
189.11240	2.7
189.12759	1.4
191.10620	3.4
193.12224	34.3
195.08049	1.0
195.11810	0.8
196.49130	0.7
199.11244	1.7
201.09070	0.7
201.12775	1.0
203.10687	0.8
205.12296	1.4
207.13763	0.8
211.13272	41.5
213.12804	1.6
215.06941	0.9
215.10616	0.7
215.14400	1.0
219.13908	0.8
223.13266	1.6
227.12604	4.8
229.12276	0.9
229.14351	1.2
231.13843	1.7
235.13312	3.4
237.12868	1.2
241.12279	0.8
243.13716	1.0
245.15656	1.0
247.13377	1.6
249.14867	3.5
255.13788	3.1
257.15387	1.3
259.13345	2.7
261.14758	0.9
265.14444	0.7
267.15915	13.1
267.18591	1.0
273.14828	11.2
277.14444	2.0
283.13321	2.8
285.17032	9.7
289.14343	2.1
291.15640	1.2
301.14294	15.6
303.16037	1.8
309.17151	1.1
313.16772	0.9
319.15384	8.2
323.16379	0.8
333.16888	0.9
337.16406	5.1
341.17520	0.8
347.18503	1.3
349.21759	1.1
351.18018	1.1
355.17645	2.4
357.17157	0.7
357.24164	0.9
367.22726	2.0
369.19458	0.8
375.17929	5.8
385.23386	3.2
393.19122	6.7
403.24930	1.2
407.42465	0.6
411.19986	3.0
441.26514	1.4
449.28848	0.7
451.24817	1.0
459.27371	9.0
477.28464	7.0
483.27426	0.9
493.26001	1.3
495.29391	6.3
501.28665	1.9
511.26819	0.8
529.28357	1.9
539.29736	1.1
543.29486	1.4
555.29486	1.1
557.31757	1.6
567.29767	3.4
573.30505	4.3
585.30646	12.5
603.31653	16.9
621.32666	84.8
622.32568	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
54.87086	0.9
55.01870	6.4
55.05267	1.2
55.05507	17.5
57.03434	7.6
57.07065	1.0
61.02921	1.3
65.03918	2.5
67.05498	29.0
69.03072	1.3
69.03416	15.0
69.07055	9.7
70.17533	0.8
70.22137	3.5
71.01345	1.8
71.04984	5.5
73.02917	1.3
79.01857	1.4
79.05485	31.6
81.03409	100.0
81.07045	34.5
81.07519	2.1
83.04970	15.7
83.08607	22.0
85.02892	22.1
85.06514	3.1
91.05470	37.1
93.03416	1.7
93.07032	25.5
95.04954	36.1
95.08596	14.1
97.02889	14.2
97.06515	5.4
97.10158	7.0
99.04433	5.1
103.05445	3.4
105.07021	29.9
105.07544	0.7
107.04951	13.8
107.08581	14.1
109.02126	1.5
109.02872	21.9
109.06520	7.3
109.10149	6.8
111.04427	11.2
111.08052	8.8
113.06028	2.1
115.05466	2.9
117.07019	8.0
119.04919	3.3
119.08566	20.7
119.09344	1.5
121.02861	1.6
121.06521	6.8
121.10137	10.6
123.04414	10.8
123.08061	4.8
123.11684	2.8
124.30045	0.9
125.02335	3.9
125.05990	1.9
125.09620	4.9
127.03896	8.5
128.06216	2.1
129.05493	1.8
129.06998	16.9
131.04930	4.6
131.08557	13.4
133.06487	5.5
133.10112	11.9
135.04404	2.5
135.08060	4.1
135.11678	4.4
137.05975	4.0
137.09605	3.0
139.03860	2.8
141.06938	2.3
142.07750	3.4
143.03415	3.4
143.08556	4.3
145.06491	3.8
145.10109	7.5
147.04402	4.3
147.08012	6.9
147.11681	19.2
149.05977	3.5
149.09586	6.5
149.13232	1.4
151.03909	2.8
151.07556	1.6
151.11107	1.4
153.01814	33.0
153.12743	1.4
154.02151	7.9
155.02298	5.8
155.08563	2.7
157.06491	3.6
157.10123	13.1
159.08086	2.8
159.11687	3.5
161.05951	3.7
161.09624	2.6
161.13321	0.9
163.03915	2.3
163.07545	2.0
163.11159	7.4
165.05495	0.9
165.12729	5.6
167.08469	1.0
171.04364	1.6
171.08044	2.3
171.11658	2.3
173.04468	4.4
173.05894	2.0
173.09612	1.8
173.13225	2.0
175.07541	1.5
175.11186	11.2
177.05597	1.0
181.10219	1.2
181.12201	2.6
183.06471	0.9
183.11827	1.3
185.09592	1.0
185.13252	1.2
189.05475	3.1
189.11227	2.2
191.10680	3.4
193.12221	30.5
197.09584	1.4
205.12340	2.2
209.11824	1.5
211.13248	40.0
213.12904	1.5
217.12219	1.2
223.13258	1.4
227.12553	5.3
235.13329	3.1
237.12700	1.2
247.13222	1.2
249.14908	4.0
255.13817	2.6
259.13211	2.2
267.15891	13.5
273.14899	8.9
277.14398	1.1
283.15607	2.0
285.16953	10.9
289.14423	2.3
291.15866	1.9
301.14212	13.6
301.17087	1.2
302.10522	1.0
303.16144	2.4
313.16541	1.6
319.15472	7.1
321.16751	1.0
337.16415	3.9
355.17532	3.6
367.22699	1.1
375.18051	6.8
385.23682	4.4
393.18921	6.0
403.24634	2.8
411.20102	2.0
459.27222	8.1
477.28354	7.8
493.26410	1.3
495.29449	4.5
501.28311	2.2
529.27704	2.0
543.29443	2.6
557.30988	2.2
567.29248	3.1
573.30566	2.8
585.30573	11.1
603.31390	14.2
621.32648	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91257	0.2
57.07013	0.2
66.97556	0.2
71.51491	0.3
85.66328	0.2
173.82747	0.2
209.10585	0.2
217.95009	0.2
314.12491	0.2
360.14523	0.2
371.22711	0.2
374.15384	0.3
375.15939	0.4
376.17725	0.2
387.16122	0.6
388.16898	0.8
389.17560	2.6
390.18665	0.9
391.19238	0.3
401.17758	0.9
402.13974	0.4
402.19012	1.0
403.19427	4.0
404.19965	1.9
405.20724	1.4
415.19321	0.7
416.16125	1.0
416.20151	0.8
417.16937	2.5
417.20905	2.2
418.16864	0.4
418.22333	0.9
419.22391	5.9
420.22791	0.6
429.16486	0.4
429.21555	0.3
430.12924	0.2
430.17242	1.1
430.22766	0.3
431.18066	5.3
431.23499	0.5
432.19196	2.2
433.20038	1.2
442.17700	0.2
443.18683	0.6
444.19455	0.6
445.20187	5.5
446.20947	4.1
447.21796	8.9
448.22141	0.6
457.20486	0.5
458.21652	0.3
459.17593	1.3
459.22018	1.6
460.18625	0.8
460.23752	0.3
461.19556	0.7
462.20502	0.2
473.19534	1.0
473.24179	0.5
474.20392	9.3
475.21262	13.0
476.21802	0.9
486.20508	0.3
487.21426	3.2
488.22183	1.2
490.23480	0.4
491.20767	0.4
501.22864	2.3
502.23419	0.5
503.21271	0.3
504.15085	0.2
504.21994	0.3
505.26944	1.2
517.22192	0.3
518.22870	0.5
519.20288	0.3
520.25348	0.3
523.39850	0.5
529.22479	0.6
533.25537	10.5
534.25629	0.6
546.22791	0.6
561.24951	66.8
562.25360	3.6
589.24329	1.6
593.27448	3.1
621.27051	100.0
622.27271	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2704
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
69.51968	1.9
77.31602	0.2
87.13841	0.2
91.05457	0.3
108.08241	0.2
109.10172	0.3
113.21085	0.2
119.08575	0.4
133.10088	0.2
148.77878	0.3
195.09129	0.3
197.65086	0.2
209.10768	0.3
223.12227	0.3
232.46672	0.3
266.33093	0.2
291.74881	0.2
340.14481	0.2
373.14542	0.3
375.16144	0.6
387.16293	0.8
388.16794	0.8
389.17664	2.7
390.18430	1.1
391.19208	0.9
394.84543	0.3
398.51181	0.3
401.17810	0.7
402.18436	1.0
403.15381	0.3
403.19351	4.4
404.20050	2.2
405.20667	2.2
415.19217	0.8
416.16129	0.9
416.20453	0.7
417.17041	3.5
417.21030	2.7
418.16907	1.3
418.22461	0.4
419.22397	6.7
420.22818	1.0
429.16959	0.4
430.17068	1.2
431.18112	6.6
431.23602	0.6
432.18719	2.4
433.20056	2.9
443.18887	0.5
444.19360	0.5
445.20093	5.7
446.20850	5.2
446.26401	0.3
447.21741	8.3
447.27734	0.5
448.22134	1.0
457.20377	0.5
459.22876	2.8
460.18179	0.6
460.23456	0.4
461.19788	1.1
462.21213	0.3
463.20981	0.3
465.22232	0.3
473.19464	1.0
473.24118	0.7
474.20380	5.2
475.21228	6.4
476.21671	0.5
477.22940	0.4
478.23651	0.5
487.21350	3.1
488.22104	0.8
489.23260	0.3
491.19833	1.2
492.25269	0.4
492.32477	0.3
501.22635	1.2
505.25513	1.2
506.22971	0.4
518.23267	0.5
519.20709	0.8
529.22180	0.6
533.25452	15.0
534.25702	1.1
546.22644	0.4
561.24908	20.1
562.25037	1.5
565.28442	0.3
589.24951	0.7
591.28290	0.2
593.27521	3.4
621.27014	100.0
622.27399	5.9
622.36127	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2701
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
70.17611	0.3
70.17968	1.0
85.48985	0.2
99.54395	0.3
129.19629	0.2
149.74991	0.3
207.09184	0.4
209.10741	0.4
223.12389	0.3
246.88008	0.3
298.13370	0.3
324.15125	0.2
373.14539	0.4
374.15115	0.5
375.16293	0.6
376.17392	0.3
384.14325	0.3
387.16150	0.6
388.16855	0.9
389.17523	3.2
390.18466	1.1
391.19211	0.8
401.17648	1.1
402.18497	1.0
403.19431	3.6
403.34048	0.3
404.20145	1.8
405.20895	2.3
406.21118	0.4
415.19281	1.1
416.16205	0.9
416.20685	0.5
417.16171	4.0
417.21100	2.2
418.17648	1.1
418.21686	1.1
419.22382	6.9
420.22964	0.9
427.19263	0.4
429.16815	0.6
430.17178	1.2
431.18118	8.0
431.23596	0.6
432.19016	2.9
433.20074	2.4
443.18845	0.7
444.19687	0.9
445.20102	6.0
446.20953	5.9
447.21750	10.0
448.22040	0.8
459.17209	0.9
459.21985	1.8
460.18646	0.8
460.23602	0.5
461.19617	1.5
462.20279	0.4
463.21234	0.4
473.19485	1.1
473.24200	0.7
474.20303	5.4
475.21295	7.8
476.21646	0.5
478.23718	0.5
487.21185	2.7
488.21912	1.1
491.20102	1.4
492.24844	0.4
501.22873	1.9
503.20853	0.5
505.25803	1.5
517.22571	0.3
518.23126	0.5
519.20160	0.7
523.38776	0.3
529.22559	0.4
531.22217	0.3
533.25525	15.9
534.25696	0.8
546.22888	0.4
561.24921	21.8
562.25470	1.5
565.28040	0.5
589.24554	0.8
593.27728	3.7
621.27026	100.0
622.27356	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	621.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	0.4
51.56465	0.2
53.00329	0.5
53.03946	1.6
55.01841	1.0
57.03408	0.8
63.02360	0.6
65.03899	0.9
65.66292	0.3
65.87087	0.2
67.01831	0.7
69.03428	8.9
69.89156	1.0
71.01334	0.6
71.04967	0.6
76.03809	0.2
76.69765	0.2
77.03886	0.2
78.66668	0.2
79.01847	1.2
81.03416	12.0
83.01296	1.1
85.02902	3.0
86.18832	0.2
88.85392	0.2
89.43961	0.3
91.01788	0.3
91.25328	0.2
92.02631	0.3
92.99743	0.7
93.03371	0.5
95.01315	1.7
97.02377	0.2
97.02892	3.2
98.20753	0.3
98.21307	0.6
99.00784	0.4
99.04423	1.4
101.02333	0.7
107.01273	0.6
108.02065	1.1
108.32544	0.2
109.02879	8.9
111.00783	0.6
111.04410	0.6
113.02324	0.8
119.01313	2.2
121.02866	2.1
123.00803	2.1
123.04377	1.0
125.02316	0.7
127.03917	6.6
131.04868	0.2
135.00719	0.5
135.04353	0.6
135.73593	0.3
136.01544	0.4
137.02324	2.3
139.00227	0.6
139.03899	1.3
141.01787	1.3
147.00757	1.4
147.04405	0.4
148.01529	1.0
149.02347	2.6
151.00266	1.6
151.03949	0.6
153.01813	2.2
153.05458	0.3
154.02106	0.7
154.99744	0.4
155.03375	0.4
161.02304	0.3
163.00214	0.4
163.03914	0.6
165.01839	12.0
166.99785	0.4
167.03427	3.9
168.06535	0.3
169.01262	1.0
169.04964	0.4
170.36656	0.3
175.00273	0.6
176.01039	0.7
177.01831	1.6
178.99722	0.3
179.03427	0.4
181.01364	1.2
182.99271	1.0
183.02884	0.6
185.00775	0.5
187.03908	0.4
191.03328	0.3
192.00548	1.9
193.01323	24.0
194.01649	0.5
194.99283	0.5
195.02843	2.0
197.00804	0.4
202.99738	5.0
203.03394	0.5
205.01308	2.6
209.00735	0.4
210.01611	0.9
211.02364	2.4
217.01234	0.3
219.02820	0.7
221.00801	100.0
222.01152	1.4
223.02180	0.3
231.02847	0.8
235.02287	0.4
235.86554	0.3
239.01823	5.2
243.02769	0.5
245.00848	0.3
245.04436	0.5
247.02307	1.5
250.71193	0.2
255.02774	0.4
257.00635	0.4
257.02838	1.5
259.02393	0.6
261.03915	0.3
263.01877	1.6
269.03058	0.5
271.02432	0.5
273.00317	0.4
273.04089	0.3
275.02036	1.2
277.03418	0.3
285.04056	0.3
287.01743	2.0
289.03470	0.5
289.06595	0.3
291.01294	0.5
297.04153	0.3
299.01923	0.3
301.03607	0.3
301.06827	0.3
303.01355	1.4
303.04489	0.3
308.38986	0.3
312.99796	0.3
315.01373	0.4
317.03079	0.3
323.01874	0.5
327.01306	1.0
329.02927	0.4
331.00787	0.5
333.11642	0.3
336.04678	0.3
337.05713	0.6
347.04138	1.0
365.05023	2.9
369.02322	0.5
371.00421	0.4
383.06143	0.7
387.03442	0.9
403.02789	0.4
413.01062	0.4
415.02817	0.5
431.02484	2.4
433.04086	0.5
449.03552	2.6
451.12338	0.3
459.01721	2.7
477.02914	3.1
575.06555	0.9
593.07678	3.6
603.06195	3.6
621.07220	21.5
622.07239	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01859	1.4
55.05497	4.3
56.05021	2.1
57.03426	1.8
57.07059	1.1
57.10110	1.0
60.04522	2.4
65.03931	1.4
67.05499	12.3
69.03413	3.6
69.07058	1.8
71.04987	3.6
79.05487	12.6
80.05011	3.6
81.03407	2.8
81.05800	2.4
81.07056	11.9
82.06570	4.6
83.08600	2.5
87.04447	2.7
89.06025	1.1
91.05485	5.8
93.07034	21.6
94.06563	18.1
95.04941	2.8
95.08601	20.0
95.09288	1.0
95.09447	0.8
95.65454	1.1
96.08115	3.6
97.02876	1.0
97.06510	4.0
97.10126	1.4
103.05525	1.0
104.10742	1.2
105.07018	10.6
105.08096	0.9
107.07322	2.9
110.09003	1.1
110.09673	10.1
111.08068	12.2
119.08601	1.3
120.08138	1.4
122.09654	31.9
123.08064	28.0
128.10707	34.5
140.10690	100.0
140.73557	1.0
141.09100	10.9
158.11761	9.7
172.96648	1.1
177.11217	1.0
188.92007	1.1
256.66043	1.0
282.27859	1.2
300.28925	7.1
404.35428	1.3
405.55832	1.0
410.36328	9.8
422.31049	1.5
422.36304	21.0
440.37344	73.1
441.37738	1.8
488.38495	1.0
533.25024	1.3
620.42126	1.2
621.26862	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	619.3989
Annotation	Zamanic acid
Peak:m/z	Relative Intensity
55.05495	2.4
57.07080	1.0
63.83883	0.8
65.03934	1.0
66.84692	0.7
67.05504	4.6
69.07050	2.8
69.53210	1.3
69.53559	6.5
69.85613	0.7
79.05481	2.4
79.93894	0.7
81.03362	0.8
81.07053	7.4
83.08614	2.9
89.62449	0.8
91.03986	0.8
91.05476	11.6
93.07040	6.3
95.08596	11.4
97.10155	1.4
105.07018	6.8
107.08590	10.3
107.94812	0.7
109.10146	9.4
111.11746	0.9
117.07010	0.7
119.04939	23.9
119.08568	12.3
121.10130	36.9
123.04408	0.9
123.08037	1.5
123.11712	4.5
131.08560	3.2
133.10115	13.7
135.11682	14.6
137.09563	1.2
137.13242	3.5
143.08562	1.5
143.29045	0.7
145.10120	5.5
147.04399	100.0
147.11655	7.0
149.13245	5.2
151.14938	0.8
153.01828	3.1
157.10052	1.7
159.11711	7.5
161.13237	9.0
163.11131	0.9
163.14792	4.7
165.04146	1.5
165.05481	20.1
165.06880	1.1
171.11671	2.2
173.13225	6.4
175.14796	7.6
177.16385	4.0
179.14288	13.1
183.11552	0.9
185.13304	1.3
187.14824	8.4
189.16336	6.5
191.17982	2.5
193.15877	5.1
197.13335	1.4
199.14882	1.2
201.16411	4.9
203.17946	7.9
205.15857	3.4
211.14923	0.9
213.16399	2.7
215.17932	5.9
217.19582	1.2
227.17924	2.1
229.19496	16.0
231.21080	4.1
241.19640	2.1
243.21111	2.8
249.18507	1.0
253.19493	1.2
255.21158	3.0
261.18451	1.4
267.21133	1.1
269.22690	1.8
275.20038	6.2
283.24109	1.1
299.20114	1.1
301.21750	1.0
309.25943	1.1
351.30579	1.7
391.33542	8.8
397.30978	2.6
409.34628	12.5
427.35831	1.2
429.00494	0.9
437.34097	8.5
455.35202	12.0
496.37766	2.0
601.38477	4.8
603.56555	0.9
619.37830	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.3
51.02372	0.5
53.03941	0.1
55.01876	0.1
65.98629	0.1
68.99772	0.1
69.03414	0.3
71.05696	0.1
71.06049	0.2
79.01849	4.4
81.03409	1.5
93.07048	0.1
97.02882	1.0
107.01306	0.9
107.04993	0.1
109.02867	0.7
121.62286	0.1
123.00793	0.3
125.02344	3.6
127.03905	5.6
136.01491	0.1
136.87518	0.1
139.03914	0.1
143.03387	7.8
153.01817	100.0
153.02780	3.7
154.02156	0.9
161.06136	0.1
163.03918	0.2
171.02866	0.1
191.03355	0.7
193.04718	0.1
196.21695	0.1
205.04967	0.2
207.02919	0.1
209.04462	0.2
213.03912	2.2
219.02843	0.1
221.04524	0.1
233.04446	0.2
237.03909	2.2
237.06163	0.1
261.03897	0.7
279.04968	2.6
297.06003	0.6
305.02856	0.1
449.07153	1.3
467.08148	0.1
583.89313	0.1
619.09027	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.3
51.02366	0.6
53.00295	0.1
54.28178	0.1
55.01863	0.2
69.03413	0.2
70.07783	0.4
74.91649	0.1
79.01849	5.4
81.03404	0.4
90.48376	0.1
91.05460	0.1
97.02888	1.2
103.05481	0.1
105.07023	0.2
105.52965	0.1
107.01307	1.2
109.02884	0.6
117.05213	0.1
121.06499	0.1
123.00778	0.3
123.04482	0.1
125.02343	4.0
127.03915	1.6
133.06470	0.2
143.03387	8.8
144.03703	0.2
147.50551	0.1
149.05978	0.1
153.01820	100.0
153.02780	3.9
154.02147	1.6
159.04362	0.1
161.05914	0.1
163.03709	0.1
165.09195	0.2
167.07068	0.2
174.07744	0.1
177.05507	0.2
183.03053	0.1
187.03850	0.1
191.03342	0.1
193.08609	0.5
194.08905	0.2
205.04974	0.2
209.08064	0.4
210.08467	0.2
211.09650	0.8
212.10001	0.2
213.03909	0.2
217.04846	0.1
233.04488	0.4
237.04016	0.2
243.02835	0.1
261.03949	0.6
279.04980	0.9
297.06100	0.4
305.02908	0.3
449.07101	1.5
467.08264	0.2
619.09100	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.3
51.02374	0.7
53.00301	0.1
53.03942	0.2
55.01860	0.2
62.65249	0.1
68.99776	0.1
69.03418	0.2
70.53900	0.2
71.04980	0.1
74.09677	0.1
79.01850	5.3
81.03414	1.2
86.72736	0.1
87.00832	0.1
88.26302	0.1
97.02886	1.2
98.21156	0.2
107.01305	1.2
109.02878	1.5
122.61522	0.1
123.00796	0.2
125.02336	3.8
127.03917	2.2
131.04907	0.2
141.41061	0.1
143.03387	8.8
143.71408	0.1
144.03773	0.1
153.01819	100.0
153.02779	3.7
154.02164	1.0
159.04398	0.2
163.03888	0.3
177.05466	0.1
181.01338	0.2
191.03433	0.2
205.04895	0.2
209.04555	0.1
213.03902	0.8
215.03372	0.1
217.04909	0.1
233.04416	0.4
237.03934	0.9
243.02859	0.1
261.03928	0.8
279.04959	1.2
279.07758	0.1
297.06091	0.3
305.02689	0.1
305.06403	0.1
346.70337	0.1
449.07086	1.4
619.09320	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.3
51.02361	0.7
53.00305	0.2
53.03947	0.2
55.01859	0.3
69.03407	0.3
71.04982	0.3
71.34396	0.2
79.01847	5.0
81.03413	1.7
83.01307	0.1
85.02902	0.3
90.05509	0.1
97.02882	1.1
99.04454	0.2
107.01320	1.1
109.02864	0.9
123.00761	0.3
123.04394	0.1
125.02344	3.7
127.03911	5.2
139.03909	0.2
143.03389	7.9
153.01820	100.0
153.02785	3.8
154.02119	1.0
158.80409	0.1
159.55942	0.1
163.03893	0.3
173.59157	0.1
175.03888	0.2
177.05431	0.2
183.02814	0.1
191.03380	0.6
197.61317	0.1
208.72343	0.1
209.04483	0.2
213.03908	1.8
214.00452	0.1
233.04515	0.3
237.03929	1.7
243.03026	0.1
261.04004	0.4
264.43347	0.1
279.04962	2.0
297.06131	0.3
305.02969	0.2
321.05109	0.2
326.97049	0.1
354.96671	0.1
449.07208	1.3
473.06302	0.4
510.24582	0.1
619.09021	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.3
51.02371	0.6
52.06873	0.1
53.00288	0.1
53.03939	0.1
55.01869	0.2
68.99780	0.2
69.03421	0.2
69.07101	0.1
70.06618	0.1
73.19684	0.1
79.01846	4.8
79.05450	0.1
81.03408	0.8
85.02906	0.2
87.00823	0.1
91.05476	0.1
93.07008	0.2
95.08561	0.1
96.84054	0.1
97.02888	1.0
107.01307	1.1
109.02862	0.6
116.46741	0.1
121.06577	0.1
123.00773	0.2
123.04441	0.6
125.02345	3.7
127.03907	3.1
135.04359	0.1
137.05879	0.1
139.03885	0.5
143.03387	8.8
145.04907	0.1
147.04404	0.2
151.03870	0.2
153.01816	100.0
153.02786	3.8
154.02145	1.1
159.04329	0.1
163.03899	0.7
167.07057	0.2
171.02921	0.2
174.16473	0.1
177.05450	0.2
179.03450	0.1
191.03397	1.3
192.71730	0.1
193.04924	0.1
193.08536	0.1
205.04919	0.2
207.02879	0.2
209.04460	0.4
213.03925	1.0
219.02859	0.3
221.04408	0.1
229.86731	0.2
233.04420	0.3
237.03923	4.3
261.03909	0.6
273.07562	0.2
279.04962	1.8
279.51114	0.1
297.05936	0.8
303.05194	0.1
305.05725	0.1
449.07141	1.6
475.98370	0.1
529.57806	0.1
619.09241	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.2
51.02368	0.5
53.03935	0.2
55.01867	0.3
56.26906	0.1
65.88737	0.1
67.05503	0.1
68.99779	0.1
69.03428	0.3
69.07057	0.1
70.06596	0.1
71.60258	0.1
74.09688	0.1
76.36690	0.1
79.01849	4.6
79.05492	0.2
81.03412	2.0
81.07056	0.1
83.01291	0.1
84.04515	0.1
85.02901	0.1
86.09700	0.1
87.00835	0.1
91.05474	0.2
93.07031	0.1
95.01312	0.1
95.04938	0.1
95.08612	0.1
97.02881	1.1
105.07060	0.1
106.91803	0.1
107.01307	1.1
107.04937	0.2
107.08564	0.1
109.02880	0.8
109.10187	0.1
123.00806	0.2
123.04449	0.4
125.02338	3.7
127.03910	6.8
128.04234	0.1
135.04364	0.1
137.05951	0.1
137.13161	0.1
139.03915	0.5
143.03389	7.8
147.04401	0.1
151.03876	0.1
153.01817	100.0
153.02773	3.7
154.02145	1.3
159.04382	0.1
161.05922	0.1
163.03893	0.3
165.05443	0.1
165.09125	0.1
166.04720	0.1
167.07062	0.1
171.02850	0.1
175.94427	0.1
177.05437	0.2
191.03383	0.6
193.04926	0.1
205.04974	0.1
207.03127	0.1
209.04533	0.1
213.03929	2.9
219.03130	0.1
233.04451	0.2
237.03931	1.3
261.03949	0.5
273.07571	0.1
277.76129	0.1
279.04968	2.6
297.06012	0.4
305.02844	0.1
315.08633	0.1
449.07098	1.2
511.48764	0.1
619.09393	0.3
619.22821	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	618.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.4
51.02387	0.6
53.03938	0.3
53.46986	0.1
55.01864	0.5
57.03417	0.2
59.29601	0.1
61.83886	0.1
65.03927	0.2
69.03428	0.4
70.06567	0.2
71.60089	0.2
71.60483	0.2
75.04475	0.3
79.01850	5.7
79.05485	0.9
81.03417	0.8
84.14521	0.1
85.02896	0.6
87.00815	0.1
91.05486	1.3
93.03415	0.6
93.07028	0.5
94.04191	0.1
95.01362	0.1
95.04956	0.5
97.02884	1.4
97.06518	0.2
103.05453	1.0
105.07027	4.0
106.04176	1.4
107.01301	0.9
107.04949	1.3
109.02888	0.7
109.06508	0.5
111.04398	0.2
115.05440	0.3
117.07006	0.2
118.04163	1.2
119.04938	0.7
119.25538	0.1
121.06503	2.0
122.07280	0.3
123.00787	0.3
123.04404	0.4
123.08064	0.5
124.05193	0.4
125.02346	3.7
125.05977	0.6
127.03907	1.9
131.04933	0.4
132.05690	0.1
133.06488	4.5
134.03645	0.3
134.07259	0.1
135.04408	0.5
135.08018	0.9
137.05966	1.3
143.03394	8.0
146.03618	0.2
147.04454	0.2
148.05179	0.2
149.05984	3.4
150.05556	0.1
150.06761	2.4
151.07542	1.0
153.01822	100.0
153.02786	3.9
153.09041	0.7
154.02153	1.0
159.04480	0.2
161.05971	1.2
163.03905	0.6
163.07527	0.8
165.05515	0.1
165.09114	3.1
167.07037	3.0
171.02902	0.3
177.05447	1.7
178.06233	0.4
179.07056	0.5
180.07782	0.2
181.08598	1.7
191.03392	0.1
191.07004	0.3
193.08600	12.5
195.06590	0.2
195.10149	0.5
205.04930	0.4
209.08083	8.6
211.09645	15.0
215.03278	0.1
233.04430	0.5
237.04062	0.3
253.20274	0.1
261.03909	0.5
279.04990	0.6
297.05948	0.6
302.31036	0.1
303.04929	1.1
304.05350	0.8
305.02673	0.3
373.21970	0.1
391.17538	0.3
403.17453	0.2
449.07144	1.2
467.08292	0.2
555.32764	0.1
619.09125	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62939	0.4
55.05505	0.8
56.96288	0.9
56.96560	15.8
58.64621	0.4
67.05493	1.4
69.07064	0.7
71.60609	0.6
71.95257	0.5
74.97588	0.5
79.05498	0.9
81.07057	1.7
83.08610	0.5
84.96026	11.1
91.05465	0.9
93.07030	1.5
95.08604	1.7
98.97568	6.0
102.97050	2.3
105.06985	0.7
107.08556	0.9
109.10152	1.0
110.97580	0.5
112.99165	0.7
115.51263	0.5
116.98609	6.4
116.99357	0.7
119.04965	0.6
119.08637	0.6
120.98103	1.0
121.10170	0.8
123.04388	0.5
123.11717	0.8
124.99122	0.6
128.98599	2.1
131.00174	1.4
133.10172	0.6
134.99652	5.8
140.00116	0.8
140.98572	1.0
143.00142	5.5
144.98106	2.1
146.99637	4.1
149.01187	3.1
153.00662	0.9
153.01796	0.5
155.00169	1.2
157.01727	1.1
158.01234	0.6
158.99619	2.0
161.01199	15.5
162.99138	5.7
165.00748	1.6
167.02281	2.0
167.10515	0.4
170.01260	0.7
173.01225	3.8
175.02777	1.2
177.00720	1.9
179.02290	4.2
180.94809	0.6
181.00218	1.4
182.99571	2.2
184.02817	1.7
185.01286	0.6
186.00824	1.2
190.95367	1.8
191.02303	1.2
195.01845	0.6
198.95802	3.3
201.00691	8.4
203.02298	1.1
212.97432	0.6
216.96944	1.8
217.03882	0.7
219.01772	2.9
221.97577	0.6
224.02194	2.1
224.97464	1.2
228.96935	1.1
229.89197	0.4
236.97226	0.5
240.38559	0.5
240.96889	3.8
242.98489	1.7
246.95833	1.6
246.97977	1.5
254.98409	1.0
258.98059	1.2
264.96878	7.1
282.97913	13.9
287.98541	1.4
296.99545	1.0
297.13766	0.5
300.98987	10.4
305.99509	3.4
317.17853	15.3
324.00598	1.6
327.08728	0.6
333.20520	1.0
335.18906	9.2
335.25555	0.7
357.01785	1.5
358.20486	3.7
375.02686	2.5
391.21863	1.3
398.04126	1.1
557.20886	0.8
599.21906	1.4
614.31927	0.5
617.22986	100.0
617.36377	9.5
618.23218	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	618.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62919	1.7
53.03935	2.3
55.01875	2.1
57.03430	1.8
67.05472	1.5
69.03397	7.2
70.06550	2.3
71.05000	2.7
71.58811	2.4
71.84130	1.4
73.02934	2.2
79.01862	1.9
79.05479	4.9
81.03405	10.6
85.02905	15.4
91.05486	8.0
93.07027	5.0
95.04953	4.5
97.02885	5.5
99.04443	1.9
102.57119	1.4
102.70402	1.6
103.05486	9.5
105.07036	15.3
105.56406	1.6
106.04138	2.0
107.04952	70.7
107.08616	2.6
109.06537	1.5
115.05465	6.4
119.04931	1.5
120.05743	2.6
121.06487	11.5
123.04424	8.1
124.05148	2.0
125.02357	2.5
127.03914	6.9
131.04941	8.4
133.06476	18.2
135.04407	3.9
135.08072	25.2
137.05983	4.0
143.03380	4.1
145.04991	1.9
145.06451	2.2
147.04352	2.6
149.05968	17.6
150.06758	3.3
151.07498	5.0
153.01823	35.2
153.02881	1.6
154.06247	2.3
161.05971	20.3
163.03880	6.7
163.07539	78.0
165.05496	4.6
165.09097	3.3
166.06219	3.6
167.07033	100.0
175.07510	1.7
177.05492	8.3
179.07054	8.9
180.07835	2.2
181.08569	31.0
189.05481	2.7
191.07037	4.4
193.08597	41.3
195.06546	5.3
195.10164	81.3
197.08122	3.9
197.11668	1.9
199.07510	2.0
205.08624	1.9
207.06528	3.3
207.10155	5.1
209.08109	20.5
211.09650	41.7
213.05504	1.8
213.11244	18.0
221.08025	3.7
223.09639	2.8
225.11203	3.6
229.68741	1.8
233.08159	2.3
237.11201	3.0
251.09181	1.6
253.10818	5.2
291.12244	4.3
305.10397	2.2
321.13385	5.2
323.11072	3.2
341.12369	6.5
347.67773	1.6
391.17465	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	617.1134
Annotation	Myricetin 3-(4''-galloylrhamnoside)
Peak:m/z	Relative Intensity
50.01608	0.1
51.02376	0.3
53.30349	0.1
54.79844	0.1
55.05511	0.5
57.03364	0.1
61.20796	0.1
67.05485	0.1
67.59859	0.1
68.99796	0.1
69.03424	0.3
70.84462	0.2
79.01399	0.2
79.01844	2.6
81.03398	0.3
83.04974	1.4
84.74593	0.1
85.02904	0.3
86.09711	0.1
91.05469	0.1
93.31277	0.1
97.02889	0.9
107.01308	0.5
109.02206	0.1
109.02833	0.5
111.00816	0.2
111.04436	0.6
123.00709	0.1
123.04417	0.2
123.08083	0.1
125.02341	2.8
127.03906	0.4
129.05486	0.2
137.02367	0.2
139.03889	0.2
143.03383	5.2
144.03734	0.1
147.04417	0.1
151.03938	0.1
152.38014	0.1
153.01816	100.0
154.02141	1.3
161.31093	0.1
165.01808	0.3
171.02901	0.3
177.05424	0.1
183.02863	0.1
217.04941	0.2
245.04428	0.2
273.03986	0.2
277.03491	0.2
286.07782	0.2
290.95346	0.1
299.07578	4.4
303.05005	1.9
319.04465	4.7
477.82449	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	617.1133
Annotation	Quercetin 4'-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
51.02370	0.6
53.03931	0.9
55.01872	0.6
57.03422	0.3
59.05005	0.2
65.03949	0.2
68.99795	0.3
69.03416	2.8
70.06590	0.3
71.04978	0.5
71.59650	0.3
71.60054	0.3
73.02908	0.3
79.01852	3.1
81.03414	7.0
85.02901	2.4
91.05420	0.3
97.02887	5.1
99.04446	0.8
103.05481	0.3
107.01301	1.4
109.02869	4.9
111.00816	0.4
121.02863	0.6
122.38840	0.2
123.04397	0.4
125.02344	3.7
127.03905	5.4
137.02316	1.5
143.03377	6.7
145.04929	1.0
149.06021	0.3
153.01816	100.0
154.02177	0.7
163.03882	0.5
165.01839	0.8
171.02873	9.7
177.05283	0.2
179.98857	0.2
183.02872	0.6
187.03946	0.3
201.05466	0.6
209.08127	0.4
229.04941	2.8
231.02876	0.3
247.06036	0.5
255.36926	0.3
257.04370	1.6
259.02435	0.5
274.04684	0.4
277.03470	1.4
285.03885	0.5
297.06030	10.6
297.09409	0.5
303.04965	58.4
304.05261	0.9
313.05447	0.2
315.07065	4.5
345.06110	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.7
52.84969	0.2
53.03942	0.8
55.01875	0.3
63.55868	0.3
65.03932	0.3
69.03069	0.6
69.03423	7.2
70.06585	0.5
71.05014	0.5
71.59551	0.3
71.59932	0.3
79.01852	5.4
81.03407	4.0
83.01344	0.5
84.37392	0.3
85.02899	1.3
91.05474	0.6
95.04958	0.3
97.02879	2.2
99.04439	0.7
101.44868	0.3
103.05444	0.5
107.01306	1.3
107.04939	0.6
109.02872	2.3
114.32696	0.3
119.04918	0.6
121.87601	0.3
123.00753	0.4
123.04399	0.7
125.02345	4.0
127.03918	4.4
131.04865	0.7
135.04410	0.3
139.03958	0.4
140.24957	0.3
143.03391	8.1
145.04930	0.4
147.04422	1.2
151.03841	0.4
153.01817	82.7
153.02774	3.3
154.02126	0.7
157.02806	0.6
159.04387	0.8
163.03903	1.0
167.07072	0.4
171.02873	0.8
173.02357	0.5
175.03841	1.8
177.05423	0.4
179.03474	0.7
185.02315	1.1
187.03888	3.8
189.16428	0.3
191.03346	1.9
201.01868	0.6
203.03404	2.4
205.04941	0.7
207.02922	0.6
209.04466	0.3
213.01833	2.4
215.03400	3.1
219.02913	0.8
226.98811	0.3
229.01323	0.9
230.02174	0.5
231.02878	14.2
233.04414	0.7
233.98515	0.3
237.04008	1.8
241.01273	2.3
243.02829	0.4
247.02357	1.2
257.00815	1.2
259.02359	26.8
260.02893	0.5
261.03943	1.0
275.01874	1.3
276.02588	1.5
277.03412	100.0
278.03772	1.4
279.05106	0.4
285.00330	0.9
297.06006	1.3
303.01343	17.1
303.04739	1.0
315.07080	0.5
321.02359	2.0
345.02399	0.4
363.03403	1.3
397.41333	0.3
447.05637	0.8
479.04449	0.4
518.77979	0.3
617.07935	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	617.0768
Annotation	Phyllanemblinin A
Peak:m/z	Relative Intensity
50.01580	0.6
50.35540	0.2
51.02371	0.9
53.03939	1.7
55.01871	0.4
57.03411	0.2
60.60263	0.2
68.99759	0.3
69.03423	6.0
69.51357	2.1
71.04988	1.4
79.01844	6.1
81.03409	11.3
83.01286	0.2
85.02893	0.8
87.00828	0.3
91.05479	0.6
97.02885	4.4
98.20770	0.5
98.21431	0.5
99.04445	2.3
103.05440	0.7
106.04149	0.2
107.01313	2.1
109.02870	8.7
119.04939	0.2
121.06485	0.3
123.00782	0.3
123.04410	0.4
125.02343	5.0
127.03902	5.1
131.04933	0.6
139.03935	0.2
143.03387	10.5
147.04402	1.0
149.05960	0.5
151.03976	0.3
153.01816	100.0
153.02797	4.1
154.02211	0.7
155.58354	0.2
157.02824	0.6
159.04401	0.5
161.39297	0.2
163.03871	0.6
169.42047	0.2
171.02843	2.0
173.02336	0.6
175.03886	1.3
177.05504	0.4
179.03406	0.2
185.02299	0.8
187.03897	3.4
191.03401	0.6
201.01801	0.6
203.03363	3.0
209.08075	1.0
210.08510	0.4
213.01819	2.4
215.03380	2.3
219.02945	0.6
229.01247	1.0
230.02048	0.3
231.02861	12.9
233.04442	0.4
237.03885	0.5
241.01320	1.9
247.02362	1.7
257.00812	1.3
259.02356	20.9
260.02914	0.3
261.03845	0.3
275.01828	1.9
276.02628	2.4
277.03412	66.1
278.03714	0.6
279.04922	0.4
285.00143	0.6
297.06052	3.7
303.01361	19.0
303.04828	1.8
305.02872	0.3
315.07104	0.3
321.02411	1.8
324.99908	0.3
331.00967	0.5
341.05533	0.2
435.48688	0.3
447.05209	0.4
550.24963	0.2
617.07581	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	616.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.6
57.07071	24.8
59.05007	0.5
62.57750	0.3
65.00803	0.3
69.07063	1.1
69.36958	0.5
69.37363	3.4
71.08626	26.1
73.02905	0.5
73.06549	10.1
83.08611	3.5
85.10175	24.0
87.04465	8.1
87.04968	0.6
89.06025	100.0
90.06357	0.5
91.07592	0.8
97.10161	1.1
98.20695	0.7
99.11716	3.2
107.07064	5.2
117.07105	0.3
117.08290	0.5
117.09121	8.2
130.08621	4.1
131.07042	2.4
133.08592	55.5
134.08849	0.4
135.10158	1.5
141.16368	4.9
149.50893	0.4
161.11734	2.6
175.09666	1.7
177.11209	26.5
179.12849	0.4
185.18990	6.6
190.25439	0.3
195.12360	0.5
205.14276	0.4
219.12221	0.6
221.13843	6.0
223.15416	0.5
226.21596	1.5
229.21623	14.1
230.84946	0.4
239.14836	1.9
265.16406	1.1
273.24228	9.2
283.17441	3.1
309.19098	1.6
327.20105	1.3
353.21628	0.7
371.22644	1.3
415.25281	1.0
423.33066	0.5
459.27945	3.5
555.40552	1.0
599.43622	11.8
600.43707	0.4
616.36932	0.5
616.46252	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	615.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.2
51.02375	0.4
52.84147	0.1
53.00289	0.2
53.03936	0.3
55.01861	0.5
55.05504	1.0
57.07049	0.2
65.03929	0.6
67.05502	2.2
68.99779	0.9
69.03418	0.3
69.07062	1.5
70.76364	0.3
71.04977	0.1
71.08626	0.2
77.03901	0.6
79.05479	0.7
81.03404	0.3
81.06575	0.2
81.07049	3.7
83.04974	0.5
83.08617	0.7
84.08159	0.2
85.06510	0.2
91.05466	0.6
93.03392	0.2
93.07042	1.2
95.04951	1.1
95.08601	4.6
97.02872	0.3
97.06529	0.2
97.10162	0.6
99.08100	0.2
105.03374	1.0
105.04528	0.2
105.07008	0.5
107.04935	0.2
107.08577	1.3
109.06509	0.1
109.10139	2.3
111.00803	0.9
111.04424	2.3
111.08081	0.2
111.11700	0.4
119.04952	0.3
119.08566	0.6
121.02830	0.1
121.10107	0.9
123.04417	100.0
123.11684	1.1
124.04759	0.3
125.02357	0.1
125.09592	0.3
125.13274	0.2
127.03902	0.5
131.08597	0.3
133.10132	0.3
135.04425	1.2
135.08054	0.2
135.11690	0.6
137.02335	0.1
137.05969	0.6
137.09631	0.2
137.13232	0.6
139.03889	80.6
140.04199	0.2
145.06485	0.3
145.10086	0.2
147.04404	3.5
147.11653	0.4
149.05896	0.2
149.13263	0.4
151.03891	7.6
151.07542	0.2
151.14812	0.9
153.01810	0.5
153.05469	0.4
153.59927	0.1
157.12196	0.3
159.11708	0.2
161.05969	0.4
161.13240	0.2
163.03891	1.5
163.07516	0.6
163.14824	0.3
165.05469	0.6
165.12683	0.2
165.16376	0.2
167.07050	0.3
172.35480	0.1
173.13182	0.3
177.05371	0.2
177.16409	0.2
179.14267	0.4
179.17886	0.2
181.04997	0.1
183.13731	0.1
185.05989	0.2
187.07422	0.2
189.05472	0.9
189.16368	0.2
191.06982	0.2
191.17859	0.3
193.15846	0.2
195.13811	0.2
197.15279	0.1
199.07542	0.1
203.07010	0.2
207.17494	0.2
214.17982	0.8
215.18193	0.5
227.07047	0.2
231.06602	0.2
233.19044	0.2
237.18449	0.2
245.04538	0.2
251.19955	0.3
255.06528	0.5
259.24374	0.2
263.93896	0.1
271.05994	0.3
271.24173	0.4
273.07553	19.6
277.25317	0.4
285.07538	1.6
289.25174	0.8
291.08658	1.6
295.26431	0.2
307.26282	1.9
311.16556	0.2
325.27228	0.5
417.33685	0.7
427.28348	0.3
435.34576	0.5
441.29922	0.4
445.20023	0.2
445.29340	0.2
453.35956	0.2
459.31378	0.1
579.32770	0.3
597.33374	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4823
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
52.27757	0.5
52.66205	0.4
53.03940	1.5
55.05511	11.3
57.03436	4.0
57.07073	2.7
57.17909	0.5
65.03928	1.3
67.05502	34.5
69.06717	1.1
69.07068	13.7
71.04987	1.5
79.05490	18.8
81.07054	37.4
83.04974	1.0
83.08620	7.7
85.06551	1.0
91.05478	14.8
93.07040	25.1
95.04969	1.9
95.08604	34.2
97.06540	1.9
97.10177	3.3
99.08094	0.9
105.07030	16.1
107.08589	16.8
107.09293	1.1
109.06531	1.0
109.10151	14.7
110.11401	0.5
111.08082	0.9
111.11722	0.7
115.21988	0.5
117.07020	6.0
119.08580	15.2
119.09451	0.8
121.10137	15.1
123.08056	0.8
123.11705	6.9
125.09647	0.8
128.06290	0.6
129.06998	3.1
131.08559	13.5
133.10124	13.2
135.11696	11.0
137.09624	0.8
137.13228	3.2
139.11220	0.9
141.07025	0.5
143.08574	4.0
145.10110	13.4
147.11682	11.4
149.13231	6.3
151.14809	1.5
155.08536	1.3
156.24139	0.6
157.10088	4.6
159.11696	10.4
161.13245	8.2
163.11052	0.9
163.14812	3.9
165.16412	0.5
169.10196	2.0
171.11661	4.2
173.13266	9.7
175.14795	3.9
177.16443	0.9
181.10065	0.7
183.11731	1.5
185.13284	3.9
187.14789	4.3
189.16422	2.1
191.18057	0.6
195.11729	0.7
197.13263	1.8
199.14856	2.7
201.16396	2.0
203.18048	1.9
211.14868	0.8
213.16443	1.8
215.18040	1.6
217.19600	1.4
227.17993	0.8
229.19487	1.3
231.21104	1.1
239.17970	0.9
241.19594	2.3
243.17311	0.8
243.21118	1.6
245.22638	0.7
251.06331	0.6
259.20535	6.0
261.22141	7.8
263.23776	0.9
273.22260	0.6
275.23694	0.6
279.23352	1.2
281.21060	0.9
287.23724	1.0
297.24396	0.7
299.23795	1.6
301.25385	0.9
313.25357	0.9
315.26877	0.7
317.24847	1.0
333.24213	4.7
335.25800	12.8
337.27353	7.4
341.28479	1.0
355.29907	0.7
367.29816	0.6
369.31143	0.7
389.88983	0.6
489.36124	1.5
503.37244	1.6
517.38647	1.1
521.43652	3.9
529.38605	1.1
539.44617	2.3
543.40399	1.5
557.46051	0.7
566.91003	0.6
567.44513	0.7
595.47229	9.6
613.48224	100.0
614.48663	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	613.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.2
53.03938	0.5
55.01865	0.2
67.01865	0.4
69.03416	0.3
69.79214	0.3
69.79630	0.7
70.06586	0.8
77.03941	0.2
79.01852	0.7
79.05490	0.8
79.05907	0.1
81.03420	1.8
85.02901	0.8
91.05473	0.6
95.04975	0.9
97.02892	0.9
99.04456	0.2
107.04950	70.2
108.05285	0.4
109.02899	0.9
119.04922	0.9
123.04441	0.5
125.02359	0.6
125.06010	0.3
127.03934	1.0
137.05928	0.3
139.03842	0.2
143.03362	1.3
147.04407	3.2
151.03873	0.4
153.01822	24.6
165.05495	0.2
167.07022	0.4
171.02881	2.1
175.03830	0.2
177.05452	0.7
181.04922	0.2
192.04103	0.9
193.04958	39.0
194.05272	0.2
204.00002	0.2
206.42531	0.2
277.65833	0.3
297.06027	2.7
299.09125	100.0
300.09467	1.1
315.07053	1.2
440.47162	0.2
467.09464	0.5
613.15436	0.7
613.28284	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.482
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03938	1.4
55.01854	0.9
55.05259	0.7
55.05510	11.5
57.03228	0.4
57.03441	3.8
57.07076	2.6
57.91753	0.4
65.03941	1.6
67.05501	34.1
69.07062	12.2
71.04980	1.5
71.08603	1.2
72.41503	0.4
79.05488	19.4
81.07052	37.7
82.07380	0.4
83.04943	0.6
83.08615	6.9
85.06547	1.5
91.04887	0.8
91.05471	15.3
93.07036	24.4
95.04955	2.7
95.08601	30.7
96.08945	0.7
97.06528	1.7
97.10158	3.8
98.20705	0.9
99.08081	1.2
105.04504	0.7
105.06300	0.6
105.06419	0.3
105.07021	16.4
107.08584	17.3
107.09286	0.9
109.06522	0.9
109.10149	16.2
111.08095	1.5
111.11676	0.5
113.83001	0.4
115.05496	0.8
117.07011	6.9
119.08578	15.6
119.67244	0.4
121.10134	12.9
123.08018	1.0
123.11696	7.4
125.09593	0.9
128.06189	0.4
129.07011	2.9
131.07579	0.7
131.08556	13.1
133.10120	14.4
135.08081	0.6
135.11674	9.6
137.09615	0.9
137.13260	2.4
141.06998	1.2
142.07817	0.5
143.08543	3.8
145.10115	12.3
147.11661	10.3
147.12772	0.6
149.13249	6.3
151.14799	1.1
155.08575	1.4
157.10120	3.5
159.11679	9.7
161.13260	7.3
163.11159	0.5
163.14821	2.8
165.16396	0.8
169.10126	1.6
171.11688	4.4
173.13251	6.5
175.14799	4.2
177.12769	0.6
177.16420	1.4
181.10114	0.9
183.11705	1.6
185.13240	4.0
187.14832	4.1
189.16356	2.2
191.14363	0.4
191.18036	0.6
195.11685	0.5
197.13266	1.6
199.14848	2.8
201.16388	2.5
203.17953	1.6
207.43251	0.4
209.13071	0.6
211.14752	1.1
213.16435	1.8
215.17967	1.0
217.19493	0.7
225.16339	0.8
227.18063	0.7
229.19531	0.8
229.78146	0.5
231.17442	0.6
231.21101	1.1
239.18109	0.5
241.19724	2.6
243.20987	2.2
245.22676	1.0
247.20552	0.8
257.19125	0.6
259.20572	6.0
261.22131	7.9
261.24786	0.6
263.23685	1.2
273.22223	1.0
277.21762	0.9
279.23169	0.5
283.22699	0.5
285.22256	1.1
287.23703	1.0
295.22925	0.8
299.23718	1.1
301.25397	0.8
305.21045	0.5
307.75101	0.5
313.25198	1.0
315.23358	0.9
317.24866	1.0
323.25970	0.6
333.24194	5.2
335.25787	11.5
337.27301	6.4
341.28296	0.7
347.25671	0.5
355.29950	0.9
369.31604	0.8
377.30957	0.6
393.31158	0.5
401.30402	0.6
415.32162	0.8
429.33777	0.6
435.31915	0.5
451.35648	1.0
475.33917	0.7
477.35394	0.5
489.35510	1.3
503.37238	1.7
503.43506	0.9
505.38791	0.6
517.38971	0.8
521.43774	4.3
526.50854	0.5
529.39142	0.7
531.39899	0.7
537.46790	0.5
539.44598	2.7
543.40552	1.7
557.42059	0.5
571.43494	0.6
577.46136	0.8
585.44806	0.7
595.47180	10.9
613.48218	100.0
614.48767	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	611.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25018	0.6
53.03940	0.9
55.01857	1.2
55.05508	11.9
57.03437	4.5
57.07066	2.4
64.05112	0.7
65.03921	1.4
65.74650	0.6
67.05500	30.3
69.07060	10.7
69.96135	2.2
69.96549	2.0
71.04964	0.9
71.08641	1.0
77.03891	0.6
79.05486	20.4
81.07046	33.0
83.05006	1.1
83.08601	5.9
85.06509	1.7
89.06009	0.7
91.05470	19.9
91.06007	1.4
93.07037	27.1
95.04955	3.9
95.08598	25.2
95.26164	0.7
97.06517	2.5
97.10180	3.0
99.08094	1.0
105.07017	22.3
105.07674	1.3
107.08582	15.2
109.06514	2.0
109.10138	12.0
109.10823	1.0
111.08035	1.0
111.11715	1.0
113.81730	0.7
115.05480	1.3
117.07015	11.1
119.08569	19.6
121.10128	12.4
123.08060	1.3
123.11682	3.8
125.09634	0.9
128.06247	1.0
129.06981	6.5
129.35785	0.6
131.08553	15.7
133.10135	14.2
133.19087	0.8
135.08040	1.0
135.11688	8.0
137.13222	1.3
141.06953	1.9
142.07791	1.4
143.08521	8.5
145.10112	14.7
147.08083	1.0
147.11682	13.9
149.09589	0.8
149.13266	5.8
155.08586	3.7
156.09282	1.1
157.10117	10.7
159.11673	13.5
161.13225	8.8
163.11192	1.4
163.14839	2.6
167.08533	2.0
169.10109	4.9
171.11655	7.7
173.13255	10.5
175.14821	5.8
181.10124	2.5
183.11674	4.6
185.13234	7.6
187.14760	3.5
189.16443	1.2
195.11749	1.9
197.13272	4.8
199.14816	5.7
201.16367	3.5
203.17860	1.4
209.13335	2.6
211.14928	2.3
213.16400	3.6
215.17960	2.8
217.16040	0.9
223.14856	1.3
225.16331	1.2
227.17944	1.7
229.19455	1.5
231.21162	1.7
239.17995	1.5
241.19569	6.4
243.21071	1.4
243.93271	0.7
250.48232	0.7
251.17834	1.2
255.21419	0.8
257.19012	2.7
259.20551	15.6
261.22168	2.8
285.21951	1.1
297.22119	1.2
315.23239	1.8
327.22791	0.8
333.24164	7.8
335.25778	13.7
337.27640	1.0
339.26825	1.5
353.28333	1.1
367.30075	0.9
381.32019	1.0
435.31543	0.9
449.33679	1.1
487.34848	1.0
501.35529	1.0
515.37793	1.0
519.41730	5.7
527.37042	1.1
529.39233	1.0
536.22980	0.8
537.42896	2.7
541.38928	2.1
567.89819	0.9
593.45758	8.5
611.46637	100.0
612.47119	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01857	1.1
55.05254	1.4
55.05505	14.6
57.03429	4.8
57.07067	2.8
58.02857	0.8
63.89430	0.8
65.03930	2.0
67.05501	37.8
69.07063	15.6
69.55225	7.4
71.04993	2.3
71.08627	1.3
79.05135	0.5
79.05485	25.4
81.07049	39.2
83.04963	1.9
83.08605	7.2
85.06521	1.4
91.05473	24.3
93.07037	32.2
95.04958	4.4
95.08597	30.7
97.06533	2.0
97.10177	3.2
99.08093	0.9
105.06306	1.4
105.07023	27.4
107.08586	20.6
109.06531	1.6
109.10140	12.9
111.08045	2.0
117.07008	11.3
119.08570	25.8
121.10140	16.2
123.08027	1.0
123.11673	4.8
125.09625	1.0
128.06261	2.0
129.06987	7.7
131.08562	19.5
133.10114	17.9
135.11676	10.3
137.09621	1.1
137.13284	1.8
141.06978	2.4
143.08563	9.6
145.10112	19.0
147.11678	15.7
147.12775	1.1
149.09586	1.5
149.13240	6.8
151.11137	1.2
155.08467	4.3
156.09268	1.1
157.10121	9.1
159.11671	14.2
161.13254	13.0
163.14816	2.9
167.08629	0.9
169.10120	5.4
171.11665	9.7
173.13242	10.9
175.14812	5.6
177.12784	0.9
179.14333	1.0
181.10118	2.8
183.11697	5.9
185.13234	8.5
187.14732	4.8
189.16377	1.8
192.18259	0.9
195.11743	2.0
197.13287	5.3
199.14806	4.7
201.16435	3.0
209.13249	1.9
211.14818	4.0
213.16412	3.8
215.17918	1.9
221.13289	0.9
223.14842	1.0
225.16420	2.1
227.17996	2.3
229.19466	1.1
231.21098	1.4
237.16402	1.4
239.18033	2.8
241.19614	6.6
243.21124	1.7
251.17651	1.3
254.09859	0.9
255.21306	1.0
257.19043	2.6
259.20517	14.8
261.22189	3.1
287.23871	0.9
304.29822	0.9
311.23590	1.1
333.24170	9.3
335.25778	18.1
337.27594	1.8
351.25919	1.0
353.28470	1.0
373.56940	0.8
475.34415	1.2
501.41199	1.3
519.41809	5.7
529.38861	1.3
537.42621	2.0
541.39227	1.1
593.45837	7.4
611.46661	100.0
612.46881	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1604
Annotation	3,7,2',3',4'-Pentahydroxyflavone 3-neohesperidoside
Peak:m/z	Relative Intensity
51.24598	0.2
53.03938	0.4
55.78362	0.1
57.03434	3.0
57.44699	0.2
59.04990	0.3
59.77639	0.1
61.02919	0.5
61.25176	0.2
67.01859	0.2
68.99804	0.6
69.03432	0.9
71.01337	0.4
71.04989	20.1
71.59711	0.3
73.02911	0.6
75.04469	0.6
81.03416	0.4
83.04979	0.6
85.02901	25.1
87.04481	0.6
97.02917	0.8
99.04439	0.2
100.49833	0.2
107.04966	0.3
109.02881	0.5
111.00778	1.1
111.04443	0.7
119.04906	0.2
121.02850	1.3
123.04430	0.8
127.03911	0.9
129.05475	5.9
133.02840	0.3
135.04405	0.2
137.02336	2.8
139.03886	0.5
145.04974	0.2
147.04446	1.1
147.06503	1.1
149.02322	0.4
153.01825	3.4
161.05936	0.3
163.03938	0.7
165.01833	2.5
166.02657	0.2
173.06096	0.3
183.02890	0.6
191.03383	0.3
195.02925	0.3
201.05476	1.5
203.03288	0.2
205.05016	0.2
213.05437	0.5
219.06529	0.2
228.04173	0.2
229.04938	3.0
231.06404	0.2
239.03426	0.2
241.04985	0.4
247.06087	1.0
257.04480	2.5
258.05341	0.4
259.02280	0.3
259.06116	0.2
271.05875	0.2
274.04703	0.6
275.05435	0.4
277.03625	0.3
285.03906	1.4
287.05484	30.2
288.05920	0.5
299.05637	0.2
303.04968	100.0
304.05283	1.6
345.06024	0.5
369.06201	0.2
380.35715	0.2
395.07608	0.2
425.08707	0.2
431.09323	0.2
449.10767	3.1
462.05640	0.2
465.10281	19.6
466.10510	0.2
506.67010	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60803	0.5
53.03951	1.6
55.01857	1.0
55.05511	10.8
57.03440	4.8
57.07070	1.9
63.68805	0.5
65.03944	1.6
67.05502	27.6
69.07066	12.5
69.27770	7.4
71.04991	1.5
79.05492	19.7
81.07054	32.4
83.04977	1.0
83.08601	6.5
85.06551	1.7
91.05473	21.6
93.07038	25.7
95.04972	3.5
95.08604	26.6
97.06534	1.8
97.10184	3.0
99.08086	1.6
103.05489	0.8
105.07026	23.3
107.08594	15.3
109.06530	0.8
109.10139	11.2
111.08094	1.2
115.05438	1.4
117.07009	9.5
119.08576	19.6
121.10138	13.1
123.08075	0.7
123.11676	3.6
125.09621	1.0
128.06204	1.2
129.06992	6.0
131.08566	16.3
133.10123	15.3
135.11690	8.7
139.11198	0.7
141.07016	1.8
142.07806	1.8
143.08557	8.4
144.09335	0.9
145.10106	16.3
147.11681	13.8
149.13266	5.2
155.08572	4.3
156.09390	1.1
157.10127	7.6
159.11694	14.2
161.13263	9.5
163.11215	0.7
163.14795	3.0
167.08604	1.6
169.10129	5.1
171.11679	8.3
173.13248	7.6
175.14821	4.5
177.12857	0.7
181.10173	1.8
183.11708	5.8
185.13269	6.3
187.14824	5.7
189.16420	1.4
195.11748	2.3
197.13264	4.4
199.14845	4.9
201.16429	2.7
209.13326	1.8
210.71887	0.8
211.14874	2.1
213.16423	2.6
215.17982	2.2
217.15910	0.9
217.19650	1.0
223.14899	1.8
225.16399	1.7
227.17969	1.6
229.19534	2.0
231.21133	1.6
237.16380	0.9
239.18047	1.9
240.39874	0.6
241.19612	7.1
243.21138	2.4
251.18018	1.0
257.19080	3.3
257.22440	0.7
259.20566	13.7
261.22006	3.7
271.20755	0.8
283.20599	0.8
289.21802	0.7
297.22076	1.2
299.23782	0.7
311.23602	1.0
315.23257	1.0
316.67361	0.7
333.24234	9.8
335.25812	16.7
337.27802	1.3
339.26816	0.9
351.26468	1.1
353.28357	1.4
367.30139	1.1
381.31796	1.0
395.33365	1.0
441.66245	0.7
449.34589	0.9
451.36215	0.7
515.37347	1.0
519.41888	4.2
527.37677	0.7
537.42688	3.2
541.39093	1.0
593.45624	8.4
611.46667	100.0
612.47107	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.2
55.01864	0.3
55.05504	0.2
56.38294	0.1
57.03431	1.8
59.04996	0.1
61.02924	0.5
65.03946	0.1
67.63155	0.1
68.99809	0.3
69.03425	1.2
70.46488	0.1
70.97047	0.2
71.01357	0.1
71.04988	10.4
73.02914	0.3
75.04476	0.5
81.03428	0.5
83.04983	0.6
85.02898	14.9
86.63388	0.1
87.04462	0.4
91.03946	0.3
93.03386	0.2
95.04951	0.1
97.02880	1.4
99.04450	0.3
100.56210	0.1
103.03950	0.2
109.02879	0.6
109.03498	0.1
109.84034	0.1
111.00813	0.7
111.04429	0.3
121.02848	0.7
123.04449	0.4
127.03893	0.9
129.05470	3.5
137.02324	2.5
145.04939	0.7
147.04448	0.2
147.06519	1.0
149.02347	0.4
153.01811	2.8
159.04446	0.1
159.90253	0.1
161.06018	0.2
161.56252	0.1
163.03918	0.5
165.01839	1.6
166.02612	0.3
171.02731	0.1
173.05905	0.2
177.05551	0.1
183.02904	0.5
183.04359	0.2
187.03893	0.3
191.03343	0.1
195.02916	0.1
201.05476	1.1
207.03085	0.1
213.05545	0.1
219.02956	0.1
219.06490	0.3
228.04198	0.2
229.04950	3.4
246.05223	0.1
247.06018	0.6
257.04422	2.1
274.04688	0.7
275.05466	0.2
285.03949	1.1
287.05649	0.5
299.05713	0.1
302.04449	0.1
303.04962	100.0
304.05276	1.4
315.04901	0.2
345.05911	0.4
447.08997	0.2
449.10452	0.2
465.10413	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27391	0.2
53.03934	0.3
53.75565	0.2
55.01856	0.3
57.03429	1.6
59.05001	0.2
61.02907	0.6
61.46708	0.2
65.03944	0.2
68.99785	0.5
69.03433	1.1
71.04990	10.9
71.58562	0.3
73.02901	0.2
74.33176	0.2
75.04462	0.5
76.60075	0.2
81.03408	0.6
83.04955	0.7
85.02900	14.9
87.04441	0.4
91.24274	0.2
95.25325	0.2
97.02908	1.5
99.04433	0.3
109.02853	0.8
111.00767	0.6
111.04469	0.3
117.81827	0.2
121.02856	0.8
123.04397	0.5
127.03918	1.3
129.05472	4.1
135.04431	0.4
137.02344	2.3
139.03879	0.3
145.05013	1.0
145.05991	0.2
147.04405	0.3
147.06479	1.5
147.28903	0.2
149.02298	0.4
151.03905	0.3
153.01816	4.4
163.03871	0.5
165.01845	1.3
171.02878	0.3
173.05986	0.6
183.02914	1.0
183.04388	0.2
195.02879	0.3
201.05478	0.7
205.05138	0.2
219.06433	0.3
229.04961	2.8
247.06029	0.7
257.04425	1.6
258.05121	0.2
266.12866	0.2
274.04700	0.6
285.03937	0.8
287.05481	16.0
287.99896	0.2
303.04971	100.0
304.05307	2.2
359.40063	0.2
449.10663	0.6
465.10458	0.6
612.89337	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1602
Annotation	Rutine
Peak:m/z	Relative Intensity
50.11190	0.1
53.03954	0.3
55.01872	0.2
55.05511	0.1
56.05095	0.1
57.03442	1.6
59.05007	0.2
61.02921	0.6
68.99797	0.5
69.03419	1.1
69.73824	0.7
71.04989	10.9
73.02891	0.5
75.04483	0.6
81.03403	0.7
83.04975	0.5
85.02901	14.8
87.04466	0.4
91.03930	0.3
93.03405	0.1
95.04979	0.3
97.02882	1.4
99.04446	0.3
109.02882	0.5
111.00783	0.7
111.04436	0.4
121.02877	0.6
123.04445	0.2
123.53875	0.1
127.03892	0.9
129.05470	3.5
133.22644	0.1
137.02332	2.1
145.04955	0.9
147.04546	0.1
147.06516	1.2
149.02351	0.4
153.01813	2.6
160.26730	0.1
161.06049	0.2
163.03925	0.5
165.01831	1.7
166.02641	0.2
168.06380	0.1
173.05997	0.2
183.02919	0.5
183.04343	0.1
201.05420	1.1
205.04996	0.1
207.02863	0.1
209.98340	0.1
215.03297	0.1
219.03014	0.1
219.06544	0.3
228.04272	0.1
229.04936	3.1
247.05983	0.6
257.04449	2.1
274.04630	0.5
281.57236	0.1
285.03931	1.0
303.04971	100.0
304.05301	2.6
345.05881	0.2
374.22797	0.1
447.08783	0.1
465.10190	0.7
524.93890	0.1
538.45001	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.6
55.01873	1.5
56.96556	0.8
57.03432	0.5
65.03942	0.8
67.01897	0.5
67.05476	0.8
68.99781	5.6
69.03417	0.8
71.02309	0.4
71.52131	0.9
73.02915	0.4
79.05492	0.5
81.03403	4.0
85.02891	1.9
86.09739	0.5
91.05457	0.5
93.03412	0.5
95.04960	1.3
97.02901	0.9
98.97576	0.7
99.04482	1.1
105.03365	1.2
107.04954	0.8
109.02873	3.5
111.00787	6.8
111.04459	1.2
115.05460	0.4
116.98591	0.8
119.04944	1.8
119.77441	0.4
121.02859	1.7
123.04414	14.2
125.02368	0.9
127.03904	100.0
128.04268	1.0
131.04964	0.6
133.02864	2.5
135.04427	3.8
137.02377	0.6
137.05948	1.0
139.03888	77.0
140.04216	0.9
147.04405	7.5
149.02322	2.3
149.05981	0.5
151.03889	27.6
153.01785	3.4
155.03368	0.9
157.06493	1.1
159.04419	1.2
161.02322	0.6
161.05963	1.2
163.03885	9.3
165.01825	0.6
165.05443	2.3
167.03358	4.4
167.04570	0.5
169.04939	1.8
169.06259	0.6
171.04411	1.0
173.05940	0.9
175.03886	13.5
177.00603	0.5
177.01987	0.5
177.05464	4.9
179.03380	37.8
180.03857	0.5
181.04959	3.7
183.04318	0.6
185.05995	1.1
187.03897	0.8
189.05441	2.9
191.03389	9.6
193.04927	3.1
195.06444	0.8
197.05928	1.4
199.03888	2.0
201.05447	4.0
203.03372	19.2
205.04909	2.4
213.05447	3.6
215.03377	1.2
217.04953	4.6
219.01656	0.5
219.06578	1.1
221.04837	0.8
223.02385	0.5
227.03336	0.5
229.04941	5.1
231.06551	2.9
233.04431	5.1
237.02820	1.0
237.05249	0.4
241.04994	2.7
243.06395	0.7
245.04468	10.4
247.05992	1.8
251.05473	2.2
253.04849	0.6
255.06519	0.5
257.04425	10.6
258.05164	0.7
259.02283	0.7
259.05984	4.0
263.05493	16.0
268.06412	0.5
269.04468	3.5
271.05966	3.2
275.05466	14.5
277.03552	1.0
277.06842	0.5
287.05475	39.4
288.05859	0.9
289.03937	0.6
289.06955	2.7
299.05463	15.4
299.08002	0.6
303.04974	1.5
305.06512	10.5
307.04651	0.7
307.08066	8.5
311.05322	1.0
313.07434	0.6
317.06522	12.7
319.08133	0.9
391.08234	0.5
407.07648	2.2
425.08655	15.7
426.08804	0.7
437.08868	0.6
443.09683	8.3
446.60489	0.4
455.09586	0.8
467.09390	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72415	0.4
55.01879	1.3
65.03950	1.1
66.21742	0.5
67.01875	0.4
67.05516	0.9
68.99780	6.0
71.35897	0.9
77.03951	0.7
81.03400	2.8
85.02901	0.6
91.05436	0.7
95.04955	1.2
97.29420	0.4
99.04426	0.7
105.03381	1.0
107.04911	1.0
109.02852	2.9
111.00784	7.2
111.04439	1.6
117.07001	0.5
119.04961	1.1
121.02884	1.3
123.04414	12.4
125.02393	0.5
127.03902	100.0
128.04248	0.7
131.04865	0.7
133.02855	2.7
135.04391	3.4
137.02362	0.6
139.03883	99.5
140.04189	1.1
147.04390	7.4
149.02316	1.9
149.05991	0.8
151.03885	28.3
151.16432	0.5
153.01805	1.6
153.05446	0.7
155.03386	1.7
157.06485	1.0
159.04370	1.5
161.02284	0.9
161.05940	1.6
163.03877	9.0
165.05450	2.5
167.03412	3.6
169.04921	2.0
171.04388	1.0
173.05997	1.1
175.03886	12.1
177.05455	5.0
179.03371	38.6
181.04980	4.1
183.04503	0.6
185.05933	1.7
187.03880	1.3
189.05432	4.0
191.03372	9.8
193.04967	3.6
195.06563	1.0
197.05995	1.1
199.03909	2.2
201.05441	4.7
203.03365	20.4
205.04927	2.3
211.03880	0.5
213.05460	4.9
215.03299	0.9
217.04955	4.7
219.06540	0.8
221.04317	0.9
225.05415	0.7
227.03333	1.1
229.04935	5.5
231.06451	2.0
233.04446	6.4
241.04955	2.6
243.06445	0.8
245.04402	11.7
247.05920	1.6
251.05464	1.2
253.04910	0.8
257.04434	12.4
258.05179	0.6
259.05942	3.3
263.05469	19.0
269.04510	3.8
271.06009	3.3
273.03931	0.6
275.05460	14.5
277.80661	0.6
281.04489	1.0
287.05466	39.8
288.05795	1.0
289.06879	3.5
299.05469	18.2
300.06079	0.6
301.06931	0.6
303.04947	0.9
305.06488	10.7
307.08084	12.5
311.05359	1.1
317.06522	15.9
319.08035	0.9
329.06473	0.7
394.90619	0.5
407.07419	1.4
425.08643	21.5
437.08847	0.5
443.09702	14.9
449.08157	0.8
455.09262	0.7
467.09546	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56172	0.5
53.00311	0.6
53.03935	0.6
55.01880	1.4
65.03950	1.4
67.01871	0.7
67.05495	0.7
68.25032	0.4
68.99783	6.8
69.00111	0.7
69.03436	0.6
71.21255	0.7
71.21594	0.6
71.79443	0.5
72.38522	0.5
77.03951	0.4
81.03413	2.9
83.05001	0.6
85.02907	1.5
87.16446	0.5
93.03397	0.9
95.04971	1.6
96.23543	0.5
97.02844	0.7
98.48895	0.6
99.04460	1.3
105.03393	0.5
107.04958	1.9
109.02868	3.9
111.00803	6.9
111.04435	2.1
115.05463	0.5
119.04948	1.6
120.08069	0.7
121.02847	2.0
123.04426	15.9
127.03909	89.7
128.04272	1.3
131.04913	1.3
133.02852	2.8
135.04428	3.9
137.02325	0.6
139.03891	100.0
140.04234	1.2
145.02872	0.5
145.06442	1.1
147.04395	7.6
149.02316	2.0
149.05960	1.0
150.03136	0.8
151.03891	27.4
153.01790	2.1
153.05431	0.6
155.03363	1.8
157.06479	1.1
159.04391	1.3
161.02411	0.7
161.05940	1.7
163.03897	10.6
165.05496	3.0
166.08708	0.5
167.03394	4.0
169.05072	1.0
169.06383	0.6
171.04416	1.4
173.05951	1.5
175.03909	12.0
177.01758	0.8
177.05463	5.1
179.03386	32.9
181.04941	3.8
183.04471	0.7
185.05931	1.7
187.03841	0.9
189.05392	3.8
191.03355	10.2
193.04948	4.7
195.06464	1.1
197.05965	0.7
199.03989	2.4
201.05420	5.0
203.03377	17.8
204.03871	0.8
205.05000	2.4
211.04013	0.7
211.12965	0.5
213.05453	5.9
215.03363	1.1
217.04930	3.8
219.06544	0.6
223.02283	1.1
223.05916	0.5
225.05402	1.0
227.03285	0.9
229.04970	5.3
231.06541	3.3
233.04408	5.1
241.04906	2.4
243.06384	1.0
245.02147	0.8
245.04463	12.0
247.06084	2.7
251.05489	1.9
253.04985	1.5
257.04465	14.7
258.05072	1.0
259.06039	3.4
263.05502	17.9
269.04437	3.2
271.06024	4.6
273.03845	0.8
275.02609	1.0
275.05475	18.2
277.07117	0.8
281.04510	0.9
287.05481	40.1
288.05853	1.6
289.06973	4.0
299.05490	16.5
300.05835	1.2
301.06918	0.6
303.04861	1.8
305.06552	9.7
307.04718	0.6
307.08099	10.5
311.05222	0.8
317.06549	16.2
319.08124	0.8
323.05386	0.7
407.07352	2.0
408.07953	0.5
425.08627	19.2
426.08630	0.7
437.08536	0.8
443.09741	12.5
444.10104	0.7
449.08612	0.9
449.66806	0.6
467.09299	1.3
585.61206	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.5
55.01859	2.5
56.96542	1.8
57.03427	4.2
68.99782	7.9
69.03419	7.4
69.55190	7.7
69.55598	2.6
70.42262	1.3
71.04990	11.5
72.47476	1.4
73.02911	2.4
81.03398	7.1
85.02901	27.5
95.04961	2.6
97.02886	6.5
98.97575	5.1
99.04430	2.9
101.28130	1.2
107.04948	1.7
109.02878	4.8
111.00813	6.4
111.04428	1.7
116.98600	2.7
119.01888	2.4
119.04955	3.3
121.02913	1.7
123.04418	14.8
125.02258	1.6
127.03909	97.7
129.05472	2.8
133.02895	1.4
135.04395	5.3
137.02362	3.2
137.06020	2.2
139.03896	100.0
140.04219	1.9
143.01888	2.3
145.04956	4.5
146.99690	2.0
147.04388	11.8
149.01250	1.6
149.02310	2.8
151.03893	31.2
152.04219	1.3
153.01816	23.2
154.02179	2.8
155.03374	2.5
158.99681	2.2
161.02928	2.8
161.05948	1.4
163.03900	10.7
165.05463	2.2
167.03409	4.0
173.02917	3.0
174.98578	1.8
175.03874	11.5
177.00624	1.8
177.05479	5.6
179.03386	36.1
181.04996	3.9
185.02910	2.7
185.05978	2.3
187.03979	2.0
189.00667	1.7
189.05482	1.8
191.03412	10.4
193.04961	5.0
199.03976	2.3
200.04524	3.0
201.00447	2.0
201.05437	4.2
203.03386	16.0
205.05013	2.5
213.00027	7.4
213.05511	5.0
214.45554	1.4
217.04994	4.8
219.01802	3.0
229.04944	5.7
231.01067	1.7
231.03053	2.0
231.06622	3.8
233.04451	5.4
241.04929	2.7
244.99536	1.9
245.04581	17.1
247.05995	4.0
251.05460	2.2
253.04863	1.8
257.04379	15.7
258.04977	2.0
259.02597	1.8
259.06015	4.9
261.02975	2.3
263.00928	2.3
263.05536	16.6
269.02698	4.3
271.05991	2.4
272.06598	3.0
275.05475	17.1
277.03409	7.2
279.04004	1.6
281.07114	3.3
281.57178	1.6
283.06158	1.8
287.05484	65.7
289.07129	4.8
299.05469	14.5
303.01358	9.9
303.04895	53.1
305.06558	12.6
307.08185	12.4
311.05322	3.2
313.06998	1.6
317.06464	17.4
323.05545	2.5
324.06268	1.9
329.04831	2.1
338.07669	1.5
341.06561	6.2
353.06540	2.5
359.07224	2.4
389.07111	1.7
395.07541	2.9
403.01355	1.6
407.07651	2.7
425.08594	20.6
443.09854	12.9
449.10062	2.1
455.09518	1.9
465.10245	9.7
467.09824	3.0
473.10641	3.8
611.15845	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	611.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.3
53.03932	0.8
53.49955	0.2
55.01860	0.3
60.37508	0.2
64.02579	0.2
65.03926	1.8
69.03427	2.7
69.42984	0.2
69.73833	0.4
69.74243	0.7
70.06583	0.3
71.04987	0.9
81.03414	6.7
81.07060	0.4
83.15649	0.2
85.02899	0.9
91.05474	15.6
92.05804	0.2
95.08561	0.2
97.02885	1.6
99.04442	1.1
103.05450	0.5
105.07017	0.2
107.04955	0.4
109.02873	4.7
110.78001	0.2
119.04935	30.7
120.05206	0.2
123.04414	0.9
127.03902	1.6
131.04918	0.3
136.07578	1.1
137.05919	0.2
139.03885	0.6
142.28757	0.2
143.04890	0.2
145.02789	0.3
147.04399	100.0
148.04762	0.7
152.07028	0.3
153.01799	1.0
157.02879	0.4
161.05902	0.3
164.07071	0.9
165.05489	1.8
165.06769	0.3
167.07054	1.1
175.03876	0.9
177.05484	0.6
185.02303	0.6
187.03885	1.4
191.03375	0.6
193.08510	0.3
201.01823	0.5
203.03413	1.1
213.01804	1.0
215.03384	1.5
217.05087	0.2
219.02966	0.3
229.01288	0.3
230.02115	0.3
231.02869	5.9
241.01315	1.4
247.02322	0.6
255.06519	0.3
257.00919	0.5
259.02356	10.4
265.07074	0.4
275.01782	1.0
276.02679	1.9
277.03415	31.4
278.03738	0.2
287.13803	0.3
289.03171	0.3
291.08643	2.9
303.01331	6.6
303.04968	2.9
305.03058	0.3
309.09604	0.4
321.02374	0.6
331.00693	0.3
332.12039	0.2
362.60269	0.2
531.52747	0.2
611.10364	3.2
611.23962	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02414	0.2
53.03940	1.1
54.16179	0.2
55.01873	0.2
56.29249	0.2
59.17522	0.2
65.00671	0.2
65.01021	0.2
65.03938	1.6
69.03415	2.7
69.39868	0.8
69.40295	1.0
71.04982	0.6
73.25587	0.2
81.03412	7.3
85.02895	0.6
91.05473	14.2
97.02885	2.4
98.20860	0.4
98.75922	0.2
99.04431	1.2
103.05460	0.3
107.04915	0.3
109.02869	5.0
109.03584	0.3
119.04935	29.1
127.03904	1.5
131.04919	0.4
139.24222	0.2
147.04398	100.0
148.04750	0.9
152.34518	0.2
153.01831	0.4
157.02861	0.6
165.05467	0.8
175.03932	0.8
185.02315	0.4
187.03862	1.4
191.03415	0.3
201.01790	0.4
203.03383	1.2
213.01848	0.8
215.03333	0.9
229.01331	0.5
230.01999	0.2
231.02867	6.7
241.01347	1.1
241.05032	0.2
247.02423	0.7
249.04054	0.2
257.00897	0.5
259.02365	10.1
275.01917	0.7
276.02658	1.9
277.03415	33.3
278.03647	0.4
285.00305	0.2
287.05515	0.5
289.03421	0.3
291.08569	2.1
303.01331	7.4
303.13391	0.3
305.02792	0.4
321.02380	0.9
331.00723	0.2
343.09167	0.2
343.30688	0.2
361.02383	1.5
365.02292	0.2
379.03235	0.6
611.10529	5.3
611.24304	1.0
629.06287	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07978	3.1
52.81531	2.7
53.03939	6.6
55.01861	9.2
55.05507	17.8
57.03412	4.0
67.05497	51.6
69.07066	32.2
71.62001	4.1
79.05493	51.2
81.03410	4.6
81.07054	58.6
83.04997	6.5
83.08621	7.6
91.05473	56.6
93.07040	59.9
95.01325	11.6
95.04950	9.5
95.08606	42.6
97.06516	11.0
103.58243	3.0
105.07030	65.7
105.77359	3.1
107.04950	11.1
107.08590	22.1
109.06505	3.5
109.10148	13.5
111.08085	6.8
117.07006	11.4
119.08559	38.2
121.06489	3.6
121.10127	13.9
123.04406	4.3
123.08043	4.9
131.08540	30.7
133.10124	41.4
135.08084	3.6
135.11679	10.2
143.08591	5.1
145.10101	17.9
145.93564	3.4
147.11682	16.4
149.09613	8.9
157.10054	6.0
159.11688	14.0
161.13272	8.7
171.11670	4.4
173.13193	7.7
177.12775	4.5
179.14334	22.5
188.01311	3.3
204.59703	3.4
219.17458	12.4
221.92924	3.2
239.17810	4.7
243.21118	3.4
244.54863	3.2
257.18979	9.4
275.20053	99.3
293.20999	7.6
349.23734	4.2
580.92944	3.7
609.45087	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4509
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
52.79422	0.6
53.03935	1.5
55.01865	1.3
55.05259	1.2
55.05508	15.2
57.03448	3.5
57.07062	2.1
62.52478	0.7
65.03923	1.2
67.05499	22.6
69.07063	13.1
71.04983	1.5
71.08630	1.2
71.35237	1.4
73.26407	0.8
79.05488	14.0
81.07050	23.0
83.04990	1.7
83.08603	7.5
85.06539	1.9
90.05117	0.7
91.05467	12.8
93.07040	17.7
95.04975	2.7
95.08601	19.3
97.06534	1.3
97.10164	3.4
99.08106	0.9
105.07023	13.0
107.08588	10.8
109.06512	1.7
109.10152	8.4
111.08092	1.3
115.05482	1.0
117.07018	6.7
119.08566	13.5
121.10120	6.6
123.11713	2.6
125.09634	1.5
128.06224	2.5
129.06989	10.5
131.08554	12.5
133.10117	9.0
133.47878	0.7
135.11687	5.2
141.06982	6.2
142.07779	3.0
143.08554	16.3
145.10103	13.8
147.11673	5.7
149.13271	2.6
153.07010	1.6
154.07779	2.0
155.08549	11.8
156.09357	1.7
157.10115	14.2
159.11682	10.0
161.12091	0.8
161.13216	3.8
163.14885	1.1
165.06952	1.5
167.08575	6.2
168.09361	1.9
169.10123	15.2
171.11676	13.1
173.13242	5.7
175.14832	2.5
179.08646	2.3
180.09398	1.7
181.10112	7.7
182.10963	1.5
183.11682	16.3
185.13245	9.5
187.14867	3.6
189.16353	1.6
193.10098	3.6
194.10982	1.1
195.11696	10.2
197.13246	10.8
198.13838	0.9
199.14828	5.4
201.16434	2.0
207.11699	4.4
208.12477	1.0
209.13232	8.0
211.14825	6.5
213.14639	0.8
213.16476	4.2
215.17999	1.0
219.11676	0.9
221.13263	3.3
223.14914	5.6
225.16403	5.9
227.17979	3.2
235.14899	2.4
237.16318	4.6
239.17818	3.7
241.19591	3.0
249.16428	2.8
251.18019	3.2
253.19580	2.1
261.16333	1.0
265.19473	1.1
267.20984	1.1
269.19077	0.8
277.19269	0.8
279.21194	1.1
297.22073	1.0
309.22049	1.6
321.22107	1.2
323.23587	1.8
333.22110	1.3
337.25296	2.0
341.24811	1.0
347.23703	0.9
349.25314	1.2
351.22961	1.1
351.26755	2.5
363.27136	1.1
365.28522	1.4
367.26581	0.9
373.25235	0.9
383.83017	0.8
393.31931	0.8
421.30698	0.8
447.32315	1.1
461.33893	0.9
499.39410	2.3
517.40466	14.0
525.35730	1.1
535.41449	6.9
539.37592	1.0
555.42218	1.2
573.42877	2.9
591.44073	15.3
609.45087	100.0
610.45508	2.8
626.83020	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.451
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03928	0.9
53.08018	0.3
55.01868	1.2
55.05508	11.9
56.76064	0.3
57.03437	3.5
57.07067	1.8
59.04982	0.3
60.69292	0.4
65.03935	1.4
67.05502	21.1
67.40224	0.3
69.07066	9.5
69.46902	3.1
71.04973	0.7
71.08617	0.5
75.32526	0.3
79.05491	12.7
81.07051	19.5
83.04973	1.1
83.08611	5.8
85.06530	1.0
91.05473	10.9
93.07040	13.6
93.07627	0.7
95.04949	1.7
95.08602	17.5
97.06520	2.0
97.10151	2.9
99.08103	0.8
101.05946	0.3
103.05467	0.7
104.40002	0.3
105.07022	13.4
107.08591	10.0
109.06505	0.9
109.10144	7.0
111.08090	1.0
111.11742	0.4
113.09637	0.5
115.05461	1.0
117.07009	7.0
119.08568	11.3
121.06547	0.4
121.10134	6.0
123.08076	0.8
123.11709	2.1
125.09638	1.3
127.07557	0.3
128.06197	2.4
129.05539	0.4
129.06996	8.5
130.07765	0.5
131.08562	10.4
133.10118	8.8
133.11076	0.6
135.08046	0.5
135.11679	4.4
137.09557	0.3
137.13235	0.8
139.11147	0.5
141.06964	5.1
142.07820	2.1
143.08548	12.7
144.09428	0.6
145.10109	12.1
147.11671	5.1
149.09602	0.4
149.13226	2.2
153.07033	1.1
154.07800	1.1
155.08548	9.2
156.09328	1.1
157.10120	12.1
158.10857	0.5
159.11693	9.1
161.09714	0.5
161.13211	3.3
163.14853	1.1
165.06984	0.9
166.07791	0.6
167.08554	4.5
168.09306	1.7
169.10115	12.5
170.10913	0.7
171.11679	10.3
172.12169	0.3
173.13263	5.3
175.14838	1.3
177.16446	0.5
178.07777	0.5
179.08508	1.9
180.09344	0.8
181.10086	8.1
182.10881	1.3
183.11684	12.5
185.13249	7.2
187.14803	3.5
189.16409	1.1
193.10103	2.7
194.10982	1.0
195.11670	7.8
196.12448	1.0
197.13235	9.4
198.13878	0.4
199.14818	5.5
201.16280	1.8
205.10202	1.0
206.10828	0.5
207.11679	2.8
208.12440	0.5
209.13246	6.9
210.14049	0.5
211.14822	6.7
213.14685	0.4
213.16426	3.7
215.17973	0.8
217.19576	0.5
219.11739	0.7
220.12560	0.5
221.13266	2.8
222.13959	0.5
223.14815	5.2
223.16971	0.5
224.15390	0.4
225.16351	4.5
227.18056	3.5
229.19630	0.6
233.13239	0.8
235.14789	2.4
237.16362	4.3
239.17958	2.6
241.15762	0.5
241.19678	1.0
247.14703	0.9
249.16449	1.7
251.17953	2.5
253.19495	1.3
255.21451	0.5
257.18982	0.7
261.16443	0.8
263.18024	1.0
264.18567	0.6
265.19528	1.3
267.17456	0.4
267.21100	1.3
271.20639	0.5
275.20297	0.5
277.19556	0.9
279.21112	0.7
281.18915	0.6
281.22656	0.7
283.20499	1.0
285.22156	1.0
287.23740	0.4
293.22607	0.8
295.20575	0.9
297.22134	0.7
299.20197	0.5
299.23761	0.5
307.20483	0.7
309.22015	0.8
311.20306	0.5
311.23593	0.8
313.21744	0.6
313.25095	0.5
321.22055	0.8
323.23810	1.1
325.25348	0.7
333.21899	0.4
335.23746	1.3
337.21680	0.5
337.25421	1.3
339.23141	0.7
339.26810	0.7
341.24686	0.6
349.25299	1.2
351.26746	2.2
353.24731	0.8
361.25580	0.4
363.26736	1.0
365.28479	1.4
367.26160	0.6
369.27783	0.6
377.28308	0.7
379.26031	0.8
379.30133	1.1
381.27884	0.4
383.29608	0.5
391.30099	0.9
393.31671	0.9
395.29504	0.7
405.31821	0.6
407.28934	0.6
409.30884	0.5
411.29056	0.6
415.29718	0.4
417.31818	0.6
421.31021	0.6
423.32806	0.6
425.30588	0.6
431.33395	0.5
433.30615	0.4
434.17218	0.4
435.32391	0.6
447.32504	1.5
449.34171	1.0
461.33948	1.0
463.35507	0.4
475.35358	0.7
499.39618	1.4
501.35571	0.8
509.36172	0.5
515.29236	0.4
515.37897	0.7
517.40356	11.7
521.36597	0.8
525.35858	0.5
527.37134	0.5
535.41510	6.5
539.37799	1.8
541.38855	0.8
553.42450	0.8
555.41724	0.6
573.42975	1.8
591.44025	15.7
592.44653	0.5
609.45111	100.0
610.45465	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	609.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.4
55.01865	5.1
55.05261	1.6
55.05506	22.4
57.03436	8.7
57.07061	2.2
60.69483	1.0
61.02894	1.0
65.03930	3.0
67.05499	45.6
69.03433	15.8
69.07063	12.1
71.01337	2.7
71.04688	0.9
71.04994	9.3
71.59080	1.1
71.59470	1.3
73.02908	1.5
79.05489	38.1
81.03414	81.3
81.06572	2.1
81.07050	32.5
82.03751	1.3
83.04979	21.8
83.08612	13.4
85.02899	13.5
85.06546	3.4
91.05473	34.3
93.07038	41.2
95.04965	22.3
95.08600	12.0
97.02894	15.2
97.06522	8.9
97.10159	9.7
99.04463	6.8
99.08066	2.3
105.07027	20.6
107.04945	9.3
107.08593	23.6
109.02879	15.2
109.06507	6.2
109.10168	7.9
111.04440	12.3
111.08089	7.3
113.06010	1.5
115.05482	2.3
117.07021	7.8
119.04955	1.9
119.08572	15.1
121.06489	3.9
121.10128	11.3
123.04386	4.9
123.08041	2.7
123.11698	2.2
125.09633	4.2
127.03907	8.6
129.05504	1.5
129.06985	7.7
130.07758	1.3
131.04918	1.7
131.08572	10.3
133.06502	3.2
133.10126	9.1
135.04387	1.2
135.08047	1.6
135.11696	28.2
137.09633	2.9
139.03882	1.6
143.08568	3.5
145.06490	2.1
145.10124	10.0
147.04407	2.3
147.08038	3.4
147.11681	10.8
149.05968	1.4
149.09644	3.9
149.13258	1.5
151.03853	1.8
151.11157	2.2
153.06961	0.9
153.12746	3.7
155.08568	1.5
157.06505	2.2
157.10130	7.7
159.08063	2.1
159.11635	1.2
161.05991	1.8
161.09660	1.8
161.13275	1.0
163.11182	11.8
165.12793	2.7
167.07063	7.0
167.08478	1.8
173.04478	1.4
173.09648	2.0
175.11192	7.4
181.12206	10.7
183.06403	1.4
185.13254	1.7
187.11153	2.3
188.08362	3.4
189.09113	1.9
189.11104	1.5
189.12740	1.5
191.07080	1.3
191.10652	3.6
193.10448	1.4
193.12227	25.7
199.13245	2.4
207.02841	1.8
211.13263	43.8
212.13751	1.1
213.12799	1.9
221.15327	1.3
227.12761	6.9
249.14851	1.4
253.14436	2.5
255.15894	11.6
261.14716	1.4
267.15839	6.2
273.15039	1.3
283.15378	2.9
285.16940	3.4
289.14352	1.2
297.16928	1.5
301.14325	2.0
307.15363	1.2
319.15323	1.2
325.16513	1.9
337.16434	3.4
355.17535	7.5
355.22070	1.8
357.09995	2.0
363.17914	2.4
381.19098	2.8
411.20084	6.0
421.25900	1.7
429.26254	2.3
447.27399	15.0
465.28442	16.9
467.28644	1.2
470.38254	1.1
481.28479	1.3
555.29382	1.2
573.30145	1.5
577.20325	1.8
591.31531	8.8
609.32642	100.0
610.33154	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71692	0.2
55.05492	0.3
65.51907	0.2
67.05544	0.2
69.03428	0.6
70.06593	0.3
71.04967	0.3
72.00664	0.2
81.03414	0.6
81.07052	0.5
85.02905	0.6
91.05436	0.4
95.04957	0.2
95.08577	0.3
97.02904	0.3
105.07023	0.4
107.08584	0.4
109.02901	0.3
109.10148	0.3
110.41445	0.2
119.04939	0.2
119.08573	0.4
121.10150	0.3
123.04427	0.7
127.03928	0.3
133.10187	0.2
135.11873	0.2
139.03902	0.4
147.04416	0.4
147.11624	0.3
153.01811	1.1
161.05980	0.3
161.13271	0.2
176.04512	0.3
177.05440	0.4
181.04996	0.3
189.05318	0.2
194.29178	0.2
271.03107	0.2
301.07095	2.0
332.78891	0.2
344.86118	0.2
363.12122	0.9
365.13632	0.3
367.11316	1.1
379.11523	1.4
381.13068	1.0
382.13855	2.6
383.14676	0.6
394.13885	2.3
395.14566	0.3
397.12540	3.8
397.84219	0.2
398.12946	0.3
411.14209	0.9
412.14862	6.2
413.15570	0.7
414.26013	0.2
425.15259	0.2
520.96136	0.3
561.21313	0.3
579.22595	0.5
609.23010	100.0
610.23401	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.0
55.05486	4.7
56.05023	2.2
57.03422	2.5
57.07063	1.4
67.05501	15.9
69.03403	5.3
69.07044	6.6
70.06582	2.2
71.04974	4.2
71.61279	2.1
79.05477	17.2
80.04984	1.9
80.25422	1.5
81.03401	7.3
81.05787	1.4
81.07048	19.7
82.06573	3.7
83.04978	2.7
83.08588	4.6
85.02925	3.5
85.06524	2.2
87.04430	2.7
91.05450	8.3
93.07038	24.7
94.06548	17.6
95.04935	6.0
95.08594	32.5
96.08109	3.4
97.02904	2.4
97.06520	7.4
97.10162	2.3
105.07015	14.4
107.05979	1.5
109.10145	6.8
110.09651	10.6
111.08080	12.3
117.07016	2.0
119.08561	2.9
120.28207	1.3
121.10104	2.3
121.41466	1.5
122.09660	33.4
122.42799	1.4
123.04437	3.7
123.07180	2.5
123.08051	31.0
123.11720	2.7
125.13141	1.5
127.03841	1.6
128.10703	26.4
131.04880	1.6
133.10071	3.0
135.11653	1.9
140.10690	100.0
141.09100	19.5
147.04422	2.5
153.01787	2.2
158.11755	6.0
270.24326	7.5
288.25278	10.0
314.26904	2.8
380.31424	4.3
392.31650	4.1
410.32654	39.7
428.33685	91.8
429.33923	2.1
466.01050	1.6
577.19434	1.7
608.34424	6.3
609.33490	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	608.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.0
55.05486	4.7
56.05023	2.2
57.03422	2.5
57.07063	1.4
67.05501	15.9
69.03403	5.3
69.07044	6.6
70.06582	2.2
71.04974	4.2
71.61279	2.1
79.05477	17.2
80.04984	1.9
80.25422	1.5
81.03401	7.3
81.05787	1.4
81.07048	19.7
82.06573	3.7
83.04978	2.7
83.08588	4.6
85.02925	3.5
85.06524	2.2
87.04430	2.7
91.05450	8.3
93.07038	24.7
94.06548	17.6
95.04935	6.0
95.08594	32.5
96.08109	3.4
97.02904	2.4
97.06520	7.4
97.10162	2.3
105.07015	14.4
107.05979	1.5
109.10145	6.8
110.09651	10.6
111.08080	12.3
117.07016	2.0
119.08561	2.9
120.28207	1.3
121.10104	2.3
121.41466	1.5
122.09660	33.4
122.42799	1.4
123.04437	3.7
123.07180	2.5
123.08051	31.0
123.11720	2.7
125.13141	1.5
127.03841	1.6
128.10703	26.4
131.04880	1.6
133.10071	3.0
135.11653	1.9
140.10690	100.0
141.09100	19.5
147.04422	2.5
153.01787	2.2
158.11755	6.0
270.24326	7.5
288.25278	10.0
314.26904	2.8
380.31424	4.3
392.31650	4.1
410.32654	39.7
428.33685	91.8
429.33923	2.1
466.01050	1.6
577.19434	1.7
608.34424	6.3
609.33490	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	607.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.7
55.01853	4.3
55.05509	16.1
55.53801	1.0
57.03440	5.8
65.03931	3.3
67.05499	46.5
69.03425	12.6
69.07063	19.8
71.01367	1.4
71.05000	6.1
71.59721	1.7
73.02926	1.1
79.05486	32.6
81.02912	1.6
81.03410	48.0
81.07052	67.1
83.04974	10.5
83.08614	11.7
85.02884	5.4
85.06524	3.2
91.05474	25.3
93.07037	46.7
95.04965	11.9
95.08595	21.5
95.09168	1.9
97.02892	9.5
97.06534	9.8
97.10155	2.0
99.04453	3.6
99.08088	2.3
105.07031	15.9
107.04939	3.2
107.08583	26.3
107.09292	1.6
108.63303	1.0
109.02880	11.2
109.06493	4.8
109.10159	3.9
111.04402	5.1
111.08092	4.0
111.11757	1.1
114.21196	0.9
115.05489	1.2
117.07012	8.7
119.08569	8.3
121.06514	4.2
121.10129	13.0
123.04395	1.1
123.08112	1.8
123.11710	4.6
125.09700	1.4
127.03936	7.2
129.05434	1.1
129.07027	2.4
131.08549	11.3
133.06480	1.8
133.10141	8.9
135.08101	3.5
135.11687	6.7
136.06215	3.2
143.08571	3.1
145.06482	1.6
145.10136	3.5
147.11668	9.8
149.13254	18.7
157.10150	1.9
159.08139	1.9
159.11694	9.0
165.12796	3.3
169.10181	1.1
171.11661	1.1
173.13258	1.8
175.07532	1.1
175.11215	1.2
177.12682	5.5
195.13791	15.3
211.14786	1.1
213.14900	3.7
257.15649	1.2
261.14566	1.1
267.15985	3.0
269.17508	11.5
275.16467	1.8
285.14832	1.6
289.53558	1.1
302.88428	1.0
303.15970	3.3
321.17038	4.3
339.18045	11.5
348.07178	1.3
377.19504	3.6
395.20709	10.7
463.30490	11.5
571.32623	2.3
589.33759	4.5
607.34766	100.0
608.35065	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	607.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.8
55.01868	2.3
55.05506	15.3
57.03428	5.6
57.07061	1.4
65.03948	2.3
67.05502	46.8
69.03426	12.2
69.07070	15.9
71.01331	1.7
71.04990	6.1
71.59273	1.6
71.59633	1.5
76.70013	1.3
79.05490	30.3
81.03417	48.3
81.07052	59.6
83.04971	11.2
83.08614	10.2
85.02908	7.5
85.06549	3.3
87.04427	1.2
91.05469	24.8
93.07041	40.6
95.04969	9.8
95.08595	20.5
97.02885	9.0
97.06515	9.3
97.10136	1.5
99.04456	4.0
99.08118	2.5
105.07011	17.9
107.04957	3.9
107.08582	25.3
109.02852	7.9
109.06522	4.6
109.10173	6.6
111.04444	7.0
111.08102	6.3
115.05474	2.0
117.07027	10.0
119.04991	1.4
119.08586	10.0
120.85706	1.3
121.06486	3.3
121.10128	12.8
123.04453	3.0
123.11720	5.0
125.09629	1.4
127.03923	7.3
129.07024	4.1
131.08551	10.1
133.06482	1.6
133.10115	9.9
135.04445	1.4
135.08070	2.1
135.11682	5.9
137.09680	1.2
139.11137	1.6
143.08578	3.7
145.10114	2.8
147.04430	2.7
147.11685	9.2
149.05971	1.5
149.09575	2.7
149.13243	14.4
155.08672	1.9
157.10141	3.6
159.08073	1.4
159.11649	10.4
161.05971	1.3
161.09602	1.5
161.13251	1.7
163.03917	1.3
163.11214	1.4
165.12779	3.9
167.07109	2.5
169.10095	2.2
171.11792	1.7
173.04451	3.1
177.12729	7.2
184.07410	3.7
195.13803	10.6
213.14815	2.8
214.98705	1.2
216.32631	1.2
239.14297	1.7
249.14967	1.3
261.14813	1.8
267.16000	3.4
269.17560	10.2
285.17117	1.3
303.15958	2.7
321.17050	3.7
339.18118	8.7
377.19797	2.9
395.20709	8.4
445.29578	6.4
463.30435	12.3
480.59445	1.5
571.33429	1.6
586.71320	1.5
589.33209	5.2
607.34747	100.0
608.35199	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	607.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62889	2.2
53.03940	5.2
55.01855	4.5
55.05502	19.3
55.99527	1.9
57.03419	3.0
65.03932	3.0
67.05501	54.0
69.03425	13.7
69.07072	17.8
70.93601	3.0
70.93951	5.2
71.04975	6.3
79.05489	33.6
81.03409	54.1
81.07052	71.6
83.04971	11.1
83.08628	11.4
85.02885	6.3
85.06566	2.5
91.05468	32.8
93.07042	45.3
95.04946	12.7
95.08604	23.9
97.02877	6.9
97.06523	9.2
99.04469	4.1
105.07024	16.4
107.04929	5.5
107.08594	28.0
109.02885	13.3
109.06537	6.5
109.10150	3.6
111.04446	8.3
111.08077	4.2
117.07014	9.7
119.08595	9.2
121.06522	2.6
121.10133	13.1
123.11716	5.5
127.03919	7.1
129.06990	3.6
131.08560	13.5
133.06485	2.4
133.10149	10.2
135.08080	3.7
135.11687	7.8
145.10141	2.9
147.11700	6.4
149.09621	3.1
149.13242	20.6
157.10129	4.0
159.11720	9.1
173.04565	2.1
175.11304	2.4
177.12784	6.0
183.06573	2.7
185.13309	2.5
195.13744	17.5
213.14786	5.2
228.63707	2.3
267.15900	4.0
269.17520	10.3
269.37885	2.4
303.15829	3.2
321.16827	5.2
339.18130	10.1
377.19562	3.5
395.20651	15.6
463.30554	10.8
479.30099	2.4
589.33618	5.6
607.34729	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.3
53.03943	5.9
55.01865	3.6
55.05507	17.7
57.03430	5.5
57.07070	1.4
65.03928	3.2
67.05499	54.4
67.29794	0.7
69.03423	12.8
69.07063	18.6
69.93058	4.0
71.01344	1.4
71.04993	6.7
79.05487	38.5
81.03412	46.5
81.07049	75.0
82.07337	0.8
83.01354	0.8
83.04971	12.2
83.08609	11.1
85.02888	4.1
85.06524	4.8
91.04891	1.1
91.05470	29.5
93.07034	46.5
95.04963	10.4
95.08595	19.0
97.02890	9.4
97.06518	10.0
97.10165	1.5
99.04444	3.5
99.08096	2.3
103.03918	0.9
105.07024	14.8
107.04939	2.6
107.08582	25.8
107.09286	1.6
109.02877	9.0
109.06498	4.8
109.10177	3.7
111.04442	8.6
111.08083	5.3
113.09670	1.0
115.05422	1.4
117.07012	10.7
119.08585	7.5
121.06499	3.0
121.10136	15.5
121.11015	1.1
123.04427	0.8
123.08091	1.5
123.11698	3.8
125.06003	0.8
125.09605	0.8
127.03901	7.7
128.06200	0.9
129.06973	1.6
131.08563	10.5
133.06454	1.0
133.10109	10.4
135.08076	2.2
135.11693	7.4
136.06184	2.4
137.05998	0.9
137.29939	0.7
139.11192	1.0
145.06540	1.1
145.10172	1.9
147.08026	1.0
147.11687	7.2
149.09613	1.6
149.13243	21.0
151.11198	1.6
155.08524	1.2
157.10165	2.5
159.08064	1.9
159.11685	11.4
161.09540	1.1
165.12769	3.1
167.14418	1.2
169.10207	0.8
171.11665	0.9
173.04437	1.2
173.13284	1.2
175.11244	1.3
177.12746	8.3
183.06573	1.8
183.11639	0.7
193.12274	0.8
195.13792	18.8
203.14442	0.8
213.12968	1.1
213.14764	4.0
229.14325	1.7
233.15376	1.1
249.14891	1.0
251.16508	0.8
253.17943	1.0
261.15024	1.2
267.15881	3.8
269.17444	11.6
275.16409	2.2
285.14703	1.3
297.16965	1.3
303.15924	3.3
321.16956	4.5
339.18036	13.4
348.06827	1.1
377.19415	3.7
395.20609	12.6
463.30557	12.3
529.31915	0.9
533.31122	1.1
583.59900	0.9
589.34009	3.0
607.34705	100.0
608.34662	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	607.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.3
55.01863	4.2
55.05505	20.0
57.03436	5.8
57.07056	1.6
59.03437	0.7
61.02921	0.8
64.81664	0.7
65.03935	3.1
66.04717	0.7
67.05499	57.8
69.03425	13.4
69.07060	23.2
69.07335	0.4
70.87194	2.4
71.01355	1.1
71.04974	5.6
73.02907	1.1
78.21735	0.6
79.05488	38.3
81.03412	58.7
81.07050	78.7
83.01341	1.1
83.04969	12.2
83.08610	15.6
85.02892	5.9
85.06535	3.7
87.04459	1.4
89.06017	3.5
90.06338	1.1
91.05471	31.7
93.07034	52.2
95.04958	12.7
95.08597	21.2
97.02885	10.2
97.06522	11.3
97.10127	0.8
99.04447	4.8
99.08092	3.2
103.05432	1.2
103.80995	0.7
105.07024	16.5
107.04934	4.2
107.07857	1.5
107.08586	28.5
109.02861	8.6
109.06496	4.4
109.10145	4.5
111.04436	8.7
111.08062	5.4
115.05470	1.0
117.07007	12.1
119.04949	0.7
119.08584	8.7
121.06494	4.7
121.10135	12.7
123.04369	1.0
123.08108	2.1
123.11699	4.4
125.06090	0.7
125.09637	1.2
127.03897	7.2
129.05446	1.0
129.06995	3.3
131.04932	2.1
131.08562	12.8
131.66502	0.7
133.06514	2.6
133.08615	2.2
133.10110	11.7
135.08075	3.0
135.11684	7.4
137.05959	1.1
139.07526	0.8
139.11195	1.1
141.07018	1.3
143.08551	2.2
145.06485	0.8
145.10103	2.1
147.08020	3.6
147.11670	9.5
149.09610	1.8
149.13248	20.7
151.11188	1.9
155.08542	1.8
157.10136	2.8
159.08061	0.9
159.11684	12.5
161.13237	1.6
163.11128	1.0
165.12776	3.3
167.14331	1.0
169.10153	1.1
171.07991	1.2
171.11723	1.3
173.04495	1.8
173.09569	0.9
173.13245	1.1
175.11214	1.8
177.08937	0.7
177.11333	1.1
177.12703	6.2
183.06506	2.5
183.11655	0.8
195.13789	17.0
201.12764	1.3
203.14348	1.0
213.14804	4.2
215.14336	0.8
217.49553	0.7
219.13815	1.4
229.14250	0.9
231.13754	0.9
233.15355	1.6
251.16318	1.0
257.15250	1.5
261.14883	1.6
267.15878	4.7
269.17471	9.9
275.16586	1.3
285.14682	1.4
289.21997	0.8
297.17108	2.0
303.15967	2.4
321.16977	4.2
339.18082	10.8
353.19406	0.9
353.24371	0.9
377.19388	3.7
395.20639	12.4
445.29581	2.9
463.30551	10.2
479.29648	1.3
529.31537	1.0
533.31250	1.4
571.32477	1.6
589.34027	3.2
607.34717	100.0
608.34949	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.4
55.01869	4.8
55.05506	18.6
57.03437	5.3
57.07066	1.8
59.05006	1.1
63.71636	0.8
65.03927	2.2
67.05502	58.0
69.03422	16.2
69.07062	21.4
71.01351	1.2
71.04990	7.3
71.08623	0.9
79.05486	40.8
80.12834	0.8
81.03413	56.3
81.07050	80.1
83.04971	13.2
83.08609	13.8
85.02908	6.7
85.06540	4.3
87.04467	3.6
89.06026	9.4
90.06356	1.4
91.05478	31.4
93.07040	50.1
95.04965	11.6
95.08601	24.4
97.02885	9.1
97.06525	9.7
97.10172	1.6
98.20765	1.6
99.04459	4.5
99.08094	2.2
103.05487	1.6
105.07025	19.0
107.04942	5.4
107.08588	25.7
109.02872	11.0
109.06505	5.5
109.10128	4.5
111.04440	7.4
111.08067	4.9
113.05987	1.0
115.05430	1.0
117.07008	11.8
119.04906	1.5
119.08567	9.5
121.06521	6.3
121.10139	15.6
123.08104	2.7
123.11710	4.7
125.09663	1.1
127.03924	7.5
128.06174	0.9
129.05472	1.2
129.06992	4.1
131.04955	1.4
131.08554	14.0
133.06500	3.7
133.08595	5.8
133.10117	11.9
135.08067	3.3
135.11711	7.7
137.06020	1.7
137.09596	1.2
141.07016	1.4
142.07722	1.2
143.08540	2.5
145.06490	3.0
145.10098	4.3
147.08076	4.2
147.11687	9.0
149.09639	1.7
149.13242	18.3
151.11192	1.7
155.08551	1.8
155.55095	0.8
157.10139	3.2
159.08057	1.4
159.11687	14.2
161.09636	3.6
161.13246	1.2
162.09975	0.8
163.11168	1.6
165.12787	3.6
167.08549	1.0
171.08054	1.1
171.11684	2.0
173.04478	2.5
173.05939	1.4
173.09631	1.5
173.13310	1.0
175.11177	2.1
177.11273	1.2
177.12677	6.8
181.10123	1.5
183.06560	2.8
183.11719	1.9
187.14699	1.2
191.14433	0.9
193.12326	1.4
195.13795	17.1
201.12714	1.8
213.12903	0.9
213.14778	4.3
219.13823	0.9
229.14256	0.8
229.77335	0.9
233.15353	1.6
247.16589	0.7
249.14879	1.4
251.16479	1.5
253.18074	1.0
257.15448	1.6
261.14944	1.4
267.15936	4.3
269.17441	12.0
275.16431	2.5
275.19965	1.3
285.17194	1.0
289.21658	2.0
290.22003	1.5
293.17590	0.9
297.16891	1.7
303.15970	3.7
305.17682	1.0
311.18573	1.2
321.16989	5.8
339.17996	12.6
353.24637	0.9
371.25748	1.1
377.19577	3.2
395.20697	15.9
445.29495	4.8
463.30606	10.7
464.31076	0.9
533.30908	0.8
571.32629	2.4
589.33344	5.6
607.34729	100.0
608.34991	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2906
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
56.04411	0.5
60.45000	0.5
66.63139	0.5
70.03115	2.4
78.68497	0.5
93.70195	0.5
98.20815	0.8
114.20039	0.5
121.29817	0.6
125.94307	0.6
148.64073	0.5
189.37666	0.5
248.67157	0.5
372.91965	0.6
403.19086	1.4
404.19839	0.5
405.20731	0.8
416.19714	0.6
417.20938	2.3
418.21396	0.8
419.22516	1.6
431.17987	3.6
431.23785	0.8
432.19339	0.9
433.24185	3.3
444.19446	0.6
445.19824	4.3
446.21143	1.7
447.21982	2.2
459.21701	2.2
460.22473	4.5
461.23230	4.4
473.23358	0.8
505.22067	0.9
519.23755	0.9
547.27063	13.1
603.31183	0.8
607.29108	100.0
608.29321	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07588	0.4
71.32976	0.5
71.33304	0.4
73.73842	0.4
91.26756	0.4
322.81146	0.4
389.17679	1.2
390.18793	0.5
401.18024	0.8
402.18268	1.2
403.19174	3.4
404.19806	1.4
405.20853	1.2
415.19629	0.7
416.20001	1.4
417.16232	0.8
417.21338	4.2
418.21783	2.3
419.22360	3.6
429.17096	0.6
430.17557	1.0
430.22473	0.6
431.18073	7.3
432.19290	1.5
432.23978	0.8
433.19171	0.5
433.24048	7.7
434.24490	1.1
444.19061	0.8
445.02786	0.5
445.19730	10.4
446.20599	3.7
447.21548	3.2
459.21295	3.4
460.22488	9.6
461.23318	10.1
473.23593	3.2
474.24347	0.9
487.24854	0.9
505.22394	1.5
519.27686	1.2
532.24371	0.5
547.27014	33.4
548.27289	1.6
575.26135	0.6
579.29291	0.8
607.29083	100.0
608.29504	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	607.2547
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
52.83120	0.1
52.99014	0.2
59.41382	0.1
59.53876	0.1
67.05507	0.3
74.18710	0.2
81.07036	0.2
93.07040	0.2
94.39199	0.2
96.58183	0.1
98.21552	0.2
120.08102	0.2
120.50018	0.2
144.08139	0.2
170.31221	0.2
172.03955	0.2
196.09918	0.2
209.10832	0.3
211.12289	0.2
221.10658	0.2
223.12402	0.3
223.76958	0.1
225.10248	0.2
237.10138	0.2
237.13676	0.2
247.12268	0.3
249.10347	0.2
272.44284	0.2
300.14563	0.2
310.13266	0.2
312.14865	0.2
326.12891	0.2
373.14655	0.2
374.15207	0.3
375.16003	0.6
376.17200	0.3
386.16312	0.3
387.16302	0.4
388.17007	0.6
389.17642	2.1
390.18344	0.9
391.19360	1.1
401.13327	0.2
401.17819	0.6
402.13965	0.3
402.18915	0.9
403.15497	0.5
403.19537	3.4
404.20157	1.4
405.20792	3.1
406.21494	0.2
407.22119	0.3
415.15030	0.3
415.19415	0.5
416.15533	1.2
416.20572	0.5
417.16180	3.6
417.21149	1.9
418.17761	0.9
418.21808	0.7
419.22470	5.8
420.22943	0.9
429.16772	0.4
430.17902	0.6
431.18298	7.5
432.19006	3.0
433.20029	3.7
434.20837	0.3
435.21768	0.3
441.17191	0.2
442.17142	0.3
443.18878	0.5
444.19452	0.4
445.20221	5.1
446.20953	7.7
447.21701	8.0
448.23111	0.4
449.19534	0.2
458.20935	0.3
459.17346	0.8
459.21835	1.9
460.19025	0.7
461.19495	1.5
462.24164	0.7
463.24988	0.7
473.19751	1.1
474.20422	5.1
475.20984	4.3
476.21921	0.5
477.23633	0.7
478.23642	1.0
479.24673	0.2
487.21536	1.8
488.22006	0.6
489.22974	0.2
490.23407	0.5
491.20032	2.6
501.23050	1.3
504.21631	0.4
505.22235	0.9
506.23184	0.5
507.24030	0.2
517.22083	0.2
518.23236	0.2
519.24084	17.4
520.24384	0.5
529.22516	0.3
532.21143	0.3
547.23370	14.5
548.24023	0.5
550.22650	0.2
551.26617	0.5
561.24933	0.4
575.23004	0.3
579.25989	5.6
589.24573	0.3
607.25476	100.0
608.25812	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	605.332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.3
50.88547	0.2
51.02376	0.8
52.14807	0.2
53.03936	1.5
55.01867	0.7
55.05263	0.3
55.05509	4.1
57.03414	0.4
57.07071	1.7
59.31063	0.2
67.05502	5.0
69.03429	2.9
69.07064	7.4
70.06578	0.5
71.01369	0.3
71.04986	1.2
71.08614	0.7
71.59547	0.4
79.01849	3.6
79.05489	2.8
81.03414	9.2
81.07054	12.6
82.07349	0.3
83.04964	0.6
83.08612	3.3
85.02891	2.0
85.06522	0.9
85.07670	0.3
91.05475	2.6
93.07039	4.9
93.13866	0.2
95.04956	1.8
95.08601	10.7
97.02883	3.6
97.06506	0.8
97.10154	2.2
99.04443	2.3
99.08092	0.8
103.05487	0.4
105.07029	3.6
107.01321	1.4
107.04939	0.4
107.08586	4.1
109.02877	5.7
109.06499	0.9
109.10150	6.6
111.04415	1.3
111.08083	0.3
111.11699	1.8
117.07000	0.7
117.88750	0.2
119.04966	0.3
119.08572	2.3
121.06483	0.6
121.10139	2.9
123.04440	1.4
123.08052	0.7
123.11710	3.1
125.02335	3.6
125.09689	0.4
127.02957	0.4
127.03908	9.0
129.06979	0.4
131.08569	1.0
133.06477	0.5
133.10127	2.0
135.08060	0.6
135.11688	1.7
137.05981	0.5
137.09570	0.8
137.13249	1.5
139.03876	0.6
141.07028	0.3
143.03384	6.8
143.08521	0.6
145.04951	0.4
145.10112	1.1
147.04395	0.7
147.08041	0.5
147.11694	1.9
149.09634	0.5
149.13255	2.0
151.14854	0.5
153.01819	100.0
154.02147	0.9
157.10121	0.7
159.08038	0.5
159.11717	0.7
161.09636	0.3
161.13258	1.3
163.03943	0.7
163.14804	1.4
165.01898	0.3
171.02882	5.6
171.04224	0.2
171.07944	0.3
171.11751	0.4
173.04477	0.5
173.09616	0.3
173.13255	0.8
175.11127	0.5
175.14799	0.6
177.05460	0.5
177.12735	0.3
177.16376	0.7
179.03372	0.3
183.02937	0.7
187.14853	0.4
189.16391	0.4
191.17989	0.5
203.17940	0.5
205.08670	0.3
217.19493	0.6
233.08067	0.3
255.05016	0.5
269.06418	0.3
273.14941	0.5
273.18423	0.3
273.25677	1.8
279.05078	0.5
285.06140	0.3
285.09802	0.3
289.25250	0.7
291.26828	1.5
297.06012	9.2
301.14246	0.3
303.26852	0.3
309.27789	0.8
315.07004	2.8
315.26892	0.3
325.05548	0.5
333.27960	0.3
353.27823	0.3
365.23438	0.3
367.21426	0.3
371.29489	0.7
381.28018	0.6
382.28342	0.3
389.30447	0.5
399.29019	1.3
417.29938	0.8
425.26547	0.4
428.33853	0.3
434.73758	0.3
443.27765	0.6
475.56219	0.3
545.29950	2.9
569.30804	0.6
586.35657	0.3
587.32056	1.2
605.33136	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	605.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49388	0.4
66.71749	0.4
68.41071	0.4
69.32977	2.2
69.33409	2.0
85.02899	0.8
87.68800	0.4
98.97607	0.7
107.08590	0.4
123.04453	1.6
137.65579	0.4
139.03891	1.1
153.01834	1.0
153.05470	0.5
161.06064	0.4
167.06952	0.6
168.07390	0.4
172.43843	0.4
175.60544	0.4
231.06471	0.7
336.97205	0.4
344.72955	0.4
397.12656	1.3
407.18207	1.1
410.19336	0.6
411.17877	2.1
411.67883	0.9
433.13794	0.4
590.19745	0.5
605.22003	100.0
606.22522	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24671	1.9
53.03934	12.3
55.01868	11.4
55.05260	3.0
55.05502	38.2
57.03425	9.2
57.07059	2.4
65.03941	7.4
67.05495	82.1
69.03424	17.5
69.07066	23.9
70.08665	9.7
71.01349	4.4
71.04991	10.8
73.02898	2.2
79.05479	72.9
81.02927	2.1
81.03409	74.6
81.07047	100.0
81.29546	2.2
83.04974	18.0
83.08614	29.0
85.02898	20.1
85.06525	4.9
91.05472	59.8
93.07033	63.1
95.04958	58.9
95.08595	38.2
97.02882	14.9
97.06513	12.6
97.10167	12.5
98.20743	3.4
99.04430	4.4
99.08113	2.9
102.78378	2.3
103.05436	5.7
105.04462	2.6
105.07019	45.6
105.07671	2.0
107.04934	21.9
107.08584	37.3
109.02879	22.0
109.06526	10.6
109.10152	8.0
111.04432	8.2
111.08083	8.9
112.49798	2.0
115.05443	8.6
117.07001	23.9
119.04905	8.1
119.08564	26.2
121.02859	3.3
121.06503	17.2
121.10129	20.4
123.04399	14.1
123.08054	7.0
123.11711	6.3
125.02316	5.5
125.06017	3.2
125.08862	2.0
125.09587	11.2
127.03946	7.2
128.06247	3.4
129.06969	19.7
131.04921	12.5
131.08569	33.1
133.06464	15.2
133.10126	22.0
135.04428	5.6
135.08025	8.1
135.11693	11.0
137.02342	2.8
137.05980	6.3
137.09613	3.1
139.03868	2.3
141.06966	8.9
142.07745	4.2
143.08528	10.0
145.06485	16.5
145.10117	14.3
147.04353	12.4
147.08040	11.0
147.11664	20.2
149.05952	8.5
149.09598	7.1
149.13231	9.7
151.07552	2.6
153.06941	3.7
155.08534	7.3
157.06497	7.6
157.10120	13.0
159.04315	2.1
159.08081	7.2
159.11629	12.3
161.05969	13.3
161.09630	6.2
161.13263	3.3
163.03894	2.1
163.07553	3.1
163.11168	9.2
165.06967	3.1
165.12723	5.6
167.08522	5.6
169.06461	3.5
169.10121	4.0
171.04448	3.2
171.07935	4.2
171.11656	6.9
173.04533	3.0
173.05951	8.4
173.09547	4.9
173.13295	3.4
175.07579	2.3
175.11186	9.5
177.09045	3.4
177.12770	7.1
181.10133	5.5
183.08032	5.0
183.11684	4.5
185.05991	3.5
185.09593	4.3
185.13280	3.3
187.07545	6.0
187.11211	3.6
189.05444	11.5
189.09149	2.9
189.11189	5.9
189.12726	4.3
191.07040	3.9
193.10422	2.8
193.12128	9.9
195.08035	3.6
195.11826	4.1
195.13799	13.3
197.09679	5.2
201.12794	3.8
203.10707	3.1
203.14133	2.8
205.12262	4.2
209.09636	3.5
211.11420	2.8
211.13322	9.1
219.13737	2.6
223.13310	4.2
227.12781	6.9
231.13847	2.5
233.15277	2.9
235.13274	4.8
239.14357	2.8
243.13879	2.7
245.15410	2.8
247.13168	3.1
249.14854	3.7
255.13800	3.5
257.15359	5.4
259.13431	2.6
261.14807	3.4
263.16599	2.4
267.16049	10.1
269.17450	27.4
271.13248	3.2
273.14810	28.9
275.16418	2.9
276.14105	7.8
277.14432	2.2
283.13367	5.3
285.14761	5.4
289.14307	3.3
291.15897	3.1
301.14322	36.4
303.16034	8.3
314.44080	2.2
319.15375	17.0
325.18011	3.1
337.16269	3.5
345.16974	3.1
357.16965	3.4
375.17969	11.3
377.19394	3.1
393.18976	10.0
395.20761	4.4
402.28650	2.2
443.27695	2.7
449.27048	3.3
459.25638	2.3
461.29114	5.2
477.26617	4.8
479.29880	5.3
485.29056	4.6
495.27350	4.8
513.27924	2.8
527.30090	4.6
531.29803	3.8
539.30469	3.4
541.31470	4.9
545.31116	4.3
551.30048	6.6
557.31158	9.7
569.31030	44.0
587.32092	45.3
605.33099	81.6
606.33612	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	603.3159
Annotation	trapoxin A
Peak:m/z	Relative Intensity
53.03933	6.5
55.01871	9.8
55.05265	2.6
55.05507	33.0
57.03431	12.4
58.00889	1.7
61.02908	3.2
67.05165	3.2
67.05496	40.0
69.03442	10.2
69.07062	12.1
71.04987	9.2
73.02904	2.6
77.03871	2.0
79.05491	44.8
81.03413	77.1
81.07056	41.9
82.03744	2.2
83.04971	19.0
83.08620	26.5
85.02424	2.5
85.02901	34.9
85.06528	4.3
91.03938	3.7
91.05475	46.6
93.07029	31.2
95.04963	58.2
95.08109	2.1
95.08614	18.5
96.68835	1.5
97.02882	10.6
97.06503	6.1
97.10175	15.9
99.04482	1.8
99.08054	2.0
100.34264	1.7
103.05453	5.2
105.07028	36.6
107.04953	18.5
107.08591	19.3
109.02869	17.8
109.06474	8.7
109.10164	8.8
111.04441	15.2
111.08049	14.1
113.05972	4.1
115.05430	8.3
117.07013	16.7
119.04935	7.6
119.08582	25.7
121.02840	7.8
121.06514	13.0
121.10121	13.7
123.04421	7.3
123.08043	5.8
123.11670	3.6
125.02284	2.5
125.05982	2.2
125.09631	8.7
127.03891	5.2
128.06229	4.4
129.05560	1.9
129.06982	20.8
131.04926	18.3
131.08568	19.1
133.06505	14.1
133.10117	14.3
135.04366	5.6
135.08035	3.9
135.11682	5.4
137.02304	4.8
137.05975	3.3
137.09604	3.6
139.03915	2.2
141.06960	4.1
142.07790	3.7
143.08548	7.9
145.06480	19.6
145.10094	9.8
147.04355	13.4
147.08035	7.4
147.11668	13.5
149.05959	8.1
149.09573	10.8
151.03906	2.7
153.01819	5.3
153.09093	2.2
153.12709	4.4
155.08517	6.2
157.06488	7.7
157.10112	15.7
158.07277	2.3
159.04436	2.0
159.08058	7.2
159.11688	3.4
160.05153	5.1
161.04791	2.4
161.05983	25.2
161.09608	7.7
163.03908	2.1
163.07640	2.9
163.11156	13.2
165.05495	2.7
165.06943	1.9
165.11276	1.9
165.12700	3.9
167.08559	4.4
169.06482	4.7
169.10114	4.1
171.04402	3.4
171.08035	7.9
171.11659	3.0
173.04558	3.3
173.05966	27.6
173.09605	6.1
174.06770	7.1
175.03864	3.1
175.07556	5.1
175.11148	15.7
177.05388	2.3
179.08519	2.9
181.12254	5.0
183.08044	3.6
183.11693	2.8
185.05975	5.0
185.09581	4.5
185.13263	3.8
186.06660	3.6
187.07495	12.6
187.11206	2.4
189.05420	23.9
189.09099	3.6
189.11211	3.7
190.06299	2.3
191.06958	2.3
191.10669	4.9
193.04890	2.4
193.10374	3.5
193.12234	29.9
195.08075	2.5
195.11798	2.3
199.07451	4.0
201.05507	2.9
201.09090	4.1
205.12248	2.4
211.11333	2.9
211.13254	43.8
212.13652	2.2
213.12721	3.3
215.07146	1.9
227.12726	8.1
227.14601	2.9
229.12070	2.0
237.12614	2.6
241.12170	3.3
245.15504	3.2
247.13400	3.0
251.11281	6.7
252.11510	2.3
255.13821	13.2
255.16104	2.8
257.15323	7.3
259.13412	3.1
267.15948	11.2
269.12323	40.5
270.12521	21.7
271.12100	12.0
273.14801	23.4
283.13168	16.0
283.15799	2.3
285.14606	9.3
285.17380	22.1
289.14365	7.2
292.13684	4.7
293.14105	3.0
301.14261	85.6
303.15982	4.3
319.15256	13.1
339.15781	2.2
341.17548	4.3
349.16629	2.8
349.66501	5.6
350.16724	2.0
357.16776	6.6
359.18451	3.4
375.18015	24.5
393.19003	7.8
447.22354	6.3
459.27185	4.9
465.26813	2.4
475.24487	4.4
477.28625	2.3
493.25610	6.4
511.26617	7.3
525.28595	3.3
529.27637	2.8
539.29852	2.4
543.29120	2.6
555.29431	2.6
557.30627	2.5
567.29718	13.3
573.30511	22.7
585.30560	77.7
603.31390	100.0
630.71582	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
53.03936	1.0
55.01860	1.2
55.05504	1.5
55.72956	0.2
57.03418	0.7
59.06100	0.5
64.31968	0.2
67.05499	2.5
68.04993	0.3
68.99783	2.6
69.03410	0.7
69.07045	0.6
70.06588	0.4
71.01355	0.4
71.05005	0.4
77.03915	0.3
79.01835	0.5
79.05489	4.1
80.05006	0.5
80.69509	0.2
81.03410	3.2
81.05778	0.4
81.06653	0.3
81.07056	3.8
82.06565	0.3
83.04960	0.8
83.08607	1.1
85.02903	1.6
91.05470	4.8
93.05764	0.7
93.07035	2.5
94.06566	1.2
95.04958	3.7
95.08588	1.0
97.02879	0.7
97.06533	0.3
97.10132	0.6
103.05470	2.1
103.08698	1.0
104.04975	1.4
105.03389	0.3
105.07030	3.3
106.06511	0.6
107.04951	3.3
107.07343	1.2
107.08594	1.0
108.08115	2.1
109.02872	1.3
109.06505	1.0
109.10159	0.7
111.04407	0.6
111.08037	0.4
115.05434	0.6
117.06994	0.8
119.04932	2.3
119.05965	0.4
119.08557	1.2
120.06824	2.0
121.02856	0.5
121.06490	5.3
121.10149	1.1
121.10966	0.2
123.04420	13.4
123.08043	0.3
123.09167	1.5
123.11700	0.4
124.07548	0.4
125.02330	0.7
127.03844	0.3
128.06230	0.4
129.06976	1.0
131.04912	2.0
131.08562	0.9
133.06494	2.3
133.10124	0.7
135.04425	4.1
135.09167	43.1
136.09407	0.3
137.02312	0.8
137.05984	0.6
139.03941	1.2
141.06947	0.3
143.03391	0.9
143.08560	0.5
145.06487	1.0
145.10060	0.7
147.04402	9.3
147.08034	0.6
147.11652	0.4
148.04716	1.0
149.05974	10.5
149.09605	0.6
151.03882	1.5
153.01820	15.5
154.02184	0.3
155.08577	0.3
157.10144	0.7
159.04405	1.7
159.08025	0.5
159.11615	0.3
160.05180	0.4
161.05980	5.0
163.03903	1.5
163.11177	0.4
165.05476	4.2
167.07043	1.1
167.08424	0.5
169.10239	0.3
171.04436	0.3
171.08063	0.3
171.11786	0.3
173.05945	1.7
173.09604	0.3
174.06755	0.5
175.03896	0.4
175.07530	0.5
175.11278	0.4
177.05455	100.0
178.05798	0.7
183.08049	0.4
187.07574	0.5
189.05453	7.2
191.07045	0.3
191.10524	0.3
193.12225	1.5
199.11235	0.3
200.08337	0.2
203.07117	0.3
205.04836	0.3
207.06557	0.6
211.13220	1.4
215.06955	0.3
227.12743	0.3
252.16423	0.3
257.15326	0.4
257.68228	0.2
267.15878	0.3
271.13245	0.3
273.14938	1.4
283.13309	0.7
285.14584	0.5
285.17349	0.6
289.14398	0.7
293.08194	0.5
299.13846	4.1
301.14261	3.8
311.05524	0.4
311.09097	6.3
319.15277	0.5
329.06403	0.2
329.10156	5.1
357.16879	0.3
375.18054	1.0
433.17749	0.3
441.18753	0.6
481.11313	13.5
543.28662	0.4
567.29590	1.0
573.30670	0.9
585.30609	3.6
603.19727	37.8
603.31329	5.0
604.20001	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61766	0.1
55.01857	0.2
62.68355	0.2
69.03417	0.2
70.39767	0.5
71.27079	0.1
78.04704	0.9
79.05499	0.7
81.03410	0.3
81.07082	0.2
85.02889	0.3
91.05473	0.2
93.03366	0.2
93.07030	0.4
94.63952	0.1
95.04956	0.4
101.21847	0.1
103.05515	0.2
104.37804	0.1
105.07011	0.7
106.04183	0.5
107.04948	1.1
119.04911	0.2
121.06527	0.3
123.04420	2.9
124.05188	0.9
133.06468	0.6
134.03586	0.2
135.04469	0.2
137.05936	0.3
149.05960	0.5
151.03897	0.6
152.04675	1.0
153.01810	0.9
161.05952	0.6
163.07497	0.6
165.09129	0.3
167.07024	100.0
168.07336	1.0
177.05464	0.2
179.07033	0.4
181.08572	0.7
193.08588	5.0
195.10175	0.3
211.09637	21.3
212.16420	0.4
213.11224	2.3
254.17404	0.2
272.18466	0.6
307.37704	0.2
440.30118	0.3
602.35529	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73304	0.4
55.05493	0.7
57.07073	6.6
58.06588	2.1
65.03936	1.1
67.05484	1.0
69.07071	0.6
70.06589	19.0
71.08627	3.0
72.08162	0.8
78.48091	0.4
79.05490	0.8
81.03416	0.7
81.07052	1.3
83.08605	0.6
85.02915	0.5
88.07079	1.0
88.07627	20.4
91.05456	0.4
93.07065	0.9
95.04964	0.6
97.10247	0.4
102.09174	14.0
105.07093	0.4
109.10157	1.0
119.08577	0.7
121.10196	0.5
123.04420	0.7
124.00764	0.4
131.04979	0.6
133.10097	0.5
139.03926	1.1
146.11800	0.6
147.04388	0.6
149.02333	34.4
156.17494	1.0
175.03946	1.1
177.05473	1.0
191.07002	0.5
193.04948	43.2
194.05414	0.8
200.20085	45.9
201.20561	0.8
219.06552	1.5
229.14449	0.5
237.07567	11.4
244.22791	1.9
269.04413	1.5
285.10086	0.7
297.04062	2.0
313.07199	1.9
341.06552	8.2
347.09735	0.5
359.07605	7.2
382.56171	0.4
385.09155	17.9
403.10052	0.6
429.11783	27.2
440.29996	0.8
584.28760	1.3
602.29553	100.0
603.29993	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	601.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	2.8
53.03940	5.2
55.01870	2.1
55.05509	21.7
55.50550	1.7
57.07072	9.2
59.04981	2.8
65.03934	6.9
67.05498	34.2
69.03420	15.9
69.07065	24.0
70.80005	5.4
71.04984	3.7
79.05488	39.2
80.06240	2.0
81.07053	48.4
83.04974	18.8
83.08614	16.4
85.06541	5.3
87.04449	5.4
91.05474	66.2
92.06283	2.0
92.56897	1.8
93.07037	77.6
95.04961	30.0
95.08604	50.5
97.06525	15.1
97.10188	2.2
99.08089	2.3
103.05454	5.0
104.06248	1.9
105.04540	3.7
105.07027	96.7
107.04949	2.8
107.08589	80.4
108.08917	2.1
109.06516	19.8
109.10154	33.8
111.08089	6.1
113.09615	4.4
115.05473	7.5
117.07005	25.1
119.08572	100.0
120.08859	2.4
121.06494	13.0
121.10137	91.4
121.52476	1.7
122.24216	1.7
123.08069	16.2
123.11701	14.0
125.05995	3.4
125.09608	15.3
128.06213	13.9
129.07011	17.8
130.07782	9.1
131.08565	51.3
133.06493	5.4
133.10129	66.4
134.10533	2.0
135.08054	14.5
135.11682	25.0
137.09608	9.5
139.07596	1.7
139.11153	7.3
141.06985	7.6
142.07793	25.8
143.08566	41.4
144.09387	11.8
145.06459	3.9
145.10114	73.6
146.07324	2.1
146.10689	1.7
147.08026	14.5
147.11697	27.5
149.09621	27.0
149.13293	5.7
151.07541	5.9
151.11169	2.9
153.07007	3.7
154.07784	4.9
155.08545	21.6
155.10674	5.4
156.09357	17.4
157.10121	58.3
158.10834	7.7
159.08035	18.3
159.11676	46.9
160.08817	2.9
161.09625	14.3
161.13213	8.3
163.11145	12.5
165.07001	7.8
165.09109	14.0
165.12801	1.8
166.07774	4.2
167.08568	8.7
167.10667	71.6
168.09305	4.0
168.10930	2.5
169.10123	27.7
170.10895	9.3
171.08061	1.8
171.11681	33.6
172.08913	2.5
172.12268	3.0
173.09669	7.0
173.13237	25.4
175.11183	12.3
175.14796	19.8
177.12749	3.0
178.07755	2.8
179.08591	12.0
180.09293	5.7
181.10117	17.2
181.12236	6.5
182.10870	9.8
183.11716	28.0
184.12408	4.0
185.09651	4.1
185.13229	23.0
186.13820	2.7
187.11176	6.9
187.14861	13.0
189.12746	7.8
191.14316	9.3
192.09406	3.5
193.10172	13.7
193.11974	2.5
193.15877	2.1
194.10957	8.2
195.11674	19.8
196.12422	9.8
197.09668	3.3
197.13228	25.6
199.11162	7.2
199.14766	15.9
201.12750	4.5
201.16353	8.7
203.14330	9.0
205.10062	4.3
206.10849	6.5
207.11694	17.2
207.13564	3.2
208.12466	10.0
209.13332	26.2
209.15323	5.1
210.13887	5.5
211.11229	4.2
211.14799	20.0
212.15472	1.9
213.12743	6.0
213.16362	7.2
215.14296	6.4
217.10248	2.5
217.15855	6.2
219.11749	4.9
220.12415	5.8
221.13245	13.7
221.15398	27.2
222.13808	3.8
223.14798	18.8
224.15347	2.6
225.12808	5.1
225.16342	10.5
227.14276	5.3
229.15851	2.5
230.10785	2.5
231.11667	4.2
231.17293	2.3
232.12506	3.7
233.13199	6.0
233.15331	33.7
234.13940	3.8
234.16086	2.4
235.14810	11.0
235.16786	2.8
236.15486	3.5
237.16428	6.8
239.17970	5.8
241.15808	2.1
243.11624	2.1
245.13226	3.8
246.13930	4.3
247.14816	7.0
248.15651	2.5
249.16454	7.7
251.17944	8.3
253.19588	3.3
255.17401	4.1
257.18994	4.4
258.14026	2.5
259.14737	5.4
261.16452	6.0
262.16953	2.2
263.17896	6.6
265.19519	7.9
269.18909	11.3
271.20422	2.3
273.16275	4.1
275.17886	5.7
277.19431	3.6
281.19028	5.6
283.20441	8.1
285.18594	5.0
287.20142	5.3
289.19312	4.2
291.17563	2.5
291.20966	3.7
293.18976	3.6
295.20712	5.1
297.22278	2.2
299.20331	3.8
301.21683	5.1
309.21973	2.9
311.20087	2.3
317.22525	2.6
341.22467	2.4
343.24265	2.2
349.25272	4.3
353.24683	2.1
361.25183	3.5
365.24936	2.7
367.26181	3.9
379.26242	2.5
441.08478	2.0
491.35263	2.7
565.40295	6.4
583.41168	13.1
601.42505	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	601.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25386	1.9
50.81803	1.5
53.03940	3.1
55.05505	18.2
55.36055	1.4
57.07068	13.7
59.05000	4.6
65.03931	5.1
66.33327	1.5
67.05501	34.3
69.03429	16.5
69.07063	25.2
71.04987	3.1
78.54436	1.6
79.05482	32.4
80.05841	1.6
81.03406	2.0
81.07049	53.5
83.04978	19.1
83.08611	14.4
85.06531	6.2
87.04453	3.5
91.05469	59.8
93.07037	84.0
94.07366	2.3
95.04960	29.8
95.08595	45.0
96.08945	2.1
97.06517	12.6
97.10162	2.6
97.76189	1.7
98.20767	4.0
103.05459	5.1
105.04481	1.9
105.07019	100.0
106.07289	1.9
107.04935	3.0
107.08582	73.3
108.08940	2.5
109.06507	21.5
109.10147	27.3
111.04457	2.0
111.08060	3.5
113.09624	3.6
114.92637	1.8
115.05449	5.2
116.06217	3.2
117.07003	18.4
119.04949	2.7
119.08569	90.0
120.08907	2.2
121.06531	11.3
121.10131	82.5
122.10493	2.1
123.08060	22.4
123.11696	9.5
125.05981	6.4
125.09614	13.4
128.06195	13.4
129.06993	19.0
130.07806	10.2
131.08556	46.3
133.06488	4.7
133.07549	2.2
133.10120	67.0
135.08057	22.1
135.11681	17.8
137.09612	12.8
137.13228	1.8
139.07538	1.9
139.11162	3.8
141.06924	10.0
142.07771	26.7
143.08554	49.1
144.09337	12.4
145.06490	4.3
145.10107	64.1
146.07291	2.4
146.10567	1.7
147.08034	22.1
147.11679	24.7
149.09602	21.7
149.13237	4.0
151.07550	18.9
151.11186	4.3
153.06969	5.6
153.09096	2.0
154.07787	3.5
155.08533	18.4
155.10646	3.2
156.09331	19.1
157.10120	60.7
158.10797	8.7
159.08049	15.5
159.11694	37.3
160.08907	2.0
160.12079	2.8
161.09593	16.1
161.13258	10.0
163.11189	16.1
165.07001	8.2
165.09087	37.8
166.07858	3.7
167.08607	10.6
167.10655	47.0
168.09308	6.8
169.10110	32.3
170.10864	11.2
171.08095	1.8
171.11674	41.7
172.12352	3.6
173.09596	7.3
173.13263	22.2
174.13600	1.8
175.11165	10.1
175.14806	9.2
177.12691	4.1
178.07761	2.2
179.08554	10.9
180.09300	7.3
181.10106	16.9
181.12204	14.8
182.10909	12.6
183.11688	27.2
184.12428	5.4
185.09680	5.0
185.13232	23.5
186.10274	2.7
186.13692	2.0
187.11165	5.8
187.14890	9.8
189.12663	9.9
191.08522	2.8
191.14270	10.4
192.09401	4.0
193.10138	15.3
193.11980	3.1
194.10951	9.5
195.11684	27.6
196.12398	3.2
197.13239	24.8
198.13901	3.0
199.11174	5.0
199.14830	17.0
201.12700	5.9
201.16386	3.4
203.14297	16.8
205.10059	3.4
206.10899	4.9
207.11691	16.8
207.13799	8.8
208.12434	7.6
209.13269	23.9
209.15334	4.8
210.13957	5.8
211.11201	3.5
211.14769	16.0
212.15387	2.0
213.12720	5.4
213.16411	8.1
214.13264	2.1
215.14278	5.6
215.17839	1.7
217.10023	1.8
217.15874	5.7
218.10921	2.4
219.11757	6.9
220.12390	4.9
221.13245	13.1
221.15311	88.2
222.13802	3.8
222.15701	7.1
223.14792	18.6
224.15434	2.9
225.12701	3.9
225.16377	12.0
227.14279	6.6
229.15738	2.8
231.11644	5.3
231.17378	2.9
232.12476	3.8
233.13239	6.0
233.15369	23.6
234.15959	2.4
235.14757	7.3
236.15323	2.0
237.16444	6.6
239.17943	4.4
240.14961	2.5
241.15805	2.9
241.19528	3.5
244.12546	1.9
245.13208	5.2
246.13879	3.0
247.14748	7.0
247.17009	5.5
248.15517	2.6
249.16441	9.2
251.17972	5.8
255.17389	2.7
257.19016	2.9
259.14746	4.5
260.15503	3.6
261.16360	7.2
263.18024	4.5
265.19568	7.1
269.19003	3.6
271.20584	3.2
273.16217	2.9
273.18762	2.3
275.17770	4.7
275.20325	3.3
277.19443	4.1
279.17542	1.9
281.18924	5.0
283.20618	9.1
285.18579	4.5
286.19150	3.8
287.20135	8.9
289.19550	4.1
291.21011	3.2
295.20605	4.6
297.22000	2.6
299.20032	6.4
300.20633	2.2
301.21814	8.0
303.19617	3.0
304.19821	3.5
307.20633	2.1
311.20074	3.1
312.20673	3.9
315.21011	2.2
326.22021	1.7
331.24118	5.0
335.23624	1.9
349.25250	6.2
352.23825	6.8
353.24371	8.4
356.07806	1.7
357.25818	2.3
361.25320	3.6
365.24628	4.4
366.25082	2.9
367.26260	9.9
375.26953	3.4
379.26291	1.9
437.30353	2.1
473.33749	2.1
491.34857	8.8
503.35098	5.1
509.35150	2.3
521.35809	7.7
527.34338	1.6
547.39026	2.5
565.40503	11.5
583.41351	18.2
601.42426	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	601.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.4
53.03947	3.6
55.01861	2.2
55.05507	17.8
57.07067	9.8
59.04998	3.5
65.03941	3.9
67.05505	26.0
69.03421	19.2
69.07066	23.2
70.75415	4.8
71.04988	3.4
71.08609	1.8
79.05490	30.5
81.03401	3.0
81.07052	39.3
83.04986	17.3
83.08611	14.1
85.02912	2.3
85.06528	4.5
87.04449	4.7
89.05997	1.5
91.04898	1.6
91.05479	48.0
93.07037	69.7
93.96511	1.6
95.04967	25.7
95.08599	39.4
96.08950	1.7
97.06517	10.9
97.10162	2.3
103.05417	5.0
105.07026	100.0
106.07343	3.5
107.04911	3.0
107.08591	61.7
108.08913	1.8
109.06526	15.6
109.10155	24.9
111.08040	4.1
111.11716	2.6
113.09647	2.2
115.05429	6.6
116.06230	1.7
117.07024	19.5
119.04899	1.5
119.08578	82.5
120.08881	1.8
121.06503	11.9
121.10139	74.3
122.10442	2.6
123.08051	17.9
123.11720	9.2
123.28695	1.5
125.05987	5.1
125.09612	9.2
128.06210	11.3
129.07004	16.5
130.07822	6.9
131.08562	38.6
131.85910	1.6
132.09332	1.4
133.06516	3.7
133.10118	54.3
135.08038	20.3
135.11665	14.8
137.06064	1.6
137.09627	11.0
139.11142	4.7
141.06993	8.0
142.07751	18.6
143.08568	39.4
144.09396	9.0
145.06432	2.9
145.10118	64.4
146.10555	2.2
147.08043	18.2
147.11673	23.1
149.09593	20.8
149.13237	4.4
151.07527	12.5
151.11176	3.0
153.06973	5.2
153.09064	2.6
154.07726	3.3
155.08560	16.9
156.09303	14.1
157.10126	51.4
158.10730	6.1
159.08063	14.2
159.10419	2.7
159.11682	36.3
160.12161	2.2
161.09615	11.1
161.13257	8.5
163.11171	15.2
165.06979	4.6
165.09108	31.7
166.07776	2.9
166.09370	1.8
167.08563	9.2
167.10669	39.9
168.09319	5.9
168.10869	1.4
169.10112	28.5
170.10907	7.8
171.07971	2.1
171.11684	37.6
172.12341	3.1
173.09627	6.4
173.13235	18.2
175.11182	8.6
175.14760	8.5
177.12784	2.0
178.07608	1.4
179.08533	9.9
179.14241	2.0
180.09290	5.4
181.10109	13.6
181.12231	13.1
182.10939	8.5
183.11694	25.3
184.12254	4.1
185.09592	3.6
185.13257	20.5
186.13811	2.5
187.11134	5.1
187.14816	8.2
189.12755	9.6
191.14302	5.7
192.09315	2.2
193.10114	10.0
193.11984	2.2
194.10916	8.2
195.11713	16.5
196.12390	5.1
197.09531	1.7
197.13271	20.9
198.13866	4.3
199.11079	4.1
199.14783	13.3
201.12737	6.0
201.16368	3.2
203.14273	15.4
205.10143	2.7
205.15813	2.0
206.10887	4.9
207.11638	15.0
207.13773	4.9
208.12553	7.3
208.14319	2.4
209.09656	1.6
209.13266	23.4
209.15286	4.4
210.13924	4.1
211.11307	3.7
211.14799	14.4
212.15376	1.7
213.12697	5.2
213.16307	4.7
215.14363	4.3
217.10143	2.8
217.15837	5.7
218.10941	2.8
219.11703	5.3
220.12399	5.1
220.14403	1.6
221.13223	12.8
221.15306	66.5
222.13876	3.3
222.15823	2.0
223.14815	13.1
224.15466	1.9
225.12735	2.7
225.16362	8.5
227.14270	3.5
227.17889	1.9
229.10001	1.6
231.11685	2.8
231.17458	2.1
232.12408	2.1
233.13153	5.1
233.15355	20.9
234.13908	2.7
234.15955	3.6
235.14836	8.7
235.16817	2.4
237.12703	2.2
237.16597	7.0
239.14232	1.6
239.17882	4.6
241.15884	2.1
245.13312	3.4
246.13910	1.9
247.14729	5.3
247.16946	3.5
249.16389	5.2
250.17023	2.0
251.17935	3.3
253.15952	2.0
255.17534	2.1
257.13223	2.6
257.19031	3.2
259.14676	4.6
260.15683	2.4
261.16220	5.0
262.16937	2.1
263.18024	4.7
265.19482	5.5
267.17569	3.5
269.18958	4.8
271.14841	2.3
271.20651	1.5
273.16141	3.1
273.18768	2.1
274.17084	2.2
275.17871	5.6
277.19495	4.0
279.17416	2.6
281.18848	2.9
283.20615	8.0
285.18701	3.7
286.19223	2.3
287.19989	6.5
291.20877	2.3
293.18918	2.2
295.20444	2.9
297.15991	1.8
297.22119	2.8
299.20007	3.5
300.20810	3.0
301.21603	6.5
303.19534	2.5
304.19781	2.0
312.20569	1.8
321.22256	1.7
331.24188	5.3
349.25113	5.3
352.23926	3.3
353.24222	5.6
357.25366	1.7
361.25073	2.5
365.24957	2.1
366.25101	1.9
367.26459	7.7
375.26672	3.4
403.29947	1.8
491.34610	4.6
503.35245	5.4
509.35175	3.1
521.35815	6.2
547.39264	2.2
565.40222	8.7
583.41302	14.4
601.42529	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	601.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.9
55.01857	0.9
55.05510	6.6
57.03422	0.9
57.07066	9.4
59.04985	3.4
65.03903	1.9
67.05499	12.3
67.96497	0.8
69.03422	9.8
69.07066	4.8
69.50894	5.7
71.04942	1.1
77.03886	0.6
79.05066	0.8
79.05483	13.6
81.03388	0.7
81.07051	20.2
82.07367	1.1
83.04968	3.9
83.08567	2.6
84.31042	0.7
84.34138	0.6
85.06530	3.8
91.05476	25.6
92.05764	0.8
93.07039	36.9
94.07349	1.1
95.04436	0.8
95.04958	9.8
95.08599	22.2
97.06522	4.3
98.20705	1.3
103.05435	2.5
104.06258	0.8
105.07023	42.8
106.07323	2.0
107.04950	1.1
107.08588	21.7
108.08904	1.6
109.06506	11.3
109.10151	10.6
111.08031	2.6
115.05425	2.0
116.06249	0.9
117.07011	10.5
118.07275	0.8
119.08571	46.3
120.08886	2.4
121.06502	5.6
121.09312	1.1
121.10135	20.1
122.07255	1.6
122.10459	1.4
123.07179	1.3
123.08047	17.5
123.11658	2.5
124.08387	0.7
125.05978	6.8
128.06174	4.4
129.06999	8.8
130.07835	3.7
131.08565	17.4
132.09145	1.0
133.06458	3.0
133.10129	25.3
134.10474	1.5
135.08040	13.9
135.11681	7.9
136.08379	0.8
137.05972	1.6
137.08647	1.2
137.09601	15.0
138.09929	0.7
139.07469	1.3
141.07037	3.5
141.07988	0.7
142.07782	7.9
143.08559	14.6
144.09384	5.9
145.10114	30.9
146.10486	2.6
147.08034	27.5
147.09216	1.2
147.11684	6.3
148.08409	2.2
149.09592	5.8
149.13263	1.3
151.06413	1.2
151.07538	16.5
151.11121	0.9
153.06905	1.6
153.09053	1.5
154.07715	1.4
155.08545	6.7
156.09319	6.4
157.10123	21.7
158.10709	3.0
159.08102	3.5
159.11684	17.9
160.12166	1.4
161.09618	5.8
161.13222	6.7
163.11165	9.4
165.06900	2.2
165.09102	49.8
166.07991	1.1
166.09468	2.6
167.08517	2.7
168.09280	2.6
169.10107	10.6
170.10931	4.4
170.12256	0.8
171.08000	1.1
171.11681	12.2
172.12183	2.2
173.09619	3.9
173.13275	7.3
173.32487	0.7
174.10277	1.3
175.11192	5.1
175.14818	5.7
176.11462	1.1
177.09103	2.0
177.12740	0.7
179.08545	2.4
179.10574	1.7
180.09221	2.0
181.10123	4.1
181.12186	9.6
182.10796	2.8
183.11673	10.4
184.12326	1.4
185.09467	1.4
185.13223	7.9
186.13725	1.0
187.11166	2.8
187.14824	5.1
188.11740	1.4
189.12762	4.8
190.13460	1.1
191.10733	1.0
191.14230	2.6
192.09401	0.8
192.11247	1.5
193.10109	3.3
193.11948	1.2
194.10951	3.7
194.12469	1.0
195.11716	6.3
195.13512	1.1
196.12344	2.8
197.09546	1.0
197.13251	8.3
198.13609	0.9
199.11118	3.0
199.14807	3.0
200.11780	0.7
201.12711	2.5
201.16426	1.4
203.14307	18.1
204.14629	1.6
205.10043	1.0
205.11966	0.8
205.15756	0.8
206.10916	1.0
207.11650	3.9
207.13791	6.3
208.12326	1.6
208.14426	2.1
209.13213	7.2
209.15248	2.2
210.13853	1.6
211.11179	1.1
211.14795	4.4
212.15456	0.6
213.12735	2.2
213.16296	2.6
215.14320	1.7
217.15779	1.1
218.10773	0.8
219.11685	1.6
219.13600	1.3
220.12347	1.5
220.14322	1.1
221.13408	4.3
221.15343	100.0
222.13783	0.9
222.15674	6.2
223.14682	3.4
224.11794	0.9
225.12766	1.7
225.16344	3.6
226.16881	0.7
227.14238	1.7
227.18007	1.0
229.12251	1.1
229.15889	1.8
231.11641	1.1
231.13751	1.4
233.13193	1.9
233.15331	1.0
234.16049	2.3
235.14716	2.7
235.16711	1.6
237.12709	0.8
237.16333	2.5
239.14291	1.1
239.17903	1.4
241.15680	0.7
247.14723	1.3
247.16939	4.6
248.17325	2.1
249.16391	2.1
251.14095	0.8
251.17963	1.2
253.15991	0.8
257.13177	0.9
259.14722	1.0
261.16278	1.0
263.18011	1.3
265.19537	1.2
267.17252	0.8
269.15396	0.9
269.18924	0.8
271.16971	1.0
271.20673	0.7
274.19366	0.9
275.17740	1.0
279.21069	0.8
283.20569	1.9
285.18631	1.3
286.19269	3.1
287.20013	5.4
288.20282	1.0
293.19009	1.2
295.20587	1.2
299.20193	3.3
300.20621	5.5
301.21921	3.5
309.22009	0.8
312.20801	2.0
313.21573	2.7
314.22244	0.9
325.21533	1.3
326.21960	1.6
327.23141	1.1
337.21539	1.1
338.21808	1.0
340.23978	1.6
341.24063	1.0
347.23740	0.8
349.25372	0.9
352.23859	3.9
353.24374	3.2
365.25009	1.2
367.26358	6.0
375.26932	2.1
377.24677	0.8
378.25519	0.9
392.27170	0.9
393.27832	3.3
419.29471	0.8
420.29956	1.7
421.30878	1.3
426.27356	1.2
427.28281	2.0
428.28888	2.4
440.29251	2.7
441.29501	6.3
464.33063	0.8
491.35223	11.6
509.36026	4.1
520.35718	1.3
521.35992	7.1
565.40564	1.5
583.41467	13.5
596.05731	0.7
601.42358	37.5
602.42914	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1184
Annotation	Quercetin 3-(2''-galloylrhamnoside)
Peak:m/z	Relative Intensity
50.04748	0.1
50.16529	0.1
51.02372	0.4
55.05500	0.4
55.12738	0.1
68.99800	0.1
69.03425	0.9
70.75565	0.3
70.75899	0.3
79.01842	2.5
81.03366	0.2
83.04965	2.0
85.02911	0.2
86.09684	0.2
87.00764	0.2
93.07047	0.2
94.47597	0.1
95.04932	0.2
95.08591	0.2
97.02882	0.6
105.07032	0.2
107.01311	0.7
109.02851	0.4
109.10169	0.1
111.04424	1.0
123.04427	0.9
125.02326	2.4
127.03904	0.4
129.05464	0.3
133.10124	0.2
137.02313	0.3
137.05937	0.2
139.03886	0.8
143.03378	5.7
145.02850	0.3
147.04425	0.2
151.03903	0.2
153.01813	100.0
154.02101	0.6
161.05991	0.2
163.03914	0.3
165.01843	0.2
167.07121	0.7
171.02856	0.3
177.05402	0.7
178.05782	0.2
183.02917	0.1
191.03397	0.2
197.00833	0.3
201.05400	0.2
223.02342	0.3
229.04979	0.4
245.04469	0.2
252.00388	0.1
257.04337	0.2
299.07581	5.4
303.04956	7.0
329.42316	0.1
381.06070	0.2
409.05539	0.2
601.27924	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64788	1.6
53.03926	1.5
55.05498	3.9
57.07063	7.1
58.77853	1.3
59.04989	2.0
65.03938	1.7
67.05491	9.1
69.03416	6.9
69.07047	2.6
70.46003	1.3
71.89431	1.4
79.05484	10.0
81.07050	13.6
83.04968	2.9
83.08584	2.1
85.06515	2.6
86.06935	1.2
91.05481	16.3
93.07040	33.0
95.04967	5.4
95.08596	17.7
97.06519	2.1
98.20708	3.0
105.06381	2.7
105.07025	31.3
107.08597	18.4
109.06528	8.2
109.10152	5.5
110.41700	1.2
111.08090	2.4
112.87798	1.5
117.07021	6.8
119.08569	33.7
121.06503	5.1
121.10135	16.9
123.08047	12.4
123.11691	2.1
125.05984	4.5
128.06223	2.2
129.06989	4.9
130.07748	3.5
131.08559	12.4
133.10129	20.4
135.08057	9.3
135.11678	5.9
137.09595	10.3
139.07512	1.6
139.11172	1.9
142.07736	5.7
143.08577	12.4
145.10106	26.7
146.10562	1.7
147.08051	20.3
147.11711	7.2
149.09598	6.3
151.07541	10.7
155.08556	4.3
156.09323	5.9
157.10146	16.6
158.10596	1.7
159.11684	15.8
161.09619	6.1
161.13272	5.2
163.11226	7.5
165.06996	2.0
165.09109	43.7
165.10504	2.3
166.07927	1.5
166.09387	3.2
169.10104	7.2
170.10922	2.1
171.11632	10.1
173.09662	2.3
173.13248	6.8
175.11165	2.3
175.14813	4.2
177.09097	1.7
179.08528	3.7
179.10709	2.2
181.10133	4.0
181.12177	8.8
182.10881	3.5
183.11600	8.8
184.12384	1.5
185.13266	6.0
187.11188	2.4
187.14815	4.4
189.12740	5.4
193.10173	2.4
194.10869	2.4
195.11678	5.0
195.13588	2.2
197.13229	5.3
199.11131	1.8
199.14868	2.6
201.12831	1.8
203.14319	16.9
206.10806	2.1
207.11827	3.0
207.13840	6.6
209.13292	3.2
209.15160	3.2
211.14803	4.5
213.12793	1.8
213.16347	2.0
221.15347	100.0
222.15707	6.1
223.14874	3.0
225.16408	2.0
227.14359	1.6
233.13080	2.8
235.14806	2.8
247.16850	2.8
249.16321	2.1
283.20547	3.7
287.20084	7.0
297.22025	2.6
299.20099	2.4
300.20767	3.0
301.21558	4.1
313.21512	2.7
325.21509	2.3
352.23749	1.8
353.24487	3.0
356.10327	1.5
367.26334	6.9
369.85764	1.6
393.27902	3.8
441.29453	5.5
491.35175	9.7
509.35898	3.3
521.35645	6.9
565.39844	2.1
583.41266	10.0
601.42383	38.4
602.42371	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	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
62.64668	19.9
69.79618	32.6
69.80029	100.0
75.45044	21.7
78.53978	17.5
81.07007	32.5
90.14515	17.9
91.05480	33.0
93.07063	21.0
95.04943	19.4
98.20837	37.7
105.07014	39.4
107.08578	43.8
119.08552	63.5
121.10135	23.5
121.97955	19.7
143.08607	28.0
145.10089	55.4
147.07979	23.5
157.10049	26.2
165.09181	44.1
170.34409	20.2
171.11632	32.8
181.12273	20.0
221.15369	79.1
225.16270	20.1
233.75716	18.5
234.16159	29.5
274.19525	23.8
317.12332	18.8
352.24106	19.6
440.29086	44.5
452.50131	20.0
520.35461	39.1
600.41583	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91041	9.4
66.39880	9.8
69.03437	9.1
69.56680	77.8
77.06730	9.2
81.07063	21.6
83.20643	9.4
89.06017	10.1
91.05463	21.8
93.07037	34.3
95.04980	12.1
95.08595	16.5
105.07023	49.7
107.08549	15.9
108.71062	9.2
109.10155	14.7
119.08566	64.1
121.06528	10.2
121.08659	9.0
121.10168	15.8
122.35115	8.5
123.08072	16.9
131.08553	8.8
133.10201	20.6
143.08545	14.9
145.10107	34.5
147.07990	12.6
149.09749	11.9
157.10139	29.3
159.11633	9.7
163.11197	25.5
165.09119	35.9
169.10136	10.2
171.11703	14.6
175.11165	12.7
181.12302	10.4
183.11659	11.7
193.12233	12.5
195.11635	9.5
197.13330	13.4
201.12657	16.5
203.14352	11.5
207.13763	9.1
221.15326	100.0
222.51480	9.5
234.16176	29.3
247.16971	31.6
287.20099	11.5
299.20111	23.3
311.19968	9.8
313.21677	15.7
325.21594	21.2
340.23886	17.0
352.23880	27.2
366.88849	9.4
390.32635	9.9
419.29105	14.0
420.29840	10.3
427.28278	19.3
440.29175	74.4
493.33249	14.7
520.35388	33.8
545.57135	9.9
600.41541	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	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
66.44447	12.2
70.04790	10.3
70.05106	61.7
74.46568	10.8
80.57715	9.5
81.07002	13.7
83.04979	12.3
89.06026	13.1
91.05446	19.4
93.06993	20.5
95.08578	14.5
105.07033	39.8
107.08657	10.4
109.06527	10.8
119.08561	42.3
121.10125	24.1
131.08557	11.4
133.10138	22.8
135.08011	21.7
137.09650	13.4
145.10080	25.7
147.08028	22.4
155.08524	13.5
157.10060	23.9
159.11673	18.6
163.11153	17.3
165.09091	36.3
169.10156	11.8
175.11095	14.1
181.12210	19.8
183.11661	17.8
196.37851	11.0
215.61844	12.2
221.15372	100.0
234.16029	16.7
247.16940	31.6
261.75821	10.9
287.19873	14.0
290.85785	12.1
299.20053	19.3
340.23804	17.5
352.23846	38.2
440.29068	49.3
520.35449	27.9
600.41858	59.7
623.12262	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	600.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57198	0.3
52.64360	0.3
55.05492	0.4
56.96553	0.4
61.57376	0.3
67.05486	0.3
69.03421	0.9
69.07047	0.3
70.06563	0.4
71.60291	0.4
80.06590	0.3
81.03401	0.7
83.04935	0.5
84.96022	0.3
85.02905	1.6
91.05461	1.1
93.07033	0.4
95.04939	0.4
97.02867	0.9
98.97577	1.5
105.07031	1.3
107.04991	0.7
107.08601	0.5
110.97545	0.3
115.05429	0.7
116.98586	1.1
117.06986	0.7
119.08568	0.7
119.36064	0.3
123.04422	0.5
123.08033	0.5
127.03899	0.3
128.06209	1.2
128.98575	0.4
129.07011	3.6
130.07745	0.4
131.04929	0.4
131.08565	4.5
133.06490	1.1
133.10123	0.6
134.99709	0.5
137.09598	2.1
138.09918	0.5
141.06976	1.1
143.08537	0.9
144.05673	1.2
145.06502	1.6
146.07275	0.8
147.04388	0.4
147.08084	0.3
147.11687	0.6
153.01791	1.1
153.07005	0.5
153.09045	0.5
157.06465	2.2
158.07253	0.5
158.99664	0.5
159.08043	9.2
161.05933	0.8
161.09578	2.3
161.13240	0.4
167.07037	0.9
169.07684	0.5
170.07269	1.4
171.08009	2.1
172.05200	0.6
173.05988	1.3
174.06676	0.5
175.07552	1.1
177.00693	0.9
187.07516	6.9
189.05359	0.3
189.09088	3.3
189.12798	0.4
190.06151	0.6
191.07063	0.6
192.07790	0.5
193.08572	0.6
199.07555	1.1
201.09109	0.8
203.07013	0.9
204.07796	4.1
205.08548	0.8
206.09355	0.7
207.10081	0.3
207.13806	0.6
213.07710	0.7
216.07919	1.7
217.08559	0.9
218.09236	0.5
219.01740	0.8
219.10164	2.3
221.08165	0.6
221.11760	0.9
222.08440	0.3
231.10118	2.8
233.11691	4.7
234.08832	0.5
237.02834	1.3
237.11182	0.7
249.11208	100.0
250.11534	1.3
251.12732	0.5
267.12256	6.0
281.10776	0.5
303.10837	0.3
325.14636	0.4
325.64984	0.5
365.19769	0.4
388.14478	0.4
406.17505	3.7
406.67581	3.9
407.18140	2.0
407.68420	0.7
425.14703	1.4
521.22644	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66074	0.3
59.27816	0.3
69.03404	1.0
69.49484	0.7
69.49889	2.0
73.39725	0.3
80.05409	0.3
81.03429	0.4
85.02901	2.0
91.05466	1.4
97.02877	1.0
97.50550	0.3
98.21477	0.4
99.37963	0.3
105.07006	0.6
107.04938	1.8
108.05315	0.3
109.02867	0.3
109.47911	0.3
110.91162	0.2
115.05463	0.8
117.07011	1.0
123.04469	0.5
127.03918	0.4
128.06175	1.5
129.06989	4.6
131.04886	0.6
131.07597	0.4
131.08556	5.8
133.06461	0.9
133.10126	0.7
141.06990	2.1
142.07732	0.4
143.08531	1.4
144.05675	2.0
145.06477	1.7
146.07289	1.0
147.04370	0.7
153.01822	0.5
153.06902	0.5
156.05659	0.4
157.06488	3.0
158.07225	0.5
159.08049	11.5
160.05101	0.4
161.05949	0.9
161.09633	2.1
162.07617	0.6
167.07004	2.4
169.06346	0.5
169.07599	0.8
170.07300	2.0
171.08063	2.5
172.05232	0.7
173.06033	1.2
174.06741	0.4
175.07504	1.1
178.06284	0.3
180.08662	1.1
187.07527	7.5
188.08238	0.5
189.05508	0.4
189.09068	3.3
190.06134	0.5
193.08675	0.7
198.06792	0.7
199.07545	1.4
201.05443	0.4
203.06975	1.5
204.07800	4.9
205.08571	0.5
206.09406	0.6
207.10225	0.5
216.07797	1.8
217.08498	0.4
218.09424	0.5
219.10191	1.9
221.08177	0.4
221.11690	1.7
231.10149	2.6
234.08949	0.4
237.11232	0.6
249.11208	100.0
250.11479	0.9
267.12286	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	600.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
57.03434	0.3
58.40878	0.2
69.03409	0.7
70.06582	0.3
71.60081	0.4
75.43584	0.3
79.62414	0.3
81.03391	0.4
85.02901	2.0
90.94011	0.3
91.05457	1.3
96.31660	0.3
97.02867	0.9
99.04449	0.3
105.07027	0.8
107.04942	1.1
115.05428	1.2
117.07022	0.7
127.03915	0.4
128.06212	1.6
129.06995	5.1
131.08556	6.4
133.06480	0.9
133.08801	0.3
133.10104	0.7
141.06984	1.6
142.07806	0.4
143.08604	1.4
144.05663	2.3
145.04903	0.4
145.06442	1.7
146.07222	0.8
147.04332	0.4
147.07990	0.4
153.01857	1.3
153.06966	0.8
156.05652	0.6
157.06488	3.0
158.07278	0.6
159.08049	11.0
161.05959	0.7
161.09615	2.8
162.07590	0.5
167.07034	2.4
169.06377	0.5
169.07620	0.7
170.07274	2.4
171.08026	2.4
172.05162	1.0
173.05984	1.7
174.06711	0.6
175.07544	0.9
177.05482	0.3
178.06096	0.3
180.08658	1.2
187.07545	8.5
187.09167	0.6
188.08250	0.6
189.05569	0.7
189.09097	4.2
190.06281	0.4
191.07016	0.4
193.08606	0.4
198.06784	0.7
199.07536	1.1
201.05504	0.7
203.07007	0.8
204.07802	5.1
205.08615	0.6
206.09415	0.4
207.10126	0.5
216.07866	1.7
217.08517	0.6
219.10185	2.2
221.11678	1.7
231.10114	2.7
233.11707	0.4
237.11197	1.0
249.11209	100.0
250.11516	0.9
266.80835	0.3
267.12341	2.0
314.54681	0.3
486.13742	0.3
596.06494	0.4
596.50024	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41803	0.2
59.11423	0.2
59.29511	0.2
61.26974	0.2
65.68798	0.2
70.06591	0.4
79.40957	0.3
81.03445	0.3
84.61736	0.2
85.02921	0.6
91.05460	0.9
93.21801	0.2
97.02856	0.8
105.06998	0.6
107.04934	0.9
110.35191	0.3
115.05454	0.8
116.06205	0.3
117.07002	0.8
119.39233	0.2
124.23722	0.2
128.06213	1.3
129.07005	4.2
131.04930	0.4
131.08565	5.4
131.19238	0.2
132.05722	0.3
133.06508	0.7
133.10100	0.3
136.89594	0.3
140.79909	0.2
141.06973	1.6
142.07759	0.3
143.08591	1.3
144.05670	1.9
145.06500	1.6
146.07219	0.7
147.04405	0.5
147.08011	0.4
153.01785	0.7
153.06918	0.6
157.06479	2.7
158.07268	0.8
159.08061	9.9
161.05959	0.8
161.09612	3.3
163.07506	0.3
167.07016	0.8
169.06361	0.5
169.07608	0.7
170.07237	1.5
171.08060	2.2
172.05170	0.7
173.06007	1.3
174.06778	0.5
175.07536	0.9
179.05653	0.3
186.06740	0.5
187.07541	8.7
189.05431	0.4
189.09096	4.1
193.08511	0.5
198.06703	0.7
199.07590	1.2
201.05470	0.4
201.09093	0.8
203.07013	1.4
204.07803	4.5
205.08536	1.1
207.10158	0.6
216.07846	1.5
218.09334	0.5
219.10130	2.8
221.08119	0.4
221.11768	1.5
231.10153	2.6
232.40134	0.3
233.11742	1.4
234.08975	0.3
237.11212	0.7
239.03000	0.3
249.11212	100.0
250.11563	0.9
251.12746	2.6
267.12286	4.3
331.26770	0.3
436.26617	0.3
439.74924	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14947	0.2
55.09229	0.2
58.43350	0.2
69.03429	0.7
69.52386	0.2
81.03385	0.2
85.02897	1.6
88.58147	0.2
91.05482	1.0
97.02881	0.8
105.07010	0.5
107.04925	0.6
115.05415	0.9
116.06209	0.4
117.06999	0.7
119.04920	0.2
121.06484	0.2
127.03938	0.3
128.06204	1.5
129.07011	3.5
131.04999	0.2
131.08566	5.2
132.05746	0.2
133.06454	0.8
133.10136	0.3
141.06975	1.4
142.07741	0.6
143.08533	0.9
144.05696	1.8
145.06500	1.2
146.07246	0.7
147.04440	0.4
147.07985	0.3
153.06985	0.2
156.05721	0.4
157.06491	2.0
158.07294	0.4
159.08049	10.4
161.05988	0.6
161.09608	2.4
162.07655	0.3
167.07025	0.7
169.06430	0.4
169.07660	0.6
170.07253	1.5
171.04460	0.2
171.08047	1.9
172.05199	0.8
173.06013	1.2
174.06757	0.6
175.07556	0.9
177.05467	0.2
178.06216	0.3
180.08633	0.4
181.06458	0.3
181.08701	0.2
185.05968	0.2
187.07538	7.7
188.08302	0.3
189.05513	0.3
189.09106	2.9
190.06255	0.2
191.07002	0.5
193.08624	0.2
198.06697	0.5
199.07567	1.0
201.05542	0.3
203.06992	1.1
204.07802	4.3
205.08554	1.0
206.09317	0.4
207.10234	0.4
216.07848	1.2
217.08618	0.4
218.09384	0.7
219.10121	1.8
221.08148	0.5
221.11728	1.5
230.44841	0.3
231.10179	2.4
233.11855	0.2
234.08865	0.3
237.11163	0.7
249.11211	100.0
250.11504	0.8
267.12277	5.5
411.16415	0.3
482.87659	0.2
496.06702	0.2
520.07159	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14947	0.2
55.09229	0.2
58.43350	0.2
69.03429	0.7
69.52386	0.2
81.03385	0.2
85.02897	1.6
88.58147	0.2
91.05482	1.0
97.02881	0.8
105.07010	0.5
107.04925	0.6
115.05415	0.9
116.06209	0.4
117.06999	0.7
119.04920	0.2
121.06484	0.2
127.03938	0.3
128.06204	1.5
129.07011	3.5
131.04999	0.2
131.08566	5.2
132.05746	0.2
133.06454	0.8
133.10136	0.3
141.06975	1.4
142.07741	0.6
143.08533	0.9
144.05696	1.8
145.06500	1.2
146.07246	0.7
147.04440	0.4
147.07985	0.3
153.06985	0.2
156.05721	0.4
157.06491	2.0
158.07294	0.4
159.08049	10.4
161.05988	0.6
161.09608	2.4
162.07655	0.3
167.07025	0.7
169.06430	0.4
169.07660	0.6
170.07253	1.5
171.04460	0.2
171.08047	1.9
172.05199	0.8
173.06013	1.2
174.06757	0.6
175.07556	0.9
177.05467	0.2
178.06216	0.3
180.08633	0.4
181.06458	0.3
181.08701	0.2
185.05968	0.2
187.07538	7.7
188.08302	0.3
189.05513	0.3
189.09106	2.9
190.06255	0.2
191.07002	0.5
193.08624	0.2
198.06697	0.5
199.07567	1.0
201.05542	0.3
203.06992	1.1
204.07802	4.3
205.08554	1.0
206.09317	0.4
207.10234	0.4
216.07848	1.2
217.08618	0.4
218.09384	0.7
219.10121	1.8
221.08148	0.5
221.11728	1.5
230.44841	0.3
231.10179	2.4
233.11855	0.2
234.08865	0.3
237.11163	0.7
249.11211	100.0
250.11504	0.8
267.12277	5.5
411.16415	0.3
482.87659	0.2
496.06702	0.2
520.07159	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.1
55.05478	3.2
55.05713	0.7
57.07061	5.9
59.04965	2.5
63.03893	0.7
67.05498	5.5
69.03427	7.0
69.07063	3.7
69.07347	0.9
71.60353	0.8
71.60712	1.1
79.05493	5.6
81.03376	1.5
81.07051	11.7
83.04951	2.0
83.08588	1.3
84.91147	2.8
85.06542	3.8
91.05476	12.1
93.07046	15.4
95.04962	5.9
95.08604	11.4
97.06508	1.7
99.57714	0.8
105.07024	20.6
107.04909	1.0
107.08599	10.8
109.06520	5.6
109.10147	5.0
111.08015	1.8
117.07013	3.5
119.08581	24.1
121.06484	4.3
121.10132	12.3
123.07320	0.9
123.08073	11.1
123.11701	0.8
125.05937	3.1
128.06165	2.0
129.06966	3.4
130.07747	1.2
131.08556	9.9
133.06432	2.5
133.10129	11.0
135.08043	9.2
135.11681	3.9
137.05971	1.2
137.09622	12.7
139.07515	2.0
141.06902	1.9
142.07759	5.7
143.08560	8.1
144.09337	1.6
145.06476	1.2
145.10112	13.2
147.06931	1.4
147.08037	20.9
147.11649	2.8
149.09622	4.0
151.07530	9.5
153.09004	1.2
155.08545	4.9
156.09303	4.0
157.10124	15.0
159.07986	2.9
159.11668	8.0
160.08818	0.8
161.09653	4.4
161.13280	4.7
163.11150	7.5
165.09109	46.8
166.07802	1.1
167.08591	2.1
168.09328	1.5
169.10114	6.2
170.10849	2.5
171.11700	8.2
173.09586	3.1
173.13295	3.8
175.11125	2.7
175.14796	1.0
177.09102	0.9
178.07495	1.0
179.08574	1.8
179.10587	1.1
180.09297	1.3
181.10168	4.2
181.12221	5.7
182.10840	2.3
183.11687	9.8
185.09579	0.8
185.13240	6.4
187.11168	2.6
187.14835	1.8
189.12720	4.1
191.10664	2.6
191.14285	1.7
192.09291	1.2
193.10237	1.3
195.11667	4.3
195.13446	1.2
196.12363	2.3
197.09457	1.1
197.13226	4.5
199.11125	2.5
201.12714	1.4
203.14304	16.5
206.10832	1.0
207.11665	2.5
207.13792	5.8
208.12389	1.0
209.13283	3.9
209.15120	1.0
211.11159	1.5
211.14742	4.0
213.12691	2.4
215.14323	1.2
217.25282	0.7
219.11670	1.2
219.13719	0.9
221.15349	100.0
223.14781	1.9
225.12755	1.0
225.16226	1.3
227.14224	1.0
229.12274	1.4
229.15900	1.0
231.13774	1.2
233.13387	1.4
233.15378	2.1
235.14722	1.8
237.12617	1.6
239.14316	1.1
239.17841	0.9
243.13768	0.9
247.14677	1.0
247.16940	15.5
251.14374	0.9
261.18521	1.0
263.17917	0.9
265.15665	0.8
269.18997	1.5
271.16949	1.2
281.18964	1.4
286.19037	1.1
287.20053	7.4
295.20255	0.9
299.20062	5.7
301.21609	1.5
302.20346	1.0
303.20203	2.5
311.20123	1.8
313.21436	1.6
325.21588	1.8
327.23193	2.5
344.33432	0.8
347.23514	0.9
365.24673	3.1
391.26248	8.8
419.29575	3.9
427.28391	6.7
441.30127	1.2
453.30136	2.5
507.34619	8.2
519.34674	2.4
534.69690	0.9
539.29193	1.2
543.34479	1.0
566.59021	1.0
581.40063	3.0
599.40924	80.5
600.41125	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01864	2.0
55.05502	7.7
57.07076	4.9
57.88622	1.0
59.05005	2.8
65.03931	1.5
66.48705	1.0
67.05498	11.2
69.03427	6.5
69.07072	5.9
69.94485	2.2
69.94901	5.6
71.28370	1.0
79.05486	13.5
81.03426	2.0
81.07049	12.7
83.04977	9.3
83.08598	5.0
85.06552	3.5
85.49895	1.0
87.49111	1.2
91.05463	16.3
93.07033	22.8
95.04951	10.1
95.08601	12.3
97.06532	5.3
98.21410	1.3
103.05464	1.8
105.07019	28.4
107.04972	2.7
107.08575	20.0
109.06494	8.6
109.10150	7.6
110.33576	1.1
111.08089	2.9
115.05457	2.5
117.07026	6.1
119.04957	1.6
119.08575	24.8
121.06497	7.1
121.10133	22.0
123.08064	9.9
123.11716	2.5
125.05953	1.7
125.09637	4.1
128.06230	4.8
129.07021	7.3
130.07773	3.0
131.08575	14.8
133.06496	3.3
133.10117	15.0
135.08032	8.9
135.11685	4.7
137.09589	5.7
139.07492	2.9
139.11191	2.3
141.06998	3.2
142.07773	8.5
143.08540	17.2
144.09319	4.6
145.10101	22.5
147.08038	11.3
147.11705	4.0
149.09583	11.0
149.13304	1.3
151.07547	9.0
153.07005	1.3
154.07861	1.3
155.08531	6.2
156.08234	1.1
156.09363	6.8
157.10104	20.4
158.10898	1.7
159.08044	8.3
159.11678	11.5
160.08730	1.1
161.09589	6.7
161.13263	4.0
163.11160	5.3
165.06979	2.6
165.09093	15.5
166.07889	1.2
167.08574	3.9
167.10632	10.0
168.09355	2.9
169.10100	10.6
170.10956	2.9
171.08047	1.8
171.11664	12.3
173.09648	4.6
173.13234	8.1
175.11191	4.8
175.14827	2.4
177.09125	3.4
177.12769	1.5
179.08574	4.0
180.09291	3.0
180.11322	1.0
181.10121	8.3
181.12222	3.5
182.10905	4.3
183.11703	9.9
184.12476	1.8
185.09590	1.6
185.13274	6.8
187.11209	3.3
187.14757	2.1
189.12674	5.6
191.10759	1.7
191.14322	2.1
192.09264	3.2
193.10146	4.7
193.11972	1.1
194.10924	3.9
195.08134	1.4
195.11638	9.0
195.13385	1.3
196.12498	3.4
197.13248	10.0
199.11176	3.5
199.14810	2.1
201.12799	2.6
203.08644	1.7
203.10529	1.2
203.14336	5.8
205.10124	2.0
206.10925	2.3
207.11714	6.0
207.13835	6.9
208.12512	3.0
209.13306	8.1
209.15373	3.0
210.14023	1.9
211.11176	2.3
211.14807	3.6
213.12755	2.8
215.14368	2.4
217.10120	2.0
219.11652	2.9
219.13776	1.7
220.12534	2.1
221.13266	6.7
221.15408	28.0
223.14807	4.4
225.12825	1.9
225.16446	3.0
227.14291	1.9
229.15891	1.4
231.11578	1.9
231.13953	1.5
232.12555	1.1
233.13280	2.7
233.15343	21.2
235.14828	3.5
237.12724	1.4
237.14769	2.3
239.14403	1.3
245.13235	2.3
247.14841	2.5
247.17001	2.4
248.15852	1.4
249.16460	2.3
251.14351	2.0
255.17496	1.4
259.14822	2.1
263.17853	1.5
265.15891	1.4
269.18909	1.8
273.16260	2.1
281.18945	7.3
286.19339	2.4
287.20380	2.1
289.19296	1.4
293.19003	1.2
295.20499	1.4
299.20209	4.2
311.20218	2.3
347.23630	1.1
349.21796	1.9
364.24039	2.3
365.24768	2.1
373.25299	2.8
377.12112	1.1
377.24603	1.3
391.26303	4.1
401.27344	1.1
415.28378	1.2
423.29321	1.6
425.83682	1.1
441.30048	1.9
484.66171	1.2
489.33658	2.5
507.34665	60.6
508.34750	1.3
514.94971	1.2
581.39972	4.9
599.40918	100.0
600.30719	1.1
600.41010	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	599.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85699	1.5
53.03936	5.3
55.01866	15.9
55.05504	25.6
57.03430	14.4
57.07065	11.8
59.05002	2.2
64.31935	1.6
65.03935	2.0
66.75991	1.5
67.05499	100.0
68.42427	1.7
69.03423	31.3
69.07059	12.9
71.01333	2.9
71.04979	7.2
71.60353	2.7
72.77761	1.9
73.02918	3.1
76.87045	1.6
79.05492	27.2
80.29530	1.6
81.03410	74.0
81.07051	37.2
83.04980	18.3
83.08628	15.0
85.02888	14.2
85.06519	4.1
91.05476	29.8
93.07035	22.3
95.04955	16.4
95.08597	14.9
97.02888	30.6
97.06526	6.7
97.10155	14.1
99.04430	7.4
105.03426	1.8
105.07014	15.3
107.04934	8.0
107.08601	14.7
108.06815	1.8
109.02874	6.9
109.06519	5.7
109.10149	58.7
111.04432	8.8
111.08064	5.9
113.05990	2.2
115.03896	3.4
117.07026	4.7
118.98030	1.4
119.08549	14.3
121.06445	2.6
121.10128	8.4
123.04424	3.1
123.08047	5.8
123.11709	2.1
125.02377	2.5
125.09621	14.3
127.03928	7.1
127.11206	3.5
129.05472	3.8
129.06985	6.0
131.08539	10.7
133.10114	9.1
135.08054	2.7
135.11659	4.1
137.05902	2.4
137.09590	6.5
142.07735	2.2
143.03377	6.9
145.10101	6.3
147.11655	7.0
149.09625	5.1
153.09154	3.6
155.10608	3.9
157.10135	6.8
159.11673	3.0
163.11165	4.2
171.06456	2.0
171.11676	2.6
173.11731	22.3
175.11203	4.7
181.12178	1.9
183.06421	2.1
187.11134	3.0
189.11220	6.2
191.10649	1.8
193.12216	11.1
197.11746	1.9
199.13382	2.2
207.13731	2.1
209.11647	4.0
211.13261	5.5
213.14851	1.7
223.13293	2.3
227.12787	8.4
229.14366	8.6
250.61635	2.0
255.15973	3.3
267.15640	2.6
269.13879	1.8
283.15417	2.3
299.14893	5.7
315.14410	2.9
355.17374	3.3
371.16849	4.2
437.25027	2.1
438.13712	1.8
439.26801	2.7
455.26990	1.8
525.26508	2.0
581.29834	3.0
582.30457	2.0
599.30731	32.7
599.40533	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	598.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87172	0.6
50.95117	0.5
50.99618	0.5
57.03426	1.1
69.03423	2.9
69.95081	3.4
71.04986	1.0
78.04697	0.7
79.05465	2.2
81.02975	1.0
81.03417	13.0
82.63906	0.5
83.58428	0.6
85.02901	10.3
91.05453	2.9
95.04955	1.8
97.02882	3.4
98.21459	0.7
99.04453	0.6
103.05441	1.2
105.07021	1.4
107.04957	8.7
109.02878	1.0
115.05432	4.5
117.07014	13.3
121.06525	0.7
123.04418	5.0
124.05183	1.9
125.05986	0.7
127.03888	1.5
128.06171	0.8
129.06993	2.8
131.04910	1.1
131.08569	2.9
133.06458	2.3
137.05940	0.6
141.06973	1.3
143.04689	0.7
144.05687	2.0
145.05002	2.3
145.06477	35.1
147.04350	1.1
147.08026	1.5
149.05988	0.8
151.03891	0.7
152.04707	0.7
152.77948	0.6
153.01804	0.8
155.06000	2.3
155.07095	0.9
156.05655	6.8
157.06474	1.6
159.08041	6.9
161.05963	4.8
162.07668	1.2
163.03900	0.7
167.07034	51.3
169.06436	0.7
173.05975	67.0
175.03877	0.9
175.07504	1.8
176.04553	0.7
177.05396	0.7
180.08688	4.6
181.04895	1.5
181.08624	0.6
183.06517	1.3
184.05144	1.5
187.07570	7.4
189.05331	0.6
190.06242	36.6
191.07056	3.2
193.08588	2.5
202.06224	4.2
203.07008	7.3
203.08665	0.9
205.08589	100.0
206.08928	1.2
207.06549	1.6
207.10143	0.9
209.08150	1.0
217.08589	39.8
218.09131	0.9
219.08124	1.1
219.10120	5.5
223.09604	2.2
231.08098	1.3
231.10185	1.2
235.09634	31.6
238.06296	0.6
245.09775	0.6
246.95917	0.6
247.07437	1.6
247.09665	7.2
248.08226	1.4
251.10635	0.7
261.08957	0.8
263.10733	1.2
264.07782	1.6
265.10706	40.7
269.08017	1.5
271.09750	1.7
276.07831	1.0
279.10156	1.4
281.07831	0.9
290.09375	0.8
291.10092	1.2
293.08075	1.4
296.10181	0.8
299.09277	1.3
307.09525	1.6
308.10593	0.8
311.12817	0.8
315.08585	4.7
316.09192	0.7
319.09467	1.3
323.12698	2.2
330.10944	7.1
331.11676	2.6
336.09805	1.1
337.10733	1.2
339.12277	1.4
343.11508	0.9
351.12201	3.5
352.12805	0.7
353.10117	1.2
356.12662	0.9
368.12186	0.9
371.14908	2.8
383.14841	10.5
395.10046	0.6
401.15936	15.4
419.16562	0.9
523.32336	0.6
583.05231	0.6
598.24115	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87172	0.6
50.95117	0.5
50.99618	0.5
57.03426	1.1
69.03423	2.9
69.95081	3.4
71.04986	1.0
78.04697	0.7
79.05465	2.2
81.02975	1.0
81.03417	13.0
82.63906	0.5
83.58428	0.6
85.02901	10.3
91.05453	2.9
95.04955	1.8
97.02882	3.4
98.21459	0.7
99.04453	0.6
103.05441	1.2
105.07021	1.4
107.04957	8.7
109.02878	1.0
115.05432	4.5
117.07014	13.3
121.06525	0.7
123.04418	5.0
124.05183	1.9
125.05986	0.7
127.03888	1.5
128.06171	0.8
129.06993	2.8
131.04910	1.1
131.08569	2.9
133.06458	2.3
137.05940	0.6
141.06973	1.3
143.04689	0.7
144.05687	2.0
145.05002	2.3
145.06477	35.1
147.04350	1.1
147.08026	1.5
149.05988	0.8
151.03891	0.7
152.04707	0.7
152.77948	0.6
153.01804	0.8
155.06000	2.3
155.07095	0.9
156.05655	6.8
157.06474	1.6
159.08041	6.9
161.05963	4.8
162.07668	1.2
163.03900	0.7
167.07034	51.3
169.06436	0.7
173.05975	67.0
175.03877	0.9
175.07504	1.8
176.04553	0.7
177.05396	0.7
180.08688	4.6
181.04895	1.5
181.08624	0.6
183.06517	1.3
184.05144	1.5
187.07570	7.4
189.05331	0.6
190.06242	36.6
191.07056	3.2
193.08588	2.5
202.06224	4.2
203.07008	7.3
203.08665	0.9
205.08589	100.0
206.08928	1.2
207.06549	1.6
207.10143	0.9
209.08150	1.0
217.08589	39.8
218.09131	0.9
219.08124	1.1
219.10120	5.5
223.09604	2.2
231.08098	1.3
231.10185	1.2
235.09634	31.6
238.06296	0.6
245.09775	0.6
246.95917	0.6
247.07437	1.6
247.09665	7.2
248.08226	1.4
251.10635	0.7
261.08957	0.8
263.10733	1.2
264.07782	1.6
265.10706	40.7
269.08017	1.5
271.09750	1.7
276.07831	1.0
279.10156	1.4
281.07831	0.9
290.09375	0.8
291.10092	1.2
293.08075	1.4
296.10181	0.8
299.09277	1.3
307.09525	1.6
308.10593	0.8
311.12817	0.8
315.08585	4.7
316.09192	0.7
319.09467	1.3
323.12698	2.2
330.10944	7.1
331.11676	2.6
336.09805	1.1
337.10733	1.2
339.12277	1.4
343.11508	0.9
351.12201	3.5
352.12805	0.7
353.10117	1.2
356.12662	0.9
368.12186	0.9
371.14908	2.8
383.14841	10.5
395.10046	0.6
401.15936	15.4
419.16562	0.9
523.32336	0.6
583.05231	0.6
598.24115	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.5
57.07077	13.1
67.05493	14.0
69.03436	13.5
69.07068	6.1
70.54404	7.2
70.54762	2.2
71.08621	9.0
79.05481	6.3
81.07045	13.6
83.04954	4.6
83.08595	2.8
84.35074	2.5
85.10207	2.6
91.05462	9.6
93.07056	7.8
95.04967	8.4
95.08584	7.3
97.07159	2.1
105.07059	11.4
107.04935	3.1
107.08585	7.1
109.02871	3.2
109.06461	2.8
114.92065	2.5
117.07012	5.6
119.08565	6.7
121.06535	4.9
121.10114	4.6
128.06216	4.5
129.06992	5.7
129.94850	2.3
131.08553	8.3
133.06529	3.9
133.10147	3.2
135.08041	5.2
141.06998	4.5
142.07776	5.7
143.08575	5.8
145.06483	5.6
145.10117	5.6
152.32774	2.6
155.08578	6.8
157.10114	6.6
159.08043	11.1
161.05975	2.9
161.09659	3.2
164.85799	2.3
165.06960	15.2
166.07710	6.3
167.08549	7.0
169.10120	7.1
171.08031	6.4
171.11650	3.3
173.09734	5.2
178.07762	11.4
179.08537	16.4
180.09305	9.9
181.06506	4.4
181.10121	13.2
182.07463	2.5
183.11667	4.8
185.09644	10.7
186.10643	2.4
187.11090	2.6
189.06966	3.9
190.07750	4.2
191.08545	10.9
192.09375	15.5
193.10051	25.8
194.10832	6.7
195.08060	9.6
195.11664	17.4
196.08749	3.8
197.09613	10.0
197.13297	4.9
199.11177	5.5
201.09183	2.8
202.07794	3.8
203.08566	7.4
204.09328	6.5
205.10139	27.9
206.10909	13.2
207.08054	5.3
207.11656	18.8
208.08810	11.9
208.12549	3.2
209.09589	32.7
209.13255	4.2
210.10352	8.2
211.11113	13.9
212.11890	3.0
213.09137	4.5
215.08603	10.3
215.10703	12.5
216.09364	3.8
217.10172	7.2
218.07249	7.2
218.10939	6.4
219.08115	13.4
219.11728	11.7
220.08832	9.7
220.12395	15.5
221.09665	19.1
221.13168	8.9
222.10335	11.0
223.11189	29.8
223.14713	5.6
224.08357	2.6
224.11848	4.0
225.09138	6.4
225.12715	8.2
227.10744	2.9
229.10080	2.8
230.10950	17.2
231.11674	3.6
232.08836	5.2
233.09610	61.4
233.13258	7.6
234.10362	13.1
235.11163	27.3
235.14783	25.4
236.11960	10.9
237.12634	5.9
239.10635	5.8
245.09694	2.6
245.13214	18.9
246.10312	9.2
247.11128	18.6
248.11981	43.2
249.09126	9.5
249.12639	11.5
250.13390	2.7
251.10657	8.2
251.14279	15.2
253.12245	7.0
253.15858	10.3
258.10400	7.1
259.11258	2.5
261.09079	19.8
261.12766	8.2
262.09836	7.7
262.13535	5.0
263.14310	100.0
264.11575	3.9
264.14688	3.9
265.12231	6.0
266.13037	2.7
267.10187	4.3
267.13885	4.6
273.12738	10.3
275.10645	7.8
276.11478	24.4
279.13593	11.4
281.12341	4.1
281.15387	35.8
291.13766	93.8
292.14111	4.8
293.11584	3.5
305.15210	3.7
309.14835	85.7
310.15125	6.5
325.32800	2.7
327.15921	10.2
333.14850	6.2
351.15994	5.8
369.16788	8.3
442.98703	2.4
537.35352	3.9
597.37720	3.4
597.45825	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	596.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37341	3.0
55.01856	10.0
55.05260	4.4
55.05510	49.9
57.03425	22.5
59.04980	6.3
60.42012	2.9
61.02918	5.6
67.05503	100.0
69.03414	9.0
69.07071	10.8
71.04984	7.2
71.59903	5.2
73.02914	6.7
79.05497	23.8
81.03416	20.3
81.07050	44.6
83.04978	16.5
83.08610	21.4
85.02901	31.4
85.06542	9.6
86.62147	3.0
87.04446	12.0
87.57654	3.3
91.05470	13.1
93.07053	21.5
95.04945	8.7
95.08620	18.9
96.96114	3.0
97.02888	9.3
97.06520	9.2
97.10165	41.1
99.08115	2.9
103.03938	12.9
105.07013	9.1
107.04992	7.9
107.08582	21.1
109.10149	87.8
111.04438	7.0
111.08075	6.9
117.07023	4.6
119.08588	11.4
121.10155	5.5
123.04415	4.3
125.09631	53.2
127.03844	3.8
131.08560	6.4
133.10121	3.4
135.11703	9.4
143.10667	11.5
145.10144	7.3
147.11635	3.1
153.12672	15.9
163.11253	15.7
173.09654	4.1
173.10088	4.1
173.11705	41.1
181.04802	3.8
181.12225	6.6
191.10725	7.6
193.12067	3.3
199.13260	11.2
209.11731	12.0
217.14301	6.9
227.12790	20.1
229.14317	76.6
245.13905	5.1
257.13858	31.9
283.15372	22.7
301.11505	4.8
301.16446	57.4
319.17502	13.0
396.54233	3.2
399.23996	6.4
466.32272	3.8
596.30914	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	596.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	0.6
57.98804	0.8
58.99582	13.6
67.05501	1.1
69.03428	0.6
69.07063	0.7
70.56255	1.6
73.01115	0.6
74.00659	0.5
76.02225	76.6
76.04004	2.1
77.28405	0.4
79.05470	0.8
80.05025	1.1
81.07040	2.4
81.25209	0.4
83.06103	1.5
84.04501	10.3
85.02905	0.9
86.99049	3.2
88.02216	1.2
91.05494	1.2
93.07054	1.7
93.15219	0.4
95.04956	2.4
95.08600	2.6
97.06516	1.1
105.07024	2.6
107.08615	2.1
109.06522	5.7
109.10159	2.4
111.08189	0.4
111.85210	0.4
112.86433	0.4
114.03743	0.5
116.01672	20.6
117.07016	0.6
119.04961	0.5
119.08591	3.9
121.06523	0.7
121.10139	1.5
123.04445	0.9
123.08073	3.4
123.11718	1.1
124.02202	0.4
125.09637	0.9
127.66008	0.4
129.06653	1.4
130.04990	7.5
131.08585	1.2
133.10129	1.9
135.08067	0.9
135.11649	0.7
137.05930	2.6
137.09666	1.2
139.11148	2.3
141.04822	0.6
142.03224	7.3
143.08586	1.3
144.01135	13.1
145.10149	2.2
147.08025	0.9
147.11700	2.0
149.09616	1.1
151.02092	0.6
151.07497	0.7
151.11166	1.2
153.01823	0.7
155.08571	0.6
157.10158	0.6
159.08118	1.3
159.11700	0.8
161.09653	1.5
161.13332	0.5
162.02196	46.9
163.11215	1.3
165.09103	0.8
165.12785	1.6
167.05266	1.9
167.07056	0.5
169.10132	3.0
170.02687	3.2
171.11655	2.5
173.09625	1.6
175.11169	1.2
177.03531	0.9
179.04845	100.0
183.11685	0.7
185.13246	1.5
187.05301	3.1
187.11201	1.8
187.14778	2.0
189.12685	2.1
191.10660	0.6
195.04747	3.0
201.16447	0.8
205.15872	0.9
211.10725	0.5
211.14841	2.1
213.12691	1.0
215.04926	1.8
216.03322	0.9
219.17337	0.7
229.15817	6.3
233.05891	12.3
234.48473	0.5
245.05878	2.9
247.16928	21.2
248.17307	0.7
253.15903	0.7
261.13116	1.3
271.16879	2.9
273.18509	0.8
289.17889	3.8
290.07983	0.6
291.06427	1.7
295.10483	0.5
302.00769	0.5
303.14288	0.6
308.09094	39.4
313.21802	0.5
329.15634	3.0
347.16791	3.4
364.19305	2.0
392.19116	0.5
399.72247	0.4
449.20926	4.3
467.22073	12.9
521.23181	6.0
554.03833	0.5
596.26239	20.3
597.27051	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.7
57.08276	0.5
57.98767	0.7
58.99287	0.9
58.99583	17.0
59.05006	0.5
62.83258	0.4
67.05496	1.7
69.07050	0.5
70.06584	0.8
70.94262	1.3
71.04995	0.6
76.02224	75.7
76.03969	2.8
79.05492	1.3
80.05030	0.6
81.07055	2.1
83.05005	0.7
83.06089	1.0
84.04498	10.9
85.02905	1.0
86.09708	0.8
86.99043	4.1
88.02197	1.5
91.05469	1.2
93.07043	1.7
95.04957	5.2
95.08609	1.6
97.02882	0.5
97.06519	1.1
99.34805	0.4
105.07027	1.5
107.04958	0.6
107.08594	1.8
107.32258	0.4
109.06511	7.8
109.10146	3.8
111.08078	1.4
114.03725	0.7
116.01671	20.0
117.07000	0.5
119.08562	2.6
121.06483	1.0
121.10159	1.3
123.04443	1.9
123.08039	2.1
123.11718	1.3
124.04705	0.5
125.09642	1.4
130.04996	6.6
131.08577	1.3
132.01198	0.5
133.10167	2.3
135.08089	1.2
135.11699	0.4
137.05984	2.3
137.09627	1.5
139.03865	0.6
139.11143	2.5
141.04793	0.8
142.03217	7.0
143.08574	1.3
144.01140	11.3
145.10098	2.1
146.02744	0.7
147.08049	1.2
147.11670	1.9
151.02205	0.5
151.11201	1.7
153.01826	2.1
155.02023	0.4
155.08554	0.8
156.09422	0.7
157.10077	0.5
159.08022	0.8
159.11729	1.4
161.05983	1.1
161.09647	1.6
161.13235	0.6
162.02197	43.0
163.07574	0.7
163.11227	1.1
165.12779	1.1
167.05286	1.3
167.07123	0.7
169.10092	2.9
170.02690	3.4
171.11717	1.3
173.09639	1.5
173.13263	0.5
177.03665	1.0
177.05484	1.3
179.04846	100.0
180.05072	0.8
181.10175	0.6
183.11748	0.8
185.09694	0.9
185.13272	0.9
187.05339	2.4
187.11185	2.0
187.14830	2.3
189.12810	1.1
195.04715	2.9
196.12404	1.0
201.12732	0.5
201.16393	0.9
205.15852	0.9
211.11194	0.6
211.14772	2.6
213.12729	0.8
214.13503	0.6
215.04883	2.0
215.14296	0.5
216.03195	0.7
227.14177	0.6
229.15892	4.8
233.05891	11.0
245.05904	2.7
247.16917	42.2
248.17210	0.6
253.15918	1.2
255.17543	0.6
261.13068	2.7
271.16956	3.7
272.17773	0.6
273.18616	0.6
287.14639	0.6
289.18106	1.3
290.08020	1.3
291.06561	1.1
303.14078	0.9
308.09088	36.0
313.17987	0.9
329.15735	2.9
347.16751	5.4
364.19476	5.1
378.62296	0.6
449.21252	2.6
467.22064	13.1
481.46628	0.5
521.23236	1.3
596.26392	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	595.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28017	0.7
53.03923	1.3
55.05513	6.9
57.03433	7.3
57.07077	1.1
65.03941	1.0
67.05499	33.6
69.07072	7.0
69.86820	5.4
71.04986	1.9
78.95203	0.8
79.05486	14.6
81.03407	5.1
81.07051	27.9
82.29491	0.9
83.04961	1.5
83.08609	3.2
85.02904	1.4
91.05471	8.2
91.44620	0.7
93.07037	20.0
95.04961	2.5
95.08601	23.0
97.06509	1.5
98.20782	1.6
98.98462	10.7
99.04495	1.2
105.07034	5.9
107.04984	0.9
107.08594	9.4
109.02875	4.5
109.06481	1.0
109.10159	8.0
116.04735	0.8
116.99490	1.0
117.06998	1.6
119.08590	4.8
121.10138	7.3
123.08064	1.2
123.11685	2.8
127.03924	1.6
131.08525	2.0
133.10121	3.4
135.11674	4.2
139.03857	1.2
145.10091	3.5
147.11670	1.9
149.13226	2.3
155.01070	1.8
159.11729	1.0
161.13245	1.1
163.05994	1.3
171.11514	0.9
173.01993	0.9
173.13249	2.3
187.14787	0.8
190.35243	0.8
192.15414	0.9
261.03687	3.7
261.22137	3.4
317.06171	1.0
317.24780	1.8
335.07449	1.3
335.25772	100.0
336.26160	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1652
Annotation	kaempferol-7-O-neohesperidoside
Peak:m/z	Relative Intensity
54.31591	0.1
57.03424	0.1
59.81290	0.1
60.07410	0.1
67.01854	0.5
68.99801	0.4
69.03433	0.1
70.05684	0.1
70.16626	0.5
71.05000	0.6
71.05306	0.1
71.58696	0.1
73.02885	0.1
85.02898	1.1
89.03926	0.1
95.04948	0.1
95.47226	0.1
96.37518	0.1
97.02877	0.1
98.21513	0.1
107.04959	0.1
109.02864	0.1
117.54156	0.1
119.04910	0.2
127.03878	0.1
129.01816	0.2
129.05452	0.2
135.04401	1.6
137.02336	0.3
147.63750	0.1
153.00554	0.2
153.01807	4.5
161.02301	0.5
171.02896	0.8
179.03357	0.3
185.05898	0.1
213.05510	0.2
241.04922	0.6
259.05936	0.1
260.03940	0.1
269.04443	0.3
271.05988	11.3
287.05466	100.0
288.05853	1.0
319.62228	0.1
329.06699	0.1
433.11212	0.2
449.10907	0.5
534.30243	0.1
595.16296	0.4
621.11835	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	595.1653
Annotation	Kaempferol-3-Glucoside-3''-Rhamnoside
Peak:m/z	Relative Intensity
55.01861	0.9
55.05498	2.0
55.09861	0.9
57.03436	12.0
66.48402	0.8
69.03422	8.3
69.59959	1.4
69.60360	4.8
70.06577	1.6
71.01341	1.5
71.04991	61.8
73.02915	9.5
75.04469	2.7
78.66750	0.9
83.04977	10.3
85.02903	72.5
87.04493	1.8
95.04932	2.3
99.04451	4.0
106.41940	1.0
109.02879	1.0
111.04443	5.9
113.06007	2.0
117.05500	8.5
119.64041	0.8
121.02821	0.9
127.03883	2.1
129.05472	22.6
135.04436	1.1
137.02370	4.9
147.06496	6.3
151.46065	0.8
153.01842	3.4
153.05463	2.2
155.08112	1.1
163.03873	1.4
163.06000	11.2
165.01880	1.5
201.05498	1.7
201.07434	0.9
220.19305	1.1
229.05022	3.1
239.09145	2.6
257.04480	3.1
257.10229	1.2
267.14362	0.9
275.85602	1.0
285.03802	1.4
287.05438	5.1
302.04025	1.7
303.04984	100.0
315.05029	11.2
316.05759	1.5
327.04962	3.3
329.06470	1.4
339.23935	0.9
341.06573	3.3
345.06012	24.5
353.06378	1.2
367.08105	2.3
369.06052	8.0
395.07599	6.7
413.08673	15.5
431.09827	8.9
449.10861	26.3
595.16437	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1652
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03902	0.2
55.01855	0.3
55.57639	0.1
57.03437	1.7
61.02914	0.5
65.03930	0.2
67.01839	0.2
68.99815	0.2
69.03411	0.6
71.04996	10.7
72.74036	0.2
73.02914	0.4
75.04478	0.4
79.70438	0.2
81.03409	0.4
83.04977	0.4
85.02902	13.4
87.04458	0.4
87.41193	0.2
97.02882	1.1
99.04439	0.5
104.22324	0.2
107.04933	0.2
109.02844	0.4
111.00810	0.5
111.04487	0.2
112.33263	0.2
121.02869	1.7
127.03900	0.6
129.05478	3.6
133.02858	0.2
137.02264	0.2
145.04942	0.5
147.04402	0.3
147.06529	1.0
153.01822	2.6
157.06360	0.2
165.01825	1.2
183.02893	0.6
193.49944	0.2
196.53981	0.2
212.09055	0.2
213.05453	0.8
231.06552	0.4
241.04967	0.7
253.86462	0.2
258.05209	0.7
259.06119	0.4
280.04962	0.2
287.05487	100.0
288.05701	1.0
329.06445	0.3
449.10840	0.6
589.46423	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1652
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03923	0.2
55.01851	0.2
55.05499	0.2
57.03433	1.6
58.62289	0.1
59.72876	0.2
61.02907	0.6
67.60799	0.1
68.99789	0.3
69.03419	1.2
69.37841	0.8
69.38271	0.6
70.06604	0.1
71.04987	9.8
73.02889	0.4
75.04449	0.4
81.03397	0.5
83.04965	0.6
85.02898	14.5
87.04452	0.5
97.02885	1.5
99.04453	0.3
107.04959	0.3
109.02850	0.5
111.00780	0.6
111.04439	0.3
121.02854	1.6
127.03870	0.8
129.05473	3.4
133.02859	0.4
137.02333	0.6
139.03864	0.2
145.04967	0.7
145.06462	0.2
147.04362	0.5
147.06514	0.7
153.01808	2.7
157.06593	0.2
161.05943	0.1
165.01805	1.1
171.04356	0.2
183.02834	0.5
197.06110	0.2
213.05467	0.9
231.06511	0.7
241.04837	0.9
258.05157	0.8
259.06134	0.3
268.57013	0.2
269.04395	0.2
287.05469	100.0
288.05807	1.1
303.04901	0.7
329.06693	0.3
449.10678	0.6
595.21411	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1652
Annotation	Vicenin-2
Peak:m/z	Relative Intensity
55.15132	2.5
55.33742	2.5
67.90685	2.4
68.50134	2.1
70.96114	2.7
70.96487	7.9
73.02906	3.2
81.03396	3.7
81.84350	2.2
85.02893	6.5
93.03377	2.7
107.04935	3.1
109.02882	3.5
111.04456	2.3
119.04942	6.0
119.62673	2.1
121.02859	26.6
123.04419	7.1
127.03928	4.6
139.03850	2.9
151.03972	2.7
153.01849	7.4
155.03372	6.0
159.64568	2.8
175.03830	4.0
179.03400	3.5
189.01833	5.3
191.03387	7.1
195.02892	5.4
199.04025	3.1
203.03400	7.7
207.02855	9.1
217.04924	3.5
219.02917	4.4
221.04539	2.3
229.05081	2.8
233.04300	4.2
273.36771	2.7
279.06448	5.1
280.07327	3.0
281.08112	4.6
283.06052	7.4
294.05142	17.4
295.06000	73.3
295.09329	4.3
296.06558	7.7
297.07529	10.3
307.05969	52.2
308.06802	15.0
309.07571	12.3
310.96280	3.0
313.07083	7.2
319.06085	6.5
319.09872	2.8
320.06760	4.1
321.07587	26.9
322.08228	13.3
323.05649	4.7
323.09082	5.5
325.07019	100.0
333.07504	7.3
335.09149	15.9
336.06085	3.4
337.07047	62.3
345.07449	2.9
347.09201	11.5
349.07071	27.1
351.08618	21.2
355.08029	21.1
357.07559	3.4
361.06985	15.1
361.10754	2.7
363.08572	9.8
365.10345	13.4
367.08466	3.5
373.07172	3.6
375.08618	13.8
379.03345	3.5
379.08072	45.6
385.06796	5.2
389.10336	4.6
391.08063	28.7
403.08112	25.0
409.09103	40.0
415.08282	3.6
421.09003	22.1
425.08328	3.7
427.10278	36.2
439.10172	29.6
445.10602	7.9
445.76605	2.6
457.11319	96.5
463.10190	7.0
475.12253	23.8
481.11209	28.8
487.10190	4.3
493.11102	3.6
499.12344	22.7
505.11566	6.1
511.12262	27.7
523.12286	25.2
529.13574	13.8
541.13348	31.6
559.14404	28.8
577.15588	13.6
595.16327	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	595.1445
Annotation	CHEBI:75672
Peak:m/z	Relative Intensity
51.06450	0.5
52.00986	0.6
53.00308	0.6
53.03948	0.7
55.01879	1.8
55.57849	0.6
56.96562	1.0
57.03415	0.5
58.67912	0.5
61.02946	0.7
67.05502	1.0
68.99783	4.8
69.03426	1.8
69.70191	2.0
69.70605	1.6
73.57221	0.6
79.01862	0.8
79.03048	0.5
79.05499	0.7
81.03419	4.5
81.06971	0.6
85.02896	2.9
90.09661	0.6
90.61814	0.6
91.05474	1.1
95.04966	1.5
97.02862	1.7
98.21614	0.5
98.97600	1.1
99.04456	2.0
103.05494	0.7
105.03409	1.0
107.04947	2.4
109.02859	4.1
111.00803	3.5
111.04436	2.4
116.98608	0.9
119.04952	0.9
121.02886	0.7
123.04424	26.9
125.02316	0.8
127.03909	100.0
128.04289	0.6
128.98596	0.6
131.04887	1.0
133.02827	1.0
135.04405	17.5
137.02321	1.9
137.05925	1.1
139.03896	74.1
140.04192	0.7
141.06917	0.7
143.04848	0.6
147.04382	6.0
149.02301	2.7
149.05980	1.5
151.03889	20.2
153.01823	8.0
153.05511	0.6
155.03362	0.5
155.04814	0.8
157.06442	0.8
159.04402	2.3
161.05972	2.4
163.03894	23.4
165.05423	5.0
167.03421	5.1
169.04976	1.2
169.06441	0.9
171.04370	0.7
173.02890	0.8
173.05971	1.5
175.03880	7.0
177.05495	5.5
179.03400	16.0
181.04927	2.5
181.06413	1.0
183.04379	0.7
185.05966	1.8
187.03923	3.3
189.05452	2.0
191.03381	10.5
193.01297	1.9
193.04939	3.6
197.05986	2.0
199.03976	1.2
201.05444	4.7
203.03366	15.2
203.07047	1.4
205.04948	2.9
207.06540	0.8
213.05458	4.4
215.03398	1.6
215.06888	1.1
217.05006	2.6
219.01645	0.6
221.00725	1.5
223.05675	0.5
227.03503	0.9
229.04944	7.7
231.06442	2.3
233.04445	5.6
241.04967	2.2
243.06552	3.3
244.99850	0.7
245.04462	8.6
247.02158	0.9
247.06003	23.4
251.05356	1.1
253.04727	1.3
255.06511	0.7
257.04459	11.3
258.05060	1.5
259.02194	0.6
259.05969	6.6
262.05090	0.8
263.00720	1.4
263.05530	4.6
269.04413	3.3
271.03162	0.6
271.05997	9.9
273.07620	1.2
275.05496	19.0
275.09970	0.8
277.03381	0.8
283.05930	4.5
287.05484	33.1
288.05676	0.7
289.07065	10.8
291.08643	9.2
299.05417	9.4
301.07028	10.4
303.01184	2.2
305.06549	6.0
307.08102	6.5
317.06537	7.1
319.08026	1.2
343.07864	1.2
407.07166	1.4
409.09195	10.9
420.04129	0.7
425.08643	12.3
427.10245	8.7
429.04987	0.8
437.08597	0.6
439.09567	0.6
443.09799	7.8
451.09766	1.6
551.08679	0.9
595.17468	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00326	0.5
55.01863	1.0
67.01865	0.8
67.05518	0.8
68.99786	5.0
71.34518	0.6
81.03413	3.3
91.05483	0.9
95.04959	1.2
97.02893	0.6
99.04474	0.7
105.03377	0.8
107.04980	0.5
109.02877	3.9
111.00788	6.7
111.04447	2.1
119.04951	1.7
120.05464	0.5
121.02859	0.8
123.04418	31.0
125.02366	0.7
127.03908	100.0
128.04254	0.6
133.02852	1.3
135.04399	2.8
137.02295	0.7
139.03891	70.9
140.04247	1.0
145.06400	0.8
147.04407	10.1
149.02330	2.0
151.03889	24.2
151.28595	0.5
153.01825	3.0
155.03349	1.7
157.06462	0.9
159.04431	1.5
161.05977	2.3
163.03900	6.4
164.73383	0.5
165.05466	7.7
167.03403	4.9
169.06497	0.8
171.04285	1.2
173.05949	0.9
174.78735	0.5
175.03891	16.1
177.05460	4.5
179.03383	32.1
180.03665	0.7
181.04961	1.4
183.04408	1.1
183.76665	0.5
185.05931	2.2
187.03862	1.2
189.05481	4.2
191.03372	10.5
191.07004	0.7
191.77289	0.5
193.04924	3.3
197.05980	0.6
199.03853	1.1
201.05435	4.7
203.03386	23.8
205.04868	1.2
207.06516	1.4
211.04039	0.5
213.05446	4.3
215.03418	1.2
215.06886	0.7
217.04974	3.7
219.06476	1.1
221.04303	0.7
225.05438	0.6
229.04953	3.8
231.06500	2.5
233.04395	5.9
241.04965	4.0
243.06549	0.6
245.04431	9.7
247.05957	2.1
251.05438	0.9
253.04991	0.8
257.04434	13.3
258.04913	0.6
259.05948	3.5
263.05499	8.8
269.04443	4.5
271.06070	3.2
273.03998	0.6
273.07428	1.4
275.05466	24.7
276.05576	0.8
283.05936	0.7
287.05490	58.0
288.05737	1.9
289.06802	0.8
291.08606	18.9
299.05481	16.6
301.06830	1.0
303.01550	0.7
303.08490	1.8
305.03149	0.6
305.06516	11.5
311.05469	1.0
317.06519	14.7
318.06635	0.7
325.06924	0.6
379.07718	0.5
407.06757	0.6
409.09158	7.1
425.08636	19.5
426.09088	0.9
427.05002	0.5
427.10205	6.3
435.99631	0.5
439.09955	0.8
443.04260	0.6
443.09732	9.0
451.09998	1.7
455.09586	1.3
457.10959	0.6
552.37164	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.144
Annotation	Prodelphinidin B3
Peak:m/z	Relative Intensity
53.03946	0.7
55.01875	1.4
62.12263	0.5
65.03944	1.2
68.99785	5.2
70.06565	0.5
70.84510	1.1
81.03400	2.8
85.02892	1.0
89.03974	0.8
95.04953	1.7
99.04443	1.2
105.03375	0.5
107.04953	3.9
107.15224	0.5
109.02875	4.0
111.00798	2.7
111.04453	2.4
119.04895	0.7
121.02861	2.1
123.04418	23.7
127.03907	100.0
128.04263	0.6
131.04918	1.7
133.02840	1.0
135.04407	29.0
137.02338	1.8
139.03889	83.0
141.01785	0.7
141.06960	0.7
145.02840	0.5
145.06450	0.9
147.03413	0.6
147.04405	4.0
148.94888	0.4
149.02324	2.6
149.05956	2.2
151.03893	15.3
151.05115	0.9
153.01785	1.9
153.05469	0.7
153.06909	0.6
155.03384	1.4
155.04852	0.9
157.06470	0.7
159.04390	2.6
161.05945	1.7
163.03894	37.7
165.05460	3.1
167.03383	6.7
169.04906	1.4
169.06464	1.2
173.06017	2.5
175.03859	3.7
175.07585	0.6
177.05446	4.9
179.03369	9.1
181.04985	3.2
183.04382	1.2
185.05891	1.3
187.03871	5.5
187.07559	0.8
189.05519	2.4
191.03374	10.4
193.04898	3.8
195.06502	0.6
197.05966	3.1
201.05475	7.3
203.03386	9.6
203.06976	2.1
205.04910	3.0
207.02884	0.6
213.05502	2.4
215.03450	1.0
215.06929	2.4
217.04935	2.4
219.06383	1.1
221.00893	0.9
223.06058	0.6
225.05392	1.7
229.04950	8.3
231.06470	1.9
233.04446	5.9
241.04840	1.8
243.06494	3.8
245.04425	6.8
247.06010	38.9
251.05444	1.8
253.04994	1.1
255.06561	2.7
257.04449	12.1
258.05191	0.8
259.05994	8.6
263.05508	1.6
265.04834	0.7
269.04340	1.7
271.06000	16.7
273.03723	0.5
273.07693	1.2
275.05472	17.7
283.05991	8.2
287.05475	24.1
289.07062	14.7
291.05518	0.9
291.08612	5.5
295.06192	0.7
299.05484	6.0
301.07059	16.4
303.05081	0.6
305.06503	3.0
307.08148	10.4
313.06992	0.7
317.06595	2.7
319.08075	1.1
323.05447	0.6
325.07001	1.3
337.06842	0.7
407.07303	1.7
409.09180	15.9
421.09027	0.6
425.03192	0.6
425.08682	8.7
427.10190	12.0
439.10013	0.9
443.09866	6.4
451.09943	1.8
457.11096	0.8
559.12988	0.6
595.08820	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.6
55.01871	6.8
55.05513	34.1
55.72134	3.1
57.03429	14.2
57.07069	8.9
58.49479	3.3
59.04999	12.2
63.17259	2.8
65.03930	3.6
67.05503	100.0
69.07068	24.4
70.82304	3.1
71.05000	16.1
71.60326	3.3
72.55923	3.8
79.05491	60.1
81.03407	15.8
81.07056	77.2
83.04981	8.1
83.06629	3.4
83.08615	22.7
85.02921	3.3
85.06541	10.3
87.04469	4.0
91.05457	39.7
93.07040	64.3
95.04978	14.8
95.08606	58.3
96.08962	3.7
97.06532	10.8
97.10170	15.1
105.07025	36.6
107.04932	6.3
107.08595	35.3
109.06534	10.1
109.10152	29.7
111.08064	7.9
117.07021	11.7
119.08580	27.1
121.06487	8.3
121.10127	41.3
123.08073	9.9
123.11666	6.5
125.09644	11.5
129.07004	9.6
131.08574	26.7
133.06465	3.5
133.10133	20.3
133.96292	3.3
135.08014	7.4
135.11688	26.6
137.09563	6.3
143.08557	9.3
145.10101	21.6
147.11668	13.0
149.09627	16.2
149.10719	3.9
149.13286	6.3
153.12746	4.9
157.10120	6.6
159.11684	13.0
161.13280	6.5
163.11223	7.5
169.10132	6.0
171.11732	7.6
173.09636	5.3
173.11809	6.1
173.13220	7.8
175.11156	6.4
183.11731	6.2
185.13286	4.8
187.14796	5.9
189.11234	3.7
191.10577	6.8
193.12221	6.9
199.13246	4.4
199.14830	4.1
211.13203	7.0
227.12770	14.3
229.14342	5.4
243.21254	3.2
249.14883	4.1
259.15485	13.4
261.22159	13.1
267.15805	8.0
277.21729	6.7
287.20303	4.5
289.21677	4.5
299.23779	4.0
313.27762	4.6
314.27701	4.8
315.18057	10.1
335.25916	22.8
351.24985	4.6
363.25403	10.3
423.27402	3.7
433.30698	5.8
451.32419	8.4
469.33337	6.4
489.35748	21.3
525.36005	11.0
543.36823	39.2
561.37738	29.6
575.39325	39.0
593.40765	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95052	2.7
50.97883	2.8
53.03931	11.3
53.52827	2.4
53.77910	2.7
55.01863	21.6
55.05507	49.9
56.36108	3.2
57.03449	14.5
65.03925	3.3
67.05500	88.9
69.03418	12.8
69.07056	34.7
71.01344	2.7
71.04978	9.4
71.60480	5.3
79.05064	4.2
79.05489	67.1
81.03412	57.5
81.06576	5.3
81.07050	100.0
83.04983	24.2
83.08616	25.7
84.08178	3.0
85.02915	13.4
85.06502	6.8
91.05453	67.9
93.07039	64.3
95.04960	33.4
95.08600	45.7
97.02903	5.1
97.06528	27.7
97.10143	14.1
99.08083	5.0
105.07025	51.8
106.46992	2.9
107.04952	23.2
107.08588	37.8
109.02869	2.8
109.06512	15.0
109.10148	25.9
111.04462	6.6
111.08051	11.6
117.06984	11.5
119.08581	30.9
121.06492	8.9
121.10158	23.2
123.04379	5.9
123.08098	14.5
123.11689	6.4
125.09624	13.2
127.03998	3.8
129.05466	6.7
129.06987	12.6
131.08563	22.9
133.06499	5.9
133.10141	30.2
135.08023	9.8
135.11668	21.9
137.09566	6.6
143.08524	9.7
145.10104	21.4
145.88557	2.8
147.08015	7.1
147.11632	18.4
149.09627	23.7
149.13290	6.3
151.11145	7.8
155.08598	3.2
157.08632	3.6
157.10068	10.7
159.11688	10.6
161.09576	8.3
163.11195	13.9
165.09081	4.0
165.12825	5.6
166.88138	3.0
169.10110	3.2
171.11653	4.2
173.09599	6.9
173.13226	5.6
175.11174	11.3
177.12709	3.0
181.12207	6.3
186.98303	2.7
187.11272	6.3
187.13361	2.8
189.11266	5.2
189.12823	3.4
191.10648	3.7
192.93297	3.0
193.12242	19.7
195.13879	5.5
199.56102	3.1
211.13274	28.4
227.12706	10.6
229.14253	5.4
253.14296	5.3
254.43001	3.0
267.15894	11.9
269.17526	4.4
273.18564	15.7
275.19992	24.9
285.16962	17.8
291.19568	21.9
293.21091	4.1
301.16357	13.8
313.30334	3.2
347.22092	5.6
349.23666	12.8
365.23160	9.8
375.77832	2.9
389.16644	3.2
421.25772	3.3
423.27448	4.4
449.28784	6.8
495.29065	14.9
517.31311	3.6
539.33411	3.5
557.34528	10.6
575.35931	32.3
593.33820	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	593.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67065	0.3
57.41111	0.3
69.76604	0.9
69.77035	1.0
70.14374	0.3
72.70641	0.3
78.72011	0.3
101.71262	0.3
109.24320	0.3
122.53712	0.3
145.64459	0.3
209.37666	0.3
221.10703	0.4
271.11893	0.3
299.14319	0.3
387.15637	0.4
388.16794	0.7
389.17609	1.2
390.18796	0.4
401.17703	0.7
402.18234	1.2
403.19223	3.8
404.19962	1.3
405.20761	2.0
415.19345	0.4
416.20508	1.3
417.16217	1.0
417.21384	4.5
418.21741	2.4
419.22403	3.9
429.20871	0.3
430.17667	1.0
431.18140	9.0
432.18530	2.8
432.24054	0.6
433.24152	8.6
434.24615	1.5
436.43655	0.3
443.18420	0.4
444.18964	0.7
445.19879	10.9
446.20697	4.6
447.21695	4.5
449.23105	0.5
458.21420	0.4
459.21524	4.1
460.22543	12.7
461.23282	11.6
462.24057	0.4
473.23862	2.2
474.24066	0.8
476.25848	1.7
477.22696	1.0
487.24893	1.1
489.26755	0.5
491.24396	0.8
492.25217	1.1
505.21848	4.6
515.24353	0.4
518.23059	0.5
519.24176	0.8
533.25470	42.7
534.25641	1.8
564.23773	0.5
565.28119	1.1
593.27557	100.0
594.27673	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.01863	2.3
55.05499	4.0
57.03439	1.4
57.07059	4.0
59.04976	1.9
65.03920	1.6
67.05503	17.9
69.03429	14.7
69.07053	3.8
70.06568	1.8
71.04983	3.2
71.59717	2.6
75.65174	1.1
78.45354	1.3
79.05473	5.8
81.03426	6.3
81.07052	13.3
83.04975	3.1
85.02901	47.5
85.06547	7.8
91.05450	8.8
93.07024	9.8
95.04935	2.4
95.08604	51.1
96.04422	1.6
97.02885	7.3
98.97523	1.8
99.04440	5.7
105.07027	23.5
107.04946	2.0
107.08564	11.4
109.02830	2.8
109.06503	8.8
109.10164	20.3
111.04446	3.9
111.08077	2.2
113.05973	4.6
114.05522	3.5
117.06997	2.4
119.08578	33.1
119.80179	1.2
121.06499	3.1
121.10134	16.0
123.04420	6.2
123.08059	22.0
123.10809	2.5
123.11703	49.8
125.05975	12.4
127.03913	20.9
129.06958	1.2
130.16031	1.3
131.08557	5.5
131.87883	1.3
132.09412	2.1
133.06451	4.3
133.10103	5.2
135.04338	1.8
135.08142	1.4
135.11656	5.7
137.05997	1.9
137.09554	3.1
139.03842	3.0
139.07503	2.4
143.08553	1.4
145.04942	4.6
145.10139	6.2
147.04398	1.6
147.08017	5.0
147.11681	39.2
149.09610	27.0
151.03889	1.2
151.07529	14.2
151.14836	1.5
153.01802	1.8
156.09358	3.4
158.33438	1.2
159.08090	2.3
159.11676	1.7
160.08902	1.3
161.05974	2.6
161.09711	1.4
161.13319	8.6
163.03894	2.9
163.11186	6.9
165.12773	5.5
167.10634	12.1
171.11665	4.1
174.10449	7.1
177.05482	2.6
179.03392	1.3
179.14290	2.3
189.12730	60.8
190.13081	1.9
207.13803	100.0
208.14101	3.0
225.14844	22.3
247.05876	1.3
251.09196	2.1
255.13666	1.5
271.06079	1.6
284.77853	1.4
291.16028	1.4
307.13632	1.5
308.14117	1.4
309.13617	1.4
315.15958	1.9
315.92151	1.3
318.66010	1.6
333.16937	31.1
351.18021	61.1
369.19092	25.9
387.19955	5.6
395.25604	4.9
399.18799	3.0
399.68594	2.0
400.19000	2.8
406.67581	2.0
413.26743	2.7
426.15839	1.5
431.15466	3.7
471.18826	2.0
575.32245	3.0
593.21582	3.6
593.32727	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	593.2751
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
54.09682	0.2
57.12585	0.2
58.24419	0.2
63.70590	0.2
68.78301	0.2
69.81237	1.4
98.21513	0.3
129.75966	0.3
137.15338	0.2
137.76706	0.2
155.01886	0.2
162.78796	0.2
163.95334	0.2
174.17761	0.2
250.47797	0.2
388.16754	0.4
389.17725	0.8
401.65250	0.2
402.18463	0.5
403.19064	1.8
404.19955	1.0
405.20871	1.3
416.20438	0.6
417.16287	0.5
417.21481	2.0
418.21472	1.0
419.22177	2.6
429.21524	0.3
430.17102	0.5
431.18155	5.7
431.23550	0.4
432.18622	1.9
433.24344	3.8
434.25131	1.1
444.19043	0.3
445.19962	7.5
446.20740	3.3
447.21524	5.4
448.22375	0.4
449.23480	0.4
459.21536	2.6
460.22546	9.9
461.23169	8.4
462.23679	0.9
463.21054	0.4
473.23886	1.4
476.25781	0.7
477.22159	0.5
487.25153	1.2
489.26672	0.6
490.16336	0.3
491.24631	0.7
492.25360	1.3
493.26349	0.3
505.21759	4.6
515.23883	0.3
518.23480	0.4
519.23767	1.1
528.79553	0.3
533.25458	26.7
534.25598	2.3
547.26581	0.3
564.23413	1.0
565.28284	0.4
575.26770	0.5
578.24945	0.4
593.27533	100.0
594.27887	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	592.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60086	0.6
53.03936	1.8
55.01871	1.6
55.05510	4.2
56.05022	2.7
57.07071	1.8
60.04514	1.4
64.44034	0.7
65.98788	0.7
67.05183	0.6
67.05505	11.3
69.03414	3.4
69.07079	3.2
70.06625	0.8
70.62619	1.4
70.63010	1.6
71.04974	2.6
79.05058	0.9
79.05489	12.3
80.05005	2.2
81.03407	1.7
81.05788	2.6
81.07044	11.5
82.06577	2.7
83.04990	1.8
83.08612	3.6
85.02899	2.1
85.06515	1.4
87.04460	2.2
91.05453	5.7
92.25784	0.7
93.07034	20.7
94.06566	16.8
95.04953	4.3
95.08600	18.8
96.08104	2.1
97.06515	6.3
97.10160	1.3
105.06371	1.1
105.07021	11.2
106.06534	0.6
107.07333	2.6
107.08560	1.3
109.06535	0.7
109.10139	1.1
110.09688	9.5
111.08073	12.5
119.08546	1.1
122.09660	32.7
123.08058	27.0
128.10710	31.7
131.08542	0.9
135.11691	1.1
140.10693	100.0
141.09097	11.6
143.08554	0.7
145.10149	0.8
158.11754	7.6
172.86858	0.6
232.62962	0.6
254.24724	1.3
255.55139	0.7
272.25830	7.4
287.76016	0.7
290.28394	0.9
296.67102	0.8
313.27237	0.8
314.27481	0.9
382.33102	9.3
394.33148	20.8
412.34198	73.1
413.34464	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20337	0.2
55.01620	0.4
55.01869	6.5
68.99780	0.7
70.06591	10.2
70.83981	0.5
70.84331	0.5
74.02879	0.3
74.78017	0.2
79.05472	0.5
81.03397	0.4
81.07063	0.3
82.10387	0.3
84.04491	0.9
85.02922	0.3
91.05465	0.5
92.10817	0.3
93.07031	0.3
95.04961	0.5
96.04485	34.9
103.05449	0.3
107.04943	0.5
108.42297	0.3
112.07630	0.3
114.05522	100.0
119.04957	1.4
121.06481	1.1
122.06014	2.3
123.04417	11.0
131.04834	0.3
133.06462	0.3
135.04402	1.2
136.07597	0.3
137.05991	0.6
139.03941	0.7
147.04402	6.3
149.05965	3.6
151.03918	0.4
152.92644	0.3
153.01881	0.4
158.08098	0.8
159.04445	0.9
161.06012	0.5
163.03915	0.3
165.05467	4.2
175.03923	0.5
175.07468	0.4
177.05460	51.8
178.05746	0.4
184.29721	0.3
188.06982	0.3
189.05519	0.7
207.06497	1.0
216.10155	0.9
232.09435	0.4
232.11768	0.3
234.11288	0.7
242.08128	0.8
260.09167	2.3
273.07501	0.6
278.10214	0.7
311.09140	0.5
329.10175	17.6
386.15997	1.0
412.13864	7.0
430.14954	62.1
431.15347	0.4
548.21204	0.6
574.18951	0.6
592.19269	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
60.74571	2.3
69.03416	14.2
81.03407	10.2
82.06570	8.2
85.02901	7.5
91.05450	4.1
95.04967	2.5
97.02866	3.8
97.07645	30.6
99.04462	3.3
100.07599	7.1
100.51046	2.3
109.02892	6.3
109.07648	13.4
123.04422	4.0
127.03922	9.1
127.08669	100.0
139.03853	13.8
147.04404	6.1
151.03912	4.3
153.01831	3.0
175.03902	3.8
175.92685	2.5
177.01981	2.9
184.07347	2.7
187.03897	6.6
203.03389	4.4
213.01958	3.2
215.03419	3.1
231.02850	18.5
239.82860	2.5
247.02168	3.0
255.09053	2.7
259.02438	35.4
271.06335	2.5
275.01892	4.3
277.00430	5.4
277.03403	92.8
289.03500	3.0
303.01367	33.4
303.04645	4.0
321.02463	3.9
465.06448	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	592.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.8
60.51834	0.4
63.37812	0.4
68.05032	0.4
68.99789	0.8
69.03416	0.7
70.06589	12.1
71.36546	0.5
71.36889	0.5
79.05459	0.5
81.03383	0.5
81.07046	0.9
84.04498	0.6
85.02896	1.0
87.86090	0.3
89.29925	0.4
91.05470	0.7
93.07045	0.4
96.04487	36.4
96.32917	0.3
98.21226	0.5
103.05440	0.6
107.04933	1.3
112.07584	1.8
114.05521	100.0
116.07137	0.3
119.04928	1.5
121.06509	1.4
122.06013	1.9
123.04417	14.5
131.04927	0.7
132.25594	0.4
135.04404	1.5
137.05995	0.4
139.03929	0.8
140.07047	0.5
147.04401	6.8
149.05972	3.5
151.03908	0.5
153.01781	1.9
158.08089	2.1
159.04446	0.6
161.05948	0.9
163.03879	0.9
164.06984	0.5
165.05458	5.3
175.03909	0.6
175.07561	0.6
177.05457	59.5
189.05463	0.7
201.05409	0.4
207.06500	1.9
216.10191	1.3
234.11269	0.5
242.08200	0.8
247.51340	0.3
247.71623	0.3
260.09140	2.8
273.07578	1.7
276.10855	0.3
278.10095	0.8
322.61954	0.4
329.10165	16.1
362.74606	0.4
386.16016	1.0
412.13876	7.3
421.09256	0.4
430.14966	49.3
431.15042	0.5
548.21204	0.9
574.19012	1.0
592.19720	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.01875	0.6
55.05513	5.8
57.03431	0.7
57.07076	1.0
58.79674	0.6
67.05495	4.0
67.46160	0.5
69.03447	2.5
69.07065	68.0
70.68070	1.2
70.68401	1.1
71.04996	0.9
73.02938	0.6
73.06557	2.0
79.05485	1.6
81.03410	2.7
81.07054	6.6
83.08625	1.3
85.02899	9.9
86.09724	0.6
87.04449	2.8
89.06026	69.9
91.05467	3.8
91.46371	0.5
93.07062	1.0
95.04953	0.7
95.08604	6.1
97.02882	2.8
99.04468	0.8
102.68668	0.5
107.07057	3.3
109.02866	1.6
109.10144	2.0
111.11713	20.7
117.09113	1.0
119.04923	0.6
123.04414	1.8
127.03892	3.6
130.08653	1.6
131.04842	0.5
133.08595	33.4
137.06049	0.7
137.13214	1.3
137.65694	0.6
139.03912	2.8
145.04976	0.7
147.04408	0.8
151.03879	1.8
151.09676	1.1
153.01816	2.4
157.10127	0.9
162.25357	0.5
175.09712	0.6
177.11217	15.9
185.09650	1.0
187.03906	0.8
191.03421	0.7
195.12292	1.6
199.16962	3.4
221.13844	2.3
231.02910	2.0
239.14943	1.8
243.19572	4.6
259.02383	4.9
273.07904	0.6
277.03424	14.3
278.03674	1.3
283.17505	23.5
289.03427	1.1
303.01331	2.4
305.23178	1.2
321.02441	0.9
349.25674	0.8
393.28442	100.0
394.28754	2.5
411.29517	19.8
465.06531	2.4
496.29996	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
55.05511	4.7
57.03424	0.5
57.07084	1.0
59.04998	0.7
61.02908	0.8
67.05514	4.2
69.03425	2.6
69.07063	62.6
69.27411	3.1
69.27836	2.6
69.83151	0.5
70.06582	0.6
71.04961	0.8
73.02896	0.6
73.06544	1.6
79.05499	1.1
81.03394	2.0
81.07053	7.7
83.08604	1.1
85.02897	8.0
87.04456	3.2
89.06025	61.2
91.05468	2.2
93.07055	0.6
95.04945	0.8
95.08601	5.6
97.02876	2.1
107.04955	0.7
107.07050	2.8
109.02840	1.2
109.10139	1.3
111.11710	20.6
117.09113	0.7
122.79789	0.5
123.04435	1.3
127.03932	2.4
130.04967	0.5
130.08636	1.1
131.08522	0.5
133.08592	29.0
137.13281	0.9
139.03867	2.0
145.04970	0.8
147.04408	0.7
149.33095	0.5
151.03848	0.8
151.09619	1.0
153.01816	2.5
161.05948	0.5
163.03911	0.7
173.62814	0.5
177.11214	14.2
177.12683	1.1
185.09628	1.2
195.12239	1.4
199.16940	3.6
213.09160	0.8
217.18077	0.9
221.13870	1.9
231.02888	1.1
239.14886	2.3
243.19580	4.3
253.11848	0.5
259.02399	2.8
265.16522	0.6
277.03403	9.8
278.03659	0.6
283.17477	24.5
303.01401	2.2
305.23184	1.2
321.02383	0.8
393.28433	100.0
394.28662	1.5
396.28708	0.5
411.29477	19.9
437.49512	0.5
465.06491	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.9
53.31558	3.6
55.05490	15.0
57.03419	10.8
57.07071	45.9
67.05507	41.2
69.07059	13.1
69.68331	14.3
69.68756	15.1
71.08625	38.9
79.05488	28.4
79.95411	5.5
81.07054	49.8
83.08604	19.2
85.10185	20.2
91.05476	41.2
93.07034	42.7
95.08133	4.2
95.08614	42.4
97.10128	4.9
105.07011	46.4
105.10177	4.7
107.08587	22.2
109.10157	17.3
117.07001	14.6
119.08583	44.6
121.10133	15.9
124.05080	3.7
129.06996	7.9
131.08557	18.1
131.52496	3.7
133.10120	39.3
135.11693	14.9
137.09694	5.1
143.08609	5.2
145.10106	15.5
147.11674	43.3
149.13235	10.2
153.12869	4.1
157.10052	9.4
159.11595	19.1
161.13260	35.2
163.14792	4.3
171.11705	16.0
173.13235	10.9
175.14793	18.2
185.13235	13.2
187.14760	5.0
199.14738	7.6
231.21033	10.0
239.23409	4.6
241.19489	43.7
259.20554	84.9
265.17422	5.1
313.27353	100.0
315.22952	5.5
333.24188	51.2
500.62662	4.6
532.47827	3.9
571.47125	11.0
589.47815	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	589.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01573	0.4
51.02370	0.7
53.03950	0.9
61.02935	0.3
64.43584	0.3
67.05495	0.4
68.99798	0.6
69.03423	1.6
70.95650	0.7
71.04971	0.4
73.02901	0.5
79.01846	3.5
79.05505	0.5
81.03411	6.0
81.07066	0.4
85.02900	4.2
85.06528	0.4
90.42732	0.3
91.05490	0.5
93.07028	0.6
95.04966	0.9
97.02888	5.0
99.04446	0.9
103.03903	0.4
107.01304	1.5
107.04944	59.4
109.02865	4.0
119.04904	0.7
121.06480	1.6
123.04406	1.6
125.02344	4.0
127.03906	7.6
131.04912	1.6
139.03891	0.9
143.03386	7.2
145.04941	1.1
145.06422	0.5
147.04404	1.1
149.05975	5.7
151.03896	4.4
153.01814	100.0
154.02176	0.6
163.03960	0.7
165.05432	1.0
169.05011	2.5
171.02867	8.7
173.05916	1.3
175.03903	0.6
177.05472	0.6
181.04965	0.8
185.06007	0.4
189.05438	0.7
191.03360	0.3
191.07065	1.0
193.04919	4.3
195.02913	0.7
197.06175	0.4
205.04965	0.7
207.06497	0.8
211.05988	3.4
212.05432	0.4
215.06998	1.1
217.04929	1.8
224.15070	0.3
231.06567	0.6
233.04413	0.4
235.05960	3.4
255.04927	1.2
257.08118	0.5
259.05923	2.3
275.09088	4.8
277.07001	2.2
297.06039	7.4
299.09134	3.6
315.07086	5.1
317.10165	9.9
341.10144	4.5
353.10226	0.4
365.10156	5.1
383.11139	5.5
401.12234	1.0
419.13135	1.2
588.40094	0.7
589.24573	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01572	0.4
51.02377	0.8
53.03943	0.6
53.57917	0.3
55.01865	1.4
67.05499	1.5
68.99785	0.9
69.03413	0.9
69.07044	0.7
70.06573	0.4
71.60395	0.4
77.03907	0.7
79.01852	2.0
79.05487	2.2
81.03409	0.7
81.07041	1.4
83.04999	0.4
83.08600	0.4
85.02878	0.5
88.24517	0.4
89.70129	0.3
91.05466	1.2
93.07033	0.7
95.01327	0.4
95.04977	2.6
95.08595	0.9
97.02886	1.0
105.03410	0.9
105.06997	0.6
107.01317	0.7
107.04931	3.5
107.08581	0.5
109.02891	0.5
109.10107	0.5
111.04437	0.5
119.04926	1.2
119.08588	0.8
121.02867	4.5
123.04418	56.0
124.04742	0.6
125.02355	1.8
127.03865	0.5
131.08540	0.7
133.06461	0.7
133.10112	0.5
135.04395	8.1
135.11691	0.4
139.03906	1.2
141.01788	0.4
143.03378	3.9
145.02834	1.2
147.04393	9.0
147.05504	0.6
153.01817	34.6
153.02800	1.2
154.02040	0.4
161.09776	0.4
163.02530	0.8
163.03893	14.0
165.01778	1.8
165.05441	3.3
167.06979	1.9
169.06444	1.0
171.02997	0.4
175.03751	0.4
177.05522	0.4
183.02879	2.8
187.07581	0.4
189.05521	0.7
191.03375	100.0
197.05960	3.4
201.05466	1.0
203.03365	1.8
225.05394	1.0
243.06509	19.3
275.05463	0.5
285.07553	64.9
286.07904	0.8
297.07477	1.2
299.05768	0.4
325.06958	0.7
377.10147	0.6
419.11279	6.0
589.22284	0.5
589.31305	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.7
51.02377	1.4
55.01875	1.3
55.69287	0.3
56.14765	0.3
65.03947	0.6
65.98235	0.3
67.05486	1.2
68.99784	0.9
69.03429	0.8
69.07034	0.3
69.50930	2.6
72.74811	0.3
77.03908	0.4
79.01849	7.5
79.05479	1.4
81.07053	0.6
91.05464	1.9
93.03389	0.8
93.07027	0.5
95.04949	2.6
97.02869	1.8
105.03373	0.6
105.07023	0.8
107.01311	1.4
107.04934	2.6
107.08636	0.4
109.02850	0.6
111.04401	0.7
115.05441	0.5
119.04930	4.1
119.08557	0.4
121.02858	4.7
121.10152	0.4
123.04417	70.4
124.04778	0.4
125.02343	5.4
131.04947	0.4
133.06500	0.7
135.04399	5.8
137.02301	1.0
137.05983	0.5
139.03891	0.6
143.03380	9.3
143.04950	0.7
145.02856	0.8
147.04399	24.3
151.03914	0.4
153.01816	100.0
154.02132	0.7
157.06462	0.4
161.05972	2.3
163.03896	8.3
165.01784	1.9
165.05463	8.3
167.03378	0.5
169.06497	0.5
171.04396	0.4
171.08046	0.5
177.01884	0.4
177.05412	0.5
179.03384	1.3
179.07014	0.9
181.06531	0.7
183.02867	1.4
183.04291	0.3
185.05988	1.5
187.03964	0.8
187.07658	0.4
189.05449	2.7
191.03377	67.2
192.03822	0.4
195.02873	0.7
197.05939	1.8
199.07574	0.3
201.05486	0.9
202.87482	0.3
203.03369	3.6
205.04919	0.7
207.06528	2.6
207.24538	0.3
209.06052	0.4
213.05414	1.1
215.07088	0.7
217.04980	0.8
221.04465	1.3
225.05482	0.6
227.06985	1.1
231.06520	1.7
233.04494	0.7
243.06503	9.1
247.05875	0.4
247.17007	0.5
249.07593	0.4
255.06477	4.2
259.05908	0.6
273.07584	0.8
275.05392	0.4
279.06473	0.4
283.06161	0.4
285.07556	22.5
297.07547	5.8
299.05490	1.3
307.05917	0.9
317.06491	3.2
325.07047	4.4
343.08081	14.4
359.09125	2.9
372.99026	0.4
377.10132	2.3
380.85471	0.4
395.11224	3.9
401.10135	1.2
419.11255	5.9
437.12360	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	588.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51173	0.9
53.03919	2.2
55.05513	7.9
57.03425	1.7
57.07061	1.1
62.11898	0.9
67.05501	9.6
69.03422	3.6
69.07063	7.3
70.06580	1.0
71.04964	1.8
71.08624	5.5
72.08159	2.6
79.05500	5.9
81.03398	3.9
81.07056	13.5
83.04982	1.8
83.08609	6.2
84.08148	1.2
85.02882	3.3
86.06067	16.7
86.09692	1.9
91.05478	7.3
92.05821	1.4
93.07037	7.8
94.07368	1.1
95.04952	6.1
95.08598	5.0
96.08116	3.2
97.02871	3.1
97.06509	2.6
97.10153	2.5
98.06033	1.3
98.09689	9.0
98.21509	3.0
99.04424	1.5
99.08094	7.1
103.05446	1.8
105.07022	4.2
106.07355	1.1
107.04969	2.4
107.08586	3.7
108.08090	2.2
109.02867	1.9
109.10153	3.0
111.08083	1.6
115.05464	0.9
116.10724	45.1
117.07023	1.8
119.08592	2.6
121.10120	1.9
122.09673	2.2
123.08058	1.5
124.07621	1.0
125.09624	1.6
127.03911	3.2
129.06966	2.1
131.04929	1.8
131.08562	1.8
132.05243	1.1
133.06471	1.4
133.10077	2.0
140.10629	1.3
143.10663	3.1
145.04984	1.5
145.06444	2.3
145.10013	1.5
146.06880	1.6
147.04384	1.6
149.13239	3.2
159.08072	1.4
159.11687	1.4
160.11978	1.1
161.05969	2.2
167.14299	1.2
171.07950	1.1
171.95036	1.0
173.05977	1.9
174.06395	1.4
184.07307	5.5
187.07428	1.0
189.05464	2.0
214.18073	6.1
224.11647	1.0
229.66617	1.1
231.15794	1.2
232.89856	0.9
239.16435	2.1
250.21539	1.3
257.17380	3.7
261.13235	2.6
262.21606	1.4
269.17441	2.6
270.17624	1.3
273.14798	1.0
274.15067	1.9
283.13348	1.1
292.22726	2.8
301.14203	5.2
302.14722	5.3
310.23734	16.7
328.24799	100.0
329.25311	1.0
376.18240	1.4
426.32132	19.6
472.28583	1.1
478.27124	1.2
490.29874	11.0
558.31134	2.5
570.31201	10.0
588.31506	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	588.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.8
57.07072	30.6
59.05002	0.7
60.45918	0.5
69.07064	4.1
69.27890	2.5
69.28324	3.0
69.52759	0.5
71.05006	0.5
71.08627	43.2
73.06547	8.1
81.07054	0.6
83.08611	0.6
87.04464	7.7
89.06025	100.0
91.05457	0.5
91.07597	1.1
93.07012	1.1
93.46495	0.5
95.04955	0.5
95.08602	0.6
107.07066	4.6
107.08624	0.7
111.11722	0.7
111.37960	0.5
113.13298	4.2
117.09119	8.3
130.08629	2.9
131.07037	1.9
133.08594	49.2
135.10135	0.7
155.38461	0.5
157.15883	7.5
158.08258	0.5
161.11688	2.3
161.81340	0.5
163.20410	0.5
175.09668	1.3
177.11205	22.5
195.12323	0.7
197.08469	0.5
198.18542	1.8
201.18495	15.4
221.13858	4.3
223.15637	0.6
239.14854	1.3
245.21112	10.3
245.23514	0.9
265.16415	1.2
283.17508	2.3
309.19177	0.6
327.20197	1.6
351.27124	0.6
353.21725	1.0
371.22702	1.2
415.25195	0.9
439.32809	0.6
459.27954	3.5
527.01514	0.6
527.37372	0.9
571.40405	10.8
588.43292	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	588.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51173	0.9
53.03919	2.2
55.05513	7.9
57.03425	1.7
57.07061	1.1
62.11898	0.9
67.05501	9.6
69.03422	3.6
69.07063	7.3
70.06580	1.0
71.04964	1.8
71.08624	5.5
72.08159	2.6
79.05500	5.9
81.03398	3.9
81.07056	13.5
83.04982	1.8
83.08609	6.2
84.08148	1.2
85.02882	3.3
86.06067	16.7
86.09692	1.9
91.05478	7.3
92.05821	1.4
93.07037	7.8
94.07368	1.1
95.04952	6.1
95.08598	5.0
96.08116	3.2
97.02871	3.1
97.06509	2.6
97.10153	2.5
98.06033	1.3
98.09689	9.0
98.21509	3.0
99.04424	1.5
99.08094	7.1
103.05446	1.8
105.07022	4.2
106.07355	1.1
107.04969	2.4
107.08586	3.7
108.08090	2.2
109.02867	1.9
109.10153	3.0
111.08083	1.6
115.05464	0.9
116.10724	45.1
117.07023	1.8
119.08592	2.6
121.10120	1.9
122.09673	2.2
123.08058	1.5
124.07621	1.0
125.09624	1.6
127.03911	3.2
129.06966	2.1
131.04929	1.8
131.08562	1.8
132.05243	1.1
133.06471	1.4
133.10077	2.0
140.10629	1.3
143.10663	3.1
145.04984	1.5
145.06444	2.3
145.10013	1.5
146.06880	1.6
147.04384	1.6
149.13239	3.2
159.08072	1.4
159.11687	1.4
160.11978	1.1
161.05969	2.2
167.14299	1.2
171.07950	1.1
171.95036	1.0
173.05977	1.9
174.06395	1.4
184.07307	5.5
187.07428	1.0
189.05464	2.0
214.18073	6.1
224.11647	1.0
229.66617	1.1
231.15794	1.2
232.89856	0.9
239.16435	2.1
250.21539	1.3
257.17380	3.7
261.13235	2.6
262.21606	1.4
269.17441	2.6
270.17624	1.3
273.14798	1.0
274.15067	1.9
283.13348	1.1
292.22726	2.8
301.14203	5.2
302.14722	5.3
310.23734	16.7
328.24799	100.0
329.25311	1.0
376.18240	1.4
426.32132	19.6
472.28583	1.1
478.27124	1.2
490.29874	11.0
558.31134	2.5
570.31201	10.0
588.31506	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	588.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
55.01872	1.0
56.54166	0.5
56.79064	0.5
57.03431	0.9
67.05496	1.0
69.03419	0.6
70.06567	0.6
71.04955	0.6
71.60182	0.9
76.51216	0.5
79.05488	3.0
81.03436	0.7
81.07021	0.8
85.02889	1.8
85.23031	0.4
86.09676	1.1
90.05541	0.6
91.05483	3.9
93.07015	0.8
95.04942	1.1
97.02895	1.3
103.05440	2.7
104.06282	0.5
105.07021	14.4
106.89984	0.5
107.04940	1.9
109.02857	1.4
109.06510	1.0
115.05450	0.8
118.04148	2.8
119.04939	4.5
120.05703	0.9
121.06476	1.0
123.04408	1.6
123.08061	1.3
124.05209	0.9
127.03866	1.0
127.07659	0.5
131.04962	3.2
132.05624	0.6
133.06482	14.8
134.85710	0.6
135.04425	1.5
135.08031	2.8
137.05963	6.0
139.03856	0.7
143.03329	0.6
147.04390	4.2
147.08035	0.5
148.05165	0.7
149.05962	1.8
150.05537	0.7
150.06735	7.5
151.07542	4.2
152.08310	1.2
153.01810	3.8
154.02112	0.6
161.05983	2.2
163.07533	3.7
165.09091	10.3
167.07019	6.5
178.06221	1.4
179.07002	5.4
181.08574	1.2
184.09688	0.8
193.08592	47.3
195.10100	0.5
202.10754	0.9
211.09637	100.0
212.09981	1.5
212.80072	0.5
328.14011	1.0
341.13843	2.0
364.16129	1.1
373.16556	1.2
389.67722	0.6
393.82370	0.6
536.39935	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03383	8.8
70.06596	4.6
70.10649	20.8
79.05466	5.8
81.03414	7.3
83.11708	3.8
85.02894	9.9
91.05476	9.5
95.04978	7.2
97.02882	5.1
98.20938	7.9
100.51736	3.9
103.05455	14.0
105.07013	23.1
107.04951	50.2
109.02962	5.1
109.37374	4.1
115.05453	4.7
119.04926	7.2
121.06535	4.7
122.20319	3.8
123.04425	18.6
127.03922	10.1
130.15926	4.0
131.04971	9.7
133.02843	9.5
133.06476	18.6
135.08052	22.4
137.05954	25.1
139.03854	5.2
147.04401	15.2
149.05977	14.4
150.06689	4.5
151.03882	4.6
151.07553	16.1
153.01801	23.7
161.05975	17.5
163.07520	76.1
165.05464	4.3
165.09097	10.2
167.07039	100.0
177.05479	7.3
179.07043	21.2
181.08563	31.5
191.07018	6.8
193.08597	42.2
195.10178	64.3
205.08611	5.7
207.10164	7.7
211.09668	56.2
213.11223	46.0
225.11151	8.3
232.59781	4.8
237.11098	6.1
253.10739	8.0
256.07401	4.2
303.12073	5.3
321.13190	9.6
338.20743	4.1
491.28284	4.7
589.25940	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	588.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
55.01872	1.0
56.54166	0.5
56.79064	0.5
57.03431	0.9
67.05496	1.0
69.03419	0.6
70.06567	0.6
71.04955	0.6
71.60182	0.9
76.51216	0.5
79.05488	3.0
81.03436	0.7
81.07021	0.8
85.02889	1.8
85.23031	0.4
86.09676	1.1
90.05541	0.6
91.05483	3.9
93.07015	0.8
95.04942	1.1
97.02895	1.3
103.05440	2.7
104.06282	0.5
105.07021	14.4
106.89984	0.5
107.04940	1.9
109.02857	1.4
109.06510	1.0
115.05450	0.8
118.04148	2.8
119.04939	4.5
120.05703	0.9
121.06476	1.0
123.04408	1.6
123.08061	1.3
124.05209	0.9
127.03866	1.0
127.07659	0.5
131.04962	3.2
132.05624	0.6
133.06482	14.8
134.85710	0.6
135.04425	1.5
135.08031	2.8
137.05963	6.0
139.03856	0.7
143.03329	0.6
147.04390	4.2
147.08035	0.5
148.05165	0.7
149.05962	1.8
150.05537	0.7
150.06735	7.5
151.07542	4.2
152.08310	1.2
153.01810	3.8
154.02112	0.6
161.05983	2.2
163.07533	3.7
165.09091	10.3
167.07019	6.5
178.06221	1.4
179.07002	5.4
181.08574	1.2
184.09688	0.8
193.08592	47.3
195.10100	0.5
202.10754	0.9
211.09637	100.0
212.09981	1.5
212.80072	0.5
328.14011	1.0
341.13843	2.0
364.16129	1.1
373.16556	1.2
389.67722	0.6
393.82370	0.6
536.39935	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.8
54.94307	2.0
55.01862	5.4
55.05510	18.9
55.70630	2.2
57.03434	11.6
57.07075	4.3
59.32722	2.2
65.03930	3.5
66.60034	2.1
67.05500	72.9
69.07052	13.6
71.01346	7.1
71.04968	2.7
71.59828	2.9
79.05059	3.4
79.05489	46.6
81.03408	23.1
81.07052	57.1
83.04968	5.7
83.08612	9.3
87.57057	2.4
91.04954	3.5
91.05472	31.2
93.06470	3.7
93.07037	45.3
95.04963	58.5
95.08595	35.6
97.06506	3.2
97.10152	7.5
102.10216	2.7
105.07023	18.9
107.04948	10.8
107.08568	23.4
108.22672	2.1
109.02858	12.2
109.06501	9.0
109.10129	16.7
111.04446	3.1
111.08064	3.8
117.07011	16.0
119.08594	18.3
121.06465	6.9
121.10134	19.5
123.04420	58.9
123.08022	5.7
123.11642	3.0
125.09602	7.8
129.06973	9.6
131.08571	15.2
133.06490	3.8
133.10112	10.3
135.08060	6.8
135.11661	12.9
137.05974	4.1
139.03880	2.7
143.08554	5.4
145.06473	5.5
145.10110	19.3
147.08037	9.4
147.11674	10.0
149.13254	6.8
153.09055	6.4
155.08533	5.4
157.10136	3.4
159.08034	2.9
159.11664	6.0
161.09566	3.1
161.13217	6.5
163.11188	14.1
171.11665	7.0
173.09610	8.0
173.13261	5.7
189.12735	11.0
191.10693	4.9
199.11212	3.8
207.13737	13.0
217.12238	9.3
235.13275	80.0
243.21086	3.2
253.14113	2.7
256.83762	2.3
261.22055	8.0
266.75140	2.3
273.14728	2.9
309.17014	60.4
329.85468	2.3
335.25778	100.0
386.18521	2.7
394.02557	3.4
477.33923	3.3
495.34363	3.0
507.08203	2.7
551.37122	4.1
569.38226	66.6
587.39899	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	586.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01874	1.3
55.05509	5.1
57.03425	0.9
57.38780	1.0
59.05008	1.5
60.32668	1.0
65.03920	1.8
67.05492	3.4
67.32330	1.1
69.03415	4.2
69.07053	2.9
69.88284	4.8
69.88700	2.2
70.98866	1.0
71.04990	9.5
72.08138	3.0
73.06522	0.9
78.53972	0.8
79.01854	2.0
79.05489	5.3
81.03422	5.5
81.07056	21.8
83.04972	2.1
83.08616	2.1
85.02888	4.2
85.06535	2.8
91.05474	22.8
91.26590	0.9
92.05805	2.1
93.07040	11.8
95.04967	2.2
95.08600	7.1
97.02881	4.4
97.06532	2.2
97.10163	2.0
99.08092	5.8
105.07023	29.3
107.01299	1.5
107.04933	1.5
107.08575	13.9
109.02869	4.9
109.06487	2.1
109.10155	8.1
117.07001	1.2
119.08578	10.8
121.02863	2.1
121.06502	1.8
121.10131	6.4
123.04408	4.3
123.08099	1.5
123.11673	3.0
125.02356	3.5
125.09616	21.4
127.03913	8.6
127.07555	2.7
127.11211	3.5
131.08537	3.4
133.10121	35.2
133.51268	1.0
135.11678	3.2
139.03891	3.4
139.11156	2.1
143.03374	4.1
143.10667	48.9
145.10117	8.5
147.04433	1.6
147.11681	14.8
149.09515	1.2
149.13287	4.6
151.03909	2.4
151.11156	2.4
153.01820	100.0
154.02148	1.3
159.11671	5.7
161.13235	3.8
167.14305	9.7
169.12250	2.4
171.02869	12.2
173.13216	1.0
177.05479	1.8
181.04961	0.9
183.02945	1.2
185.34189	1.0
191.17821	1.7
201.16339	7.2
219.17426	24.7
237.18439	4.1
273.15170	1.5
297.05930	6.3
315.07092	35.6
371.18417	2.6
586.28912	2.1
587.20276	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	587.1387
Annotation	Prunin 6''-O-gallate
Peak:m/z	Relative Intensity
53.03937	0.6
55.01862	0.4
57.03415	0.8
58.64639	0.2
58.87333	0.2
61.63254	0.2
67.01865	2.7
68.99786	1.0
69.03427	2.3
70.06564	0.3
71.04978	0.7
71.60065	0.4
79.01843	2.6
79.05490	0.3
81.02921	0.4
81.03406	7.1
81.07016	0.5
85.02899	3.3
91.05461	2.0
92.05796	0.4
92.42245	0.3
92.67845	0.2
93.07030	0.6
95.04955	0.5
95.08554	0.3
97.02882	4.9
99.04435	0.9
105.07024	0.4
107.01278	1.3
107.04913	0.6
107.08586	0.5
109.02873	4.4
109.10127	0.4
119.04935	1.4
120.01761	0.3
121.02863	1.1
121.06494	1.1
123.04421	1.0
125.02327	3.5
127.03913	5.9
129.01868	0.3
139.03915	0.4
142.36861	0.3
143.03387	5.1
145.04938	1.1
147.04398	5.4
151.03903	0.6
153.01814	100.0
154.02164	1.1
163.03854	0.3
165.01830	0.4
167.07040	0.8
171.02873	33.4
172.41710	0.3
177.01852	0.7
179.03333	0.5
183.02882	0.7
187.03938	0.3
191.03349	0.9
195.02864	6.1
207.02824	0.3
215.03423	0.5
219.02852	1.2
233.04332	0.4
237.03867	0.3
243.02979	0.5
255.04837	0.4
261.04010	1.6
273.07550	26.0
274.07913	0.5
279.05054	0.3
285.07660	0.3
297.05936	7.4
315.06839	4.0
339.08615	1.1
363.08551	0.8
381.09595	2.0
383.66223	0.2
399.10843	0.4
417.11786	0.6
543.16895	0.4
586.38580	0.5
587.21960	0.5
595.86511	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.05505	3.5
57.03415	1.2
57.07059	0.8
57.44328	0.6
59.04982	0.9
65.03919	1.1
67.05510	5.6
69.03429	3.3
69.07064	3.2
69.89146	1.5
69.89565	2.3
69.93232	0.7
70.06578	1.3
71.04987	9.6
72.08141	1.8
72.34462	0.8
73.06538	1.2
76.75420	0.7
79.01838	2.1
79.05492	6.9
81.03423	5.7
81.07050	22.5
83.04970	1.6
83.08604	2.3
85.02902	4.6
85.06531	1.9
91.05475	16.6
92.05789	1.2
93.07036	10.6
93.14374	0.6
95.04971	2.6
95.08118	0.8
95.08608	7.3
97.02889	3.3
97.06516	2.3
97.10165	2.7
98.20800	0.8
99.04437	1.5
99.08090	7.2
102.69654	0.6
103.05431	0.9
103.82527	0.8
105.07024	28.6
106.07351	0.7
107.08593	11.8
109.02872	5.4
109.06490	2.2
109.10131	7.3
117.06998	1.9
119.04913	0.8
119.08580	11.5
121.02860	1.3
121.10133	5.5
123.04406	2.6
123.08086	0.7
123.11705	3.3
125.02316	1.9
125.09623	20.1
125.10545	1.3
127.03903	6.5
127.07533	3.1
127.11191	2.5
129.47522	0.6
131.08534	4.1
133.10124	42.0
135.11688	2.8
139.11148	1.5
143.03349	3.3
143.10664	42.4
145.10115	6.6
147.04436	1.6
147.11679	13.3
149.13229	4.7
151.03867	1.4
151.11153	2.7
153.01817	100.0
157.10268	0.7
159.11696	5.4
161.05919	0.7
161.13266	4.9
163.03848	0.8
163.11267	0.9
164.72577	0.7
167.14308	8.3
169.12228	1.5
171.02882	12.9
173.13206	1.2
175.14824	0.8
177.05418	1.6
177.12839	0.8
183.02925	1.6
191.14301	1.2
191.17958	1.6
201.16338	6.9
203.17821	1.2
213.34085	0.6
213.62950	0.7
218.75983	0.6
219.17429	26.3
221.19125	0.8
237.18411	5.1
270.16910	0.7
297.06082	6.8
303.08493	1.1
315.07062	28.4
371.18631	2.0
424.30319	0.9
551.95123	0.9
565.63251	0.7
586.28455	1.0
586.36346	1.9
587.20673	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16314	5.8
53.03932	6.2
55.05495	13.5
57.07087	5.7
59.23935	5.7
60.36245	6.6
66.25042	6.3
67.05486	12.8
69.03424	11.7
69.07053	15.0
70.68094	15.1
70.68457	11.7
79.05486	17.4
81.07055	41.9
91.05471	42.4
93.07040	72.7
95.04941	17.6
95.08587	33.3
105.07014	89.0
107.08585	51.1
109.06530	6.4
109.10129	33.6
115.05405	11.8
117.07001	10.8
119.08579	100.0
121.10129	64.4
123.11704	17.6
125.09652	8.4
128.06236	9.2
129.07007	13.5
131.08585	35.3
133.10133	53.4
135.11681	28.4
139.11205	9.6
139.29636	6.4
141.06990	7.7
142.07794	15.1
143.08539	28.9
145.10101	64.6
147.11664	46.7
149.09616	13.4
156.09303	6.3
157.10094	45.1
159.11705	32.7
161.13208	8.8
163.11092	7.4
167.08527	12.0
167.10733	40.5
167.11880	6.5
169.10085	19.6
171.11679	24.5
173.13295	22.3
175.14867	17.6
183.11644	15.6
185.13261	12.5
187.14719	9.0
191.14169	6.6
193.10152	9.2
195.11531	7.3
197.13300	17.0
199.14679	10.6
201.16370	9.9
209.13240	11.1
211.14827	19.0
213.16342	9.6
221.13374	6.9
221.15416	20.9
223.14803	11.4
277.19452	8.7
345.25528	9.4
567.42157	12.7
585.43683	9.0
585.56281	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	584.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80091	1.4
53.03941	2.6
55.01853	1.5
55.05508	9.8
57.07075	10.7
59.04983	3.4
65.03931	2.3
67.05497	18.3
69.03418	8.0
69.07063	11.5
70.06583	2.6
70.68427	3.2
70.68793	3.2
71.80891	1.7
74.16283	1.4
79.05487	22.5
80.06244	2.0
81.07050	25.7
83.04982	4.4
83.08612	5.5
85.06540	6.4
85.17683	1.6
88.52023	1.6
91.05473	37.1
91.54736	1.4
92.06290	1.6
93.07037	50.7
95.04969	9.8
95.08604	32.7
97.06535	3.5
103.05421	2.4
105.07030	70.7
106.07860	1.8
107.04900	1.5
107.08586	42.7
109.06522	8.7
109.10141	17.0
111.08061	4.0
115.05453	6.1
116.06255	1.8
117.07016	20.9
119.08571	79.7
120.09338	5.1
121.06489	5.3
121.10133	24.1
123.08053	12.8
123.11694	3.8
125.06023	4.0
128.06198	8.9
129.07021	17.4
130.07805	8.3
131.08559	46.7
132.09322	3.1
133.06491	3.7
133.10127	40.6
135.08052	12.3
135.11679	12.7
137.09642	10.4
139.07545	2.4
141.06976	7.5
142.07779	20.7
143.08553	34.9
144.09358	13.0
145.06505	2.0
145.10115	52.9
146.10817	2.5
147.08043	20.1
147.11682	17.0
147.23975	1.7
149.09618	9.4
149.13260	2.2
151.07520	5.2
151.11093	2.6
153.06972	1.8
154.07709	2.4
155.08548	18.8
156.09349	18.7
157.10117	56.8
158.10930	10.1
159.08109	7.6
159.11696	35.3
160.12247	2.0
161.09645	8.5
161.13257	7.6
163.11159	8.6
163.14854	2.0
165.06999	4.0
165.09120	26.6
166.07808	1.7
167.08571	7.5
168.09291	8.0
169.10097	22.1
170.10899	12.6
171.08060	1.8
171.11685	31.9
172.12421	5.9
173.09627	6.9
173.13272	21.8
175.11211	14.6
175.14830	12.3
177.12793	4.2
179.08549	6.0
180.09392	4.2
181.10138	13.0
181.12201	8.2
182.10957	8.0
183.11679	26.2
184.12341	5.9
185.09616	3.7
185.13243	17.9
186.14034	2.4
187.11188	4.2
187.14806	6.3
189.12726	7.6
190.13515	4.8
191.10667	3.0
191.14317	2.6
192.09352	3.6
193.10391	8.0
193.11993	7.8
194.10931	5.3
195.11688	20.2
195.13481	2.4
196.12411	7.4
197.09549	2.8
197.13245	20.0
198.10298	2.4
198.13907	2.6
199.11227	4.7
199.14767	7.0
201.12750	4.7
201.16319	3.0
203.14314	14.0
205.12201	2.1
206.10970	3.5
207.11728	9.8
207.13795	7.4
208.12485	5.5
208.14352	2.9
209.13264	17.0
209.15187	3.0
210.13890	3.8
211.11215	3.2
211.14781	10.2
213.12698	2.2
215.14377	2.2
217.10149	1.9
218.10791	1.9
219.11736	2.4
219.13742	3.5
220.12511	2.2
221.13266	7.6
221.15332	47.1
222.13860	3.4
223.11217	2.1
223.14793	9.7
225.12732	2.7
225.16370	6.0
227.14320	3.1
229.12224	1.8
231.11711	3.3
233.13080	3.3
234.14043	2.5
234.16150	6.7
235.14777	4.6
235.16885	2.0
236.15581	2.8
237.12758	7.8
237.16362	7.1
239.14351	2.7
239.17973	2.6
241.15790	1.7
247.14783	3.3
247.16945	9.6
249.16385	3.0
250.17072	1.7
251.14143	1.6
251.18066	2.8
253.16005	3.7
253.19499	2.9
257.18970	2.2
259.14606	2.1
259.16977	2.8
261.16281	3.0
263.17941	4.7
265.19626	3.7
267.17307	2.9
271.16989	1.9
275.18018	3.1
277.15723	2.7
277.19461	2.4
278.16586	1.8
279.17545	2.0
281.18948	3.2
285.18683	3.6
286.19281	2.2
287.20142	2.3
291.17773	1.6
296.21808	1.9
297.18475	1.9
297.22018	1.9
299.20071	9.6
300.20959	2.4
300.28989	2.8
309.21957	1.8
311.19955	2.7
311.29428	4.4
312.20596	2.2
312.24323	2.6
325.21606	8.8
337.21475	6.3
352.23950	66.2
365.24695	9.1
371.22552	1.6
376.27405	2.9
378.25281	2.1
383.25665	1.8
391.26282	4.0
398.28284	7.2
404.30588	6.1
411.29126	2.6
412.29550	13.4
425.30542	3.7
438.31396	13.6
489.33884	7.2
491.35345	9.7
492.35489	8.6
504.35965	100.0
505.36261	5.0
569.39508	3.1
569.48822	1.5
584.42175	22.8
584.55884	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	584.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42471	2.1
55.03983	1.9
55.05500	6.1
57.07073	13.6
59.04997	2.3
64.50008	2.5
67.02410	2.0
67.05499	12.0
69.03408	5.2
69.07047	10.5
70.03928	10.9
70.04312	4.3
70.06582	2.5
70.95001	2.0
71.08626	2.5
71.26888	2.0
77.74380	2.1
79.05497	13.5
81.07047	14.7
83.04932	3.6
85.06548	4.4
89.06042	3.7
89.24133	2.0
91.05467	26.1
91.33792	2.0
93.07032	30.1
95.04964	4.8
95.08601	20.3
97.06534	3.6
105.07032	39.9
106.07815	3.9
107.08601	25.3
109.06505	5.9
109.09454	2.0
109.10133	12.3
111.08131	2.0
112.85976	1.9
117.07005	11.6
119.08572	57.8
121.06496	4.9
121.10146	17.0
123.08051	10.1
123.11705	3.7
125.05972	2.8
128.06181	6.5
129.07004	12.3
130.07791	4.4
131.08582	26.5
132.10213	2.4
133.08601	3.8
133.10115	26.4
135.08043	8.0
135.11714	10.7
137.09593	4.3
139.07536	3.0
141.06940	5.1
142.07785	12.5
143.08533	25.4
144.09300	8.0
145.10104	39.7
147.08067	13.1
147.11659	10.9
149.09619	2.8
151.07518	6.2
155.08530	9.9
156.09352	7.7
156.60721	2.6
157.10109	38.8
158.10863	6.6
159.08101	2.7
159.11696	20.7
161.09628	5.0
161.13266	6.3
163.11160	8.9
165.06963	3.7
165.09099	23.4
168.09332	3.6
169.10158	12.3
170.10893	6.2
171.11671	20.0
172.12405	7.3
173.09602	5.4
173.13181	13.9
175.11214	7.6
175.14799	7.0
177.12692	3.7
179.08621	3.7
181.10086	9.8
181.12334	2.3
182.10898	3.9
183.11659	16.3
184.12434	5.1
185.13283	13.8
187.14870	5.2
189.12723	4.3
191.14241	3.3
193.10123	5.1
193.12268	6.3
195.11676	8.1
196.12405	3.9
197.13220	16.5
198.14056	2.7
199.11177	3.7
199.14799	4.8
201.12877	3.0
201.16393	4.6
203.14278	10.9
206.11005	4.6
207.11713	7.3
207.13722	4.7
208.12602	2.5
208.14496	5.4
209.13264	9.2
210.13942	2.6
211.11209	3.5
211.14761	6.4
212.11998	2.5
213.12819	3.7
221.13394	4.2
221.15341	43.1
222.13797	4.8
222.15808	3.2
223.14790	9.6
224.15521	2.5
225.12801	2.6
229.15903	3.4
233.13208	2.8
234.13968	3.1
234.16122	6.7
235.14796	5.3
237.16324	3.8
247.14673	2.9
247.16922	5.8
251.17905	3.6
256.26340	4.2
265.19449	2.5
271.16931	4.1
276.34738	2.4
281.18985	6.8
283.26276	2.7
296.21451	2.5
297.22174	3.2
299.19925	5.3
300.29074	7.4
311.29425	9.1
325.21552	7.7
326.70712	2.1
328.31900	2.7
337.21594	4.5
352.23923	62.5
365.24789	11.9
378.25717	2.3
383.25665	2.7
398.27982	4.8
404.30600	6.9
412.29807	13.4
420.28204	2.5
438.31256	10.1
489.33829	2.5
491.35086	9.2
492.35309	4.8
504.35938	100.0
505.36203	6.6
569.39636	3.3
584.42078	21.4
584.56030	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.27
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.1
51.50237	0.1
53.03944	0.1
54.21098	0.1
55.01871	0.2
55.05521	0.2
57.03440	0.2
61.02948	0.2
67.05505	0.4
69.03430	0.6
70.06621	0.2
71.60670	0.2
71.61090	0.2
73.02896	0.2
78.04710	0.9
79.05483	0.9
81.03420	0.4
81.07056	0.4
83.04969	0.2
85.02902	1.5
86.28637	0.2
91.05457	0.7
93.07056	0.4
95.04967	0.5
95.08620	0.3
96.05736	0.2
96.99561	0.1
97.02904	0.7
99.04456	0.2
103.05479	0.3
105.07034	0.8
106.04181	0.6
107.04945	1.4
107.08567	0.2
109.02879	0.4
109.06497	0.2
109.10160	0.3
111.08112	0.1
117.06967	0.3
118.04199	0.2
119.04930	0.6
121.02879	0.2
121.06479	0.7
121.10152	0.3
123.04424	4.3
124.05171	1.0
127.03905	0.5
131.04897	0.2
132.25587	0.1
133.06461	1.0
134.03615	0.2
135.04433	0.2
135.08063	0.2
137.05972	0.5
137.09648	0.2
139.03876	1.3
140.04227	0.2
145.04991	0.3
145.06436	0.2
145.10103	0.2
147.04422	1.0
148.04710	0.3
149.05927	0.7
150.06857	0.1
151.03894	0.8
151.07506	0.5
152.04663	1.0
153.01817	1.1
161.06024	0.9
162.07642	0.2
163.03937	0.2
163.07497	0.2
165.09142	0.2
166.06126	0.2
167.07033	100.0
167.82629	0.2
168.07372	0.5
169.09747	0.1
177.09088	0.3
179.07030	0.4
181.08553	0.9
191.03371	1.0
191.07050	0.2
192.03668	0.4
193.08595	5.3
205.08592	0.2
207.10049	0.2
211.09644	18.4
239.09079	0.3
243.06395	0.2
273.07523	0.2
285.07571	0.3
286.07898	0.4
310.02090	0.1
319.12018	0.2
337.12845	0.2
486.32135	0.2
584.28412	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95592	3.3
55.05503	12.3
57.07071	14.3
57.86676	3.1
59.58193	3.2
65.03932	3.7
67.05507	17.4
69.03472	4.1
69.07075	21.1
70.20938	13.6
79.05485	24.6
81.07055	27.0
83.04980	8.6
83.08619	11.6
85.06537	6.7
91.05470	34.8
93.07042	39.3
95.04968	12.9
95.08611	25.6
97.06518	6.2
98.20806	4.4
105.07031	53.4
107.08591	35.3
108.39635	3.6
109.06525	10.4
109.09499	3.7
109.10150	19.8
111.04375	4.7
115.05468	7.4
117.07015	16.9
119.08588	79.2
121.06523	3.6
121.10146	39.7
123.08070	16.0
123.11716	7.2
128.06219	11.4
129.07016	10.8
131.08545	31.0
133.10101	41.3
135.08061	9.4
135.11700	16.3
137.09601	9.6
141.06990	8.1
142.07779	20.5
143.08560	33.0
144.09334	6.7
145.10120	42.9
147.08020	13.2
147.11705	18.1
149.09662	10.1
149.13229	6.4
151.07555	8.8
154.07892	3.5
155.08539	15.7
156.09387	16.6
157.10127	51.6
158.10846	5.2
159.11653	25.2
163.11217	6.6
165.07056	6.8
165.09111	17.2
167.08557	10.1
167.10667	18.2
168.09302	4.1
169.10126	27.2
170.10941	5.8
171.11678	23.0
173.09601	4.6
173.13303	23.6
175.11293	4.3
175.14841	11.7
179.08571	14.8
180.09253	3.6
181.10100	15.3
181.12260	6.3
182.10880	9.0
183.11734	26.0
184.12437	7.9
185.13184	18.5
187.14926	5.6
191.14348	14.3
192.09218	4.0
193.10133	12.3
194.10951	9.9
195.11720	15.8
196.12495	8.1
197.13248	12.7
199.14738	18.2
200.50868	3.5
203.14339	9.8
205.10143	4.7
206.10811	4.9
207.11804	17.4
207.13640	5.8
208.12517	7.7
209.13269	29.3
211.14862	9.8
213.16412	4.7
217.10081	4.5
217.15913	14.5
219.11792	7.4
220.12401	5.4
221.13220	16.9
221.15382	47.0
223.14815	13.2
225.16444	9.2
227.14308	5.1
231.11798	4.4
233.13316	8.2
233.15402	13.0
235.14856	14.7
236.15530	3.9
237.16475	9.1
239.17952	6.7
245.13309	9.5
246.13902	8.6
247.14841	9.6
249.16452	10.8
257.18988	9.9
259.14697	4.8
260.15475	7.3
261.16422	12.9
263.17920	10.9
265.19473	9.6
273.16339	6.0
274.16922	3.8
275.17932	12.3
277.19620	4.3
283.20459	21.0
291.20840	4.0
295.20715	4.6
299.17648	6.5
307.20248	4.5
329.22586	4.9
331.24246	7.5
349.25327	9.4
353.23294	3.7
371.36636	4.0
375.26608	4.3
425.16934	3.4
463.56720	3.7
473.12424	4.0
491.35208	6.1
565.40161	17.1
583.41516	100.0
584.41406	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	583.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82853	1.5
53.03933	2.0
55.05509	12.9
55.52347	1.4
57.03427	1.8
57.07077	8.3
57.21583	1.6
59.04985	4.7
65.03934	4.1
67.05500	19.0
69.03420	5.4
69.07069	18.6
70.73692	4.8
70.74044	2.2
71.04993	2.3
79.05488	19.5
79.08424	1.7
81.07053	28.1
82.07423	1.7
83.04989	8.8
83.08610	8.9
85.06557	6.9
91.05479	42.1
93.06469	3.3
93.07044	51.9
95.04964	12.7
95.08602	32.5
95.93783	1.6
97.06511	5.3
97.10181	1.9
99.08105	1.7
103.05444	2.8
105.07026	67.8
107.08589	40.0
109.06506	8.8
109.10159	20.2
111.08056	4.3
111.11662	1.5
115.05483	5.8
116.06256	2.7
117.07007	13.7
119.08576	73.1
120.08877	2.2
121.06512	4.0
121.10143	49.2
123.08074	13.1
123.11704	5.2
125.06026	3.6
125.09624	3.8
128.06209	10.2
129.07008	11.3
130.07767	5.2
131.08572	29.7
133.06531	3.2
133.10118	38.9
135.08043	8.5
135.11682	11.6
137.09619	13.9
141.07002	6.3
142.07758	19.1
143.08546	37.7
144.09384	6.3
145.06491	1.8
145.10103	54.1
147.08023	14.8
147.11662	17.7
149.09628	6.5
149.13245	2.8
151.07547	12.4
153.06995	2.9
154.07742	3.6
155.08516	11.7
156.09366	17.0
157.10141	51.2
158.10912	6.3
159.08038	4.8
159.11691	28.8
161.09631	5.8
161.13245	6.9
163.11191	6.6
165.06999	5.3
165.09119	26.0
166.07838	3.1
167.08591	8.7
167.10646	19.1
168.09328	6.2
169.10124	25.0
170.10873	9.7
171.11662	30.3
172.12363	2.1
173.09625	2.8
173.13254	22.9
175.11185	4.3
175.14807	9.0
178.07855	2.3
179.08514	12.7
180.09338	4.2
181.10168	19.1
181.12305	5.3
182.10896	8.3
183.11694	29.1
184.12456	6.5
185.13208	17.8
187.11192	3.0
187.14914	8.2
189.12810	5.6
191.14240	8.5
192.09381	6.5
193.10075	12.4
194.10898	12.1
195.11711	21.2
196.12460	4.6
197.09689	2.0
197.13234	20.5
199.11342	2.5
199.14789	13.2
201.12747	2.9
201.16342	4.3
203.08653	2.5
203.14294	11.7
205.10170	5.7
206.10834	8.6
207.11723	19.2
207.13795	7.6
208.12527	8.1
209.13257	25.6
209.15146	2.7
210.14012	2.2
211.11177	1.9
211.14850	13.1
213.12633	2.7
213.16415	4.4
215.14323	3.4
217.10107	2.3
217.15895	10.5
218.10960	3.6
219.11684	5.7
220.12390	8.8
221.13275	16.6
221.15408	45.1
222.13963	3.6
222.15918	1.8
223.14761	15.6
224.15643	2.5
225.12701	2.8
225.16422	5.0
227.18134	2.7
231.11646	6.4
232.12491	5.7
233.13269	12.9
233.15445	6.1
234.14038	7.4
235.14777	11.6
236.15520	1.8
237.16376	7.4
239.18010	2.9
243.11691	3.0
245.13373	6.0
246.14105	6.4
247.14835	6.8
248.15665	3.8
249.16357	9.3
250.17183	2.1
251.18008	6.1
257.13290	3.0
257.19037	5.4
258.14047	2.5
259.14883	6.5
260.15662	5.3
261.16376	9.2
263.17996	5.3
265.19434	7.9
269.19077	5.4
271.14752	2.1
271.20584	2.2
272.15518	2.1
273.16452	4.0
274.17310	2.4
275.17892	8.1
277.19510	3.8
279.20984	2.2
281.18976	3.0
283.20508	12.4
285.16254	2.2
287.17630	2.4
289.19562	5.3
293.19034	3.0
295.20602	4.7
297.22113	4.7
299.20264	3.4
301.19376	3.1
303.20999	2.0
309.21909	2.9
315.21011	2.4
317.22610	3.1
319.20654	1.8
329.22830	3.2
331.24289	5.0
335.23465	2.4
342.23514	1.8
349.25314	6.7
353.23877	2.4
357.25763	2.3
361.25262	2.7
365.24991	2.6
375.26813	5.3
403.30023	4.3
427.29697	2.2
491.35001	5.4
503.35791	2.2
547.39331	3.6
565.40363	22.9
566.40802	2.5
583.41437	100.0
584.41925	10.0
592.05878	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	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68961	1.1
53.03943	2.4
55.05508	15.6
57.07074	9.3
59.04994	4.9
65.03949	2.8
67.05496	21.0
69.03429	8.0
69.07071	15.0
69.40607	9.0
69.41016	2.5
77.03923	1.5
79.05492	23.8
81.03435	1.9
81.07054	30.5
83.04971	6.1
83.08611	8.1
83.21975	1.2
85.06549	5.6
91.01669	1.3
91.05475	39.6
93.07040	50.8
95.04957	10.7
95.08601	33.5
97.06527	3.7
97.10173	1.7
103.05476	5.0
105.04568	1.9
105.07029	72.2
107.08587	41.9
109.06528	11.2
109.10147	19.1
111.08107	2.5
115.05489	4.5
116.06264	2.3
117.07018	14.8
119.08575	76.1
120.08914	1.4
121.06513	7.1
121.10136	42.7
123.08041	15.2
123.11697	7.0
125.06020	3.8
125.09652	1.7
128.06232	9.2
129.07008	18.0
130.07788	6.0
131.08566	32.9
133.06537	2.6
133.10126	34.5
133.11063	2.3
135.08055	11.9
135.11687	14.8
137.09630	11.2
139.10223	1.2
139.11211	3.0
141.06970	8.0
142.07782	20.8
143.08556	35.8
144.09311	6.6
145.06511	1.2
145.10115	46.7
147.08057	18.4
147.11687	12.3
149.09636	5.2
149.13290	2.6
151.07530	13.9
151.08632	1.5
151.11197	2.1
153.07005	4.1
154.07777	3.4
155.08525	19.9
156.09355	19.1
157.10120	51.0
158.10948	7.9
159.08072	2.6
159.11691	24.2
161.09651	5.4
161.13260	5.4
163.11188	8.2
163.14755	1.3
165.07016	10.5
165.09097	31.8
166.07765	4.3
167.08563	10.3
167.10658	13.2
168.09317	7.4
169.10126	27.1
170.10892	10.6
171.11674	29.0
172.12480	2.6
173.09639	3.3
173.13251	23.5
175.11244	3.9
175.14828	8.6
178.07790	2.4
179.08549	12.4
180.09343	5.5
181.10123	15.8
181.12198	7.0
182.10907	9.3
183.10088	0.9
183.11687	27.3
184.12515	4.3
185.09666	2.1
185.13235	17.1
187.11217	2.6
187.14850	6.2
189.12740	7.4
191.14207	7.5
192.09308	7.2
193.10150	15.1
193.11937	2.4
194.10901	12.1
195.11673	22.8
195.13457	2.4
196.12486	5.8
196.92679	1.3
197.13274	20.4
198.13936	2.8
199.11127	2.7
199.14828	15.7
201.16464	2.5
203.14275	13.3
204.09399	1.3
205.10152	4.2
206.10896	6.4
207.11751	14.7
207.13858	6.7
208.12439	7.2
209.13266	23.5
209.15172	1.3
210.14061	3.6
210.72935	1.3
211.11342	1.2
211.14842	10.1
213.12834	2.5
213.16428	3.7
215.14360	2.9
217.10173	3.2
217.15891	10.1
218.10933	4.3
219.11638	8.8
219.17679	2.0
220.12526	6.1
221.13277	14.3
221.15422	57.0
222.13986	4.8
222.15828	1.7
223.14818	14.2
224.15547	2.1
225.12804	1.8
225.16389	4.0
227.14357	4.5
229.10089	1.4
229.15834	2.3
230.10927	2.1
231.11719	5.5
231.17526	2.2
232.12520	4.2
233.13261	11.3
233.15439	4.8
234.14053	3.5
235.14864	12.2
236.15701	3.5
237.16354	8.8
239.14409	2.0
239.18056	5.5
242.11116	1.4
243.11768	3.4
244.12451	2.4
245.13145	5.9
246.14044	3.6
247.14832	8.8
247.17073	2.0
248.15613	3.2
249.16318	9.1
250.17108	2.4
251.14372	1.8
251.17976	5.2
253.19530	2.1
257.13214	2.5
257.18945	6.5
258.14175	1.7
259.14890	5.4
260.15753	3.9
261.16351	7.7
262.17258	2.8
263.17975	5.9
265.19540	8.1
269.19003	3.0
270.14105	1.7
271.14676	2.4
271.20639	4.3
273.16385	3.4
274.17114	1.4
275.17859	11.4
275.20169	1.3
276.18622	1.7
277.19553	2.9
278.20096	1.2
279.17468	2.6
281.19055	3.3
283.20535	17.4
285.16351	2.2
286.19406	3.3
287.20206	4.1
289.19510	4.6
290.20331	2.9
291.20975	2.4
293.18982	2.6
295.20584	5.4
297.22244	4.0
299.20370	1.6
300.18326	1.4
300.21298	1.4
301.19568	3.5
303.21109	1.7
307.20532	1.6
315.21231	2.1
317.22644	2.6
319.20779	2.3
329.22849	1.4
331.24176	6.6
333.22229	1.7
335.23615	1.5
341.22684	1.8
347.23795	3.4
347.78421	1.3
349.21503	1.2
349.25153	7.6
357.25958	2.1
361.25415	2.5
375.26804	6.0
379.26331	2.1
403.30048	5.1
416.60629	1.4
491.35080	6.0
503.35214	5.1
509.33279	1.4
547.39331	3.5
565.40503	21.1
567.96118	1.3
583.41479	100.0
584.41736	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	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.05509	13.2
57.07069	8.6
59.04988	4.0
65.03926	2.6
67.05165	1.6
67.05501	19.5
69.03426	6.9
69.07064	14.9
69.55065	8.4
71.61303	0.8
79.05488	21.1
81.03409	1.4
81.07048	28.3
83.04987	5.9
83.08601	5.8
85.06535	6.6
91.04887	1.2
91.05473	41.8
93.07036	48.6
95.04965	10.7
95.08601	33.0
97.06528	4.2
97.10191	1.5
103.05445	4.3
105.04526	1.7
105.07026	61.4
107.07859	1.9
107.08587	38.1
109.06499	8.5
109.10139	17.3
111.08096	2.4
115.05439	4.3
116.06242	1.4
117.07002	15.0
119.08572	67.1
120.08951	1.0
121.06512	5.6
121.10137	40.7
123.08054	19.3
123.11704	4.8
125.05990	2.9
125.09611	2.3
128.06216	12.0
129.07001	13.2
130.07771	5.8
131.08565	29.1
132.09383	1.3
133.06497	3.1
133.07556	1.0
133.10124	34.2
135.08034	10.4
135.11688	11.4
137.09601	10.1
139.11188	1.8
141.07004	8.6
142.07770	21.6
143.08551	33.4
144.09320	7.1
145.06487	2.2
145.10110	46.4
146.10768	1.3
147.08034	18.0
147.11678	12.3
149.09579	4.9
149.13242	4.4
151.07533	17.7
151.11171	1.5
152.06114	1.1
153.06953	5.3
153.09053	1.0
154.07788	2.8
155.08548	14.2
155.10503	1.1
156.09338	16.1
157.10124	48.0
158.10930	6.4
159.08061	4.2
159.11682	24.0
161.09622	6.0
161.13239	7.0
163.11157	6.4
163.14838	1.2
165.07053	5.4
165.09109	35.7
166.07779	3.3
167.08554	8.9
167.10652	8.8
168.09317	8.1
169.10129	23.3
170.10941	7.8
171.11688	27.1
171.13141	2.0
172.12434	1.8
173.09627	3.3
173.13255	19.2
173.14662	1.5
175.11253	4.8
175.14809	6.4
177.09100	1.6
178.07788	1.9
179.08543	13.1
180.09319	6.0
181.10130	15.1
181.12199	3.9
181.79399	1.0
182.10893	8.6
183.11688	27.3
184.12436	5.5
184.25400	0.9
185.09669	1.3
185.13257	17.9
186.10310	1.1
186.13863	1.2
187.11183	1.9
187.14809	6.2
189.12737	5.9
189.16388	1.5
191.08632	2.7
191.14326	6.5
192.09331	4.8
193.10126	12.5
194.10892	12.3
195.11691	23.5
196.12485	5.9
197.09601	1.0
197.13243	19.1
198.13986	2.0
199.11295	2.2
199.14803	13.7
200.93974	0.9
201.12819	2.4
201.16377	1.0
202.07654	1.0
203.08598	2.1
203.14304	17.2
204.09322	1.0
205.10130	4.0
205.15820	1.6
206.10945	5.7
207.11719	16.4
207.13812	6.4
208.12405	7.1
209.13249	25.2
209.15164	1.7
210.13968	3.2
211.11351	1.2
211.14804	11.2
212.15454	1.4
213.12790	3.0
213.16341	4.9
215.14348	2.2
217.10141	3.4
217.15891	9.3
218.10905	3.0
219.11688	7.4
219.17453	1.7
220.12483	6.6
221.13261	14.4
221.15405	54.9
222.14049	4.2
223.14781	12.8
224.15576	2.2
225.12715	2.6
225.16278	5.8
227.14383	3.0
227.17918	1.8
229.09996	2.3
229.15852	2.1
230.10855	2.1
231.11740	3.9
231.17502	2.9
232.12482	4.3
233.13271	10.7
233.15372	4.3
234.14075	5.6
234.16046	1.0
235.14793	13.6
235.16898	1.7
236.15494	2.0
237.16344	5.8
239.14296	1.9
239.17955	4.1
241.15948	1.4
241.19374	1.3
243.11723	1.9
244.12407	1.9
245.13251	6.9
246.14037	5.7
247.14854	10.2
247.16908	1.9
248.15610	2.3
249.16385	7.6
250.17163	2.6
251.17993	5.3
253.15886	1.7
255.17484	1.4
257.13254	2.1
257.18970	5.8
258.14081	3.2
259.14713	4.8
260.15512	4.3
261.16269	8.9
262.13522	1.0
262.17032	1.7
263.17902	5.6
265.16690	1.3
265.19467	7.4
267.17441	1.0
269.19052	4.1
270.14249	1.0
271.14789	2.2
271.20587	2.2
272.15576	1.6
273.16122	4.9
274.17154	1.5
275.17874	7.6
276.18680	1.3
277.19550	3.5
279.21149	2.8
281.18991	3.2
283.14960	1.1
283.20496	10.5
285.16214	1.4
286.17032	1.3
287.17603	1.9
287.20392	1.2
288.18719	1.3
289.19354	4.9
291.17667	1.2
291.20993	1.9
293.18954	2.3
295.14886	1.1
295.20605	3.2
297.22208	3.9
299.17780	2.0
300.20984	2.2
301.19482	2.8
303.20969	2.0
309.22028	2.3
312.21063	1.5
315.21143	1.5
317.22668	1.2
319.20636	1.2
321.22205	1.1
329.22726	1.9
331.24329	3.3
333.22122	1.3
335.23822	1.2
343.23520	1.0
347.23584	2.2
349.25107	6.3
352.23822	1.9
357.25525	1.8
361.25287	1.7
365.24817	2.0
375.26825	5.4
375.77420	1.1
403.29922	6.3
487.71014	0.9
491.35074	3.3
503.35300	5.2
509.34503	1.5
534.72461	0.9
547.39301	2.9
565.40387	22.1
580.45361	1.2
583.41431	100.0
584.41766	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	583.4143
Annotation	Diadinochrome
Peak:m/z	Relative Intensity
53.03946	1.0
55.05513	3.2
57.07082	3.2
59.04999	1.0
65.03920	0.6
67.05499	7.3
69.03428	2.5
69.07067	4.5
69.41535	5.2
71.49621	0.6
79.05496	5.4
81.03420	0.8
81.07061	9.6
83.04968	1.3
83.08612	1.3
85.06548	2.1
91.05474	9.4
93.06463	1.2
93.07040	15.2
95.04973	2.8
95.08603	14.9
97.06546	0.9
97.10179	0.6
105.07027	18.5
107.08592	9.8
109.06503	2.6
109.10140	6.0
111.08082	0.6
115.05450	0.9
117.06980	3.1
119.08572	16.8
121.06518	2.7
121.10143	14.0
123.08071	9.3
123.11709	1.8
126.15916	0.6
128.06248	1.9
129.07002	3.3
130.07809	1.0
131.08560	7.6
133.06500	1.3
133.10126	9.5
135.08049	4.7
135.11719	2.7
137.05893	0.5
137.09615	5.4
141.07018	1.8
142.07773	5.4
143.08563	9.0
144.09335	2.2
145.06371	0.6
145.10114	12.3
147.08038	10.3
147.11696	3.5
149.09608	2.2
151.07544	14.3
153.07013	1.0
154.07835	0.5
155.08537	4.0
156.09352	4.5
157.10124	17.9
158.10919	1.2
159.08035	1.0
159.11688	8.3
160.08919	0.5
161.09656	2.4
161.13298	3.2
161.14496	0.5
163.11240	2.3
165.09109	23.7
166.07813	0.6
167.08624	2.6
167.10730	1.3
168.09380	1.8
169.10126	6.0
170.10922	3.2
171.11687	10.2
172.12396	1.0
173.09607	1.4
173.13258	5.4
175.11235	1.3
175.14832	1.8
177.12778	0.8
179.08553	2.8
180.09377	1.5
181.10146	4.5
181.12119	1.3
182.10883	2.8
183.11703	7.5
184.12437	1.5
185.13240	7.2
187.11118	1.4
187.14868	1.9
189.12755	4.8
191.14363	1.1
192.09384	1.2
193.10152	4.1
194.10965	2.4
195.11678	8.2
196.12543	1.9
197.13245	8.2
199.11098	0.6
199.14836	3.1
200.68088	0.6
201.12775	0.9
201.16380	0.6
203.14311	9.8
205.10159	0.7
206.11006	1.8
207.11743	5.0
207.13834	5.6
208.12483	1.6
209.13260	8.3
209.15105	1.0
210.13901	1.1
211.11214	1.0
211.14832	3.9
212.15704	0.7
213.12794	1.6
213.16367	2.8
215.14322	0.8
217.10181	1.2
217.15952	0.9
218.10721	0.7
219.11729	1.8
220.12497	1.6
221.13266	4.7
221.15327	37.2
222.13869	1.3
222.15825	0.8
223.14865	4.1
224.15599	1.0
225.12773	0.6
225.16377	2.2
227.14413	0.8
229.15964	0.8
231.11746	1.8
231.13824	0.8
231.17513	1.7
232.12402	0.8
233.13289	2.5
233.15456	1.3
234.14130	1.3
235.14871	4.0
236.15536	0.9
237.12666	0.8
237.16434	2.3
239.17950	1.9
241.15877	1.0
243.11635	0.6
244.12447	0.6
245.13249	1.5
247.14851	2.3
247.16927	1.3
249.16496	2.1
250.17325	0.7
251.18048	2.3
253.19481	1.6
257.19070	2.1
259.14835	1.8
261.16443	2.1
262.17322	0.7
263.17972	2.0
265.19620	2.0
269.19028	1.4
271.20636	1.2
273.16449	2.0
275.17950	2.2
277.19510	2.1
279.21176	1.7
281.18991	0.9
283.20605	2.8
286.19476	1.0
287.20163	1.7
289.19391	1.1
291.20996	1.1
293.19168	0.8
295.20633	2.4
297.22177	3.8
301.19342	1.1
305.22678	0.7
309.22195	1.1
315.21167	1.0
317.22821	0.9
319.20551	0.8
329.22629	0.8
331.24387	1.1
333.22333	0.7
347.23776	0.9
348.24609	0.9
349.25308	2.0
352.23996	2.0
357.25790	1.5
365.24716	1.7
371.02280	0.6
375.26761	5.6
385.29227	0.8
403.29980	7.4
403.34946	0.7
491.35196	0.7
503.35135	3.4
503.55798	0.6
509.34314	1.7
547.39111	2.5
565.40405	24.4
566.40625	0.7
583.41449	100.0
584.41772	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	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.05506	4.2
57.07070	4.8
59.04986	2.1
65.03941	1.3
67.05501	10.0
69.03431	4.1
69.07058	4.9
70.26804	1.3
72.56487	0.5
79.05064	0.5
79.05489	7.6
81.07049	11.7
83.04968	1.8
83.08607	2.5
85.06526	2.6
91.05468	12.8
93.07037	25.3
95.04953	5.4
95.08599	20.1
97.06529	1.9
97.10156	1.0
103.05463	1.3
105.07018	27.2
107.04972	1.3
107.08581	15.1
107.09283	1.0
109.06497	3.7
109.10144	6.7
111.08092	1.3
115.05437	0.9
117.07020	5.3
119.08573	24.4
121.06525	2.6
121.10132	17.3
122.07256	0.5
123.08054	13.2
123.11701	2.3
125.06002	1.1
125.09630	0.6
128.06224	2.2
129.06999	5.5
130.07790	2.1
131.08553	11.7
133.06488	1.6
133.10118	14.2
135.08047	6.8
135.11688	3.6
137.05968	0.7
137.09601	8.3
139.07419	0.6
139.11148	0.6
141.06990	2.1
142.07770	6.8
143.08542	12.0
144.09335	2.0
145.06491	0.7
145.10110	15.5
147.08028	14.7
147.11682	5.2
149.09598	2.7
149.13271	0.9
151.07526	17.4
151.11205	0.6
153.07004	1.0
153.08986	0.6
154.07774	0.9
155.06073	0.5
155.08571	5.5
156.09344	6.4
157.10110	21.7
158.10889	1.8
159.08096	2.0
159.11673	11.8
161.09622	3.7
161.13257	4.9
163.11172	3.3
163.47983	0.5
165.06958	1.4
165.09099	31.5
166.07791	1.0
167.08565	2.5
167.10646	1.0
168.09334	1.8
169.10107	9.8
170.10858	4.0
171.11673	13.0
172.12369	0.8
173.09637	1.4
173.13222	7.1
175.11197	1.9
175.14795	2.6
177.09088	1.0
177.12672	0.7
179.08546	4.5
180.09352	1.2
181.10129	6.1
181.12207	1.6
182.10898	3.4
183.11664	7.8
184.12453	1.5
185.09511	0.7
185.13239	9.6
185.14813	0.6
187.11247	1.9
187.14830	2.3
189.12770	4.9
191.08542	0.8
191.14355	1.9
192.09323	1.4
193.10118	5.4
194.10834	3.5
195.11668	8.9
196.12457	2.8
197.09618	0.6
197.13257	10.1
198.13962	0.9
199.11153	1.1
199.14760	3.2
201.12735	1.5
201.16426	0.7
203.14296	12.9
205.10167	1.7
206.10875	2.6
207.11719	6.3
207.13823	5.4
208.12476	3.7
209.13260	11.5
209.15182	0.6
210.14024	2.0
211.11131	0.6
211.14807	5.4
212.15553	0.6
213.12859	1.1
213.16357	3.1
215.14407	1.1
217.10202	0.9
217.15837	0.6
218.10980	0.8
219.11763	2.3
219.17354	0.7
220.12502	1.6
221.13252	5.8
221.15312	44.0
222.14026	1.5
222.15968	0.8
223.11339	0.5
223.14772	6.1
224.15491	1.0
225.12866	0.9
225.16374	2.1
227.14366	1.1
227.17950	0.8
229.15875	1.1
231.11703	1.9
231.17438	2.5
232.12448	0.8
233.13281	3.2
233.15407	1.3
234.13960	1.5
235.14783	4.1
236.15515	1.2
237.12675	0.7
237.16365	3.1
239.14336	0.9
239.17944	2.3
241.15865	0.7
241.19572	0.6
243.11621	0.6
244.12515	1.4
245.13246	2.5
246.14030	1.5
247.14799	2.8
247.17026	1.6
248.15578	1.0
248.47159	0.5
249.16446	3.3
250.17159	0.7
251.14925	0.7
251.17926	2.3
252.18547	0.6
253.16000	1.0
253.19513	1.8
257.19144	1.7
258.14099	0.7
259.14758	1.7
260.15561	1.6
261.16449	2.4
262.17291	0.9
263.18011	2.1
265.19568	2.3
267.17410	0.9
269.18973	1.6
271.14325	0.6
271.20667	2.2
272.15536	0.6
273.16357	1.0
274.16891	0.6
275.17908	2.1
277.19534	1.6
279.21127	2.2
281.19086	1.2
283.20578	3.1
286.19403	1.3
287.17545	0.9
287.20169	1.9
289.19467	0.6
291.21185	1.2
293.18893	0.7
295.20544	3.1
297.22168	4.4
299.20331	1.1
301.19391	0.8
303.21152	0.8
307.20581	0.7
309.21964	0.8
315.21091	1.0
316.21460	0.7
319.20566	0.8
319.24005	0.7
331.24121	1.0
333.22183	1.1
335.23816	0.6
347.23801	1.2
348.24527	0.9
349.25348	2.3
352.24011	1.5
357.25854	1.7
365.24728	2.1
375.26779	4.5
384.37744	0.5
385.28787	1.0
403.30014	7.0
419.56549	0.5
421.31488	0.6
503.35233	4.0
509.33963	2.0
529.54657	0.6
547.39410	2.5
565.40375	23.6
566.40723	0.9
583.41412	100.0
584.42120	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	583.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36666	1.4
53.03927	5.3
55.01852	5.1
55.05264	1.9
55.05508	26.8
57.03434	10.6
59.04984	5.2
65.03925	2.8
67.05499	91.6
69.03139	1.6
69.03431	19.3
69.07067	9.2
71.01328	1.8
71.04980	8.8
71.38590	1.5
72.19762	1.5
79.05489	24.6
81.03410	90.1
81.07052	36.4
83.04971	16.8
83.08611	26.7
85.02898	21.1
85.06522	4.7
91.05472	31.3
93.07035	20.8
95.04955	26.1
95.08597	17.4
97.02885	16.0
97.06508	3.3
97.10156	13.0
99.04442	3.8
99.08113	1.9
103.03934	2.5
105.06377	2.0
105.07026	19.7
107.04933	10.6
107.08611	12.0
109.02869	17.6
109.06502	6.2
109.10149	69.7
111.04459	14.6
111.08057	9.0
113.05981	2.1
115.05439	2.1
117.07025	3.6
119.08576	21.3
121.06487	5.5
121.10116	8.9
123.04417	9.0
123.08055	2.6
123.11700	2.3
125.09607	11.1
127.03887	9.6
129.05502	2.9
129.07002	9.6
131.04926	2.5
131.08553	10.0
133.06454	3.5
133.10136	10.1
135.08008	4.2
135.11682	2.9
137.06061	2.0
137.09601	3.8
139.03822	1.9
142.07793	2.5
143.08501	2.5
145.06558	2.4
145.10132	4.9
147.04417	3.0
147.08090	3.9
147.11674	10.7
149.05956	3.7
149.09610	5.1
149.86351	1.6
153.12740	1.9
155.08543	1.8
155.10721	2.8
157.10112	9.5
161.06007	2.5
163.11133	2.9
165.12755	2.9
169.10139	1.5
171.11659	3.5
173.11732	17.9
175.07599	1.9
175.11168	5.5
189.11192	6.9
189.12723	2.2
191.14384	1.4
193.12230	26.8
195.11848	1.5
197.11591	1.8
211.13274	41.0
217.12204	2.0
227.12798	6.7
229.14320	27.0
235.13145	3.2
236.00121	1.7
239.95807	1.6
249.14955	1.7
267.15848	11.1
273.14603	1.7
275.76569	1.8
277.14276	5.0
281.13889	3.4
283.15460	2.4
285.16812	5.8
299.14841	10.0
301.14310	3.5
309.16943	4.9
331.17532	3.4
337.16309	3.6
351.17932	2.4
355.17645	10.0
373.18594	4.3
411.20029	3.5
413.23206	1.9
421.25906	11.1
431.24451	2.1
439.26761	22.6
445.25708	2.0
455.25955	2.7
463.27017	2.9
487.26959	3.4
505.28061	12.8
517.27368	2.1
529.28027	2.7
535.28998	2.7
547.29254	7.6
565.29901	16.1
583.30981	100.0
584.31573	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	583.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.1
53.03947	6.2
55.01858	5.3
55.05508	26.3
57.03428	8.4
64.25868	1.4
65.03938	3.6
67.05502	82.0
69.03425	19.7
69.07056	8.1
71.04992	9.2
71.60409	1.9
73.02902	1.6
79.05491	27.8
81.03413	83.9
81.07060	32.0
83.04973	18.3
83.08624	23.3
85.02901	20.3
85.06556	5.4
91.05475	31.8
93.07042	18.0
95.04959	20.9
95.08596	14.1
97.02888	16.6
97.06522	4.3
97.10151	10.1
99.04456	4.9
99.08085	2.0
103.03941	1.9
104.77334	1.8
105.07023	19.0
107.04952	9.6
107.08583	12.8
109.02882	14.7
109.06507	4.5
109.10152	53.8
111.04422	16.7
111.08065	9.3
115.05452	2.9
117.07018	4.7
119.04926	3.8
119.08587	17.7
121.06498	3.6
121.10120	8.6
123.04421	52.3
123.08054	2.8
125.09637	9.3
127.03916	12.4
129.06993	4.9
129.08891	1.7
131.04890	2.4
131.08549	11.4
133.06494	5.0
133.10103	11.4
135.04468	2.2
135.08025	2.1
135.11723	4.3
137.05972	5.6
137.09593	5.9
139.03896	38.5
143.08545	1.8
143.82037	1.7
145.06479	2.3
145.10121	4.5
147.04420	10.7
147.08037	2.0
147.11679	11.2
149.09615	4.7
151.03922	4.7
151.07414	2.4
151.36603	1.9
153.01865	3.0
153.09100	2.3
157.10103	9.4
159.11694	2.8
160.84666	1.7
163.03940	2.8
163.11205	4.8
165.12787	3.6
167.07086	3.7
171.08145	1.8
173.09567	1.8
173.11725	16.8
175.11223	8.1
177.05470	2.2
177.12726	2.1
181.12282	2.2
189.05486	2.6
189.11261	3.9
189.12788	3.4
191.03401	7.1
191.10629	2.4
193.08568	2.2
193.12244	32.2
211.13274	44.0
227.12793	8.3
229.14301	16.4
235.09807	1.7
235.13141	3.3
246.50064	1.6
267.15887	10.3
271.77957	1.8
273.07669	9.0
273.14984	3.5
275.19861	2.4
285.07501	3.9
285.10208	2.1
285.16946	4.5
287.64413	1.9
299.14951	7.2
301.14343	4.1
309.16959	2.5
337.16391	4.1
355.17737	10.3
364.12692	2.1
365.10162	3.1
373.18396	3.4
399.62473	1.8
411.19943	3.8
421.25797	9.4
427.16251	2.1
439.26889	18.8
491.18250	1.8
505.27585	3.9
547.28436	5.6
565.29364	10.1
583.31421	100.0
584.29688	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	583.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.1
56.96556	1.2
59.98909	0.7
62.27953	0.7
65.03922	0.8
66.66479	0.7
67.05484	1.4
67.15330	0.7
68.82610	0.7
68.99764	1.7
69.03395	1.2
70.01794	4.2
81.03388	2.3
83.04955	0.8
93.03382	1.3
95.03026	0.8
95.04952	3.3
97.02934	0.9
98.21368	1.2
107.04978	1.0
111.04426	2.5
115.05449	1.1
119.04931	4.7
123.04423	58.8
124.04734	0.8
127.03918	3.5
133.06505	1.2
134.26245	0.9
135.04439	1.8
137.02316	1.4
137.05928	1.3
139.03893	100.0
140.04243	1.0
143.04916	1.4
147.04391	16.6
151.03876	2.6
153.01808	6.9
154.02122	1.0
161.05971	7.1
163.03807	1.4
165.05478	14.1
169.05031	1.8
177.05412	1.0
179.07016	1.9
189.05515	1.3
207.06517	5.9
221.00804	1.3
226.98672	1.0
249.07498	1.4
273.07599	2.2
277.03320	1.8
291.08609	48.6
303.01355	3.7
438.91812	1.1
493.04178	0.8
552.51910	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84899	1.2
53.03942	3.7
54.09828	1.1
55.01871	2.0
57.03423	1.6
61.02925	2.2
61.13770	1.0
67.05479	1.4
69.03419	7.4
70.06564	1.7
71.61471	1.4
77.87415	1.1
79.05486	6.2
81.03395	4.8
84.26189	1.2
85.02909	13.5
91.05479	3.6
93.07079	1.3
95.04955	12.4
97.02901	4.4
99.04446	1.4
102.70147	1.1
103.05463	2.1
105.07026	2.8
107.04268	2.2
107.04943	19.6
107.08603	1.9
109.02870	1.9
109.06489	1.9
111.04463	1.4
115.05469	3.4
116.98554	1.4
117.07014	5.8
121.06467	3.0
121.10154	1.5
123.04421	20.7
124.05215	3.8
125.05995	1.9
126.68835	1.3
127.03940	3.3
128.06213	2.3
129.06993	6.2
131.04918	2.8
131.08560	4.5
132.05713	1.5
133.02832	1.2
133.06503	2.6
134.99648	1.1
135.04347	1.4
135.08018	1.3
137.05969	15.2
139.03877	6.0
139.07671	1.3
140.04761	2.4
141.07004	2.2
143.08551	1.3
144.05727	5.4
145.04956	1.6
145.06467	12.8
147.04424	3.7
147.08081	1.2
149.05939	3.2
151.07565	1.5
152.04660	2.3
153.05467	6.3
154.06264	2.9
155.06024	1.5
155.07040	10.9
156.05659	5.8
157.06512	3.9
158.07234	1.6
159.08057	11.0
161.05974	5.5
165.05464	2.4
167.07028	73.3
168.07730	2.3
169.04959	2.6
169.06413	1.7
170.07246	1.5
171.08072	1.7
173.05988	19.0
174.06758	3.2
175.07521	2.8
177.00774	1.5
177.05539	2.9
179.07025	3.3
180.07874	1.5
181.05005	2.7
181.08502	3.0
182.09380	6.8
183.06508	28.7
183.08058	2.4
184.05319	3.0
184.07335	9.2
184.53654	1.2
187.07509	12.1
189.05455	2.2
189.07335	1.1
189.09085	4.7
190.06242	7.5
191.08551	1.7
192.07797	3.4
193.08586	2.1
194.09361	1.9
202.06245	4.8
203.07082	7.2
203.08740	1.5
204.07774	3.3
205.08568	21.5
205.10318	2.4
207.10088	2.4
208.08835	2.9
210.08797	12.4
215.06976	2.1
217.08569	49.1
217.10640	2.4
218.07326	4.3
218.09389	9.4
219.08028	7.2
219.10184	10.7
220.08859	2.5
220.10938	8.0
221.09692	1.8
223.09146	1.5
226.06154	1.7
229.08513	1.9
230.09377	2.8
231.08057	4.0
232.37718	1.2
233.09641	5.6
234.06693	2.4
234.08882	4.8
235.07599	3.1
235.09700	3.6
236.08286	4.6
236.10487	2.1
238.12009	8.1
241.08548	3.7
246.06769	1.7
247.07494	11.2
247.09671	2.3
248.08281	6.4
248.10461	8.9
249.05515	2.3
249.08954	6.3
249.11238	6.1
251.10760	3.5
259.07501	1.9
260.08221	2.0
261.09131	9.8
262.06238	2.2
262.09918	1.4
263.07004	3.7
263.10754	3.8
264.07745	9.2
265.08569	3.6
266.11545	2.9
275.07050	3.6
276.07898	4.1
277.08459	7.0
278.09427	4.9
279.06934	1.6
279.10129	13.8
281.08069	2.7
281.11554	1.9
283.12207	1.6
284.74271	1.2
289.08572	4.7
290.09396	1.5
291.06580	2.9
291.10095	6.6
292.07254	2.6
293.08084	5.4
293.11719	7.1
294.08493	1.6
295.09589	2.7
296.10425	3.0
305.08118	2.4
306.08719	3.4
307.09579	18.6
308.10291	4.5
309.07684	1.6
309.11191	3.3
310.11987	2.6
311.12665	9.0
315.08618	1.8
321.07764	1.9
321.11060	7.3
322.12134	1.7
323.09119	4.0
323.12753	2.8
324.09805	1.9
325.10638	1.8
329.10141	3.0
330.10843	2.2
336.09900	2.0
337.10742	4.3
338.11478	4.9
339.12198	12.1
341.13901	2.8
344.12595	9.6
351.12259	2.9
353.13968	6.2
355.11667	1.9
356.12646	2.8
359.14957	4.2
368.12628	1.6
369.13309	26.3
370.13864	5.8
371.14856	88.7
372.14847	3.8
383.14880	4.6
384.15536	6.0
387.14120	12.1
388.17612	8.4
388.67712	3.5
389.15976	14.7
401.15924	100.0
402.16602	38.0
402.21680	2.5
408.19199	2.1
408.69019	4.1
419.16956	21.4
420.17746	34.8
431.17026	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	582.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05793	1.2
53.03942	3.0
55.01869	1.6
61.02930	2.0
69.03426	7.0
70.28338	6.8
73.02943	1.4
79.05491	6.7
81.03409	3.1
85.02914	10.2
91.05482	3.4
93.07087	2.0
95.04960	12.5
97.02888	5.9
103.05481	1.5
105.07024	2.4
107.04935	19.4
109.06593	2.3
110.04015	1.5
115.05448	4.2
117.07013	6.2
123.04429	19.6
124.05254	4.2
125.05957	3.9
125.79490	1.8
127.03950	3.2
128.06203	1.9
129.07033	3.4
131.04936	2.3
131.08565	4.0
133.02843	2.0
133.06483	3.6
137.05972	14.7
139.03938	6.0
140.04675	2.9
141.05482	1.8
141.06969	2.2
144.05716	3.1
145.06482	13.0
147.04379	3.1
149.05943	3.6
151.05376	1.5
152.04691	1.6
153.01805	1.5
153.05466	6.6
154.06230	1.6
155.04967	1.5
155.07047	10.9
156.05681	5.3
157.06473	3.4
158.07222	1.8
159.08025	11.4
160.05257	2.5
161.05974	5.4
165.05499	4.1
167.07022	64.1
168.07756	4.2
169.04961	1.9
169.06346	1.8
171.08112	1.6
173.05969	17.3
174.06720	1.8
175.07625	2.7
177.05469	3.4
179.07187	1.5
181.05022	3.2
181.08528	4.6
182.09395	7.9
183.06517	29.4
184.05544	2.2
184.07304	12.0
187.07515	12.3
188.08484	1.5
189.09113	4.1
190.06171	7.6
191.07008	2.9
192.07793	3.5
193.08597	3.3
194.09270	2.4
202.06288	5.0
203.07089	6.7
204.07776	3.6
205.06749	2.7
205.08565	22.1
205.10291	1.9
206.07205	2.1
206.09308	1.4
210.08838	13.2
211.07526	1.8
215.07042	2.2
217.08580	52.5
217.10651	3.1
218.07411	2.6
218.09344	9.2
219.08078	5.5
219.10197	11.4
220.08955	1.6
220.10867	7.5
231.07971	4.3
232.08722	1.9
233.05960	1.8
233.09665	3.8
234.06784	1.9
234.08904	5.6
235.07477	4.1
235.09544	2.9
236.08325	2.1
238.12047	8.3
241.08614	1.9
245.09686	1.8
247.07478	9.1
247.09666	2.7
248.08220	4.2
248.10478	12.9
249.09062	5.6
249.11261	5.9
250.11974	2.5
251.06970	1.7
261.09045	8.4
262.09906	2.4
263.06946	4.1
263.10681	6.2
264.07773	6.3
265.08536	3.6
266.11423	4.1
267.06299	1.7
269.08163	1.9
275.06885	1.7
276.07745	2.6
277.08435	9.3
278.09372	4.6
279.10132	13.7
289.08652	3.0
290.09561	2.1
291.10233	7.8
292.07370	2.3
292.10605	1.9
293.08069	5.7
293.11685	5.9
295.09589	2.4
296.10648	2.0
305.08078	2.5
306.08765	2.8
307.09546	13.5
308.10315	5.0
309.11212	5.0
311.12759	9.6
319.09567	2.1
321.11188	6.0
322.11960	1.7
323.09195	3.5
323.12582	2.2
325.10565	3.7
326.11435	1.5
329.10193	2.3
330.10873	2.1
337.10645	4.8
338.11365	2.9
339.12231	10.8
340.13123	1.7
341.13647	2.2
344.12546	6.3
351.12195	1.8
353.13907	4.4
355.11942	1.8
359.14899	6.7
369.13309	23.8
370.13690	3.3
371.14862	85.1
371.83621	1.5
372.14453	2.6
383.14862	4.1
384.15649	5.6
387.14120	10.2
388.17627	8.2
389.15909	17.1
401.15912	100.0
402.16641	41.6
402.20740	0.9
408.19144	2.5
408.68808	3.0
419.16898	21.3
420.17761	32.4
431.16898	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	580.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.9
55.01871	10.4
55.05510	22.3
57.03432	18.3
57.07072	2.3
61.02909	8.3
65.03927	3.9
67.05502	73.9
69.03416	9.8
69.07064	48.6
71.01347	2.8
71.04974	7.8
73.02892	4.9
75.48190	1.8
79.05061	2.5
79.05491	36.3
80.24629	1.7
81.03412	14.7
81.07056	66.7
83.04993	9.6
83.08627	15.3
85.02905	13.5
85.06527	7.5
91.03959	4.4
91.05474	49.6
93.07037	43.3
95.04957	14.0
95.08600	37.1
97.02888	9.7
97.06530	18.5
97.10168	5.9
99.08068	3.1
103.03921	3.4
105.07031	31.8
107.04963	9.9
107.08590	26.7
109.06516	5.9
109.10147	38.5
111.08054	6.6
114.32477	1.9
115.05414	2.4
117.07030	11.2
119.08583	24.6
121.06472	5.4
121.10133	16.0
123.04417	6.1
123.08073	11.1
123.11668	7.6
125.09606	5.7
127.03877	9.2
128.06282	1.9
129.06999	3.8
131.08565	13.9
133.06483	2.7
133.09222	2.8
133.10132	27.4
135.04359	2.0
135.08035	5.1
135.11674	15.9
137.09607	8.2
139.03888	4.4
143.06978	1.8
143.08546	6.6
145.10115	12.3
147.04485	2.1
147.08025	3.7
147.11667	12.6
149.09601	18.9
149.13226	3.0
151.11140	6.7
153.01804	2.1
157.10097	4.5
159.11676	10.7
161.09570	2.6
161.13255	6.9
163.03943	2.5
163.11172	12.5
169.10106	3.1
171.10120	8.3
171.11671	5.1
173.11729	14.7
173.13258	5.5
175.11195	2.7
177.12788	5.0
179.14279	6.5
183.11674	2.2
185.13275	2.2
187.11098	3.0
187.13315	4.5
189.11188	3.7
193.12244	3.0
229.14319	30.2
229.19380	3.8
229.72374	1.8
239.17818	5.5
243.15869	17.6
244.60280	1.9
247.20599	3.1
253.17873	4.2
255.15851	12.8
257.18958	7.6
267.15823	3.3
268.16531	2.1
269.17419	5.2
271.06036	3.5
271.15378	3.1
272.06299	2.5
273.18604	4.3
275.20038	34.0
285.17123	2.2
291.19653	4.2
349.23727	100.0
365.23254	2.4
367.24670	12.5
580.32117	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	579.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
55.01851	7.3
55.05503	34.7
57.03429	14.8
57.07074	2.6
59.04991	3.2
59.66966	2.3
65.03918	5.9
67.05500	100.0
69.03422	4.0
69.07059	25.1
70.33583	9.0
71.01315	3.4
71.04979	6.6
79.05051	4.4
79.05480	55.3
79.17069	2.2
81.03409	13.8
81.07049	84.3
82.99805	2.0
83.04975	13.8
83.08614	20.5
85.02888	3.2
85.06526	3.6
91.05475	49.7
93.07037	71.7
94.07328	2.7
95.04939	16.2
95.08599	55.4
97.06525	10.4
97.10167	14.9
98.21423	2.6
103.05467	2.2
105.07013	35.8
107.04950	10.1
107.08585	33.3
109.06506	7.9
109.10148	47.4
111.04465	6.5
111.08070	5.8
115.05409	3.2
117.07012	19.9
119.08571	32.9
121.06477	5.3
121.10131	42.6
123.04453	3.1
123.08038	6.5
123.11710	9.4
125.09595	15.2
127.03908	8.3
127.07543	2.2
129.06984	10.5
131.08542	26.6
133.06496	3.6
133.10123	22.8
134.36772	2.0
135.08052	4.3
135.11671	25.9
137.09583	5.9
139.03886	3.9
139.11179	8.4
141.06966	3.5
143.08549	8.2
145.06572	3.0
145.10115	20.3
147.11693	15.4
149.09583	9.1
149.13213	10.8
151.11122	2.9
155.08571	5.6
157.10138	9.1
159.11659	12.1
161.09680	2.7
161.13266	9.6
163.03886	4.2
163.11205	13.1
163.12386	2.3
163.14914	2.6
169.10120	3.8
171.11697	6.3
171.53833	2.6
173.09608	6.9
173.11719	5.9
173.13243	12.4
175.11221	5.6
175.14833	3.3
181.12234	6.5
183.11642	5.4
185.13210	6.7
187.11183	2.8
187.14774	4.0
189.11197	5.9
189.12799	2.9
191.10655	4.1
193.12230	9.2
197.13319	4.3
199.14862	4.4
203.12946	2.6
209.11674	5.4
211.13176	4.9
217.14359	3.4
227.12711	12.4
229.14351	9.9
237.82991	2.5
243.20993	3.6
245.13881	11.9
259.20612	5.5
261.22150	15.6
265.14252	5.6
267.15878	5.6
271.05975	47.0
271.20691	2.9
272.06403	3.9
275.05542	2.9
277.21567	5.8
279.23431	2.6
283.15350	11.7
289.21573	3.9
301.16507	11.3
303.22964	2.4
307.39410	2.7
313.06882	4.4
315.23108	5.4
333.24371	5.4
335.25821	20.0
353.26532	3.3
363.25397	5.2
389.27036	3.9
433.31253	3.0
451.32092	5.5
469.32889	6.5
487.33926	7.4
489.35571	6.6
525.35706	5.7
529.37183	2.7
543.36847	29.5
544.36194	2.5
561.29602	4.0
561.37756	54.1
579.39014	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	579.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.5
55.01875	11.7
55.05507	38.5
57.03425	20.6
57.07065	6.6
59.87862	1.7
60.69224	1.7
65.03902	2.7
67.05499	100.0
69.03409	8.0
69.07064	27.1
70.86693	3.6
70.87052	5.1
71.04995	12.4
71.08615	1.8
79.05484	62.5
81.03415	21.4
81.07050	95.9
83.04976	16.3
83.08606	21.7
85.02901	5.5
85.06538	6.6
85.76712	2.8
87.19479	2.0
88.77213	1.9
91.05473	57.6
93.06464	4.4
93.07036	72.4
95.04961	21.6
95.08602	61.5
97.02920	3.2
97.06523	15.4
97.10155	15.0
99.08095	3.6
103.05488	2.1
105.07020	46.2
107.04944	9.1
107.08587	49.9
108.91859	1.9
109.06494	13.0
109.10146	37.7
111.04401	3.1
111.08070	7.6
113.09614	2.8
117.07019	16.7
119.08562	37.7
121.06495	4.3
121.10141	34.7
123.04443	4.6
123.08057	7.8
123.11683	11.7
125.09600	14.8
127.03903	8.3
128.06223	2.3
129.05464	8.7
129.06987	12.7
131.08568	24.5
133.10121	28.3
135.04462	3.7
135.08055	8.5
135.11684	23.0
137.09587	5.8
139.03937	3.0
139.11177	5.5
141.06973	3.3
142.07799	2.4
143.08562	6.8
145.10127	19.5
147.08000	3.1
147.11702	23.8
149.09599	8.5
149.13211	11.2
151.11211	4.6
155.08505	3.6
157.08658	3.2
157.10104	11.3
159.11621	17.9
161.09630	4.3
161.13284	10.0
163.11176	6.1
163.14876	3.3
165.12704	6.2
167.08498	2.8
167.10687	2.7
171.11655	9.3
173.09656	5.0
173.11748	5.5
173.13280	7.5
175.09746	2.1
175.11143	7.2
175.14841	5.4
177.12685	3.7
179.83855	2.2
183.11679	2.7
185.13257	6.2
187.14793	4.2
189.11205	5.9
191.10654	3.6
193.12186	16.1
199.14851	4.1
205.68655	2.1
209.11697	6.3
209.13408	3.1
211.13229	15.0
213.14722	2.8
227.12761	9.0
229.14230	5.4
241.14278	4.0
241.19478	3.7
243.15971	3.4
243.21016	2.8
259.20511	7.1
261.22073	9.0
267.15848	10.8
271.06006	30.3
272.06314	3.0
273.22079	3.0
277.21646	22.7
283.15588	2.8
285.16971	10.1
289.21567	4.1
293.21011	2.7
295.22629	4.5
301.16370	10.8
301.21707	3.9
303.23132	6.4
313.21371	1.9
315.23215	5.7
317.24985	2.5
319.22763	2.6
333.24304	2.6
335.25797	16.0
351.25330	16.2
357.24261	2.8
389.26669	2.5
399.24655	2.7
433.11072	2.5
433.31042	4.9
436.50146	2.3
451.32010	5.8
469.33035	6.4
482.33875	2.3
487.34149	7.6
515.36987	2.9
517.34888	4.8
525.36115	4.8
527.37347	4.7
535.36322	2.8
543.29523	2.1
543.36859	25.8
544.37079	3.1
545.38116	10.1
561.37799	60.2
579.30914	3.2
579.38940	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	579.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64587	2.3
53.03933	7.0
55.01875	12.4
55.05507	36.7
57.03435	26.4
57.07065	11.4
65.03934	4.9
67.05500	100.0
69.03410	7.2
69.06723	2.6
69.07064	26.2
69.30150	7.4
69.30569	16.3
71.04984	14.5
71.08624	2.5
79.05487	65.5
81.03414	26.1
81.07051	98.2
82.04185	2.3
82.07390	2.6
83.04976	15.5
83.08613	27.5
85.02883	6.5
85.06535	7.0
91.05477	65.5
93.07042	62.2
94.90239	2.3
95.04968	22.3
95.08604	72.3
97.06523	13.5
97.10155	14.3
98.07362	2.7
99.08074	5.1
105.06301	2.5
105.07021	51.1
107.04958	6.4
107.08583	42.1
109.06512	11.3
109.10158	35.6
111.08045	8.9
115.05450	2.7
116.04694	4.1
117.07005	16.4
119.08575	41.1
121.06483	6.7
121.10138	35.2
123.08076	9.1
123.11690	12.9
125.09625	16.8
127.07498	2.7
127.11196	2.4
129.05481	15.0
129.06969	15.7
131.08557	27.3
133.06415	2.8
133.10129	25.5
135.08034	6.7
135.11682	24.2
137.09633	5.0
137.13278	2.9
139.11153	6.0
143.08516	7.6
145.10112	15.5
147.08014	3.6
147.11665	27.7
149.09567	8.2
149.13252	13.3
151.11136	6.3
155.08481	2.5
157.08646	7.5
157.10124	12.2
159.11690	13.2
161.09631	2.5
161.13234	9.5
163.11143	6.4
163.14810	2.4
165.12793	7.0
169.10106	2.5
171.11703	8.7
173.11815	4.0
173.13269	9.3
175.11168	8.0
175.14827	4.0
177.12698	3.6
183.11678	3.6
185.13301	6.1
187.11197	2.4
187.14757	4.2
189.11255	4.3
193.12233	17.2
195.13739	2.7
197.13321	2.5
200.13908	3.7
207.13898	2.8
211.13242	22.6
219.53857	2.4
221.94354	2.4
225.16554	2.3
227.12682	6.9
229.14217	3.9
241.14375	3.7
241.19510	4.4
255.15965	2.3
258.36606	2.3
259.20529	7.7
261.22092	10.9
267.15854	12.2
271.05966	18.3
275.20035	2.9
277.21613	26.9
285.16940	15.1
293.21188	3.6
295.22781	10.2
299.23624	3.1
301.16440	15.3
315.23059	2.6
317.24649	3.0
335.25742	21.4
351.25211	19.7
389.27530	2.3
405.50360	2.2
417.56854	2.3
469.32828	6.2
471.34674	2.6
487.34381	2.6
517.34943	4.9
527.37231	6.0
529.37598	4.8
535.36444	6.5
543.36719	11.8
544.37427	3.6
545.38403	11.8
547.38782	4.5
561.37781	51.5
562.38354	6.3
579.30969	3.3
579.39056	33.3
579.92902	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3888
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
53.03939	3.6
55.01856	9.6
55.05258	3.3
55.05507	43.9
57.03434	18.8
57.07063	5.9
59.04991	2.5
63.55848	2.1
65.03925	2.9
67.05499	100.0
69.03426	5.4
69.07062	33.3
69.84497	10.4
69.84925	4.5
71.04996	10.6
79.05487	67.1
81.03415	19.3
81.07051	89.7
83.04983	14.0
83.08615	27.1
85.02898	7.3
85.06522	7.2
91.05473	54.8
93.06464	4.6
93.07034	68.4
94.54034	2.0
95.04974	20.5
95.08604	69.8
97.02902	3.1
97.06531	14.1
97.10160	17.3
98.20776	2.6
99.08063	3.0
105.07031	42.5
107.04940	8.2
107.08583	42.6
109.06513	6.0
109.10139	39.6
111.04394	2.8
111.08071	6.9
113.09663	2.9
115.05527	2.2
116.04657	2.4
117.07022	17.2
119.08577	36.8
121.06484	5.8
121.10135	40.6
121.11007	2.6
123.04422	3.6
123.08092	5.7
123.11684	12.5
125.09648	15.2
127.03880	9.6
128.06131	2.4
129.05489	4.3
129.06987	9.4
131.08559	26.9
133.06468	3.0
133.10117	25.8
135.04410	2.4
135.08006	4.9
135.11674	24.4
137.09619	7.6
139.03918	3.7
139.11174	7.0
142.07722	2.5
142.29422	2.0
143.08551	7.1
145.10091	23.7
147.08061	3.4
147.11662	21.7
149.09634	9.0
149.13206	11.7
149.25092	2.1
151.11176	4.1
155.08542	2.7
157.08818	2.3
157.10077	10.2
159.11621	12.3
161.09552	2.9
161.13275	10.9
163.03944	2.9
163.11163	11.3
165.12737	3.5
167.03290	2.2
167.10706	4.2
169.10057	3.5
171.10173	2.7
171.11668	7.8
173.09587	2.8
173.11757	7.1
173.13248	9.0
175.11171	8.5
175.14915	3.7
177.12683	3.7
181.12268	3.6
183.11803	3.5
185.13284	5.2
187.14862	4.7
189.11252	5.2
191.10719	3.6
193.12262	14.1
195.13782	2.6
197.13271	4.3
198.08870	2.2
199.13261	3.0
207.17728	2.3
209.11621	5.0
209.15352	2.3
211.13243	16.2
227.12807	9.6
229.14256	11.8
241.14296	3.3
243.21126	3.3
245.13783	5.6
259.20612	6.5
261.22070	12.8
267.15875	10.2
271.05945	16.1
275.19974	3.2
277.21613	16.3
285.16965	7.5
285.22101	2.8
289.21671	3.2
293.20966	2.2
295.22720	3.5
301.16357	13.6
315.23218	3.7
317.24408	3.8
327.23050	5.7
333.24139	4.6
335.25766	20.4
349.23895	2.4
351.25238	9.5
363.25262	7.2
409.09070	2.5
411.46841	2.6
433.30838	3.2
451.32007	5.7
451.61438	2.3
469.33017	8.9
487.34186	7.1
489.35547	8.3
503.33112	2.5
505.35147	2.5
517.35510	3.9
525.35437	6.0
529.37701	4.5
535.36572	2.4
543.36877	27.6
544.37482	3.7
545.37842	4.9
547.38782	5.1
553.35107	2.7
561.37787	58.7
562.38379	3.5
579.38843	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64587	2.3
53.03933	7.0
55.01875	12.4
55.05507	36.7
57.03435	26.4
57.07065	11.4
65.03934	4.9
67.05500	100.0
69.03410	7.2
69.06723	2.6
69.07064	26.2
69.30150	7.4
69.30569	16.3
71.04984	14.5
71.08624	2.5
79.05487	65.5
81.03414	26.1
81.07051	98.2
82.04185	2.3
82.07390	2.6
83.04976	15.5
83.08613	27.5
85.02883	6.5
85.06535	7.0
91.05477	65.5
93.07042	62.2
94.90239	2.3
95.04968	22.3
95.08604	72.3
97.06523	13.5
97.10155	14.3
98.07362	2.7
99.08074	5.1
105.06301	2.5
105.07021	51.1
107.04958	6.4
107.08583	42.1
109.06512	11.3
109.10158	35.6
111.08045	8.9
115.05450	2.7
116.04694	4.1
117.07005	16.4
119.08575	41.1
121.06483	6.7
121.10138	35.2
123.08076	9.1
123.11690	12.9
125.09625	16.8
127.07498	2.7
127.11196	2.4
129.05481	15.0
129.06969	15.7
131.08557	27.3
133.06415	2.8
133.10129	25.5
135.08034	6.7
135.11682	24.2
137.09633	5.0
137.13278	2.9
139.11153	6.0
143.08516	7.6
145.10112	15.5
147.08014	3.6
147.11665	27.7
149.09567	8.2
149.13252	13.3
151.11136	6.3
155.08481	2.5
157.08646	7.5
157.10124	12.2
159.11690	13.2
161.09631	2.5
161.13234	9.5
163.11143	6.4
163.14810	2.4
165.12793	7.0
169.10106	2.5
171.11703	8.7
173.11815	4.0
173.13269	9.3
175.11168	8.0
175.14827	4.0
177.12698	3.6
183.11678	3.6
185.13301	6.1
187.11197	2.4
187.14757	4.2
189.11255	4.3
193.12233	17.2
195.13739	2.7
197.13321	2.5
200.13908	3.7
207.13898	2.8
211.13242	22.6
219.53857	2.4
221.94354	2.4
225.16554	2.3
227.12682	6.9
229.14217	3.9
241.14375	3.7
241.19510	4.4
255.15965	2.3
258.36606	2.3
259.20529	7.7
261.22092	10.9
267.15854	12.2
271.05966	18.3
275.20035	2.9
277.21613	26.9
285.16940	15.1
293.21188	3.6
295.22781	10.2
299.23624	3.1
301.16440	15.3
315.23059	2.6
317.24649	3.0
335.25742	21.4
351.25211	19.7
389.27530	2.3
405.50360	2.2
417.56854	2.3
469.32828	6.2
471.34674	2.6
487.34381	2.6
517.34943	4.9
527.37231	6.0
529.37598	4.8
535.36444	6.5
543.36719	11.8
544.37427	3.6
545.38403	11.8
547.38782	4.5
561.37781	51.5
562.38354	6.3
579.30969	3.3
579.39056	33.3
579.92902	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.2
53.03943	2.9
54.22414	1.0
55.01867	4.4
55.05511	13.2
57.03436	4.8
57.07060	3.3
65.03931	2.3
67.05500	73.9
69.03424	4.7
69.07062	13.1
70.36729	2.5
71.04978	2.7
71.08605	1.1
73.02909	5.0
75.04473	1.7
79.05489	37.6
81.03407	5.5
81.07050	76.7
82.64751	0.9
83.04972	3.6
83.08615	8.1
85.02901	3.7
85.06530	3.0
91.05474	19.1
93.07040	50.3
95.04965	5.6
95.08598	64.7
97.02878	2.5
97.06515	3.0
97.10179	4.4
99.04450	3.4
99.08075	2.4
105.07030	18.3
107.04967	2.2
107.08590	35.6
109.02876	7.8
109.06503	2.1
109.10146	33.2
110.03642	3.0
111.04454	5.6
111.08067	2.5
113.09671	1.1
117.07010	11.6
119.08574	17.8
121.06485	1.2
121.10138	31.8
123.04418	6.7
123.08033	2.1
123.11695	17.6
125.09595	2.3
127.03914	15.7
129.06976	2.1
131.08553	20.1
132.99484	1.1
133.10123	16.3
135.04408	3.5
135.08086	1.4
135.11681	27.8
137.09613	2.9
137.13226	8.9
139.03920	6.0
139.11189	2.4
143.08589	2.2
145.10115	17.6
147.10588	1.5
147.11673	11.1
149.09564	1.2
149.13243	16.9
151.11179	2.0
151.14848	2.4
153.12701	1.2
155.01088	1.3
157.10052	2.1
159.11668	15.6
161.13245	10.4
163.03876	3.5
163.11148	1.4
163.14815	11.4
165.12729	2.5
167.03333	1.1
167.08675	0.9
167.81552	0.9
169.10176	1.0
171.11705	1.4
173.13255	18.1
175.11139	1.1
175.14885	3.3
177.12744	1.1
177.16400	4.9
179.14259	2.3
185.13161	1.8
187.14799	7.9
191.00089	3.6
191.14265	1.2
193.04909	1.1
199.14777	1.3
201.16331	2.8
205.15848	2.3
209.11731	1.0
210.83568	1.0
215.17802	1.0
219.17421	1.4
233.22665	2.8
241.19467	1.3
243.21060	30.5
247.06023	1.5
259.20538	1.1
261.22122	100.0
262.22870	1.3
263.23657	1.6
271.05991	10.0
275.05383	1.5
279.23154	4.3
287.05414	2.0
291.08591	1.6
303.23166	2.8
317.24689	1.1
324.52927	0.9
335.25772	20.9
351.23459	1.0
353.26843	92.5
354.27261	1.3
369.24182	1.9
377.26926	2.1
409.09235	2.5
419.27344	1.0
427.27875	1.2
433.20383	3.2
443.28348	2.6
451.21698	1.7
469.22476	2.5
487.23431	1.6
507.23691	1.5
543.25897	1.3
543.36572	2.0
561.27136	9.4
561.36200	1.6
579.28467	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	579.1707
Annotation	Scutellarein 7-methyl ether 6-rhamnosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
57.03447	4.9
59.62282	0.8
68.99795	2.6
69.03431	1.0
69.65801	6.6
71.04993	26.0
79.05486	1.2
81.03411	2.4
83.04984	1.5
85.02905	27.6
91.05499	1.1
96.99465	0.9
97.02867	1.1
99.04511	1.1
101.38850	0.9
103.05544	0.8
103.94399	0.8
106.76080	0.8
107.04974	2.0
109.02886	1.5
111.00855	1.6
111.04451	2.5
119.04948	3.3
121.02869	8.6
123.04428	33.4
127.03917	58.0
129.05481	5.6
131.04915	1.8
135.04411	17.7
139.03894	31.3
141.06921	0.9
145.02896	2.4
147.04388	5.3
147.06441	1.8
149.02322	3.6
149.05956	1.0
151.03915	4.3
153.01823	1.4
159.04425	1.5
161.06027	2.8
163.03914	19.8
165.01859	4.1
165.05499	4.7
167.03355	6.2
167.07077	3.0
169.06398	0.9
173.05995	1.8
175.03934	1.4
177.01765	0.9
177.05515	2.9
179.03427	4.3
181.04962	1.8
183.02896	3.2
183.04431	1.2
187.03934	4.1
189.05513	1.9
191.03365	6.6
193.04982	3.1
193.57289	0.9
195.02917	1.9
197.05948	1.3
197.98735	0.9
201.05444	2.5
203.03447	5.3
203.07047	1.3
205.05008	2.4
207.06485	1.3
213.05542	1.7
215.03554	1.1
215.06940	1.8
217.05003	4.0
229.04971	3.8
231.06436	1.3
233.04504	3.8
241.04935	1.2
243.02815	1.4
243.06526	3.1
245.04523	4.2
247.06013	8.3
251.66649	0.9
255.06610	2.7
256.07047	1.5
257.04480	5.0
259.06021	4.8
261.03986	1.5
267.06467	6.6
269.04422	2.5
270.05261	2.1
271.05988	22.7
273.07458	1.2
275.05450	9.6
281.08142	5.6
283.06009	96.2
284.06784	17.9
285.07416	1.8
287.05508	14.5
289.07111	10.2
291.08566	7.4
295.06070	14.5
295.09470	1.5
297.07654	8.6
299.05676	2.2
301.06967	7.5
303.08627	1.3
305.07996	2.3
307.06073	1.2
308.06772	2.3
309.04120	1.4
309.07532	17.5
311.05606	1.6
313.07047	100.0
321.07532	1.6
323.05380	2.1
323.09103	18.3
325.07092	1.9
333.07593	2.1
337.07065	38.5
337.11127	2.0
343.08112	2.1
349.07016	9.1
351.08667	5.4
354.02747	1.2
361.06989	8.1
367.08148	24.3
379.08154	17.4
397.09183	22.9
409.09155	15.4
411.10748	1.9
415.10242	44.2
421.09247	2.1
421.64288	0.9
427.10071	6.2
433.11313	98.5
435.10742	1.2
439.10529	1.5
579.16821	12.8
579.23730	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1701
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
67.01847	0.4
68.99797	0.3
69.75847	0.6
71.04988	0.6
71.59824	0.1
85.02896	0.9
91.05461	0.2
98.20840	0.2
98.21448	0.2
119.04932	1.3
121.02827	0.5
129.05467	0.3
145.02792	0.5
147.06337	0.1
153.01822	3.6
163.03883	0.3
167.06999	0.2
171.02864	0.6
185.51900	0.1
187.03815	0.2
198.32639	0.1
203.06999	0.2
219.42281	0.1
225.05385	0.3
229.04935	0.3
243.06528	0.3
247.06013	0.1
253.04982	0.1
268.21631	0.1
271.05984	100.0
272.06363	0.6
278.66376	0.1
378.02396	0.1
433.11304	0.4
579.17029	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49519	0.1
57.03435	0.5
67.01834	0.3
68.99790	0.3
71.04987	3.3
71.52013	0.2
75.04447	0.1
81.03401	0.1
83.04951	0.1
83.42419	0.1
85.02897	3.7
87.04432	0.1
91.05466	0.1
99.04436	0.1
107.04991	0.1
109.02800	0.1
111.00797	0.1
111.04401	0.2
119.04924	1.4
121.02876	0.5
123.04398	0.8
124.04695	0.1
127.03903	1.6
129.05475	0.8
131.04828	0.1
135.04424	0.5
139.03886	0.8
145.02795	0.5
147.04326	0.2
147.06554	0.2
151.03908	0.1
153.01813	3.1
163.03896	0.9
165.05539	0.1
167.03386	0.1
167.07025	0.1
169.06412	0.1
171.02844	0.5
177.05461	0.1
181.04921	0.1
187.03902	0.2
191.03377	0.2
193.04961	0.1
197.06010	0.1
201.05611	0.2
203.03502	0.1
203.06967	0.2
215.06902	0.1
225.05408	0.2
229.04884	0.3
243.06523	0.3
247.05989	0.4
257.04565	0.1
269.01865	0.1
269.04416	0.1
270.05453	0.1
271.05981	100.0
272.06296	1.2
275.05466	0.2
283.06036	0.1
287.05505	0.3
289.07047	0.3
290.02594	0.1
291.08658	0.2
301.07098	0.1
409.09305	0.4
433.11279	16.5
434.11395	0.2
439.10278	0.1
579.17603	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1491
Annotation	Procyanidin B3
Peak:m/z	Relative Intensity
52.01657	0.6
55.01847	1.8
65.03938	0.7
67.01839	0.9
67.05486	0.9
68.78773	0.7
68.99770	4.5
70.54581	2.5
79.05482	1.2
81.03408	2.6
85.02904	0.8
89.03886	0.9
95.04967	1.2
98.20806	0.7
99.04436	1.5
105.03328	0.7
107.04936	4.9
109.02875	2.7
111.00784	2.5
111.04446	2.4
117.03381	0.7
119.04949	1.8
121.02860	1.6
123.04415	42.0
126.19655	0.7
127.03905	100.0
128.04182	0.7
131.04926	2.2
135.04401	29.6
137.02303	1.5
139.03886	46.6
143.04930	0.8
147.04387	6.1
149.02313	3.9
149.06000	2.0
151.03886	6.1
153.01741	0.7
155.04929	0.7
159.04427	2.3
161.06036	2.3
163.03889	32.7
165.05441	5.6
167.03358	8.9
169.06531	2.0
173.05978	3.0
175.03911	3.3
177.05444	3.7
179.03351	2.5
181.06525	1.0
183.04376	1.1
185.05992	1.0
187.03870	5.9
189.05516	1.1
191.03386	10.6
193.04909	4.8
197.05859	4.3
201.05412	6.3
203.03362	8.8
203.07030	1.6
205.05025	2.9
207.06526	1.3
213.05443	1.7
215.03383	1.6
215.06996	2.3
217.04956	1.2
225.05499	1.9
226.06245	0.7
229.04982	7.8
231.06502	1.9
233.04411	4.8
241.04953	1.5
243.06491	5.0
245.04460	5.1
247.06030	12.6
253.04857	1.0
255.06540	1.5
257.04419	6.8
259.06058	5.8
269.04459	2.0
271.05991	15.8
273.07321	1.3
275.05487	14.5
283.05945	5.6
287.05481	18.5
289.07022	14.6
291.08582	14.0
295.06281	0.8
299.05447	3.4
301.07025	12.4
303.08505	2.2
325.07117	0.9
409.09128	23.9
411.10773	3.4
421.09470	1.3
427.10223	8.6
439.10223	1.5
516.63312	0.6
530.76727	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1494
Annotation	Procyanidin B2
Peak:m/z	Relative Intensity
51.02371	0.7
55.01855	2.4
56.27425	0.8
67.05487	1.6
68.02487	0.7
68.99771	5.2
69.65816	5.1
77.03909	0.9
79.05458	0.9
81.03419	1.8
81.89852	0.7
91.05475	2.0
93.03398	1.0
95.04952	2.8
98.21238	2.4
105.03382	1.5
107.04948	2.7
109.02868	3.0
111.00788	2.3
111.04439	2.3
115.05428	1.1
119.04919	3.9
121.02861	1.4
123.04417	100.0
124.04725	0.8
127.03905	81.2
131.04904	1.9
135.04404	31.4
137.02336	2.3
139.03891	35.4
143.04903	1.6
147.04395	12.2
149.02324	2.5
149.05974	2.5
149.37068	0.7
151.03931	5.4
153.06989	0.8
154.35646	0.7
159.04382	4.1
161.05989	5.3
163.03893	34.5
165.05479	7.9
167.03398	6.1
167.06978	4.5
169.06506	1.3
173.05942	4.6
175.03914	2.9
177.05377	4.1
179.03383	4.4
181.04953	3.3
181.06407	1.0
183.04393	1.4
185.05962	1.3
187.03868	4.4
189.05490	3.0
191.03389	8.4
193.04959	6.9
197.05966	3.0
201.05498	4.9
203.03391	10.7
203.06952	1.7
205.04968	3.0
207.06529	2.0
213.05449	2.8
215.03476	1.8
215.07048	2.4
217.04988	2.9
219.06551	1.0
225.05521	1.8
227.03456	1.1
229.04982	7.0
231.06487	1.7
233.04454	2.8
237.05423	1.5
241.04921	2.6
243.06499	4.2
245.04428	13.2
247.06017	15.8
253.04874	1.4
255.06601	2.1
257.04428	15.9
258.05276	2.7
259.05972	5.0
261.07626	0.7
269.04440	2.9
271.06000	18.2
271.08777	1.2
273.07526	1.3
275.05463	12.6
283.05963	5.8
285.07590	2.3
287.05475	32.0
288.05783	0.9
289.07040	11.2
291.08615	14.6
295.06055	1.0
299.05420	9.4
301.07037	11.2
303.08609	3.0
311.05536	1.2
313.07147	1.6
333.09604	1.7
387.14728	0.9
409.09146	37.0
411.10739	2.4
421.09125	2.5
427.10202	7.0
432.05121	0.9
433.09094	1.1
435.10974	5.3
439.10388	4.6
451.10245	0.9
453.11768	2.4
561.14307	1.7
576.73541	0.8
579.20184	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	579.1492
Annotation	Procyanidin B3
Peak:m/z	Relative Intensity
55.01878	1.0
55.18045	0.4
65.03928	0.5
67.01871	0.6
67.05495	0.5
68.99777	3.6
70.75163	1.0
70.75507	0.8
79.05474	0.9
81.03417	2.6
85.02850	0.4
89.03882	0.4
91.05463	0.5
93.28900	0.4
95.04958	1.4
99.04433	0.8
102.51611	0.5
105.03405	0.4
107.04948	2.9
109.02850	2.3
111.00806	1.4
111.04441	2.2
115.05454	0.5
117.03355	0.7
119.04936	1.2
121.02847	0.6
123.04424	34.2
127.03909	100.0
131.04922	1.1
133.02769	0.5
135.04414	27.8
137.02330	2.7
137.06039	0.4
139.03896	38.5
141.06937	0.6
143.04892	0.6
145.02834	0.6
145.06526	0.6
147.04414	5.1
149.02336	4.7
149.05986	1.7
151.03894	6.9
153.01749	0.4
153.07008	0.8
157.06587	0.6
159.04362	2.8
161.05974	3.0
163.03903	29.9
165.05464	4.5
167.03386	6.8
169.05103	0.4
169.06456	1.5
173.05977	2.1
175.03879	2.7
177.05482	3.1
179.03355	2.1
181.04915	0.9
181.06482	0.6
183.04443	1.0
185.05907	0.7
187.03894	5.4
187.07516	0.7
189.05434	1.7
191.03389	7.8
193.04974	3.3
197.05939	3.2
201.05450	4.1
203.03374	5.8
203.07004	2.0
205.05057	2.0
207.06544	1.3
213.05574	0.6
215.03456	0.9
215.06985	2.7
217.04988	1.3
219.93736	0.5
225.05426	1.5
229.04967	4.6
231.06490	1.2
233.04436	4.9
237.05510	0.4
241.04941	1.1
243.06512	4.9
245.04422	5.1
247.06029	11.4
251.05540	1.3
253.04947	0.6
255.06602	1.0
257.04428	6.8
258.05002	0.5
259.05991	6.6
261.07672	0.7
269.04239	2.0
271.06003	17.3
273.07556	1.2
275.05505	13.4
283.06006	4.7
287.05481	14.8
289.03836	0.6
289.07062	13.1
289.86920	0.5
291.08594	11.9
299.05450	2.8
301.07059	8.9
301.10562	0.5
303.08615	1.7
315.08490	0.6
391.08215	0.9
409.09183	20.6
411.10651	2.4
421.09293	0.9
427.10263	4.8
435.10684	0.9
464.19589	0.4
567.71643	0.4
579.14557	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1495
Annotation	Procyanidin B3
Peak:m/z	Relative Intensity
55.01870	1.2
58.67506	0.5
65.03931	0.8
65.98470	0.4
68.99779	3.8
71.05013	1.2
81.03400	1.7
83.04974	0.7
85.02886	0.5
89.03912	0.6
93.03394	0.6
93.30495	0.4
95.04942	1.0
105.03375	0.9
107.04943	3.2
109.02867	3.4
111.00807	2.0
111.04437	2.7
115.05452	0.5
117.93751	0.4
119.04942	1.0
121.02879	1.3
123.04417	41.3
127.03902	100.0
128.04239	0.6
131.04861	1.1
135.04399	26.6
137.02350	3.0
137.06007	0.7
139.03886	51.8
141.06920	0.8
143.04855	0.9
145.06541	0.6
147.04388	5.9
149.02318	3.9
149.05995	1.3
151.03891	8.4
155.04970	0.6
157.06464	1.0
159.04358	2.2
161.05951	4.0
163.03891	32.2
164.04695	0.6
165.05467	5.6
167.03384	6.3
169.05032	0.6
169.06470	1.4
173.05974	2.9
175.03888	2.5
175.07457	0.6
177.05492	3.4
179.03331	3.7
179.07051	0.7
181.06490	0.7
183.04376	0.6
185.05981	1.1
186.19225	0.5
187.03862	5.1
187.05243	0.5
187.07526	0.8
188.38487	0.6
189.05463	1.8
191.03384	10.2
193.04958	3.3
197.05978	3.4
200.04628	0.5
201.05447	5.3
203.03362	7.0
203.07092	1.4
205.04921	3.9
207.06522	1.0
213.05450	1.0
215.03409	0.9
215.07043	2.3
217.04947	1.1
219.06264	0.5
225.05458	1.1
227.07147	0.6
229.04965	6.1
231.06516	2.0
233.04417	6.3
241.04863	1.1
243.06490	5.0
245.04448	6.6
247.03439	1.0
247.05986	17.4
251.05515	1.6
253.05029	1.6
255.06482	2.3
257.04437	10.9
259.05966	9.4
261.07544	0.8
269.04453	2.8
271.05972	17.9
273.07596	2.1
275.02563	0.9
275.05481	14.6
276.99991	0.4
283.06000	6.1
285.07684	1.1
287.05472	20.5
289.07031	14.2
291.08594	14.6
295.05954	0.6
297.07635	0.7
299.05444	3.1
301.07065	13.3
303.08588	2.2
323.09164	0.9
391.07742	0.6
409.09152	23.5
411.10376	2.2
421.09201	0.8
427.10233	7.9
435.10501	1.1
439.10123	1.2
440.97922	0.5
579.15063	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.149
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
53.03925	0.7
55.01856	1.3
64.24099	0.4
65.03941	0.8
67.01871	0.5
67.05491	1.3
68.99787	4.1
69.68835	2.7
69.69245	0.6
77.03909	0.6
78.13411	0.4
79.05457	0.5
79.65525	0.5
81.03395	2.3
83.04972	0.6
85.02910	0.5
89.03886	0.7
91.05441	0.5
93.03397	0.6
95.04958	1.4
99.04436	0.6
103.05457	0.8
107.04942	3.0
109.02855	3.0
111.00787	1.7
111.04435	4.0
112.66450	0.5
117.03409	0.6
119.04964	2.4
121.02832	1.1
123.04418	43.5
125.45138	0.5
127.03903	100.0
131.04961	2.4
131.69666	0.4
135.04402	29.7
137.02356	3.0
137.05992	0.7
137.53693	0.5
139.03885	48.1
141.06985	0.6
143.04910	1.1
145.06380	1.0
147.04395	8.8
149.01207	0.8
149.02286	3.7
149.05980	2.2
151.03888	8.7
153.06996	0.5
155.04890	0.6
157.06528	0.8
159.04402	3.0
161.05956	3.9
163.03889	33.4
165.05481	6.1
167.03380	6.0
169.06512	1.3
173.05989	2.6
175.03870	2.8
175.07530	0.5
177.05440	3.9
179.03444	2.7
181.05016	1.0
183.04474	1.3
185.05986	1.1
187.03851	5.0
187.07605	0.7
189.05447	2.0
191.03360	9.3
193.04967	3.9
197.05991	3.8
201.05452	6.3
203.03355	6.2
203.07030	2.1
205.04910	3.0
207.06512	1.6
213.05429	1.2
215.03247	1.0
215.07043	1.9
217.04973	1.2
218.64754	0.5
225.05495	1.2
229.04950	7.2
231.06552	1.8
233.04448	5.2
237.05573	0.4
241.04979	1.2
243.06525	4.2
245.04433	5.6
247.05998	13.3
247.08429	0.8
251.05586	0.8
253.04845	1.1
255.06532	1.2
257.04419	9.7
258.05212	0.6
259.05981	5.4
261.07510	0.9
269.04449	1.5
270.04715	0.6
271.05988	15.7
273.07571	1.3
275.05453	10.3
279.06799	0.5
283.05978	4.7
285.07648	0.7
287.02237	0.5
287.05478	16.0
289.07022	14.3
291.08612	16.8
299.05569	2.7
301.07037	9.7
303.08762	1.5
311.05511	0.6
331.93091	0.5
379.08078	0.8
391.08347	0.6
407.79889	0.5
409.09143	16.1
411.10593	1.1
421.09119	1.1
427.10193	5.1
435.10727	0.7
439.10526	0.8
443.11234	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.01860	2.3
55.05500	2.7
57.03440	4.6
57.07039	1.3
59.04994	3.2
61.02691	0.7
61.02929	8.3
67.05492	3.6
69.03427	16.4
69.07051	3.5
69.60535	4.4
69.60959	1.9
71.04988	8.7
71.08615	0.9
73.02908	3.6
79.05504	2.8
81.03412	6.8
81.07056	14.2
83.04963	1.5
83.08603	2.4
85.02903	100.0
85.06541	1.7
87.04463	2.3
89.06026	2.4
91.03938	5.1
91.05479	3.7
93.07045	7.8
95.08601	9.6
97.02892	29.9
97.06521	2.8
97.10158	1.5
98.09696	1.0
99.04475	3.9
103.03954	1.0
105.07027	14.5
107.08590	11.5
109.02869	8.4
109.06498	2.4
109.10159	9.3
111.08080	1.5
117.07021	0.9
119.08580	13.0
121.06505	1.6
121.10138	6.4
123.04415	2.9
123.08073	1.1
123.11704	4.2
125.09626	56.2
127.03909	28.2
127.04641	0.5
127.11194	16.0
131.08568	3.0
133.08603	1.0
133.10127	5.4
135.04393	1.5
135.11676	10.1
139.03880	3.0
141.12724	1.4
143.10667	17.3
144.45094	0.8
145.04961	43.6
145.10112	21.5
147.11682	5.8
149.13239	4.5
153.01851	1.5
157.10083	1.1
159.11713	4.9
161.09883	0.8
161.13263	10.5
162.91025	0.8
163.03952	1.7
163.06017	16.6
163.11115	1.4
173.13261	1.9
175.11082	0.9
179.14272	9.2
191.14261	1.4
191.17969	9.2
191.82663	0.8
194.18402	0.8
201.16388	20.5
203.18011	1.1
219.17438	84.1
221.18985	1.7
237.18481	22.6
238.62375	0.9
263.09625	0.9
271.06003	2.7
287.05673	1.0
289.09088	1.4
305.21304	1.0
307.73627	0.8
325.11185	6.9
363.21667	1.2
381.22809	2.7
399.23834	10.0
433.15137	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1491
Annotation	Procyanidin B3
Peak:m/z	Relative Intensity
51.02374	1.3
53.03935	0.9
55.01876	1.5
58.83715	0.7
65.03946	0.6
67.05533	0.7
67.68509	0.7
68.99785	3.7
71.05069	1.1
71.05431	1.6
72.63213	0.8
73.23772	0.7
81.03412	1.8
95.04950	2.0
99.04446	0.8
107.04966	2.8
109.02863	2.2
111.00791	3.2
111.04469	3.2
113.32048	1.0
119.04940	2.1
121.02853	0.9
123.04427	50.9
127.03915	100.0
131.04950	1.1
135.04411	26.8
135.05420	1.6
137.02330	4.0
139.03897	56.6
147.04424	7.8
149.02306	4.6
149.05989	2.4
151.03885	10.4
155.04951	0.9
157.06465	0.7
159.04420	1.9
161.06029	4.3
163.03903	35.6
165.05458	5.2
167.03400	7.8
169.06432	1.2
173.06023	2.3
175.03909	3.2
177.05452	4.7
179.03436	3.3
181.06427	1.1
185.05998	1.1
187.03882	5.7
187.07460	0.9
189.05476	2.1
191.03377	12.3
193.04947	4.2
197.05966	2.4
201.05522	5.8
203.03386	9.5
203.07079	1.9
205.04977	2.4
207.06529	1.4
213.05486	1.7
215.03432	2.2
215.07028	1.9
217.04912	2.1
229.04893	6.7
231.06557	1.9
233.04398	6.5
241.05019	1.7
243.06526	4.1
245.04408	7.7
247.06023	21.5
251.05518	2.0
253.05031	0.8
255.06540	1.9
257.04456	10.2
258.05280	1.2
259.06009	12.5
267.28564	0.7
269.04492	2.4
271.05997	18.4
273.07571	1.5
275.05487	19.1
275.08450	1.2
276.07019	0.7
283.06021	8.1
285.07642	1.6
287.05493	25.4
289.07065	18.5
291.08618	17.3
294.97614	0.8
299.05457	4.7
301.07037	17.7
303.08606	3.9
333.09702	1.2
409.09201	31.1
411.11008	2.4
421.09308	1.5
427.10294	10.6
432.31836	1.0
435.10779	1.2
439.10239	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.5
55.01862	8.2
55.05504	41.0
57.03422	13.6
57.07061	5.5
59.04995	2.8
65.03931	5.8
67.05501	88.9
69.03419	3.9
69.07064	31.5
69.37610	24.4
71.04977	16.3
79.05058	4.5
79.05485	62.3
81.03417	23.1
81.07047	100.0
83.04972	12.6
83.08614	22.1
85.06521	9.7
91.05466	53.8
93.07037	66.8
95.04969	17.2
95.08597	63.6
97.06518	16.0
97.10161	17.1
105.03339	2.4
105.07018	57.5
107.04947	7.4
107.08587	42.5
109.06503	8.6
109.10146	36.8
109.10836	4.1
111.04420	2.7
111.08080	6.3
115.05461	2.2
117.06998	23.2
117.86838	2.3
119.08576	45.1
121.06457	8.1
121.10139	33.3
123.08055	7.3
123.11703	10.3
125.09622	15.2
128.06218	2.9
129.06990	13.6
131.08571	34.5
133.06467	5.3
133.10115	32.4
135.08011	6.1
135.11668	20.5
137.09662	3.3
137.13161	2.5
141.06979	3.5
142.07718	2.4
143.08575	13.8
145.10098	35.1
147.08023	4.9
147.11681	27.3
149.09608	8.5
149.13240	14.2
151.11145	4.6
153.06952	2.3
153.09142	2.6
155.08467	5.3
157.10146	19.2
159.11699	19.9
161.09589	3.2
161.13223	10.6
163.11200	4.8
163.14827	3.9
165.12791	3.9
167.08665	2.8
169.10104	7.4
171.07991	2.9
171.10335	3.5
171.11642	11.6
173.11874	3.3
173.13223	15.1
175.11185	5.8
175.14804	6.5
181.10138	4.4
183.11678	6.7
185.13242	9.4
187.14809	7.0
189.11304	5.7
189.12852	3.1
193.12218	9.6
195.11583	4.2
197.11641	2.5
197.13271	6.9
199.14812	6.1
201.16357	4.9
209.13435	2.5
211.14859	5.2
213.16451	4.8
225.10986	2.7
227.12759	18.8
239.16385	3.9
246.94531	2.4
259.20795	3.4
261.22116	10.7
267.15927	21.7
271.20557	2.9
273.18484	3.5
285.21790	5.1
287.19934	3.1
289.21500	6.2
291.19446	4.6
297.21933	2.9
301.20239	2.8
301.25214	9.7
303.23172	3.7
327.23120	3.1
333.24463	3.0
335.25845	18.5
361.27515	2.5
363.24988	3.0
372.81445	3.0
417.26462	3.2
417.31448	5.0
425.33887	2.8
435.32590	19.6
453.33624	13.6
471.34738	12.7
476.53650	2.3
491.35666	2.5
509.36160	6.9
527.37280	76.6
528.37921	3.5
545.38318	57.2
546.38599	3.9
559.38977	9.5
577.41046	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	577.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.2
55.01852	6.7
55.05507	35.0
57.03427	10.1
59.04987	3.2
65.03932	4.4
67.05501	89.5
69.07064	30.9
70.00778	2.0
70.20009	2.6
70.20280	9.9
71.04987	18.2
74.22717	1.9
79.05489	70.6
81.03419	23.6
81.07051	100.0
83.04970	8.7
83.08608	20.5
85.06529	13.7
91.05472	61.2
92.03741	2.4
93.07034	68.0
95.04959	19.9
95.08602	66.6
97.06528	15.3
97.10151	20.2
99.08062	2.6
103.05492	2.7
105.06299	2.7
105.07018	56.9
107.04935	4.7
107.08595	47.9
109.06522	5.5
109.10153	33.0
111.08082	6.7
113.76685	2.0
117.07024	17.6
119.08566	47.9
121.06494	5.8
121.10129	35.3
123.04475	2.1
123.08057	6.5
123.11701	14.8
125.09594	12.8
128.06197	4.2
129.06996	17.0
131.08560	34.8
133.06485	2.3
133.10132	29.0
135.08025	8.6
135.11665	18.4
137.09586	6.1
137.13234	4.8
139.11145	4.1
141.07007	3.3
142.07753	4.8
143.08556	14.7
145.10106	30.5
147.08031	4.5
147.11693	25.3
149.09607	6.7
149.13237	9.8
153.12747	3.3
155.08517	5.5
157.10114	16.8
159.11690	23.4
161.13281	13.7
163.11122	5.9
163.14865	3.5
165.12729	2.3
167.08604	2.4
167.10684	3.2
169.10089	10.6
171.11679	10.0
173.11952	2.9
173.13240	14.3
175.11220	4.7
175.14806	6.8
177.12750	3.4
181.10138	3.3
183.11694	7.5
185.13287	11.7
187.14804	8.0
189.11153	12.9
193.12236	9.0
195.11694	4.2
197.13313	8.9
199.13210	4.1
199.14818	6.9
201.16455	3.3
205.15904	2.5
211.14857	4.9
213.16512	2.9
223.14787	2.5
227.12833	17.8
239.16386	4.4
241.19617	3.5
243.20984	3.6
247.16866	2.7
259.20541	3.7
261.22122	7.5
267.15894	25.6
271.20508	3.2
273.22052	3.4
275.19836	2.2
279.23102	2.9
285.22131	4.6
287.23611	3.0
289.21588	5.9
299.23776	2.9
301.25183	11.5
303.23169	5.9
310.64890	2.4
317.24539	2.9
329.24606	2.5
333.24142	4.7
335.25772	22.9
341.24707	2.9
355.26291	2.7
359.25919	5.2
361.27740	3.5
363.25223	8.9
417.31509	6.9
417.75049	2.9
435.27368	3.9
435.32666	23.1
453.14719	2.3
453.33566	16.3
471.34741	14.3
473.34055	3.5
509.36176	9.8
527.37280	95.2
545.38348	90.7
559.39856	19.6
577.41339	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	577.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.0
55.01870	20.1
55.05267	3.1
55.05510	45.9
56.80581	2.7
57.03432	16.0
57.07066	5.7
59.04998	3.9
65.03934	7.3
67.05171	5.6
67.05502	79.7
69.03414	7.7
69.07063	31.3
71.04981	8.5
79.05486	78.4
79.05950	4.3
81.02968	5.4
81.03410	57.1
81.07049	100.0
82.91431	2.9
83.04978	25.8
83.08612	37.8
85.02867	18.7
85.06549	7.7
91.05472	70.6
93.07045	70.3
93.84501	2.9
95.04964	47.4
95.08596	39.0
97.02876	3.7
97.06528	25.7
97.10160	17.6
97.32701	2.8
99.04459	3.1
99.08082	4.1
100.69215	2.9
104.17493	2.7
105.07027	81.3
107.04955	24.0
107.08591	42.3
109.06488	19.1
109.10148	23.2
111.04409	6.7
111.07384	3.2
111.08022	16.0
113.06008	5.8
115.05460	4.1
117.07034	23.0
119.08567	61.2
121.06503	10.0
121.10137	29.3
123.04435	11.7
123.08061	10.6
123.11683	9.5
125.09617	13.2
127.03955	5.2
129.06998	16.9
131.08551	38.5
133.06487	5.7
133.10114	41.1
135.04408	7.5
135.08043	9.7
135.11681	13.5
137.09608	8.2
139.03917	4.8
142.07748	6.6
143.08542	9.9
145.06471	4.2
145.10120	26.4
147.08047	11.8
147.11668	34.3
149.02271	4.4
149.09601	22.8
149.13255	7.5
151.11177	6.5
155.08493	3.7
157.10089	20.4
159.11662	17.5
161.09598	4.8
161.13271	6.2
163.03920	7.4
163.11169	11.6
165.12759	9.2
168.39746	3.1
169.10097	6.2
171.11691	6.7
173.09578	3.1
173.11873	4.3
173.13257	12.6
175.11182	15.9
177.12723	4.1
179.14218	3.9
183.11713	6.6
185.13454	3.5
189.11247	6.5
193.12236	50.7
203.03566	3.1
208.83934	2.8
211.13268	55.2
214.96841	3.0
216.84676	3.0
227.12723	12.6
229.14371	4.1
245.04295	4.8
247.05963	4.7
247.20572	3.4
257.18982	11.8
267.15912	33.6
273.18369	5.8
275.20074	72.5
285.16928	37.9
287.05530	5.9
291.19424	4.6
293.20993	7.5
317.21100	4.0
349.23727	45.1
381.22888	3.3
407.07867	3.7
454.27805	3.3
467.31180	5.2
479.29932	11.7
485.32587	8.6
501.31573	4.0
541.35162	27.1
559.36194	53.1
577.12848	6.6
577.37280	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	577.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.6
53.77597	5.9
55.01859	25.3
55.05511	52.9
57.03432	23.9
57.07079	6.9
59.21939	5.7
65.03934	5.9
66.82202	5.3
67.05495	75.6
69.03428	9.5
69.07069	37.5
71.60296	9.3
72.87852	6.2
75.75481	5.0
79.05495	68.4
80.01100	5.9
81.03410	39.3
81.07053	100.0
83.04958	18.8
83.08610	24.7
85.02888	17.0
91.05450	67.0
93.07041	63.3
95.04955	31.5
95.08585	47.2
97.06525	34.0
97.10162	24.5
104.10725	7.2
105.07033	65.0
107.04939	21.9
107.08584	45.4
109.06473	14.9
109.10175	29.8
111.04411	12.2
111.08080	17.8
117.06995	27.7
119.08582	52.6
119.16891	5.0
121.06504	12.9
121.10117	23.8
123.04443	32.1
123.08078	16.7
123.11686	10.5
125.09679	12.3
127.03885	11.9
129.07011	12.6
131.08575	41.9
132.57561	6.4
133.06483	7.3
133.10136	38.7
135.04401	16.3
135.08049	10.3
135.11684	14.8
137.09653	11.6
143.08553	19.6
145.10115	26.3
147.08026	9.7
147.11682	20.0
149.09647	16.9
149.13284	8.0
155.08488	8.3
157.10130	16.0
159.11737	24.1
161.09554	9.5
163.03873	15.0
163.11232	13.1
169.10133	6.2
171.11679	10.6
173.13214	8.7
175.11118	12.9
177.12766	6.6
179.03334	5.7
181.10220	6.2
193.12212	18.9
211.13264	24.6
227.12627	6.4
229.05023	6.5
245.04395	7.1
247.05957	12.0
257.18933	10.1
259.20517	10.8
267.15906	14.1
269.17392	12.4
273.18524	7.5
275.20038	70.0
285.16888	25.8
287.05466	9.7
291.19547	24.4
293.21127	12.3
313.40714	6.0
333.20871	6.6
349.23672	25.9
365.23297	11.0
383.57806	7.5
541.35010	24.0
547.26855	7.4
559.36224	84.2
577.37305	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	577.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.01857	3.2
55.05510	11.5
57.03433	6.1
65.03938	1.9
67.05500	33.0
69.03413	2.0
69.07063	12.4
69.50790	4.6
69.51213	3.9
71.01321	1.4
71.04987	2.8
79.05484	28.3
81.03416	23.9
81.06578	2.2
81.07053	42.8
81.97803	1.0
83.04975	9.2
83.08616	12.4
85.02908	8.8
85.06525	4.0
86.97729	1.0
88.39657	1.0
91.05470	28.7
93.07035	31.5
95.04954	13.1
95.08595	12.0
97.06529	6.2
97.10181	2.3
98.21500	2.0
98.98467	3.0
99.08072	2.1
103.05566	0.9
105.07022	17.1
107.04932	4.3
107.08586	16.8
109.02858	1.2
109.06496	3.7
109.10110	3.8
111.04439	2.0
111.08057	5.0
113.06009	1.1
117.07017	4.8
119.08562	11.0
121.06477	3.5
121.10129	13.5
123.04398	6.4
123.08033	1.8
123.11736	1.7
125.09642	1.9
127.03907	4.0
129.06993	6.2
131.08568	9.1
133.06503	1.8
133.10138	6.9
135.04427	2.6
135.08052	2.1
135.11674	4.3
137.09647	1.5
139.03893	2.0
142.07796	1.6
145.10112	3.2
146.29808	1.1
147.08043	1.8
147.11693	7.1
149.09595	4.7
149.13271	10.7
151.03896	1.1
153.01776	1.1
155.01027	1.9
157.10121	8.2
159.11693	4.5
161.05927	1.6
163.03886	3.6
175.11197	6.2
177.12747	3.0
193.12219	19.8
195.13777	3.8
211.13278	20.8
213.15036	1.6
247.06081	2.7
249.14897	1.1
257.04346	1.1
267.15897	5.5
269.17441	9.0
275.20074	3.0
285.16934	2.6
287.05338	1.4
325.28452	1.1
347.12390	1.5
459.37567	1.5
461.28967	20.4
465.64948	1.1
467.31503	1.5
479.30008	100.0
480.29987	2.5
559.35626	3.0
577.36023	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.3
55.01877	13.6
55.05507	52.9
57.03429	14.3
57.07077	5.6
60.14906	3.5
60.78591	3.8
65.03953	4.7
67.05502	100.0
69.03426	6.7
69.07066	36.5
71.04994	23.1
78.17944	3.4
79.05491	75.9
81.03414	38.4
81.07055	88.4
83.04984	14.5
83.08617	29.8
85.02917	6.3
85.06548	7.2
91.05474	78.2
93.07039	71.0
95.04968	30.2
95.08598	61.8
97.06534	12.1
97.10147	20.5
99.08086	10.5
105.07028	71.5
107.04970	18.4
107.08585	41.9
109.06501	13.6
109.10168	38.6
111.04479	6.1
111.08090	12.1
117.07022	34.2
119.08580	47.0
121.06528	9.0
121.10159	26.3
123.08096	9.0
123.11710	6.2
125.09630	18.0
128.06233	8.3
129.06996	27.7
131.08556	42.6
133.06491	5.2
133.10136	44.2
135.08038	12.5
135.11707	15.5
137.09595	7.4
141.06958	4.0
142.07794	5.9
143.08575	21.3
145.10118	34.7
147.08022	7.3
147.11685	19.0
149.09627	12.2
151.11176	7.2
155.08578	13.1
157.10136	21.5
159.08142	5.8
159.11681	27.5
161.09627	13.3
161.13275	5.8
163.11186	7.3
165.07082	3.8
167.08617	6.1
169.10179	13.3
169.12321	4.7
171.11696	15.8
173.09663	6.1
173.13274	14.0
175.11192	13.2
175.14893	6.6
181.10184	9.6
181.12175	4.6
182.11052	4.2
183.11719	10.4
185.13257	11.1
187.11086	5.7
187.14859	6.5
189.11237	10.2
193.10275	4.5
193.12283	13.7
195.11723	10.9
197.13261	4.1
199.14824	10.6
209.13351	7.6
211.13161	18.1
213.12833	4.1
217.16101	4.7
227.12761	10.7
239.03015	3.7
245.19141	4.5
252.16788	4.1
253.14352	7.0
267.16016	12.8
273.18549	17.8
275.20200	7.0
281.22769	4.3
285.17035	3.6
285.22049	7.4
289.17770	3.9
291.19556	22.7
299.23740	4.9
347.22134	8.3
365.23334	5.5
393.87494	3.6
415.29654	4.0
421.26080	6.6
433.31122	19.1
451.32043	15.3
469.32959	3.7
499.34375	4.0
507.34433	10.1
517.35645	24.0
525.35797	54.7
531.86047	3.7
539.33319	5.1
543.36969	58.3
557.37451	21.2
575.36664	47.9
575.50165	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	575.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.2
53.03941	8.0
55.01871	17.0
55.05509	53.9
57.03429	12.0
59.05021	2.7
65.03927	4.6
67.05500	74.6
69.03438	14.3
69.06715	3.7
69.07064	42.4
70.78318	6.2
70.78654	2.3
71.04985	7.5
79.05059	4.7
79.05489	75.3
81.02972	4.4
81.03412	48.4
81.03872	1.6
81.07051	79.6
83.04977	21.4
83.08613	32.2
85.02912	17.4
85.06525	4.8
91.05479	67.2
92.68835	2.3
93.07036	60.3
94.57575	2.2
95.01363	2.3
95.04964	32.2
95.08597	32.1
97.02896	11.3
97.06523	18.8
97.10165	29.4
99.08104	3.4
103.05426	2.9
105.07021	57.4
107.04948	23.8
107.08580	39.1
109.06533	10.3
109.10140	23.9
111.04430	5.6
111.08085	11.7
117.06990	19.1
119.04994	4.3
119.08588	38.6
121.06496	10.7
121.10116	24.4
123.04458	3.9
123.08066	13.2
123.11726	7.3
125.09653	23.1
129.06993	17.5
131.08557	25.9
133.06496	8.9
133.10126	24.0
135.08038	9.2
135.11684	9.7
137.09605	6.7
137.13295	2.9
142.07790	4.7
143.08549	13.6
145.06436	3.3
145.10104	21.8
147.04411	5.8
147.08046	14.0
147.11685	25.4
149.09576	11.2
149.13235	5.5
151.11169	3.3
153.09062	3.4
157.10092	14.2
159.08089	3.2
159.11722	10.9
161.09631	5.7
161.13307	2.3
163.11157	11.7
165.09135	4.9
165.12749	4.5
169.10062	4.7
171.11716	7.5
173.09558	3.2
173.13300	4.0
175.11133	11.3
177.12733	6.4
183.11757	3.2
185.09602	2.7
187.11194	3.6
187.13182	2.7
187.14777	3.5
189.11221	11.4
189.12708	2.9
191.10583	2.4
193.12215	19.6
209.11673	4.0
211.13281	28.7
219.13863	8.6
222.20619	2.8
223.13261	14.7
227.12808	19.5
243.15784	2.6
249.14996	4.9
257.19012	3.5
267.15924	33.9
269.17590	2.6
273.18512	32.1
275.20093	16.8
283.15436	10.5
285.16895	5.6
289.18024	4.7
291.19510	97.3
293.21051	2.6
295.20428	2.5
313.21658	4.3
315.19461	2.8
347.22156	6.8
349.23770	4.8
365.23257	14.5
369.42816	2.5
389.23099	2.3
426.97269	2.3
445.26120	3.5
447.28622	2.9
465.30078	3.4
477.28735	3.0
483.31094	4.2
539.33594	8.9
557.34778	59.1
575.35736	100.0
575.50238	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	575.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
53.03928	1.1
54.63645	0.4
56.59843	0.3
59.81764	0.4
63.48014	0.5
64.54434	0.3
68.34927	0.4
69.03421	0.9
70.06584	2.2
70.11181	0.6
70.11592	1.4
79.01859	3.6
79.05493	0.5
81.03416	2.9
81.07049	0.9
86.09653	0.5
91.05483	7.0
93.07031	0.7
95.04985	0.8
95.08553	0.6
97.02883	7.2
98.21528	0.4
99.04430	0.7
100.11219	0.6
105.07021	0.7
107.01303	2.1
107.04913	0.9
108.81726	0.4
109.02880	5.0
119.04942	1.0
121.02926	0.5
123.04433	3.0
123.28288	0.4
125.02341	3.6
127.03912	8.3
137.05992	1.3
139.03915	1.3
141.07033	0.5
143.03394	7.0
147.04425	1.1
151.03900	1.7
153.01825	100.0
154.02205	0.6
161.06003	0.5
163.03870	1.2
165.05377	0.5
170.10497	0.4
171.02882	16.0
179.03354	0.4
189.05444	0.5
189.09201	0.5
197.05972	1.7
207.02769	0.8
207.10114	0.5
213.04022	0.5
225.05496	1.2
237.04272	0.5
243.06577	4.6
267.06528	0.5
279.05060	0.6
283.06027	0.4
285.07599	0.9
297.06207	5.0
329.13831	0.6
413.08771	0.5
467.08209	3.2
541.22211	0.4
575.23242	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.9
57.07071	34.6
59.04979	0.7
61.02921	1.0
67.05497	2.2
69.03425	1.9
69.07056	6.3
71.08627	43.9
71.34168	1.6
73.06548	6.1
79.05495	2.6
81.03401	1.8
81.07043	2.3
83.04970	0.9
83.08619	1.2
85.02885	6.0
87.04467	3.3
89.06023	100.0
90.06373	0.7
91.05468	1.9
93.07046	1.4
95.04938	1.1
95.08594	1.9
97.02885	1.5
97.10143	0.6
105.07013	1.5
107.04949	0.7
107.07060	5.7
107.08566	1.0
111.11697	0.6
113.13290	3.8
117.07010	1.4
117.09148	3.1
119.08610	0.7
121.10177	0.9
127.03909	1.0
130.08653	3.1
133.08591	42.2
135.11713	0.9
145.10112	1.0
151.15701	0.5
157.15887	5.5
177.11215	18.0
177.12494	0.7
195.12280	1.9
197.39311	0.6
198.18571	1.3
201.18466	20.1
221.13828	2.0
239.14883	1.6
245.21103	8.8
248.88051	0.6
283.17502	18.8
307.24756	1.9
351.27396	1.7
395.30002	95.4
396.30524	1.1
413.30914	1.0
430.85278	0.6
477.28381	2.0
574.38281	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	574.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.05510	17.2
55.05783	0.8
57.03442	0.6
57.06824	0.4
57.07076	4.9
61.02908	1.2
67.05505	4.6
69.03423	2.9
69.06719	0.7
69.07066	10.4
69.07446	0.5
70.06583	2.5
70.96718	0.5
70.97073	1.0
71.04977	1.4
71.08622	1.2
73.06555	1.2
79.05485	0.9
81.03419	1.7
81.07048	6.9
83.08614	34.5
85.02898	10.3
86.09673	0.7
87.04462	1.7
89.06025	60.5
91.05468	1.0
93.07036	0.9
95.04975	0.6
95.08599	6.3
97.02882	2.3
97.10165	12.9
97.10771	0.9
99.04447	0.6
105.07037	1.0
107.04957	0.6
107.07082	2.5
107.08558	0.5
109.02862	1.0
109.10149	5.1
117.03356	0.7
117.09116	0.7
119.05013	0.5
123.04420	0.8
123.11705	1.3
127.03854	2.0
130.08632	1.5
133.08595	29.0
137.05980	0.6
139.03958	0.8
139.14832	0.6
145.02837	1.0
145.04962	0.9
147.04430	1.1
147.11769	0.5
151.09665	2.1
153.01822	2.6
165.16315	0.4
165.98981	0.5
175.03966	0.5
175.44717	0.5
177.05498	2.5
177.11214	6.7
195.12271	0.9
207.06432	1.1
221.13890	1.3
227.20126	3.2
239.14879	18.9
240.15109	0.4
271.22748	2.1
309.02045	0.4
333.26230	0.9
377.28958	100.0
378.29144	2.6
395.29993	16.3
396.30118	0.7
424.16797	0.4
463.86456	0.4
467.72241	0.5
520.20624	0.4
574.23950	1.4
575.27814	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.5
53.00319	0.2
53.03939	0.8
55.01876	0.6
55.05504	0.6
57.03430	0.6
64.10228	0.3
67.01859	2.2
67.05488	0.4
68.99780	0.8
69.03417	2.5
69.07065	0.7
70.17534	1.5
71.04954	0.5
76.22602	0.3
79.01849	2.8
79.05494	0.3
81.03414	6.7
81.07060	1.0
81.90822	0.3
83.04951	0.3
83.08567	0.4
85.02903	3.1
91.05481	0.7
93.07032	0.6
95.04973	0.3
95.08618	0.6
97.02888	5.1
98.21445	0.3
98.97548	0.3
99.04441	1.0
103.05470	0.9
105.07029	0.8
107.01314	1.6
107.04958	0.4
107.08568	0.8
109.02875	4.1
109.10144	0.7
111.14906	0.3
119.08553	0.6
121.10081	0.5
123.04401	0.9
125.02361	2.9
127.03916	6.3
129.01744	0.5
131.04907	3.8
131.08600	0.4
133.10144	0.6
135.11665	0.6
137.05956	0.4
139.03905	0.8
143.03395	5.2
145.04955	1.3
145.06435	0.4
147.04410	0.7
151.03914	0.7
153.01820	100.0
154.02086	0.5
159.11728	0.3
163.03876	0.4
171.02878	30.0
177.05421	0.5
183.02866	0.6
191.03412	0.7
193.08655	0.4
195.02881	5.0
203.17845	0.3
215.06992	0.4
219.02937	0.5
255.05060	0.4
257.08075	24.6
261.03986	1.2
269.08072	0.6
277.53882	0.4
281.08063	1.0
297.06061	9.0
299.09195	3.6
315.07120	3.4
316.68304	0.4
323.09216	1.3
347.09198	1.2
365.10153	2.6
401.12119	0.6
571.29376	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75032	0.5
55.05492	2.0
57.07074	25.1
59.05006	0.6
66.78491	0.5
69.07061	1.5
70.85566	0.8
70.85903	0.8
71.08630	25.7
73.02933	0.5
73.06554	8.5
81.07079	0.5
83.08619	3.7
85.10179	27.6
86.73207	0.5
87.04460	7.9
89.06030	100.0
90.06374	0.6
91.07568	0.6
92.10754	0.5
93.07041	0.7
97.10152	1.2
99.11198	0.5
99.11717	2.5
101.87167	0.5
105.07040	0.5
107.07063	5.2
109.10131	0.6
112.11329	0.6
117.09122	6.9
130.08633	4.4
131.07063	2.0
133.08601	51.8
135.10132	1.1
141.16385	5.0
161.11765	1.7
175.09674	1.5
177.11221	22.7
185.18979	6.4
195.12381	0.7
221.13853	4.5
226.21698	2.1
229.21617	13.3
229.23758	0.7
239.14882	1.6
265.16516	0.6
273.24258	8.1
283.17548	2.6
309.19135	0.6
313.27435	1.1
327.20114	1.3
353.21579	0.5
371.22775	1.7
379.30679	0.7
415.25342	5.8
423.33044	0.6
467.35806	0.7
511.38745	0.9
555.41040	11.9
555.49634	0.7
556.41919	0.7
572.34869	0.8
572.43335	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	570.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.4
56.05019	0.3
57.07068	5.5
58.06601	1.7
67.05486	0.3
69.07052	0.4
70.06586	13.9
70.16855	0.9
71.08625	2.7
71.58125	0.2
72.08144	0.3
74.06062	0.3
81.06993	0.2
85.10159	1.0
88.07624	17.7
89.61359	0.2
95.04951	0.7
98.21365	0.3
102.09169	14.2
103.05471	0.2
105.03381	12.9
106.71017	0.2
118.97538	0.2
131.04918	0.7
141.13408	0.2
143.93031	0.3
144.75447	0.2
149.02347	10.5
149.05965	56.2
150.06288	0.5
153.06931	0.2
175.03923	0.5
181.06468	1.7
193.04941	9.4
212.23715	0.5
219.06552	0.9
256.26324	43.5
257.26733	0.6
297.07538	11.9
327.82867	0.2
341.10165	49.2
342.10675	0.8
552.33002	0.3
565.91113	0.4
570.34192	100.0
571.34393	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.2
57.03421	1.0
61.65780	0.6
69.03409	2.3
69.72637	4.3
70.06575	0.8
79.05475	1.6
81.03400	1.7
85.02901	7.7
91.05482	4.7
93.07079	3.0
95.04961	1.8
97.02895	2.9
103.05457	2.5
105.06985	3.1
107.04945	7.0
109.02859	0.9
112.80186	0.7
115.05431	1.3
117.07009	1.7
119.04922	1.1
121.06487	4.7
123.04417	2.6
124.05206	1.4
125.06001	0.9
127.03905	1.2
128.06192	1.8
129.07008	9.7
131.04910	3.3
131.08531	5.6
133.06479	1.7
135.08032	1.7
137.05959	5.4
140.04684	0.7
141.06950	2.2
143.04941	0.9
145.04980	1.7
145.06442	2.5
146.07256	0.9
147.04387	0.9
147.08128	1.0
148.05153	1.4
149.05959	2.5
151.03920	1.0
151.07533	6.5
152.04703	1.3
153.01808	1.8
153.05452	2.8
157.06476	9.8
158.07274	1.6
159.08037	2.4
160.05276	0.8
161.05984	9.4
161.09616	3.0
162.07748	0.7
162.33986	0.5
163.07530	6.8
165.05551	0.6
165.06956	1.1
165.09094	2.4
166.06233	3.6
167.07039	27.5
168.07219	0.6
169.06413	1.4
170.07289	0.7
171.08032	0.8
173.05966	0.9
174.06749	7.2
175.07562	6.2
177.05478	1.4
177.09053	4.2
179.07076	1.3
179.08568	1.3
180.08678	2.2
181.08578	29.3
182.07275	1.2
186.06694	1.7
187.07556	0.8
189.09099	33.5
191.07079	1.4
191.08624	0.8
191.10692	1.6
193.06517	1.0
193.08540	1.0
194.07263	0.9
195.08032	2.1
197.09624	1.9
201.09119	3.7
207.08202	1.4
207.10164	4.5
208.08875	0.7
209.06035	0.7
209.09625	0.8
210.06735	1.1
211.07654	1.1
219.08202	1.5
219.10144	37.6
221.06027	1.2
222.06757	0.7
223.07553	2.0
223.11110	0.9
225.09125	6.1
227.07057	1.1
229.12151	0.8
235.07610	1.1
236.08395	1.0
237.09061	1.8
238.06291	0.9
239.07031	1.1
239.10681	1.0
241.08502	0.7
242.09334	0.9
247.07524	0.7
251.06985	0.8
251.10750	2.9
253.08659	4.1
255.10194	1.8
257.11725	4.9
261.08948	0.6
265.08536	1.0
267.10123	1.2
268.07251	0.9
270.08920	1.1
271.13202	0.6
276.88269	0.6
277.27011	0.6
278.15668	0.5
279.10107	2.0
281.08081	0.7
283.09662	4.7
283.13309	3.0
285.11169	9.9
286.11438	0.6
296.10376	0.8
297.11142	1.1
299.12653	1.8
300.09869	0.9
302.11404	1.4
305.13940	1.3
309.11057	0.8
311.12741	2.4
314.11523	0.7
315.12204	6.1
317.13855	9.2
329.13861	1.4
331.15372	2.3
343.15369	15.4
344.15802	0.8
361.16434	100.0
362.16776	2.4
373.16473	1.4
573.16370	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	0.8
64.03558	0.5
69.03400	1.0
69.50586	5.6
70.06572	2.7
79.05466	1.8
81.03414	1.1
81.07039	0.6
84.93409	0.5
85.02908	5.4
91.05473	3.7
93.07040	2.7
95.04951	1.7
96.04473	0.7
97.02903	1.4
103.05447	1.8
105.07027	2.0
106.04137	0.7
107.04939	6.1
107.65629	0.6
109.02908	1.0
111.04421	1.1
115.05435	0.7
117.07001	1.3
119.04946	1.3
121.06488	4.7
123.04424	2.2
124.03917	0.6
124.05206	1.0
125.05926	1.0
127.03913	0.9
128.06216	0.7
129.06993	4.7
131.04929	2.4
131.08578	2.8
133.06494	1.0
135.04364	0.8
135.08095	1.1
137.05980	4.2
140.04692	0.9
145.05023	0.6
145.06429	1.2
147.04407	0.9
149.05986	1.4
151.03822	0.9
151.07547	5.2
152.04659	0.7
153.01810	1.3
153.05469	2.7
153.06757	0.6
155.07040	0.9
157.06503	5.9
159.08022	1.3
159.90472	0.7
161.05974	10.8
161.09599	2.5
163.07549	4.4
165.07033	1.5
165.09106	2.1
166.06250	2.8
167.07047	20.0
167.08392	0.8
174.06778	2.9
175.07553	2.8
177.05478	1.7
177.09154	3.7
177.10483	0.6
179.07042	1.1
179.08540	0.9
181.08594	21.4
182.07304	0.9
189.09102	18.4
191.10690	0.9
193.08585	1.5
194.07321	0.7
195.08090	2.0
197.09621	2.5
207.08281	1.1
207.10167	3.7
208.08688	0.9
209.09584	0.7
210.06882	0.9
219.08212	1.1
219.10112	0.9
221.05974	1.1
221.09506	0.6
223.07550	1.6
223.11165	1.6
224.08315	0.7
225.09097	3.7
227.07060	1.5
233.09520	0.6
236.08302	1.0
237.09093	0.7
239.06982	0.8
242.09277	0.8
247.07468	1.3
251.07195	1.3
251.10619	2.6
253.08658	3.3
254.09142	0.9
255.10159	1.2
257.08014	0.6
257.11716	3.9
265.08572	0.9
265.12320	0.7
267.10220	1.1
268.07950	1.2
268.10898	0.9
269.08075	0.9
270.08826	1.2
279.10150	1.1
283.09662	3.1
283.13260	2.7
285.11172	7.1
297.11285	1.2
299.12537	0.6
300.09970	0.8
301.14606	1.0
302.11435	1.7
303.05060	0.7
305.14136	0.6
309.11090	0.7
311.12698	1.4
314.11594	0.7
315.12378	3.2
315.94135	0.7
316.03915	0.6
317.13794	5.2
329.13876	1.7
331.15384	1.7
341.13947	0.6
343.15430	9.1
361.16431	100.0
362.16776	1.7
373.16376	3.0
570.27063	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03409	0.4
70.06597	4.0
70.86317	0.5
70.86662	0.3
74.70047	0.2
82.06569	0.5
83.07354	0.3
85.02879	0.8
91.05473	0.8
95.04939	0.4
96.08134	0.7
97.02899	0.4
107.04962	0.4
115.05423	0.5
116.50301	0.2
117.06998	0.3
123.04398	0.7
127.03899	0.5
128.06201	0.4
128.07095	0.4
129.07002	3.2
131.04916	0.6
131.08572	4.8
135.04401	0.3
137.05939	0.7
141.06985	3.2
144.05719	0.7
145.06502	0.5
146.07210	0.4
147.04393	0.3
153.01791	1.9
157.06499	4.4
158.07260	1.9
159.08073	4.6
160.05182	0.7
161.05975	0.6
161.09644	0.6
163.03874	0.5
163.07495	0.3
167.07014	0.6
169.06454	2.4
170.07222	0.9
173.85612	0.3
174.06761	9.6
175.07555	2.1
177.05429	2.0
185.05975	0.3
186.06805	2.0
187.03880	0.3
187.07513	0.5
188.08287	0.7
189.09105	20.3
190.09483	0.3
191.06976	0.4
191.10628	1.7
201.09113	7.3
203.07062	0.7
203.10623	0.4
207.10104	0.3
219.10155	100.0
220.10541	1.2
234.11287	0.5
237.11208	2.6
266.10303	1.2
303.04889	0.3
537.16290	2.2
570.16333	1.1
589.31226	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37952	0.3
55.05510	0.4
57.11227	0.3
57.80968	0.3
60.62324	0.3
63.48953	0.3
67.05496	1.0
68.25414	0.3
69.03412	0.3
69.07074	0.5
69.96679	2.0
79.05520	0.7
81.07045	1.3
85.02902	0.7
90.24272	0.4
90.36889	0.3
91.05492	0.7
93.07035	1.1
95.04942	0.5
95.08607	1.0
97.02892	0.5
98.20819	0.5
105.07044	1.1
107.04987	0.3
107.08582	0.8
109.10162	0.8
109.47037	0.4
117.07022	0.4
119.02489	0.3
119.08577	0.7
121.10124	0.5
123.04387	0.5
133.06433	0.5
135.11729	0.3
147.04376	0.3
148.59485	0.3
153.01825	0.8
157.10011	0.4
167.06979	0.8
173.13277	0.4
185.04274	0.5
203.05331	1.0
215.17250	0.3
254.65894	0.4
259.07986	1.3
318.80136	0.3
333.20575	0.4
407.23840	1.7
457.20477	2.5
471.21838	2.9
487.21384	1.0
569.29285	100.0
570.29626	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34362	0.5
55.05499	0.9
67.05499	0.8
69.03403	0.8
69.07066	1.3
71.04980	0.5
71.19942	1.0
78.88548	0.4
79.05486	0.8
81.03407	0.9
81.07040	2.0
91.05460	1.5
93.07043	1.9
95.04957	1.1
95.08603	1.1
105.07043	1.1
107.08564	1.2
109.02858	0.6
109.10161	1.1
117.07066	0.6
119.08559	1.0
121.10139	0.7
123.04406	0.8
131.08554	0.6
133.06509	0.7
133.10173	0.5
135.11671	0.7
145.06577	0.5
145.10153	0.7
147.04373	0.9
153.01836	0.9
159.11726	0.5
167.07051	1.1
185.13237	0.5
190.59845	0.4
201.87274	0.4
203.05289	0.6
259.07938	0.9
301.14349	0.7
332.89307	0.5
407.24026	1.8
440.37427	0.5
457.20700	3.0
471.16318	0.6
471.21902	3.3
487.21738	0.5
524.72772	0.5
527.68549	0.5
569.29315	100.0
570.29730	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31753	0.7
50.32361	0.6
51.33876	0.7
55.05501	3.7
55.60984	0.6
67.05504	12.5
69.03423	3.0
69.07065	1.9
69.51499	3.1
69.51929	3.2
70.56569	0.8
71.04982	2.2
79.05491	4.8
81.03419	8.2
81.07044	8.0
81.29784	0.7
83.04991	2.7
83.08625	3.4
85.02895	2.4
91.05485	4.3
93.07033	6.7
93.07448	0.6
95.04961	1.8
95.08607	3.4
95.46931	0.7
97.02901	1.5
97.06550	1.8
98.24720	0.9
103.05471	0.7
105.07047	3.2
107.04933	1.0
107.08603	3.3
109.02882	1.4
109.06579	1.0
109.10146	7.7
111.04472	1.6
111.08068	1.2
112.65478	0.7
117.06996	1.2
119.08607	2.6
121.10148	2.4
123.04466	1.2
125.09678	1.3
127.03896	1.6
129.07025	0.9
131.04984	1.0
131.08591	1.9
133.10144	2.4
135.11708	1.1
137.06010	1.3
145.10162	0.8
147.11659	1.7
149.09634	1.0
149.13289	1.8
159.11665	1.4
167.07114	1.3
173.11800	2.3
175.11203	0.8
177.12769	1.0
193.12329	1.3
195.13969	1.6
207.49722	0.8
229.14273	1.1
251.12720	1.8
283.15152	9.3
283.17654	0.9
299.14825	1.0
339.17816	6.3
403.37564	0.7
423.27435	2.0
567.31482	100.0
568.32062	1.5
575.96198	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.05510	9.2
55.54450	1.7
57.07055	5.3
57.44615	1.5
59.05018	2.2
61.60459	1.6
65.03912	2.7
67.05503	13.5
69.03398	1.8
69.07060	12.1
71.08643	1.9
71.31538	3.0
79.05482	26.9
80.06262	4.4
80.54077	1.5
81.07046	33.3
83.04969	3.2
83.08610	4.7
84.23333	1.5
85.06564	3.6
85.07027	1.5
91.05469	40.1
92.06234	2.5
93.07037	53.0
95.04963	43.0
95.08598	27.4
97.06507	3.2
103.05472	4.4
105.07022	89.5
106.07846	3.3
107.08580	44.4
107.09290	2.5
108.70624	1.6
109.06507	5.5
109.10131	22.4
111.08095	2.2
115.05448	7.8
117.07006	25.6
118.07803	2.4
119.08572	100.0
120.09438	8.1
121.10130	35.3
123.08070	16.3
123.11684	6.6
125.09598	3.9
128.06213	8.8
129.07010	16.6
130.07777	10.6
131.07579	2.5
131.08560	47.4
132.09349	15.4
133.10123	60.9
134.10898	7.1
135.08038	6.6
135.11671	21.5
137.09621	4.9
138.10405	8.9
139.11147	3.2
141.07008	6.4
142.07782	16.9
143.08548	41.0
143.09685	2.4
144.09341	15.2
145.10107	90.5
146.10822	6.9
147.08040	3.1
147.11690	25.8
149.09598	4.8
149.13219	4.4
151.11116	3.1
153.06955	3.3
154.07770	3.8
155.08522	17.5
156.09337	17.6
157.10114	56.2
158.10909	9.4
159.11678	41.7
160.12445	4.6
161.09616	4.9
161.13260	9.5
163.11201	4.3
165.07022	6.0
166.07755	3.4
167.08571	6.0
168.09357	6.6
168.21242	1.5
169.10094	26.6
170.10927	9.0
171.11664	38.4
172.12408	6.0
173.13232	32.2
175.11263	2.2
175.14825	23.0
177.12747	5.1
179.08527	8.5
180.09311	5.4
181.10129	15.1
182.10934	8.2
183.11687	27.5
184.12453	8.2
185.09665	1.9
185.13252	31.1
186.13982	8.7
187.14813	16.4
189.12842	5.0
191.14302	10.9
192.09367	3.4
192.15071	3.8
193.10162	8.9
193.15854	2.5
194.10789	8.2
195.11636	20.0
196.12512	10.8
197.13234	31.1
198.14034	6.2
199.14836	14.3
200.15567	2.4
201.12788	3.7
201.16418	6.7
203.14226	2.6
205.10175	3.0
206.10963	3.9
207.11707	10.6
208.12483	5.5
209.13222	25.7
210.13890	3.9
211.14810	19.8
212.15639	2.5
213.16357	6.6
215.14250	2.2
217.15887	6.5
218.16498	2.5
219.11711	3.3
219.17313	3.4
220.12460	4.6
221.13246	10.2
222.14040	6.0
223.14838	11.4
224.15532	5.4
225.16391	10.7
226.17126	3.5
229.15834	2.7
231.11713	1.9
231.17546	2.5
232.12576	1.7
233.13211	3.1
234.14149	3.0
235.14867	6.7
237.16423	7.5
238.17172	2.4
239.17947	6.0
241.19589	4.1
244.20859	2.0
245.13258	2.0
247.14836	2.5
249.16307	4.4
250.17143	2.2
251.18024	4.7
253.19516	3.4
255.17361	1.7
257.18973	2.6
259.20596	2.6
261.16367	3.9
263.18045	3.8
265.19455	5.5
267.20981	2.2
267.54388	1.7
273.16425	2.2
275.17899	2.7
277.19485	3.7
278.20245	2.1
279.21008	2.3
283.20557	3.9
285.22025	3.6
291.21103	3.0
297.22308	3.9
305.22626	5.3
323.23792	9.5
331.24481	2.3
337.25143	2.7
338.25980	57.8
349.25284	3.0
351.26840	2.6
362.25980	2.3
375.26794	1.9
385.28714	1.9
420.29822	2.9
430.32281	20.8
476.36514	33.7
512.36115	1.8
550.41058	2.8
568.42694	53.0
568.56830	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	567.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
55.05510	2.4
56.88428	0.6
57.03407	0.6
60.25306	0.5
64.75303	0.6
67.05167	0.8
67.05501	10.5
69.03408	2.6
69.07059	1.2
70.11386	2.0
71.04980	0.6
78.23320	0.5
79.05488	3.0
81.03416	6.5
81.07050	6.4
83.04971	1.6
83.08629	2.5
85.02892	1.7
85.06529	0.7
88.58876	0.6
91.05472	3.3
93.07027	3.6
95.04952	1.7
95.08595	3.0
97.02904	1.3
97.06548	0.9
105.07015	1.9
107.08588	2.4
109.02851	1.7
109.06538	0.5
109.10157	5.2
111.04459	1.3
111.08049	1.0
117.07016	0.8
119.08549	1.8
121.10172	0.9
123.08059	0.6
125.09615	1.0
127.03847	0.8
131.04959	0.6
131.08557	1.3
133.10136	1.7
135.07970	0.4
135.11702	0.7
137.05989	1.3
137.09578	0.6
147.11703	1.3
159.11656	1.0
167.07040	1.3
173.11737	1.5
181.04865	0.8
185.04195	1.0
203.05232	1.8
229.14296	0.9
259.07892	2.0
269.17514	0.8
283.15176	3.8
331.10074	1.4
331.18478	0.7
339.17926	2.9
405.22525	2.0
423.27280	0.7
439.27039	0.6
469.19797	0.6
567.27203	100.0
568.27698	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.155
Annotation	Apiin
Peak:m/z	Relative Intensity
51.83421	0.1
54.43456	0.1
57.03415	0.1
67.01857	0.4
68.99807	0.2
69.03410	0.2
70.16466	0.2
70.16872	0.2
73.02901	0.3
85.00621	0.1
85.02891	0.3
91.05469	0.4
97.02872	0.1
107.04945	0.6
108.05278	0.2
109.02884	0.1
115.03942	0.1
119.04935	1.9
121.02877	0.4
123.04406	0.2
124.04739	0.1
127.03870	0.1
129.01802	0.1
139.03914	0.2
145.02779	0.5
146.79002	0.1
147.04375	0.2
148.04715	0.1
152.18855	0.1
153.01819	3.9
161.05945	0.1
163.03864	0.3
171.02879	0.7
181.04967	0.1
187.03912	0.2
203.07016	0.2
216.09448	0.1
225.05449	0.3
229.04951	0.3
243.06427	0.4
247.05997	0.1
247.35809	0.1
270.04990	0.1
271.05984	100.0
272.06308	1.6
273.07236	0.1
289.06100	0.1
313.93515	0.1
336.74298	0.1
395.10181	0.1
422.39023	0.1
433.11398	0.4
565.15637	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21719	0.9
53.03929	1.1
55.01852	1.8
55.05490	0.9
57.03417	1.1
59.49903	1.0
60.21765	0.9
61.02921	1.8
66.57712	0.9
67.05466	1.0
69.03419	4.5
70.03056	1.9
70.03473	3.3
71.04984	7.1
79.05470	3.9
81.03385	1.7
81.07047	18.2
85.02901	12.4
90.56142	0.9
91.05474	8.8
93.07030	16.4
95.04940	3.0
95.08591	3.7
97.02886	10.4
99.03830	1.8
99.04439	25.7
105.07018	30.3
107.04941	2.8
107.08572	11.0
109.02864	1.5
109.06499	5.3
109.93620	0.9
111.04438	1.3
111.08071	8.5
113.05979	1.2
119.04924	2.1
119.08568	2.9
121.06464	3.5
123.04372	2.2
123.08038	3.0
125.05980	1.0
127.03889	3.2
128.06204	2.4
133.06541	5.2
133.10117	51.9
135.11687	2.8
137.05945	6.8
143.08549	6.1
145.04915	4.4
145.10078	3.5
146.07259	2.3
147.08035	1.8
151.07521	3.7
151.11194	5.5
153.01927	1.0
161.09599	57.7
163.06004	1.6
163.11139	13.0
167.07030	2.8
168.07336	1.4
171.08015	2.1
179.10652	25.6
181.08623	1.5
189.09090	20.0
196.24347	1.1
206.04631	1.0
207.10138	16.6
225.11189	100.0
369.15219	1.2
455.81329	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.9
55.05488	0.3
63.48323	0.3
65.03928	0.7
65.80821	0.3
66.83980	0.3
67.05489	1.1
67.83108	0.3
68.99779	1.5
69.03414	0.7
69.84901	1.7
70.06587	0.5
79.05453	0.6
81.07041	0.5
83.04953	0.9
85.02892	0.8
86.90199	0.3
89.06030	0.4
91.05457	0.8
93.03397	0.8
93.07037	0.6
95.04955	1.5
95.08611	0.5
97.02898	0.7
97.06512	0.4
103.05399	0.3
105.07018	0.4
107.04959	1.3
107.08586	0.4
109.02895	0.5
111.00802	0.4
111.04436	3.6
111.11680	0.3
115.05420	0.4
117.03370	0.4
117.07027	0.3
119.04939	0.7
119.08536	0.4
121.02871	0.6
123.04427	2.7
125.02284	0.3
127.03926	3.6
129.06946	0.5
133.08650	0.3
135.04375	0.5
137.05965	0.9
138.64865	0.3
139.03888	100.0
140.04236	0.6
141.06996	0.5
145.02864	1.0
145.10081	0.3
147.04463	1.0
147.11630	0.4
149.02336	0.3
151.03886	8.9
151.07625	0.3
153.01836	1.9
153.05380	0.6
155.04958	0.3
157.06477	0.4
163.03888	5.0
165.05476	0.6
167.03423	0.4
167.07045	1.0
169.06384	0.8
171.04483	0.3
173.06023	0.5
177.05449	3.1
181.04942	1.6
181.06371	0.6
181.08649	0.4
185.05989	1.3
187.07542	0.7
189.05536	1.0
191.03398	0.4
197.05992	1.2
199.03925	1.1
201.05481	0.8
203.07030	1.0
205.04933	0.5
207.04395	0.5
209.06023	0.6
213.05435	1.9
215.07031	1.1
217.04895	1.7
217.08510	0.3
218.85248	0.3
225.05408	0.9
227.06990	0.4
229.04974	2.2
231.06470	2.1
232.06825	0.4
237.05443	1.1
241.04938	0.5
242.05611	0.5
243.06477	2.1
245.04456	0.7
251.09332	0.5
251.98477	0.3
253.05013	0.9
255.06479	1.8
257.04449	0.4
259.05981	4.9
265.04852	0.7
269.04465	0.4
271.06009	4.4
277.06937	3.3
279.06561	0.3
283.06033	1.5
289.06952	1.5
303.05032	0.3
327.06525	0.3
367.08273	1.4
379.08087	1.7
391.08035	1.5
397.09171	0.5
403.08133	1.4
409.09100	2.8
421.09076	1.5
427.10211	13.0
565.13318	4.4
565.22174	2.0
565.35620	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
57.03434	1.1
62.01182	0.5
64.35739	0.4
69.03426	12.6
71.05037	1.2
73.02911	2.4
81.03416	5.8
84.04495	1.0
85.02898	7.6
97.02879	1.6
99.04455	4.0
103.05475	0.5
107.04956	1.1
109.02864	2.1
119.04974	0.6
124.06795	0.4
127.03896	5.2
145.04947	1.5
147.04367	1.2
163.03915	0.4
175.03900	1.2
187.03903	3.8
191.03397	0.6
201.01773	0.8
203.03360	2.0
213.01831	2.0
215.03389	3.2
229.01250	1.7
231.02876	13.3
241.01305	2.2
247.02406	1.7
257.00800	2.7
259.02377	25.8
260.03036	0.7
275.01917	3.6
276.02579	1.2
277.03421	100.0
278.03760	1.2
285.00327	2.6
303.01331	64.0
304.01447	0.7
311.83038	0.4
321.02396	5.5
354.96643	0.5
363.03366	1.7
385.05417	0.9
429.04672	0.6
465.06644	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	564.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.9
55.01863	9.0
55.05502	29.8
57.03432	23.2
57.07080	6.3
61.02907	15.6
62.51329	5.5
62.75331	4.8
65.03933	8.4
66.21600	5.5
67.05503	90.0
69.03426	14.4
69.07064	45.9
70.79779	12.9
71.04974	6.5
78.37241	5.5
79.05489	84.1
81.03390	17.7
81.07050	92.5
83.04966	15.2
83.08613	15.8
85.02895	18.0
85.06553	7.2
89.06009	10.6
91.03936	9.3
91.05467	68.4
92.05810	5.5
93.07039	100.0
95.04961	22.9
95.08601	57.8
97.02887	24.1
97.06512	21.9
97.10179	6.9
99.04427	6.1
99.08092	8.0
105.07029	80.3
107.04932	14.4
107.08598	61.7
109.02887	7.4
109.06503	7.1
109.10140	28.8
111.08079	8.8
117.06992	32.2
119.08580	54.8
121.06493	7.3
121.10139	39.4
123.04382	9.3
123.08027	9.3
123.11771	7.6
125.09668	5.3
127.03883	12.2
129.05472	5.3
129.06998	12.3
131.08566	33.4
133.06474	5.3
133.10126	46.2
135.07976	6.0
135.11702	31.0
145.10155	25.8
147.08038	6.9
147.11684	28.9
149.09607	14.6
149.13231	27.3
157.10007	6.6
159.11682	33.6
159.12839	5.1
161.09689	7.1
161.13264	31.7
163.11230	6.7
163.14845	6.3
171.11707	18.0
173.13289	11.5
175.14825	11.9
177.12738	10.1
185.13199	13.3
195.13779	10.8
197.70801	4.6
199.14784	5.7
213.16444	5.3
229.14273	10.5
239.18080	5.6
241.19481	19.7
254.65657	5.0
259.20554	52.6
269.17450	79.8
274.07703	6.7
275.20026	14.0
277.21521	6.6
333.24286	7.6
349.23804	13.9
351.25281	95.9
480.86935	5.4
541.43195	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	564.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.9
55.01862	6.4
55.05509	13.9
57.03439	17.1
60.31775	1.6
61.02918	4.3
65.03923	3.1
67.05505	51.0
69.03423	7.5
69.07072	26.7
71.04974	5.1
73.02898	2.1
73.53590	1.5
79.05056	2.8
79.05491	36.4
80.31980	1.7
81.03406	8.9
81.07056	60.8
82.00900	1.7
83.04984	9.8
83.08609	13.3
85.02916	7.9
85.06536	4.0
89.12369	1.8
91.03954	2.5
91.05478	30.4
93.06470	2.8
93.07041	46.1
95.04982	10.1
95.08611	26.3
97.02881	7.5
97.06523	17.2
97.10181	4.7
99.04456	2.5
99.08114	3.1
105.07017	29.4
107.04930	15.0
107.08601	27.8
108.25204	1.6
109.02876	2.3
109.06527	5.7
109.10149	13.6
111.04451	1.7
111.08085	4.5
117.06998	14.3
119.04908	2.3
119.08567	21.5
121.06487	4.4
121.10152	15.1
123.04422	3.4
123.08062	3.2
123.11726	3.3
125.09614	4.1
127.03903	3.4
129.06990	2.3
131.08586	15.9
133.06465	2.3
133.10130	14.8
135.08046	4.7
135.11696	15.8
139.03896	2.2
143.08539	4.1
145.06496	2.4
145.10112	13.0
147.04398	4.6
147.11720	9.0
149.09650	9.6
149.13251	14.5
151.11162	4.3
153.01724	2.4
153.09152	1.6
157.10167	4.7
159.11682	22.1
161.09682	1.9
161.13205	4.4
163.11124	9.1
169.10094	3.1
171.11690	3.2
173.04491	2.4
173.13245	7.5
177.12737	23.6
179.14282	6.9
183.11708	2.5
187.11093	1.9
189.11238	2.6
195.13745	8.3
213.14825	2.1
229.19356	2.2
233.15373	2.8
239.18008	3.5
245.13763	1.7
247.20592	2.7
251.16441	5.2
255.15903	48.1
257.19067	8.4
267.15784	2.6
269.17471	100.0
275.20065	29.9
293.21146	2.3
349.23718	72.3
367.24777	21.2
394.09830	1.8
413.21658	3.7
427.82678	1.7
511.29031	4.2
555.42706	1.8
564.33063	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
55.01863	5.4
55.05510	11.4
57.03434	12.6
57.07067	1.6
61.02914	4.3
65.03938	1.5
67.05499	33.6
69.03419	5.2
69.07065	20.9
69.43001	1.4
70.57079	1.7
71.04969	3.4
71.08601	2.1
73.02917	2.0
79.05493	31.4
81.03409	7.3
81.07054	55.4
83.04987	7.7
83.08630	9.2
85.02908	8.8
85.06549	3.0
91.05476	20.3
93.07044	41.3
95.04971	6.1
95.08600	14.7
97.02879	3.3
97.06542	10.6
97.10172	3.9
98.20711	4.8
99.04466	1.6
99.08052	3.0
99.95855	1.7
105.07043	18.2
107.04963	7.5
107.08578	24.4
109.06526	4.5
109.10159	7.9
111.08076	5.4
113.18452	1.6
116.37798	1.8
117.07011	10.5
119.08595	11.8
121.06538	4.0
121.10135	14.5
123.04411	2.0
123.11720	3.8
125.09612	2.8
129.07034	2.3
131.08589	11.0
133.10120	16.2
135.08124	3.4
135.11687	18.5
137.09637	2.6
145.10110	10.6
147.11659	6.2
149.09608	5.3
149.13251	18.3
157.10155	2.6
159.11667	23.0
161.13298	4.6
163.11151	6.3
167.06998	1.8
171.11728	1.6
173.13264	5.2
177.12741	25.7
179.14320	5.7
195.13770	7.6
197.13286	2.0
228.14810	1.9
239.18030	3.2
247.20624	2.7
251.16473	5.2
255.15910	45.2
257.18945	4.3
269.17465	100.0
275.20050	18.4
287.70563	1.8
309.20795	2.2
349.23718	41.4
367.24734	18.3
389.18030	1.8
413.21677	3.8
421.96741	2.0
466.28790	2.7
511.28531	3.8
531.92712	2.1
545.93909	1.9
564.31885	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	563.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
54.55149	1.6
55.01862	5.7
55.05509	33.8
57.03436	9.6
57.07080	3.2
59.04997	2.2
59.24908	1.3
65.03938	3.1
67.05501	80.6
67.44855	1.4
69.03422	3.5
69.07068	24.0
70.68011	4.6
71.04982	7.7
79.05488	51.9
81.03426	20.1
81.07053	82.4
83.04987	14.1
83.08614	22.0
85.02890	6.7
85.06532	4.5
91.05475	41.5
93.07037	54.9
93.07626	2.9
95.04977	15.1
95.08606	60.2
97.06515	10.2
97.10159	17.0
98.20834	1.7
99.08071	4.0
100.99640	1.5
105.07021	42.2
107.04948	4.6
107.08585	36.4
109.06519	7.0
109.10146	33.9
111.04436	6.4
111.08067	7.5
113.09684	2.1
113.37984	1.3
115.05476	2.3
117.07012	17.3
119.08574	33.6
121.06492	3.7
121.10143	22.8
123.08046	3.6
123.11709	13.3
125.09605	12.3
129.06990	10.7
131.08556	28.4
133.10115	27.6
135.08032	4.2
135.11694	17.8
137.09624	4.8
137.13206	2.5
139.11177	2.2
141.06943	2.5
142.07762	3.1
143.08536	10.5
145.10118	28.1
147.08047	2.9
147.11679	22.3
149.09651	7.5
149.13248	9.7
151.11145	3.4
153.12784	3.6
155.08531	5.6
156.09340	2.1
157.10121	15.1
159.11681	18.9
161.09659	2.2
161.13229	10.4
163.11174	5.6
163.14886	2.5
165.12784	3.4
169.10179	6.3
171.11710	11.4
173.09625	1.8
173.11852	3.0
173.13229	13.2
175.11206	7.4
175.14890	3.8
177.12805	3.3
181.10213	2.7
181.12180	2.5
183.11688	6.0
185.11775	1.4
185.13242	7.6
187.13365	2.2
187.14859	8.5
189.11215	7.1
189.12697	1.7
189.16370	2.2
191.10652	2.8
191.14314	2.5
193.12227	15.1
195.11707	2.2
195.13660	1.4
197.13234	4.8
199.14818	4.6
201.16354	2.7
203.14223	1.7
205.15799	1.8
209.13304	2.4
211.13243	28.3
223.14986	2.0
225.16414	1.6
227.12732	10.6
227.18217	1.6
229.14331	6.4
243.15794	2.9
243.21063	3.5
259.20602	1.9
261.22134	9.1
267.15897	5.0
273.22141	1.4
277.21631	1.9
279.23099	4.8
283.15521	3.4
285.16965	14.4
285.21982	7.4
289.21826	2.6
299.23734	3.4
301.21860	2.9
301.25067	3.9
303.23099	10.6
311.23730	2.0
315.23438	2.1
317.24768	4.4
335.25812	17.9
337.24152	1.5
341.24716	1.5
359.25925	2.6
373.27414	3.4
377.26990	2.7
391.28488	2.1
417.31589	3.5
433.29422	2.1
435.32590	12.7
447.30774	2.0
453.33713	13.3
465.32346	2.0
471.34698	14.7
473.32629	4.8
487.34113	6.7
489.35556	3.2
491.33688	2.1
509.36197	3.0
527.37311	47.4
545.38342	100.0
546.38702	2.0
563.39349	41.2
586.78198	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69239	1.8
50.95438	1.5
51.04867	1.5
53.03934	3.9
54.01230	1.6
55.01865	5.2
55.05258	2.8
55.05507	32.7
57.03428	11.7
65.03953	3.0
67.05501	70.6
69.03407	2.7
69.07063	23.1
70.16956	5.9
71.04980	5.3
76.20314	2.2
77.91138	1.8
79.05059	3.6
79.05488	44.2
81.03416	17.3
81.07053	77.7
83.04964	10.7
83.08609	18.7
85.02889	6.4
85.06513	3.5
91.05474	37.8
92.05817	2.2
93.07036	43.8
95.04979	10.6
95.08603	50.8
97.06528	9.3
97.10159	12.7
99.08062	3.1
105.07021	42.5
107.04960	9.4
107.08591	32.9
109.06503	6.2
109.10143	30.8
109.59214	2.0
111.04430	4.5
111.08084	7.2
113.05973	1.9
113.09671	2.4
117.07005	14.5
119.04906	2.7
119.08566	28.2
121.10146	21.1
123.08100	4.6
123.11703	9.6
125.09613	10.6
128.06258	2.4
129.06985	9.1
131.08559	23.3
133.10123	26.3
135.08008	3.6
135.11678	16.6
137.09654	3.2
139.11186	2.2
141.07033	2.0
142.07816	3.0
143.08553	10.9
145.10118	19.3
147.11670	14.5
149.09608	6.3
149.13252	7.5
153.12782	4.6
155.08546	5.1
157.10083	12.9
159.11681	15.0
161.13229	10.1
163.11194	4.3
163.14815	3.2
169.10106	5.1
171.11711	7.6
173.11827	3.5
173.13254	9.1
175.11205	6.4
175.14786	3.5
179.14223	2.1
181.12253	3.2
183.11691	5.1
185.13258	5.3
187.14830	5.6
189.11169	6.4
189.16486	1.9
193.12230	12.0
197.13297	5.2
199.14784	3.5
201.16473	2.7
209.13332	3.0
209.15367	2.1
211.13216	18.6
211.14880	2.0
213.14534	1.9
227.12776	8.3
227.18161	2.3
229.14247	2.5
243.15996	2.0
243.21057	3.1
261.22116	9.7
267.15866	2.7
273.22171	2.1
275.20090	3.3
277.21555	2.7
279.23358	3.0
283.15390	2.6
283.94202	1.8
285.16980	12.5
285.22000	3.0
287.23328	1.8
299.23758	3.0
303.23090	7.5
317.24796	3.5
335.25763	17.4
337.92325	2.0
359.25684	4.3
373.51236	2.1
433.29321	2.6
435.32587	11.8
453.33685	10.7
471.34714	7.8
473.32382	5.1
487.34119	4.3
489.35754	2.7
509.36304	3.8
527.37299	41.1
545.38361	100.0
563.39331	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.3
51.25934	1.0
51.30862	0.9
53.03932	3.6
54.26519	0.9
55.01866	7.2
55.05507	28.8
55.90666	0.8
57.03170	1.3
57.03429	9.2
57.07064	2.8
59.04992	1.4
60.75837	0.9
61.64712	0.7
65.03928	2.9
67.05499	72.0
69.03420	3.3
69.06715	1.6
69.07065	19.6
69.73549	0.8
70.17126	3.1
71.04995	6.3
71.52103	0.9
73.06556	0.9
73.59747	0.8
77.03921	1.1
79.05486	42.0
79.15990	0.8
81.03407	21.5
81.07050	74.2
83.04971	12.7
83.08614	20.3
85.02887	8.1
85.06530	3.9
91.05472	37.9
93.07036	47.5
94.07360	1.1
95.04961	15.4
95.08600	48.1
97.02882	1.2
97.06519	8.4
97.10165	11.5
99.08086	3.5
103.05485	1.4
105.04494	1.1
105.07022	35.4
107.04951	4.9
107.08587	31.1
109.06532	5.4
109.10150	26.9
111.04443	4.9
111.08074	8.4
113.06017	1.5
113.09613	1.8
115.05489	1.5
117.07014	13.1
118.45560	0.8
119.08566	30.5
121.06488	2.4
121.10136	21.6
123.08057	3.8
123.11691	10.6
125.09624	11.5
128.06282	1.2
129.05534	1.0
129.06985	9.7
131.08557	29.5
133.06421	1.3
133.10123	24.7
135.08058	1.8
135.11673	18.1
137.09605	2.6
137.13242	2.2
139.11118	0.9
141.06915	1.9
142.07808	2.3
143.08543	9.7
145.10106	20.3
147.08043	2.6
147.11671	18.1
149.09604	4.9
149.13228	6.7
151.11198	2.7
153.09123	1.2
153.12714	4.2
155.08540	3.5
157.10120	13.6
159.11685	13.5
161.09644	1.3
161.13223	8.4
163.11174	4.9
163.14809	2.5
165.12772	3.0
167.08563	1.7
169.10100	6.0
171.10255	1.5
171.11646	7.9
173.11783	1.9
173.13208	11.9
175.11168	6.2
175.14864	3.1
177.12753	2.0
181.10150	2.2
181.12224	2.7
183.11725	5.4
185.13213	5.8
187.13342	1.2
187.14830	7.6
189.11214	7.5
189.12640	1.2
189.16324	1.2
191.10553	1.4
192.70218	0.9
193.12209	15.5
193.13837	1.1
195.11739	2.0
195.13768	1.4
197.13255	3.3
199.13226	1.2
199.14850	3.7
200.20276	1.1
201.12744	0.9
201.16446	2.0
203.14310	1.1
205.15836	1.1
207.11696	1.1
209.13371	1.9
209.15359	1.2
211.13235	25.8
213.16414	1.8
213.62886	1.1
221.13426	1.2
221.15387	1.0
223.14902	1.6
225.16399	1.4
227.12726	9.0
229.14264	5.9
237.49184	0.8
243.15912	1.3
243.21135	2.4
247.17084	1.3
258.83197	0.9
261.22137	14.3
263.20093	1.9
267.15948	3.9
269.17532	2.4
273.22159	1.4
277.21927	1.0
279.23254	3.6
283.15485	0.9
285.16946	14.0
285.22195	4.0
289.21835	1.2
299.23715	1.8
301.21686	2.4
301.25311	4.2
303.19904	1.3
303.23193	7.8
305.21158	1.0
305.68582	1.0
311.24149	0.9
313.21350	0.9
315.23346	1.3
317.24759	5.4
323.23737	1.5
327.23221	1.4
329.24780	1.2
335.25784	24.8
341.24832	2.3
351.25299	1.2
355.26480	1.4
359.25793	2.6
361.23550	1.2
371.26083	1.0
373.27356	1.8
381.27740	1.1
391.28433	1.4
417.31448	2.7
433.29562	1.4
435.32620	8.2
447.31067	1.8
453.33578	9.7
455.31409	0.9
469.33252	1.4
471.34750	10.1
473.32623	3.8
475.30933	1.0
487.34494	4.4
489.35684	3.8
505.35034	1.2
509.36343	4.0
527.31366	0.9
527.37274	39.5
545.38318	100.0
563.39331	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	563.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13805	2.4
53.03930	3.1
55.01860	6.7
55.05509	31.5
57.03427	8.6
57.07052	4.1
65.03939	3.3
67.05504	74.6
69.03409	3.4
69.07063	19.2
71.04970	6.4
79.05490	38.9
81.03417	19.1
81.07053	87.1
83.04964	10.0
83.08614	21.4
85.02906	5.5
85.06530	4.2
91.05473	44.9
93.06470	3.2
93.07040	47.7
95.04942	12.0
95.08608	51.9
97.06532	12.3
97.10169	17.0
98.21584	4.0
99.08077	3.7
105.07022	40.0
107.04929	5.6
107.08593	33.3
109.06519	7.6
109.10157	36.9
111.04432	6.5
111.08096	9.0
111.94337	2.1
113.09629	3.7
115.05494	2.1
117.07012	13.5
119.08572	33.1
121.06483	2.3
121.10152	23.8
123.08076	7.9
123.11716	12.2
125.09632	12.1
129.07002	10.9
131.08559	27.1
133.10118	27.5
135.08055	4.1
135.11685	20.5
137.09557	5.3
137.13245	2.4
142.07767	2.8
143.08533	10.9
145.06512	2.8
145.10138	25.3
147.11671	21.4
149.09610	4.3
149.13229	9.2
151.11169	2.8
153.12811	4.2
155.08556	5.9
157.10098	15.1
159.11679	20.3
161.13255	9.5
163.11145	7.4
169.10124	6.5
171.11679	9.4
173.11832	4.7
173.13275	16.5
175.11162	8.1
175.14824	4.1
177.12743	3.0
181.12228	3.6
183.11745	6.3
185.13237	10.0
187.14786	7.9
189.11198	9.0
191.10667	2.4
193.12216	20.6
197.13199	2.9
199.14786	5.7
201.16335	2.3
209.13292	3.5
211.13254	30.8
211.14999	3.7
213.16295	2.5
227.12843	9.6
229.14349	6.5
231.17502	2.6
243.21037	3.1
261.22147	10.1
277.21625	3.2
279.23221	3.8
283.15582	2.8
285.16989	14.2
285.22110	6.1
299.23468	2.9
301.25076	3.1
303.23148	9.3
317.24716	3.4
327.23248	2.9
335.25800	20.2
359.25885	5.1
377.26584	2.4
417.31494	5.8
419.53110	3.0
435.33023	11.1
453.33560	15.7
471.34592	13.5
473.32556	4.6
487.34348	6.7
489.35333	4.2
509.36102	3.7
527.37250	42.4
545.38354	100.0
545.46790	5.0
563.39447	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	563.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.3
53.03938	0.4
55.05519	0.4
56.97887	0.3
59.05011	0.4
63.02357	0.4
66.60797	0.3
67.05499	1.4
68.99795	0.3
69.03421	1.6
69.07079	0.3
70.06585	0.5
71.04999	0.4
71.58991	0.5
79.05476	0.6
81.03414	2.8
81.07044	0.6
83.04965	0.5
85.02905	1.5
85.06547	0.8
89.03912	4.3
91.05478	1.3
93.07040	0.8
93.94601	0.3
95.04978	0.7
95.08591	2.0
97.02892	0.7
99.04483	0.4
103.05471	0.5
105.07024	1.0
105.28749	0.3
106.04161	0.3
107.04954	7.2
107.08591	1.1
108.05269	0.3
109.02875	1.3
109.06490	0.4
109.10168	0.4
117.03374	14.5
119.04930	3.8
119.08587	1.2
119.38509	0.3
121.02853	0.5
121.06486	0.6
121.10142	0.5
123.04421	3.6
123.08025	1.7
127.03931	1.0
133.06468	0.5
134.03612	1.0
135.04433	1.8
137.05966	0.3
139.03900	2.4
145.02838	41.7
145.06490	0.9
145.10060	0.3
147.04410	4.4
147.11658	0.7
149.02304	0.5
149.05972	6.3
149.09593	2.4
151.03944	0.7
153.01828	1.1
156.09132	0.3
158.06078	0.3
161.05965	1.0
163.03880	1.0
165.05461	0.8
167.03374	0.8
167.07059	0.7
171.11676	0.4
177.05458	100.0
178.05867	0.5
179.03418	0.6
185.06052	0.3
186.05458	2.2
187.07500	0.5
189.12654	1.6
191.03395	0.6
195.06514	2.1
201.05537	0.3
203.03363	0.6
207.13815	3.7
213.05418	0.3
215.07036	0.4
231.06526	1.3
233.04466	0.5
239.77458	0.3
245.04420	0.7
245.08342	0.4
255.06436	0.9
257.04431	0.5
267.06378	0.5
271.06036	0.4
273.07544	1.9
275.05475	1.1
285.07507	1.1
287.05484	1.2
291.08661	1.1
299.05417	0.3
321.09662	3.9
339.10767	6.0
365.17361	0.5
387.10910	0.3
393.09668	1.5
395.11093	0.4
409.09235	0.3
411.10800	0.5
438.64462	0.3
563.19470	0.5
563.31012	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41071	0.4
55.01865	0.6
68.99773	0.9
69.26240	5.0
76.06570	0.5
81.03439	0.5
83.01091	1.0
84.41914	0.4
85.79152	0.5
91.05499	1.4
92.66410	0.5
93.18630	0.5
95.01108	0.7
95.04951	1.4
97.89381	0.5
98.06060	0.9
105.07028	0.8
107.04955	21.9
107.79318	0.5
111.00779	0.7
111.04411	0.7
113.02130	1.7
114.85147	0.5
119.04940	10.5
121.02837	0.9
121.81789	0.6
123.04423	9.8
127.03876	1.6
129.21271	0.6
133.06477	1.1
133.98363	0.5
135.04442	1.2
137.05997	1.2
139.03911	7.7
145.06461	2.3
147.04396	11.8
147.05518	0.9
149.02368	1.4
151.03889	3.1
153.01831	1.1
157.04819	0.6
157.06470	1.2
159.04254	0.9
161.06018	1.3
163.03893	2.0
163.07549	1.1
165.05461	1.8
167.03334	3.5
171.04431	1.9
175.03918	0.7
177.05589	0.6
179.03415	2.3
179.95039	0.5
181.06558	0.8
185.04205	2.6
185.05923	1.1
187.04001	0.7
187.07539	1.2
189.05461	2.8
191.03456	2.0
193.04936	1.1
197.06036	0.6
201.03729	1.0
201.05450	0.6
202.06036	1.5
203.03378	2.4
203.05281	4.1
203.06950	0.9
204.07541	4.0
205.08482	0.6
207.06494	0.8
213.05455	1.0
215.03273	0.6
227.07097	0.8
229.04889	0.9
231.06470	6.1
233.04596	0.9
243.06548	1.8
245.04352	1.7
255.06555	3.7
257.04495	2.1
257.08231	0.6
267.06522	1.6
273.07526	7.5
275.05585	3.9
275.08435	0.7
285.07605	4.7
287.05490	6.5
287.08551	0.7
291.08618	4.2
299.05670	1.2
303.01208	0.6
353.13611	1.7
383.14484	0.6
393.09714	5.4
395.11206	1.0
409.09021	4.0
411.10611	1.6
427.10757	0.7
437.12369	0.8
563.20966	100.0
564.20764	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.155
Annotation	3,5,7,4'-Tetrahydroxyflavan-(4-O-4)-3,5,7,4'-tetrahydroxyflavan
Peak:m/z	Relative Intensity
50.02975	1.0
55.01877	1.9
56.10678	1.0
65.03940	2.1
67.05470	1.1
68.99793	5.6
70.06601	5.8
71.06943	1.6
71.60229	1.5
77.16424	1.1
79.05502	1.9
81.03394	1.7
91.05476	5.8
95.04979	4.0
97.02880	1.2
103.05488	1.1
105.07048	1.5
107.04950	100.0
111.00790	3.1
111.04458	4.5
111.09212	1.8
115.05460	1.2
119.04939	54.9
121.02862	6.4
123.04422	44.5
124.04800	1.9
125.80114	1.1
127.03925	9.0
130.64105	1.0
131.04951	1.6
133.06529	6.7
135.04419	4.6
137.02356	1.3
139.03900	48.5
145.06464	11.1
147.04401	55.5
149.02333	9.0
151.03905	13.3
153.01840	2.6
157.06514	3.5
161.05965	7.6
163.03906	10.5
165.05496	7.6
165.06996	2.6
167.03413	17.9
169.06642	1.5
171.04401	11.0
175.03925	3.1
177.05525	3.6
179.03401	12.8
181.06509	3.1
183.08020	1.6
183.45235	1.1
185.05954	5.3
187.03941	2.2
187.07564	4.3
189.05502	11.5
191.03384	13.2
193.05026	4.7
197.05986	2.7
199.07602	4.8
201.05496	3.5
203.03398	8.3
205.04906	1.9
207.06551	3.3
213.05482	3.5
215.03427	2.1
215.07042	3.1
217.04993	3.2
227.07019	6.3
229.04913	5.8
231.06511	25.2
233.04390	7.5
239.07109	3.2
243.06522	10.1
245.04506	7.5
245.08128	5.1
251.05550	2.6
253.05023	1.2
255.06543	15.4
257.04526	13.0
257.08142	2.8
259.06015	2.1
267.06488	8.6
269.04593	3.3
269.07925	1.5
271.06052	3.2
273.07584	37.3
275.05466	20.3
275.08435	1.4
285.07544	22.3
287.05463	28.7
287.08389	2.3
291.08612	22.5
291.11639	1.8
297.07681	1.3
299.05423	5.7
303.08725	3.0
327.19357	1.1
393.09692	24.0
395.11349	3.8
405.09796	1.8
409.09122	9.7
410.14487	3.7
411.09967	6.7
411.15515	8.8
415.04196	1.3
419.12027	1.3
427.10397	3.1
437.12827	1.8
439.09976	1.6
485.49350	1.3
503.18417	1.5
563.20416	45.3
592.94702	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1543
Annotation	Gambiriin B1
Peak:m/z	Relative Intensity
50.70181	0.8
51.65857	0.8
53.03941	1.2
53.78390	0.9
55.01871	2.7
65.60211	0.8
67.05513	1.5
67.63695	0.8
68.99778	6.2
70.07298	0.7
70.24728	3.5
79.05486	1.8
81.03413	1.2
91.05460	5.3
93.86553	0.8
95.04971	5.1
103.05481	0.9
105.07049	1.5
107.04948	100.0
108.05329	1.2
109.02881	1.9
111.00792	1.9
111.04429	2.7
115.05441	1.5
119.04935	45.7
121.02854	6.1
123.04417	39.4
127.03905	42.8
131.04929	2.3
131.08524	0.9
133.06464	5.7
135.04399	11.5
137.02377	2.1
137.05989	1.1
139.03891	52.2
141.07001	1.7
143.04893	1.2
145.06485	11.2
147.04395	51.1
149.02318	8.0
149.05974	4.3
150.47937	0.8
151.03883	12.2
155.51704	0.9
157.06413	4.2
159.04396	2.7
161.06003	9.1
163.03893	16.5
165.05507	7.8
165.06905	1.5
167.03404	20.0
167.04709	0.7
169.06430	1.6
171.04375	11.1
171.05693	1.2
171.08066	1.7
173.05981	2.3
175.03842	4.7
177.05501	3.4
179.03407	10.1
181.06491	2.1
185.05946	4.3
187.03900	3.9
187.07516	4.1
189.01721	0.8
189.05479	9.4
191.03363	14.5
191.07056	1.4
193.04948	5.1
197.05939	2.1
199.07507	3.7
201.05504	5.3
203.03351	11.3
203.07014	1.4
205.04999	1.2
207.06454	2.1
213.05482	3.8
215.03448	1.9
215.07005	2.1
217.05037	1.9
225.05362	1.1
227.07082	3.5
229.04974	5.1
231.06516	25.8
231.08838	1.4
233.04385	7.3
237.05705	1.2
239.07028	2.8
243.06560	9.9
245.04437	8.0
245.08102	4.5
247.06036	3.9
251.05492	2.4
255.06525	14.9
257.04434	13.0
257.08218	2.0
259.06042	3.6
267.06482	6.9
269.04486	4.0
271.06012	8.0
273.07544	34.9
275.05505	24.1
275.09070	5.7
281.07925	0.8
281.46240	0.9
283.06201	1.5
285.07523	23.3
285.10623	1.3
287.05469	33.2
289.07196	4.8
291.08615	24.0
299.05463	6.4
301.07190	4.4
303.08682	3.4
311.05807	0.9
393.09650	23.9
395.11035	6.3
405.09674	1.7
409.09177	14.2
411.10666	9.1
419.10941	1.4
421.08951	1.5
427.10007	5.0
437.12665	1.0
439.10583	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11372	0.9
51.33852	1.0
53.76023	0.9
55.01860	1.3
65.03926	1.3
67.05512	1.4
68.99786	5.0
69.57018	7.8
79.05482	1.4
81.03374	0.9
84.68373	0.9
91.05461	5.6
95.01101	1.2
95.04970	4.9
97.02879	1.0
98.06042	1.3
98.21035	4.1
103.05454	0.9
105.07038	1.0
107.04948	100.0
111.00814	3.4
111.04432	2.7
117.06983	1.6
119.04937	48.1
121.02867	5.7
123.04417	35.2
123.05315	1.8
127.03916	6.5
131.04929	1.4
133.02972	1.0
133.06471	5.4
135.04413	2.0
137.02328	1.7
137.05943	1.2
139.03893	39.5
145.06474	10.2
147.04402	51.8
149.02324	5.4
149.06142	1.3
151.03908	11.2
153.01913	1.2
153.06934	1.2
157.06525	3.0
159.04346	1.1
161.05992	8.1
163.03888	7.1
165.05502	5.8
167.03394	16.2
167.04732	1.6
169.06438	1.2
171.04340	8.9
175.03960	3.1
177.05507	2.4
179.03394	10.6
181.06526	2.4
185.04320	2.3
185.05991	3.4
187.07539	4.1
189.05486	9.2
191.03398	12.0
193.04947	4.2
197.06026	1.4
199.07578	2.8
201.03763	1.2
201.05505	3.4
202.06107	2.5
203.03419	10.0
203.05299	4.0
204.07452	2.4
205.04951	1.8
207.06580	3.2
213.05405	4.9
215.03397	1.4
215.07002	1.8
217.05069	1.8
227.07037	4.6
229.04990	4.6
231.06506	26.7
233.04514	5.0
239.07036	2.0
243.06538	9.3
245.04440	8.5
245.08188	4.5
251.05579	3.2
255.06500	16.4
257.04440	13.1
257.08337	1.4
258.05069	1.0
259.05981	1.7
267.06519	6.6
269.04440	3.0
269.08148	1.1
271.06018	2.2
273.07538	34.6
275.05496	19.1
285.07581	17.1
287.05466	30.6
291.08661	22.5
299.05664	5.2
303.08679	3.3
353.13715	1.6
380.55515	1.0
393.09708	22.8
395.11191	2.8
405.09775	1.2
409.09152	8.8
411.10776	7.1
427.10318	3.3
437.12283	1.2
439.10379	3.2
563.21021	77.5
576.20117	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1544
Annotation	Epicatechin-(4beta->8)-epiafzelechin
Peak:m/z	Relative Intensity
51.02382	1.2
53.03933	0.6
55.01866	0.9
65.03950	0.6
68.99796	2.6
71.00423	0.7
71.00816	1.5
79.05485	1.0
81.03398	0.7
91.05464	3.2
95.04993	3.4
105.03409	0.7
105.04514	0.7
107.04951	100.0
108.05307	0.6
111.00813	1.9
111.04448	1.6
115.05473	0.6
117.07006	0.6
119.04944	31.3
121.02859	2.7
123.04423	48.1
127.03883	2.7
131.05000	0.6
133.06493	3.0
135.04402	1.9
137.02313	1.1
139.03897	20.3
141.07097	0.6
143.04880	0.6
145.06494	7.1
147.04402	38.0
149.02324	4.2
151.03877	5.5
153.01788	0.9
157.06473	2.1
159.08084	0.6
161.05989	5.7
163.03899	5.7
165.04123	1.0
165.05449	8.3
165.06728	1.0
167.03413	9.7
169.06479	1.1
171.04390	6.6
174.64101	0.6
175.03946	1.8
176.65819	0.5
177.05495	0.9
179.03410	7.2
179.07040	0.8
181.04912	0.9
181.06485	0.7
185.05960	3.0
187.03925	1.8
187.07541	2.6
189.05470	7.2
191.03404	6.7
193.04936	5.0
197.06012	1.6
199.07539	2.2
201.05504	1.9
203.03389	7.7
203.07037	1.5
207.06512	2.2
213.05449	3.4
215.03406	1.3
215.07047	1.2
217.04996	1.6
227.07037	3.2
229.04916	3.2
231.06512	24.2
233.04509	3.0
239.07108	1.8
241.04953	0.8
243.06522	4.7
245.04446	12.6
245.07982	2.9
253.04930	0.9
255.06496	9.8
257.04453	14.9
257.08160	1.1
258.05307	1.5
259.06088	1.1
267.06485	4.4
269.04526	1.7
269.08115	5.0
271.05902	1.8
273.07578	22.1
275.05472	12.0
279.06680	1.1
285.07535	10.5
287.05490	30.4
291.08633	10.6
297.07663	2.2
299.02304	1.1
299.05502	10.4
301.07166	0.6
303.08679	2.9
331.08075	1.2
391.07910	0.7
393.09677	21.0
395.11099	3.1
401.10443	0.6
405.09512	1.6
409.09097	19.6
409.14230	1.0
411.10828	3.4
419.11185	6.7
421.09134	1.3
423.10736	0.9
427.10303	4.4
437.12271	3.1
439.10211	7.5
545.14905	0.9
563.21936	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1543
Annotation	ent-Epicatechin-(4alpha->8)-epiafzelechin
Peak:m/z	Relative Intensity
53.03936	1.2
55.01868	2.3
62.25951	0.8
65.03910	0.9
68.99781	4.4
69.31496	1.9
69.31911	6.7
69.85757	0.7
73.94232	0.7
76.07056	0.9
77.03928	1.0
78.19945	0.8
79.05505	1.4
81.03423	1.0
91.05486	6.5
95.04951	3.7
97.02883	0.8
105.07019	1.5
107.04948	100.0
111.00800	2.8
111.04431	2.5
119.04935	50.4
121.02873	5.5
123.04423	27.9
123.05315	1.6
127.03894	4.9
131.04848	1.2
133.06468	7.1
135.04422	1.8
137.02245	0.8
139.03894	33.6
141.07074	1.2
145.06467	10.9
147.04398	58.6
149.02313	6.4
151.03891	13.9
157.06479	3.4
161.05984	5.8
163.03891	5.9
165.05476	6.1
167.03397	19.4
167.04744	1.5
169.06378	1.4
171.04381	9.3
171.05472	0.9
171.08067	1.8
175.03925	2.9
177.05403	2.4
179.03371	9.1
179.07005	0.8
181.06517	1.8
185.05983	5.0
187.03931	1.3
187.07483	4.7
189.05460	10.8
191.03389	10.6
193.04974	5.2
197.05942	1.0
199.07526	3.7
201.05492	2.5
203.03362	8.6
203.06955	1.0
207.06447	1.2
213.05508	3.8
215.03397	1.1
215.07082	0.8
216.45380	0.8
217.04994	1.1
227.07066	5.3
229.04982	3.6
231.06497	27.6
233.04419	5.7
239.06966	2.5
243.06525	11.2
245.04463	5.1
245.08083	6.3
251.05394	1.4
255.06487	21.3
257.04449	10.1
257.08264	1.0
259.06000	0.9
267.06491	5.1
269.04477	2.1
273.07556	49.5
275.05490	21.3
275.89996	0.9
285.07559	22.8
287.05496	25.8
291.08609	23.8
299.05515	4.3
303.08691	3.2
382.54553	0.8
393.09634	30.3
395.11325	4.1
405.09686	1.1
409.09204	7.0
411.10751	5.7
419.11215	1.1
427.10153	4.6
474.68161	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1542
Annotation	Epicatechin-(4beta->8)-epiafzelechin
Peak:m/z	Relative Intensity
53.11071	0.8
55.01871	1.8
63.36961	0.8
65.03933	1.7
68.99792	5.7
69.65784	6.4
79.05480	1.0
82.51447	0.9
91.05478	6.3
95.04970	3.6
98.21024	2.7
105.06995	1.0
106.59890	0.9
107.04948	100.0
111.00798	2.2
111.04430	2.7
111.31358	0.8
115.05434	1.4
119.04933	52.3
121.02840	4.6
123.04422	30.7
127.03922	4.5
131.04910	1.4
133.06480	6.3
135.04413	1.5
137.02312	1.1
139.02789	1.5
139.03885	39.2
145.06471	12.5
147.04401	51.3
149.02362	8.5
151.03899	12.1
153.07002	0.9
157.06500	3.6
161.05988	7.3
163.03926	7.0
165.05486	7.1
167.03398	17.4
171.04387	10.9
171.08015	2.2
175.03926	3.5
177.05460	1.8
179.03366	12.0
181.06465	2.3
182.53419	0.9
185.05978	4.4
187.03970	1.5
187.07571	3.5
189.05426	9.9
191.03371	12.9
191.43915	1.0
191.59814	0.9
193.04980	4.0
199.07536	3.0
201.05464	3.2
203.03386	9.8
205.04984	1.1
207.06577	2.5
213.05486	4.9
215.03476	0.9
215.06960	1.5
217.04930	1.2
227.07028	4.6
229.04884	4.1
231.06517	27.2
233.04407	6.2
239.07001	3.4
243.06494	8.1
245.04474	7.3
245.08139	3.7
251.05336	1.3
255.06493	14.2
257.04434	12.5
257.08090	2.6
259.06009	0.9
267.06488	8.1
269.04398	2.8
271.06003	1.6
273.07559	26.5
275.05475	16.0
285.07565	17.2
287.05475	25.2
291.08649	20.3
299.05530	4.7
301.89532	1.0
303.08548	1.6
393.09610	21.0
395.11151	3.9
405.09647	1.3
409.09027	8.5
411.10855	5.5
427.10272	4.4
494.82047	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
53.03918	0.6
55.01870	1.6
65.03929	0.9
68.99783	4.1
69.99451	1.7
69.99841	1.6
77.03931	1.1
79.05487	1.2
85.02892	0.8
91.05460	3.9
91.54780	0.6
95.04949	3.4
96.11179	0.6
99.00716	0.6
105.07046	0.7
107.04950	100.0
109.02870	0.7
111.00812	1.6
111.04441	1.2
119.04939	38.3
121.02871	4.9
123.04425	41.4
127.03918	3.1
131.04973	0.7
133.06509	3.9
135.04398	1.9
137.02328	2.0
139.03896	22.1
143.04872	0.6
145.06456	9.7
146.72438	0.6
147.04401	41.6
149.02353	4.5
151.03903	8.3
157.06467	2.8
159.08043	1.2
161.05980	6.9
163.03874	5.3
165.05484	6.2
167.03409	11.7
169.06468	0.8
171.04390	8.3
171.05719	0.8
171.08104	0.7
172.07437	0.6
175.03947	2.1
177.05392	2.1
179.03387	7.1
179.07076	0.9
180.31853	0.7
181.05002	1.0
181.06499	1.7
185.05919	3.7
187.07578	2.3
189.05457	9.0
191.03400	10.4
193.05005	4.1
197.05997	1.5
199.07521	2.8
201.05499	1.2
203.03375	8.0
205.05002	0.9
207.06520	2.3
211.07811	0.7
213.05450	4.3
215.03455	2.2
217.04997	1.8
227.06984	4.1
229.04942	3.2
231.06528	24.5
231.08849	1.3
233.04472	2.2
239.07074	2.0
241.04892	0.8
243.06535	5.6
245.04451	9.0
245.08070	3.8
255.06531	12.0
257.04434	13.2
257.08026	1.4
258.05069	1.3
259.05960	1.4
267.06531	4.3
267.10773	0.7
269.04407	2.5
269.08078	2.5
271.05960	1.5
273.07556	21.4
275.05536	10.1
285.07590	8.8
287.05508	26.7
291.08594	9.8
297.07565	1.4
299.05539	7.8
303.08557	2.7
331.08084	0.8
341.10446	0.7
393.09644	15.6
395.11166	3.9
405.09518	0.8
409.09036	11.8
409.13602	1.2
411.10675	2.4
419.11060	4.9
421.09003	1.0
427.10184	4.9
437.11880	1.1
439.10245	4.3
514.40607	0.8
563.17206	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	563.1545
Annotation	Gambiriin B1
Peak:m/z	Relative Intensity
51.02386	0.8
53.03925	0.9
54.97372	0.4
55.01865	2.4
56.96552	1.0
57.03429	1.1
61.02915	0.8
65.03934	1.5
65.86211	0.5
67.05491	0.9
68.99775	4.9
69.03423	2.6
71.05009	0.4
73.02912	1.0
77.03929	0.5
79.05479	1.2
81.03409	2.2
81.24494	0.5
83.04958	0.5
85.02901	6.0
91.03943	0.6
91.05466	5.5
92.58629	0.4
93.03355	0.7
95.04958	3.5
97.02884	2.4
98.21593	1.0
98.97598	1.2
99.04410	0.7
103.05470	0.5
105.07001	1.0
107.04945	100.0
108.05301	0.5
109.02875	1.5
111.00785	3.0
111.04420	3.3
115.05437	1.3
116.98621	1.7
117.06988	0.8
119.04931	55.1
121.02866	6.0
121.03751	0.6
121.06505	0.4
123.04420	29.6
125.02347	0.5
127.03910	8.2
129.07039	0.7
131.01855	0.7
131.04933	1.2
133.06477	6.4
134.99588	0.6
135.04405	2.0
137.02296	0.9
137.05977	1.1
139.03889	32.8
141.06961	0.6
145.05005	1.1
145.06470	12.9
147.04395	56.4
148.04829	0.5
149.02322	8.2
151.03880	13.3
153.01819	5.5
153.06935	1.1
157.06468	4.3
158.99689	0.9
159.08054	0.7
161.01244	0.7
161.02930	0.9
161.05963	6.6
163.02571	0.7
163.03854	6.3
165.05478	6.3
165.06853	1.0
167.03391	18.6
169.05042	0.7
169.06477	1.0
171.04375	11.5
171.05682	0.9
171.08046	1.5
173.02898	0.8
175.03885	2.8
177.00757	1.0
177.05472	2.0
179.03375	10.3
179.07011	0.8
181.04942	1.1
181.06482	2.4
183.08012	0.5
185.05966	5.6
187.03912	1.7
187.07518	4.2
189.05452	10.6
191.03375	12.9
193.04991	3.7
197.05975	1.3
198.98531	1.3
199.07494	3.3
199.98576	0.6
200.98334	3.4
201.00517	0.9
201.05475	3.3
203.03371	8.4
203.06961	1.0
205.04971	1.4
207.06497	2.3
211.07426	0.6
213.05450	3.7
215.03412	1.8
215.06934	2.1
217.04999	1.4
218.99452	1.1
219.01715	0.9
225.05539	0.9
226.98448	0.5
227.07010	5.6
229.04950	4.2
229.64941	0.5
231.06500	24.7
233.04442	7.4
237.02805	1.5
239.06996	2.3
241.05031	1.4
243.06477	10.0
245.04488	7.9
245.08002	4.0
246.05078	0.6
247.04950	0.6
251.05316	2.2
255.06500	15.7
257.04428	12.0
257.08099	1.5
258.05188	1.0
259.06082	1.8
261.02722	1.0
262.07159	0.5
263.00742	0.6
267.06494	8.3
269.04373	2.7
271.06070	1.7
272.06512	1.2
273.07556	34.6
274.08377	0.6
275.05502	17.5
277.03220	0.6
281.07318	1.7
285.00500	0.6
285.04422	1.0
285.07559	15.9
287.05475	26.0
289.06985	0.5
291.08609	16.4
299.05539	5.2
303.01443	1.9
303.08569	2.2
311.05777	0.6
325.06723	0.6
335.08456	0.6
337.09494	0.6
362.09476	0.9
362.59903	0.6
391.08066	1.1
392.09598	1.7
393.09647	21.4
395.11243	3.7
405.09619	1.2
409.09164	7.9
411.10773	5.2
419.10989	0.9
421.08972	0.8
423.10568	0.8
427.10239	3.7
439.10239	1.0
448.64233	0.5
465.06711	2.3
563.15247	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1545
Annotation	Gambiriin B1
Peak:m/z	Relative Intensity
55.01873	1.9
65.03936	1.6
68.99788	6.2
69.27322	4.4
69.27743	6.2
69.66579	0.9
74.99649	0.9
79.05507	0.8
85.02917	1.7
91.05474	5.0
95.04961	4.7
98.20950	3.9
105.07057	1.0
107.04950	100.0
111.00833	1.7
111.04433	2.5
119.04941	53.2
121.02843	6.2
121.74033	1.1
123.04421	38.3
126.66069	0.9
127.03910	8.1
131.04955	1.3
133.06499	7.2
135.04437	3.8
135.06493	1.0
137.02388	1.2
139.03896	41.5
145.06465	11.4
147.04405	60.5
149.02353	7.9
151.03886	15.3
153.07001	1.4
157.06474	4.5
159.08182	1.2
161.05994	7.9
163.03902	9.0
165.05481	8.7
167.03401	16.9
171.04381	10.1
171.05476	1.0
171.08069	1.6
173.05873	0.9
175.03923	4.2
177.05507	2.8
179.03365	14.2
181.05054	1.1
181.06477	1.4
185.05920	4.8
187.03983	1.9
187.07571	5.1
189.05479	10.9
191.03384	15.9
193.04964	5.0
197.05972	1.2
199.07504	4.1
201.05486	4.5
203.03403	11.4
205.04916	2.0
207.06493	1.4
209.54131	1.3
211.07579	1.7
213.05457	4.4
215.03514	2.1
215.07077	1.4
217.04839	1.3
225.05452	1.2
227.07040	5.6
229.04982	5.9
231.06512	29.8
231.97729	0.8
233.04428	6.4
239.07047	2.2
241.04956	2.3
243.06508	12.1
245.04431	8.9
245.08125	4.0
251.05563	3.1
255.06554	17.5
257.04428	15.1
257.08078	3.0
259.06036	1.1
267.06525	8.8
269.04565	2.7
271.06012	3.8
273.07581	35.5
275.05493	22.2
279.95935	1.0
285.07562	25.6
285.10645	1.7
287.05508	33.3
291.08615	22.5
299.05472	5.8
303.08615	3.0
315.08612	1.1
375.63583	1.2
382.08011	1.0
393.09662	26.6
395.11343	4.3
405.09723	1.7
409.09039	11.1
409.13385	0.9
411.10818	9.0
423.10690	1.2
427.10172	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	562.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44270	1.1
53.03936	3.8
54.05568	1.0
55.01867	2.8
55.05500	10.0
56.81067	1.0
57.03439	12.8
62.20929	1.0
63.52885	1.0
63.68093	1.0
65.03922	1.2
67.05497	20.4
69.03413	3.5
69.07064	5.1
69.96529	3.0
69.96935	2.7
71.01334	1.0
71.04982	3.4
74.30052	1.1
79.05074	1.1
79.05492	18.5
81.03413	75.5
81.07053	21.9
83.04977	10.8
83.08609	19.2
85.02898	12.1
85.06516	1.6
91.05471	25.5
93.07036	15.0
95.04966	28.7
95.08599	7.1
97.02876	3.7
97.06536	3.7
97.10186	5.3
98.20811	1.2
99.08095	1.5
105.07026	15.7
107.04948	12.5
107.08569	8.3
109.06494	3.9
109.10140	5.1
111.04470	2.7
111.08084	8.3
113.05973	1.6
117.06981	1.9
119.04918	3.1
119.08570	17.8
121.06496	2.9
121.10128	7.8
123.04395	5.5
123.08084	2.3
123.11703	2.0
125.09646	3.3
129.07001	9.8
131.08560	11.4
133.06494	3.1
133.10121	8.5
135.08069	1.6
137.06023	1.4
137.09584	2.5
139.03897	3.9
142.07782	2.4
143.08572	1.3
145.06433	3.3
145.10088	3.1
147.04362	2.4
147.08040	4.1
147.11681	10.3
149.09608	5.6
157.06491	1.0
157.10112	12.7
161.05946	1.0
161.09599	1.4
161.13278	1.4
162.81590	1.0
163.03903	1.3
163.11140	1.5
169.10034	1.7
170.63861	1.1
171.08075	1.3
175.11189	11.7
189.11247	1.5
193.12241	29.1
197.13188	1.1
205.12334	1.1
211.13290	16.3
218.22137	1.2
231.06499	1.2
233.15508	1.5
249.14832	3.3
267.15891	100.0
273.07758	1.9
273.14734	3.0
282.45123	1.0
285.16965	21.1
287.05637	1.4
323.08240	1.1
341.21136	1.1
349.21646	2.1
365.23193	1.4
367.22733	9.5
385.23767	11.4
403.24646	2.6
405.24194	1.1
415.24527	1.3
433.25806	10.2
441.26361	5.6
459.27380	52.5
477.28506	38.3
562.30817	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97324	2.0
54.36800	2.3
54.84718	2.3
55.01873	5.0
55.05513	19.5
57.03424	10.0
67.05497	27.5
69.03424	9.5
69.07053	18.6
70.06569	2.7
71.04967	3.8
71.60595	3.2
79.05495	26.4
81.03413	54.7
81.07058	28.2
83.04976	8.2
83.08622	18.1
85.02894	11.9
87.04424	2.5
91.05465	23.2
93.07041	17.2
95.04967	18.2
95.08598	13.4
97.02890	9.4
97.06522	3.8
97.10168	10.4
105.07040	20.0
105.39048	2.5
107.04948	16.9
107.08611	11.5
107.46178	2.2
109.02874	2.8
109.06486	3.9
109.10135	11.7
111.08074	8.5
114.54060	2.4
115.05459	3.0
117.07017	6.4
119.04925	4.9
119.08578	19.3
121.06488	7.1
121.10123	10.5
123.04449	5.8
123.08112	3.8
125.09622	9.9
127.03932	2.5
129.06998	9.2
131.08586	11.3
133.06482	7.1
133.10106	7.9
135.08093	5.0
136.00287	2.3
137.09663	2.6
139.03918	4.3
145.06538	5.6
145.10103	6.7
147.04417	4.6
147.08046	5.3
147.11646	7.0
149.09628	7.2
157.10146	11.5
159.11691	3.0
161.09776	2.6
163.03871	4.8
165.12758	2.4
171.11693	2.5
175.11169	7.7
189.11172	4.4
193.12228	19.7
198.87950	2.6
203.17917	3.5
211.13261	12.5
223.13208	13.2
227.12726	6.0
255.06389	2.8
267.15906	53.6
273.18588	8.9
285.16968	21.9
291.19519	68.6
365.23206	100.0
367.22559	6.8
433.26129	4.6
459.27457	28.9
477.28369	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	562.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01872	6.2
55.05500	7.3
56.62345	0.9
57.03432	7.8
61.02911	2.2
65.03912	1.3
67.05502	36.6
69.03413	3.5
69.07068	12.2
71.00496	2.4
71.04983	3.5
78.42471	1.0
79.05493	19.5
81.03397	5.1
81.07055	35.2
82.07379	1.2
83.04973	7.9
83.08607	4.1
85.02885	3.0
85.06526	2.8
89.06012	2.9
91.05477	30.9
93.07038	19.7
95.04961	9.7
95.08607	9.6
95.75306	1.1
97.02867	2.3
97.06525	3.2
97.10143	1.6
99.04427	2.0
100.51231	1.0
105.07028	30.6
107.04945	9.7
107.08586	24.4
107.12680	0.9
109.02865	0.9
109.06513	7.1
109.10149	35.7
111.08080	2.3
113.05987	2.8
117.07008	4.3
119.04897	1.1
119.08564	6.8
121.06508	3.1
121.10133	5.6
123.04415	2.1
123.08069	2.1
123.11701	8.0
125.09624	1.6
127.03909	1.3
127.07505	2.2
129.06966	1.8
131.08560	8.3
133.06511	5.1
133.08582	1.7
133.10124	51.5
135.08017	4.2
135.11671	3.6
137.09627	1.7
139.03870	1.2
139.07574	1.1
141.33849	1.2
143.08534	2.1
145.10100	3.9
147.08025	2.8
147.11676	3.2
149.09650	6.7
149.13254	1.6
151.11154	22.7
157.10135	2.3
159.08052	1.4
159.11653	1.5
161.09639	6.5
163.11188	1.2
167.03410	1.1
167.29187	1.1
169.12213	3.2
175.11111	2.4
177.09116	1.3
179.10654	1.0
189.12730	1.5
193.12323	1.2
203.10672	1.2
205.12233	2.0
207.13594	1.3
215.12744	2.8
219.00954	1.0
223.13219	1.1
227.17812	1.9
245.19067	2.9
253.14336	93.3
254.14696	1.2
255.17369	1.2
263.20007	4.7
269.13770	2.8
271.15378	15.1
273.18460	12.9
285.16940	2.0
286.17352	1.0
287.05576	1.7
289.21683	2.5
291.19476	15.3
292.34213	1.2
309.20529	1.9
347.22159	7.0
365.23215	100.0
366.23547	1.9
383.24231	1.1
439.95230	1.1
527.28375	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.2
54.03462	0.9
55.01859	0.5
55.04237	0.4
58.06583	0.6
67.05506	0.2
68.39217	0.2
68.99778	1.6
69.03384	0.2
70.06586	100.0
70.59761	0.5
71.01345	0.3
71.06918	0.3
79.05482	0.9
81.03390	0.4
81.07040	0.7
89.03903	1.2
91.05486	1.4
93.03387	0.2
93.07042	0.9
95.04958	0.9
102.46986	0.2
103.05470	1.4
105.07018	1.5
106.07996	0.2
107.04947	2.2
109.02885	0.3
109.75230	0.2
111.04419	0.3
115.05459	0.3
117.03370	3.7
119.04958	0.8
121.02856	0.2
121.06499	2.7
123.04420	6.8
127.03900	0.3
129.06947	0.3
131.04927	0.9
133.06474	2.3
134.03651	0.3
135.04407	2.9
137.02327	0.2
139.03862	0.4
145.02831	11.5
145.06508	0.3
147.04410	4.0
149.05972	7.2
151.03886	0.7
153.01851	0.2
154.71065	0.2
159.04401	0.7
161.05963	7.2
161.07236	0.4
163.03825	1.1
165.05479	1.3
171.04414	0.3
173.05984	0.5
175.03946	0.3
175.07538	1.7
177.05452	66.1
178.05656	0.4
187.03973	0.3
188.07083	0.3
189.05449	9.9
191.03371	0.3
201.05414	0.5
213.05531	0.2
219.08063	0.4
219.45610	0.3
231.06483	0.4
234.11220	5.6
237.09087	0.4
247.07552	0.4
265.08566	0.5
283.06100	0.3
283.09528	0.4
287.05405	0.2
293.07993	0.5
299.09390	0.3
311.09113	10.6
329.10196	0.8
368.14789	1.5
505.14847	4.1
562.20679	51.1
563.21259	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.5
51.22515	1.0
53.03938	5.4
55.01857	4.3
55.05259	1.7
55.05506	25.7
57.03434	5.7
57.07061	3.9
59.04999	1.3
65.03928	6.3
67.05499	94.6
69.03419	3.0
69.07066	21.7
70.05056	5.8
71.04988	40.3
71.08638	1.2
77.03913	1.4
79.05486	60.6
80.80452	1.2
81.03419	4.7
81.07049	100.0
83.04971	12.6
83.08606	15.4
85.06534	8.7
85.84332	1.0
85.90132	1.1
90.38323	1.1
91.05473	58.3
93.07038	70.9
95.04955	13.6
95.08598	52.2
95.09097	1.2
97.06529	9.4
97.10160	8.0
98.20838	1.3
99.08065	2.2
103.05464	1.3
105.07026	37.6
107.04960	3.5
107.08588	35.0
109.06540	6.2
109.10141	22.8
111.04437	2.2
111.08073	4.8
115.05446	2.7
117.07005	15.2
119.08574	23.8
121.06512	2.8
121.10138	26.8
123.08074	3.4
123.11690	15.3
125.09634	5.0
129.06990	4.6
131.08553	23.0
133.10121	34.2
135.08051	2.9
135.11670	21.2
137.09558	1.1
137.13237	1.5
141.07002	1.9
142.07809	1.6
143.08533	6.9
145.10112	17.5
147.11671	11.8
149.09634	3.1
149.13245	10.8
151.11191	9.5
153.12755	2.4
155.08508	2.5
157.10123	6.5
159.11688	15.8
161.09569	1.1
161.13246	8.2
163.11169	8.0
163.14793	1.4
169.10152	2.8
171.11673	5.0
173.11949	1.2
173.13226	7.2
175.14821	3.3
177.12738	3.1
181.10152	1.8
181.12218	2.3
183.11771	2.2
183.13789	9.7
185.13229	3.6
187.11092	1.4
187.13313	2.0
187.14844	4.1
189.11244	2.8
193.12138	1.1
195.13777	3.6
197.13274	2.3
199.14900	2.2
206.79626	1.1
227.12743	9.8
227.16322	2.1
253.14201	2.0
253.17992	1.8
257.17395	1.6
259.20486	3.0
261.22061	6.8
262.86960	1.3
277.21512	2.6
278.36740	1.2
283.15396	6.0
285.17154	1.6
289.21591	2.2
299.23578	2.4
303.23001	1.3
317.24777	2.5
327.23465	1.8
333.24240	1.2
335.25732	7.0
361.27335	1.5
433.31308	1.5
437.34018	2.6
451.31699	2.3
454.62717	1.2
455.34845	1.6
469.33118	2.9
487.33987	1.3
511.37369	1.8
517.38940	16.8
525.35907	3.4
525.52179	1.3
529.38831	36.0
543.36639	18.9
561.41583	68.2
562.41150	2.1
578.03973	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30575	0.9
51.02380	1.3
52.27771	0.9
53.03945	5.4
55.01876	2.6
55.05508	24.2
57.03441	4.3
57.07074	3.6
59.04998	1.8
65.03948	5.0
67.05503	80.7
69.03432	3.2
69.07070	19.8
70.04082	3.0
70.04501	2.7
71.04990	44.5
77.03941	1.1
79.05491	58.9
81.03436	2.3
81.07055	100.0
83.04977	9.1
83.08611	11.9
85.06544	7.3
91.05477	59.9
93.07040	68.5
95.04978	9.6
95.08601	38.1
96.05569	0.9
97.06514	9.5
97.07036	0.9
97.10171	4.6
99.08093	2.5
103.05469	1.5
105.04562	1.2
105.07027	36.3
107.04950	1.5
107.08591	35.3
109.06538	3.9
109.10152	13.7
111.08115	4.1
111.11672	0.8
117.07020	11.2
119.08585	20.7
121.06565	1.5
121.10145	21.2
123.08100	2.0
123.11698	14.5
123.12421	1.3
125.09692	3.0
129.07016	4.5
131.08565	19.0
133.10129	31.5
135.08078	2.2
135.11697	16.2
135.12683	1.1
137.09634	2.5
137.13304	1.4
137.85478	1.0
139.11176	1.7
141.06996	1.2
143.08609	3.3
145.10121	11.3
147.11676	9.9
147.12595	0.9
149.09660	2.0
149.13258	11.0
151.11165	9.6
155.08606	2.2
157.10196	4.3
159.11682	14.2
161.13216	7.0
163.11267	2.7
163.14890	1.8
165.12837	1.0
167.14380	1.1
169.10168	2.1
171.11748	4.3
173.13225	6.1
175.14917	2.6
177.12794	3.6
179.14406	1.7
183.11963	1.9
183.13893	11.6
185.13359	2.8
187.13347	2.3
187.14899	2.7
191.10698	1.4
195.12177	1.3
195.13773	5.7
197.13345	1.9
199.14903	1.8
201.16516	1.4
201.70328	1.0
213.14835	1.7
219.17557	1.1
225.16571	1.0
227.12805	4.7
227.16356	2.0
243.21155	1.7
253.18098	3.1
257.17545	2.0
259.20728	2.1
261.22202	4.8
262.38190	1.2
269.17554	1.3
273.22168	0.9
283.15576	2.7
283.19131	2.7
285.17120	2.9
287.23663	1.2
289.21808	1.9
299.23825	1.3
315.23233	1.3
317.24823	1.9
335.25867	4.7
349.27768	1.4
361.27408	2.2
363.25223	2.1
419.33850	1.8
437.34436	4.2
455.35474	3.5
494.61337	1.0
511.38126	3.1
517.38855	19.5
525.35455	1.2
529.38831	39.8
543.36298	5.9
561.41541	84.7
562.41956	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	561.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.2
53.03947	4.8
55.01872	4.4
55.04552	0.9
55.05510	24.7
57.03438	4.8
57.07070	3.0
59.05000	1.8
64.91881	1.0
65.03947	3.6
67.05502	82.2
69.03435	2.6
69.07068	19.1
71.04990	46.0
73.06562	1.3
79.05489	57.0
81.03423	3.6
81.07054	100.0
83.04975	11.7
83.08614	12.8
85.02894	1.2
85.06538	7.8
88.82145	1.1
91.05476	58.9
93.07041	66.7
95.04965	12.8
95.05458	1.2
95.08606	38.5
97.06538	9.4
97.10159	5.0
98.21584	2.6
99.08111	2.7
105.07028	35.3
107.04993	2.2
107.08591	36.1
109.06544	4.3
109.10155	18.6
111.04460	1.7
111.08112	3.9
115.05431	1.2
115.72745	1.1
117.07011	11.1
119.08572	16.5
119.09330	1.4
121.06487	1.3
121.10143	25.0
123.08076	1.4
123.11708	17.4
125.09648	2.4
129.07047	4.5
131.08571	17.6
131.09482	1.1
133.10120	30.9
133.11034	1.8
135.08102	2.8
135.11685	15.9
137.09612	1.4
137.13364	1.0
139.11142	1.2
143.08641	3.5
145.10136	9.6
147.11687	9.3
149.09674	2.8
149.13261	9.6
151.11189	13.1
152.47522	0.9
157.10162	4.5
159.11688	14.0
161.13257	5.2
163.10020	0.9
163.11313	3.4
163.14861	1.5
165.12787	1.3
169.10193	2.1
171.11780	2.3
173.13252	5.2
175.14951	1.1
177.12758	4.7
183.12086	1.5
183.13786	14.9
185.13289	2.3
187.13371	2.7
187.14902	2.2
187.43900	1.3
193.12285	1.5
195.13779	6.7
197.13319	1.2
211.13234	1.0
227.12889	3.0
227.16335	1.3
229.72855	1.2
243.21100	1.4
257.17410	1.1
258.36963	1.0
259.20779	2.3
261.22192	6.0
267.15958	1.6
269.17621	3.6
277.21765	2.6
283.15894	1.8
283.19104	2.4
285.17157	4.3
287.23560	1.2
299.23843	1.0
303.57513	1.0
315.23245	1.2
317.25055	2.0
327.23456	1.4
335.25922	4.1
361.27466	2.2
363.25580	3.9
419.34076	1.2
437.34613	1.3
470.79669	1.2
487.34567	1.2
517.38892	27.6
529.38739	14.6
530.64337	1.1
543.36835	12.1
561.41589	94.3
562.42212	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01626	0.9
55.01864	6.1
55.05509	27.8
57.03428	6.6
57.07067	2.2
57.88875	0.8
59.04984	1.6
65.03950	2.6
67.05502	47.7
69.03417	2.0
69.06712	1.3
69.07063	14.3
71.05003	5.1
71.34313	1.8
77.03958	0.9
79.05490	30.6
81.03421	7.6
81.07055	41.9
83.01332	1.5
83.04980	11.6
83.08613	15.7
85.02868	0.9
85.06533	3.2
87.08142	0.8
91.05481	26.0
93.07038	35.8
93.07626	1.7
95.04977	11.5
95.08599	28.2
97.06535	4.1
97.10166	22.5
99.04495	1.2
99.08087	2.6
105.07028	23.7
107.04972	4.2
107.08588	24.9
109.06520	4.8
109.10146	20.1
111.04446	6.3
111.08089	4.7
115.05439	1.2
117.07004	12.0
119.08578	21.1
121.06506	4.1
121.10136	15.7
123.08075	3.7
123.11684	5.8
125.09606	15.9
128.06203	1.8
129.06998	8.2
131.08557	18.3
133.06502	1.8
133.10121	16.5
135.08026	4.5
135.11685	13.2
136.10970	1.0
137.09578	1.3
137.13219	1.4
142.07774	1.1
143.08568	8.1
145.06429	2.0
145.10118	19.0
147.07986	1.9
147.11658	10.9
149.09602	3.9
149.13249	4.5
150.94298	1.0
153.09126	1.8
153.12761	5.5
155.08519	4.0
157.10129	7.0
159.08090	1.4
159.11681	10.6
161.09631	1.8
161.12088	0.9
161.13228	5.3
163.11198	10.0
163.14856	2.3
167.08679	1.1
169.10098	5.6
171.10281	1.6
171.11667	8.2
173.09628	2.2
173.11871	1.9
173.13217	8.7
175.11191	3.3
175.14825	1.8
177.12801	1.2
181.10106	2.9
181.12271	5.1
183.11694	4.3
185.09581	1.2
185.13229	5.1
187.11176	1.3
187.13304	1.3
187.14734	5.2
189.11212	13.7
189.12715	1.9
189.16394	1.6
191.10712	3.7
193.12297	3.7
195.11700	2.1
197.13257	3.5
199.14917	3.4
201.16394	2.9
203.14354	1.4
209.11737	2.7
209.13420	2.1
211.13252	2.4
211.14935	1.7
213.16341	1.2
221.13258	0.9
223.14763	1.5
225.16412	1.1
227.12770	27.0
227.17957	1.4
229.14224	1.2
241.19530	1.7
243.15997	1.3
243.21078	2.3
245.13950	2.0
247.17072	1.0
259.20547	4.5
261.22137	8.6
267.15955	3.5
271.24384	1.1
273.18976	1.1
273.22128	2.1
275.20078	1.3
277.21606	3.0
279.23306	1.6
281.22617	1.2
283.15378	13.7
283.20450	1.5
285.16959	1.2
297.22134	2.1
299.20422	1.8
299.23672	11.0
301.21640	4.1
315.23355	1.5
317.24704	8.5
319.22467	1.1
333.24319	4.1
335.25906	8.8
339.23099	1.5
343.22806	1.1
345.24094	1.1
353.25552	0.9
357.24380	1.8
359.65436	1.1
373.27298	1.0
405.31143	1.1
421.25616	1.2
423.32678	1.8
433.31015	6.8
441.33530	1.4
451.32013	11.0
469.33151	11.6
487.34402	9.4
507.34454	1.6
515.37262	3.5
517.35242	1.5
525.35760	20.1
543.36780	100.0
561.37854	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82565	1.2
53.03937	4.3
55.01873	8.7
55.05262	2.0
55.05507	31.4
55.18807	1.4
55.55446	1.2
57.03439	7.1
57.07073	2.3
58.73109	1.2
63.52898	1.6
65.03913	2.9
67.05500	50.0
69.03426	3.1
69.07062	11.1
70.20582	2.8
70.20950	5.8
71.04984	4.2
73.85495	1.2
79.05489	37.5
81.03405	9.1
81.07053	52.9
83.04988	12.1
83.08614	17.6
84.75262	1.2
85.02899	2.4
85.06540	2.4
91.05477	30.7
93.07040	38.6
95.04960	12.4
95.08602	35.1
97.06518	4.6
97.10153	21.4
99.08064	2.1
105.07033	28.5
107.04957	6.1
107.08587	25.0
109.06526	4.6
109.10150	18.5
111.04433	5.4
111.08059	5.2
115.55735	1.5
117.07012	13.5
119.08577	24.7
121.06477	2.1
121.10134	16.8
123.08048	4.9
123.11703	5.4
125.09623	18.3
128.06189	1.4
129.06966	9.3
131.08569	22.8
133.06483	1.5
133.10117	17.0
135.08072	4.3
135.11676	14.0
141.06950	3.1
142.07770	2.7
143.08543	9.2
145.06494	1.9
145.10095	21.3
147.08026	2.4
147.11679	14.6
149.09535	2.1
149.13257	4.9
151.11214	2.2
153.12712	5.2
155.08560	3.6
157.10123	10.1
157.21802	1.4
159.08063	1.8
159.11668	11.5
161.13240	5.5
163.11194	11.4
163.14874	1.9
169.10132	4.6
171.11694	7.9
173.09598	2.0
173.11830	2.9
173.13181	10.6
175.11142	2.7
175.14807	3.0
181.10077	3.3
181.12256	4.5
183.11681	5.1
185.13206	7.3
187.11192	2.0
187.14793	5.4
189.11192	11.0
189.12759	1.8
191.10669	4.2
193.12256	2.9
195.11746	3.2
195.13762	1.4
197.13245	3.5
199.14780	4.6
201.16449	1.9
209.11618	1.8
209.13373	2.4
211.13185	2.0
213.16389	1.6
223.15114	1.6
227.12761	23.6
241.19472	2.9
243.21268	1.6
245.13976	2.0
259.20590	4.2
261.22131	9.2
265.85443	1.4
267.15802	1.9
283.15308	11.0
283.20627	2.6
299.23715	12.5
301.21497	4.2
315.23364	2.4
317.24762	8.6
333.24368	5.0
335.25766	8.0
415.30048	2.2
433.30951	5.7
451.32190	10.3
469.33057	10.2
487.33871	7.3
515.37305	4.0
517.35651	1.8
525.35815	18.3
543.36780	100.0
561.37787	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.0
55.01862	7.6
55.05508	29.2
57.03421	5.7
57.07069	1.9
59.04985	1.7
63.09921	1.4
67.05500	56.1
69.03400	1.8
69.07063	18.1
70.66680	4.6
71.04976	6.4
79.05485	35.4
81.03424	8.5
81.07050	51.5
83.04974	11.1
83.08609	17.5
85.02881	1.9
85.06538	3.3
91.05476	32.0
93.07035	39.7
95.04957	11.6
95.08600	31.5
97.02840	1.8
97.06519	6.9
97.10165	20.8
105.07020	28.0
107.04944	3.0
107.08586	28.0
109.06489	5.1
109.10154	21.0
111.04431	5.0
111.08057	5.9
117.07013	14.9
119.08566	21.3
121.06485	2.9
121.10123	20.2
123.08052	3.4
123.11693	8.0
125.09626	17.3
129.06995	7.9
130.07773	1.7
131.08560	22.0
133.06502	2.3
133.10109	18.6
135.08034	5.0
135.11687	14.4
137.09636	2.1
137.13269	1.9
141.06984	3.2
142.07726	1.5
143.08565	9.7
143.88721	1.5
145.10118	18.6
147.08040	2.6
147.11685	11.0
149.09592	4.3
149.13263	4.7
151.11243	1.9
152.35194	1.3
153.09093	3.1
153.12743	5.4
155.08524	6.4
157.10138	9.9
159.08110	1.8
159.11676	15.2
161.09605	1.7
161.13260	6.2
163.11165	12.8
163.14746	1.9
169.10126	5.1
171.10274	2.2
171.11679	7.3
173.09630	3.7
173.13217	11.4
175.11171	2.3
175.14856	1.9
177.12817	2.2
179.08548	1.8
181.10150	2.4
181.12210	5.6
183.11694	3.6
185.13249	5.9
187.14851	4.1
189.11194	14.1
189.12715	2.2
191.10635	3.8
193.12242	3.3
193.39354	1.4
195.11742	2.9
197.13284	4.4
199.14804	4.3
201.16393	2.1
209.11723	5.6
209.13420	1.6
211.13239	3.7
211.14970	1.8
213.16441	2.6
227.12753	34.7
229.14276	1.5
241.19423	2.4
243.21051	2.4
245.13832	2.4
259.20615	4.2
261.21994	7.5
267.15936	2.0
275.19818	2.3
277.21634	2.5
279.23431	1.8
283.15408	14.6
283.20462	2.4
297.22406	2.0
299.23608	11.5
301.21548	4.6
315.23260	2.7
317.24728	6.5
333.24319	2.9
335.25879	6.4
373.27216	2.3
415.29944	2.8
423.32254	1.5
433.31104	5.7
449.87543	1.4
451.31976	11.3
469.33090	13.9
487.34277	6.8
515.37238	5.3
517.36023	1.4
525.35516	16.8
538.69672	1.4
543.36792	100.0
561.37842	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	561.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
53.85887	2.1
55.01863	7.8
55.05511	33.3
57.03443	10.0
57.07064	3.4
59.04995	2.0
65.03943	1.8
67.05503	62.0
69.03431	3.2
69.07071	19.5
69.54714	17.9
71.04980	6.7
78.19180	1.8
79.05494	41.7
81.03416	9.5
81.07055	56.9
83.04975	12.8
83.08617	21.3
85.06535	4.9
90.24084	2.0
91.05479	37.6
93.07041	49.6
95.04963	16.6
95.08603	42.3
97.06543	6.3
97.10166	21.7
105.07027	34.9
107.04996	4.8
107.08591	35.6
109.06538	6.2
109.10154	23.6
111.04438	6.5
111.08109	5.9
117.07017	21.7
119.08571	30.5
121.06509	2.8
121.10130	21.2
123.08056	4.5
123.11720	6.5
125.09648	15.3
128.06178	2.1
129.06987	8.7
131.08563	27.5
133.10130	22.5
135.08064	2.9
135.11676	19.0
137.13280	3.1
141.06982	3.8
142.07834	3.7
143.08598	11.9
144.02475	2.3
145.10120	24.6
147.11716	15.4
149.09650	4.5
149.13271	6.3
151.11128	2.3
153.09149	2.6
153.12753	6.9
155.08580	4.7
157.10060	10.6
159.11719	17.2
161.13298	8.9
163.11211	8.9
163.14900	2.2
169.10138	5.9
171.11676	6.8
173.09637	3.2
173.12018	2.7
173.13249	13.5
175.11200	2.4
175.14743	2.8
181.12273	4.5
183.11717	5.6
185.13269	5.8
187.14813	4.6
189.11208	7.6
189.12749	3.1
191.10652	4.9
193.12297	2.9
195.11725	3.1
197.13322	4.2
207.11852	2.1
209.11742	5.7
227.12711	22.0
229.14255	3.2
245.13794	2.8
259.20599	5.6
261.22211	7.3
267.15872	4.2
273.22211	2.2
275.20184	2.7
277.21707	3.4
283.15329	13.2
299.23703	15.1
301.21570	3.9
315.23178	4.0
317.24857	11.8
333.24319	4.0
335.25809	8.2
433.30954	6.7
451.32162	11.4
469.33191	9.1
487.34354	9.0
515.37469	4.3
525.35760	22.0
543.36780	100.0
561.37866	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94219	1.1
53.03932	3.2
55.01866	3.4
55.05260	1.3
55.05507	16.8
57.03429	6.6
57.07066	1.6
63.82228	0.9
65.03926	2.8
67.05497	46.1
69.03407	1.5
69.07067	10.6
70.19954	2.3
70.20361	3.4
71.04982	3.8
79.05489	38.7
81.03413	3.4
81.07050	54.8
83.04970	5.3
83.08611	10.2
85.06535	1.2
87.04427	1.2
91.05473	19.5
93.07040	50.8
95.04968	8.9
95.08597	57.9
97.02874	2.8
97.06508	4.9
97.10155	3.8
98.21420	1.5
99.04455	3.6
105.07022	18.0
105.14048	1.0
107.04924	6.3
107.08589	40.9
109.06484	3.5
109.10148	18.6
111.04465	1.8
111.08073	1.7
113.06016	1.1
117.07014	13.9
117.58867	0.9
119.08566	17.2
121.06521	6.9
121.10138	25.8
123.08049	1.8
123.11713	5.8
125.05980	2.7
125.09634	1.6
129.06979	2.0
130.07739	1.5
131.08557	9.0
131.69310	1.2
133.10110	8.4
135.08057	2.5
135.11681	52.0
137.13281	1.8
139.07562	1.1
142.99774	1.2
145.10114	29.3
147.11656	5.6
149.13239	4.8
153.12752	1.7
155.08536	1.2
159.11708	6.6
161.13254	3.6
163.11168	51.9
163.14819	2.4
171.11635	1.1
173.13257	5.0
175.14799	1.0
177.16389	1.4
177.96407	1.0
181.12195	10.4
182.12654	1.0
187.14769	2.8
199.14761	1.1
209.11772	1.7
227.12761	100.0
242.76833	1.1
243.21091	5.1
259.20569	1.4
261.22107	20.8
277.21637	1.4
279.23141	1.5
283.15378	56.1
299.23688	2.6
317.24774	6.2
335.25763	69.0
464.40179	1.1
469.33102	2.6
525.35522	2.5
543.36774	46.2
543.65430	1.1
561.38080	10.7
584.29877	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14095	1.7
53.03933	4.9
55.01858	3.8
55.05509	23.0
57.03437	12.4
57.07069	3.5
63.10421	1.4
65.03936	4.0
67.05502	74.4
69.03434	2.2
69.07066	16.6
70.28555	5.9
70.28948	2.8
70.66800	1.5
71.04971	6.7
71.08630	3.3
79.05492	57.6
81.03407	4.5
81.07056	66.0
83.04960	6.3
83.08611	12.3
85.06538	3.4
91.05478	29.6
93.07040	74.9
95.04975	12.3
95.08604	67.3
97.02876	3.9
97.06514	6.5
97.10157	4.0
98.20881	1.5
99.04458	3.2
105.07021	23.2
107.04944	8.2
107.08593	47.6
109.06491	4.4
109.10155	19.1
111.04464	1.9
111.08067	3.1
115.92825	1.5
117.07025	15.1
119.08561	19.5
121.06488	6.5
121.10135	25.6
123.08023	2.4
123.11742	8.1
125.05936	2.0
125.09630	1.9
129.07045	3.9
130.07724	1.9
131.08559	13.9
133.10126	14.8
135.08090	2.4
135.11679	57.0
135.12708	3.1
137.09587	2.1
137.13181	2.9
139.07507	2.3
139.11182	2.1
143.08546	2.0
145.10120	35.3
147.11685	6.3
149.13280	7.8
151.11169	1.8
157.10051	1.6
159.11703	7.0
161.13254	3.6
163.11177	53.4
163.14821	3.3
173.13245	4.4
175.14827	2.6
181.12216	12.1
187.14896	3.0
188.11772	1.5
198.91911	1.5
227.12772	100.0
243.21095	6.5
261.22122	24.7
279.23279	2.2
283.15393	46.2
317.24637	11.4
335.25793	88.9
336.26221	2.8
376.18393	1.7
430.64365	1.6
451.32184	2.3
469.32941	1.9
529.38568	2.1
543.36780	50.1
544.37000	2.7
561.37952	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	561.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.01845	6.4
55.05506	34.3
57.03421	13.1
57.07050	4.7
65.03918	5.6
67.05170	4.4
67.05499	57.4
69.03406	5.7
69.07058	20.7
71.04989	8.7
71.61128	5.8
74.49936	2.8
79.05484	55.0
81.03411	35.9
81.06575	4.7
81.07046	68.4
82.13918	2.8
83.04965	12.6
83.08604	26.3
85.02885	11.1
91.05466	57.1
91.88054	2.8
93.07034	52.9
95.04961	21.3
95.08606	45.3
97.06516	12.6
97.10152	10.9
105.07024	48.5
107.04947	17.3
107.08585	32.6
109.06512	9.0
109.10160	31.6
111.04467	3.3
111.08061	7.8
112.87788	2.6
115.05442	4.4
117.06996	24.0
119.04951	3.9
119.08572	44.1
121.06428	3.2
121.10123	18.8
123.04401	13.4
123.08058	6.3
123.11689	4.7
123.22202	3.6
125.09577	11.0
128.06238	4.9
129.07001	19.4
131.08562	37.3
133.10120	34.5
135.08043	4.4
135.11676	13.9
137.09636	3.8
141.06952	7.4
142.07730	5.2
143.08549	19.6
145.10130	24.0
147.08052	4.9
147.11685	34.0
149.09615	7.1
149.13237	8.3
155.08525	10.2
157.10107	21.9
159.11653	19.9
161.13242	20.1
163.03902	4.6
165.12733	2.9
167.08522	4.3
169.10106	10.3
171.11610	16.3
172.59328	2.8
173.13246	10.5
175.11147	7.9
175.14719	6.4
177.12723	2.8
181.10115	5.2
183.11624	7.6
185.13258	12.1
187.14754	5.6
193.12216	20.6
195.11723	4.2
197.13168	6.8
199.14833	8.1
203.06952	3.2
209.13281	4.8
211.13220	36.6
211.14908	6.5
213.05777	3.2
223.14703	4.8
227.12718	6.6
229.14308	6.9
241.19473	12.2
259.20572	32.4
267.15942	5.8
269.17578	7.1
275.20126	8.7
277.21683	3.5
283.20474	3.4
285.16937	20.7
287.05576	5.5
297.22134	4.2
315.23166	10.7
317.24722	3.3
326.83105	3.0
333.24329	21.6
371.25854	4.2
389.26556	3.9
415.30374	4.1
425.08908	3.5
433.30923	11.3
451.31796	14.6
469.32843	8.7
487.34283	5.0
489.33273	3.6
515.37030	4.4
525.35858	29.6
534.42914	3.4
543.36798	100.0
561.29938	3.1
561.37799	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46891	1.2
51.83662	1.0
53.03940	2.6
55.01859	2.2
55.05503	8.1
57.03427	4.0
57.07045	1.7
63.04665	1.2
63.88565	1.1
65.03932	1.8
67.05503	36.8
69.07059	16.2
71.04984	3.3
71.59937	1.8
79.05490	23.7
81.03419	3.0
81.07053	52.8
82.07402	1.6
83.04990	6.9
83.08610	8.9
85.06535	2.3
91.05470	17.7
93.07037	36.7
95.04945	6.3
95.08607	13.7
97.06516	11.4
97.10153	2.3
98.98469	2.1
99.08101	1.8
99.64001	1.1
105.07022	9.9
106.07378	1.6
107.04948	3.9
107.08588	23.0
109.06542	2.1
109.10133	2.9
111.08059	4.3
117.06997	7.6
119.04988	2.2
119.08572	6.3
121.06490	1.3
121.10135	10.3
123.04392	5.9
123.11697	2.2
129.06953	2.2
131.08556	8.7
132.04950	1.4
133.10097	6.5
135.04433	1.3
135.11682	4.2
139.11227	1.4
143.08571	1.8
145.10165	3.1
147.11620	2.7
149.09561	1.6
149.13257	15.4
157.10098	2.1
159.11716	9.2
171.11691	1.9
177.12720	3.1
195.13792	8.8
211.13290	1.2
213.14847	1.3
230.34813	1.2
231.06407	1.7
245.04340	1.9
257.19144	1.3
258.80374	1.2
269.17529	6.8
271.06000	1.5
275.19992	5.5
337.94803	1.4
349.14108	4.0
349.23483	1.4
463.30539	100.0
464.30725	3.5
525.35199	1.4
532.87231	1.6
543.36761	6.5
543.96466	1.6
561.38086	7.9
561.56586	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05813	0.5
57.07066	0.2
58.06583	0.6
60.04531	0.5
64.71087	0.2
67.05494	0.9
69.07069	11.3
70.06581	2.9
72.04503	0.3
75.86570	0.2
80.97478	0.3
83.36533	0.3
84.08144	8.6
85.04024	0.3
85.08926	0.8
86.09706	100.0
87.10032	0.3
91.05479	0.4
95.04965	1.8
95.08646	0.2
96.08113	0.5
105.07021	0.4
107.04971	0.7
112.07632	2.1
113.10772	0.8
117.07011	0.3
119.04958	1.5
123.04437	1.2
124.07614	0.3
128.10715	17.6
133.10213	0.3
135.04453	0.4
136.07576	2.6
136.53806	0.3
137.02377	0.4
138.09193	0.3
140.07028	0.3
141.10248	1.5
141.11169	0.3
145.02858	0.3
146.05969	0.6
147.04401	1.3
152.14395	0.6
153.01830	0.6
154.02205	0.3
154.15961	0.4
156.10190	3.3
160.07625	1.7
161.09676	0.6
165.05489	1.2
171.04410	0.4
177.05574	0.3
177.09180	0.3
180.13799	1.7
180.61795	0.3
182.08165	2.1
185.09657	0.6
189.05510	0.7
189.09105	7.5
197.16505	3.0
202.12273	10.2
202.14102	0.5
206.08109	0.5
208.13329	1.2
213.09129	0.9
219.15027	0.5
220.06155	0.3
220.13335	0.5
225.16002	6.5
225.19542	0.4
230.11789	0.6
231.10158	8.8
247.14594	0.4
248.12842	12.5
258.11371	0.5
265.15472	6.9
267.17044	12.9
275.14020	1.1
276.12390	0.7
293.14917	2.1
295.16507	8.4
321.14496	0.5
333.14569	1.0
351.22040	0.3
352.25909	1.8
360.22903	0.3
361.21225	7.4
361.25531	0.5
378.23840	3.8
380.25491	3.1
388.22342	1.1
389.20715	1.3
406.23376	28.0
407.23773	0.5
434.23187	0.9
448.24417	3.2
502.28973	0.3
533.33453	0.7
538.78052	0.3
543.31824	1.0
561.32941	21.8
562.33984	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01863	2.0
65.03931	5.0
67.05516	1.8
68.71146	1.1
68.99780	12.8
71.60068	1.6
77.03920	1.8
79.05477	2.6
81.03403	3.5
85.02880	2.0
91.05486	8.2
93.03402	2.5
95.04961	18.0
99.18580	1.1
103.05466	2.8
107.04950	100.0
109.02864	1.5
111.00800	12.5
111.04453	12.1
115.05431	1.2
117.03339	1.6
119.04939	43.3
121.02859	7.4
121.06449	1.2
123.04424	95.3
127.03918	25.0
127.07546	2.1
131.04924	5.8
133.06479	5.3
135.04407	43.7
137.02319	5.8
137.06000	1.6
138.80678	1.1
139.03894	32.8
145.06459	4.8
147.04401	29.3
149.02309	7.8
149.05959	3.4
151.03896	22.3
153.01834	4.5
157.06471	4.8
159.04422	2.9
161.06027	6.8
163.03894	46.8
167.03412	5.8
169.06511	2.7
171.04440	3.0
173.02353	2.5
173.05974	4.2
175.03903	8.5
177.05434	5.6
179.03374	10.0
181.06522	1.4
183.04469	2.0
183.06543	2.9
185.06001	4.0
187.03903	5.0
187.07509	2.0
189.05475	3.8
191.03398	6.6
193.04924	4.2
197.05991	3.1
199.07520	1.7
201.05453	8.6
203.03397	11.6
203.07080	1.9
207.13818	1.5
213.05473	8.1
215.03410	2.7
215.07011	3.9
217.04904	2.4
223.02301	1.4
223.07611	1.3
225.05447	2.9
227.07072	3.3
229.04950	10.2
230.05750	1.5
231.06488	44.6
233.04460	1.7
237.05508	1.5
239.06999	2.8
241.04994	4.2
242.05605	2.2
243.06468	6.5
244.07101	2.8
245.04433	25.4
245.08081	3.9
247.06017	33.2
253.04991	1.8
255.06502	13.9
257.04468	13.8
257.08035	4.1
258.05225	5.4
259.06027	4.9
260.06946	3.4
263.05511	2.5
265.04880	1.5
267.06555	4.4
269.04462	7.4
269.07874	2.1
271.06009	15.6
273.04507	2.3
273.07544	19.6
274.04761	2.3
275.05460	8.4
279.06470	2.0
283.06006	3.9
285.04214	2.3
285.07559	10.0
287.05493	56.4
289.06989	7.8
295.06049	2.9
297.07538	4.5
299.05505	10.2
301.07068	4.8
303.04990	2.5
307.05957	2.3
311.05557	4.0
313.07025	2.9
315.05115	1.7
321.07477	1.3
323.05585	2.5
327.05032	1.6
335.09280	1.3
341.06796	1.7
345.07574	1.6
347.09073	1.5
363.08569	11.7
365.10165	3.5
379.07932	5.6
381.09738	3.2
389.10364	2.8
391.08096	14.8
393.09671	25.4
403.08124	3.2
405.09680	3.5
407.07352	14.5
409.09164	18.4
417.09583	5.4
419.07974	1.5
421.09045	4.9
425.08554	6.6
435.10834	5.2
437.08606	3.5
449.08676	1.9
525.11926	2.4
561.19617	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	560.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
53.11072	0.7
55.05510	10.6
56.96533	0.7
57.07067	2.4
59.04978	0.8
59.86539	0.7
67.05499	8.3
69.03428	1.4
69.07062	100.0
70.06583	3.0
70.07393	0.8
71.04993	1.7
71.08648	0.8
71.61287	0.9
73.02914	1.2
73.06538	4.2
79.05487	1.8
79.34367	0.7
81.03429	1.5
81.07050	12.7
81.07515	1.1
83.04967	1.1
83.08618	2.4
85.02906	2.2
85.06517	0.9
87.04471	8.5
89.06023	89.3
91.05463	1.4
93.07078	1.4
95.04981	2.0
95.08595	10.5
97.02901	1.2
99.08081	0.8
100.11251	2.1
103.82994	0.8
105.07072	1.0
107.04957	4.7
107.07047	4.3
107.08601	2.0
109.10177	4.0
111.04428	0.8
111.11707	38.5
116.98676	0.7
117.09137	3.6
119.04980	1.3
119.08648	0.8
120.55000	0.7
121.10191	1.2
123.04436	3.4
123.05225	0.7
127.03929	1.8
130.08647	3.4
131.07060	3.2
133.08589	56.8
135.04420	1.5
135.08113	0.9
135.11714	1.4
137.13217	4.6
139.03967	1.6
141.11591	0.7
143.08714	0.8
146.12096	0.7
147.04440	1.9
147.11815	0.8
149.02373	0.8
151.09653	1.5
153.01813	7.5
155.14357	2.4
163.03935	2.5
167.07053	0.7
171.02901	0.8
175.09727	1.8
177.05496	0.7
177.11211	26.0
182.15402	0.7
193.15923	0.8
195.12294	1.0
199.16962	4.4
203.03566	0.7
210.14929	1.2
211.16916	1.7
213.05684	0.7
220.32457	0.7
221.13840	6.7
223.15457	1.0
231.06635	1.2
239.14998	2.6
243.19553	9.9
263.05630	0.8
265.16568	1.0
273.07516	0.8
283.17572	3.4
287.05621	1.4
315.07166	1.9
327.20233	2.8
371.22928	2.0
393.09714	0.9
415.25385	9.8
481.33597	2.0
520.29199	0.8
525.36304	28.6
543.37878	1.4
560.29102	2.0
560.40253	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	560.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	0.5
53.03947	0.4
55.05506	9.9
57.07079	1.7
57.14803	0.5
59.04992	0.7
66.13334	0.4
67.05498	6.7
69.07063	100.0
70.06579	0.8
70.07386	0.6
71.04990	1.1
71.08630	0.7
73.02941	0.5
73.06557	4.5
79.05492	1.3
81.07049	13.3
83.08614	2.0
83.58766	0.5
85.02927	1.7
85.06548	1.0
87.04459	9.0
89.06024	91.1
91.05450	0.6
91.07601	0.7
91.73550	0.5
93.07036	1.6
95.04965	0.7
95.08599	10.7
97.02905	0.6
98.20711	1.3
99.08092	0.7
107.04967	2.8
107.07061	5.4
107.08590	0.8
109.10143	2.8
111.11712	38.4
117.09132	4.4
119.04948	0.8
119.08547	0.6
121.03007	0.5
123.04443	2.8
124.63905	0.6
127.03893	0.8
130.08638	2.6
131.07025	2.8
133.08595	61.4
135.04433	1.1
135.11693	1.2
137.13264	4.8
139.03928	1.0
147.04338	1.0
151.09624	1.4
153.01790	1.9
155.14284	1.3
161.11765	1.1
163.03906	1.7
167.07036	0.5
175.09641	1.4
177.11212	29.5
179.12727	0.6
195.12262	1.3
199.16927	5.0
217.17892	0.8
221.13776	6.3
231.06407	0.9
239.14836	3.1
243.19537	11.1
245.04488	0.6
247.06021	1.0
255.06598	0.5
265.16257	1.4
267.18002	0.8
271.05780	0.9
283.17477	4.8
287.05524	0.7
287.22079	0.7
309.19208	0.8
327.20227	2.9
349.25699	1.0
371.22461	2.3
397.24045	0.6
415.25339	10.2
437.31326	1.3
481.33273	2.2
525.36340	30.3
525.90802	0.6
543.36896	1.7
560.30231	2.1
560.39465	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	559.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20741	2.3
53.03931	10.1
55.05509	28.3
57.03428	10.0
57.07059	2.7
66.28304	2.8
67.05503	97.0
67.91160	3.3
69.07063	19.3
71.04990	2.5
79.05488	91.6
81.03423	8.1
81.07053	84.8
83.04990	14.1
83.08594	9.8
85.06548	3.3
89.63027	2.5
91.05482	68.2
93.07037	90.3
95.04957	23.8
95.08606	57.4
97.06515	3.1
97.10162	5.1
98.21536	4.7
105.07019	46.9
107.04929	7.9
107.08593	38.6
109.06490	5.6
109.10149	14.2
117.06986	16.0
119.08571	30.7
121.06514	4.2
121.10145	21.0
123.08105	4.0
129.06992	12.3
131.08572	13.2
131.30452	2.8
133.10182	18.6
135.11725	14.5
143.08548	15.8
145.10095	17.9
147.11668	39.9
148.34195	3.0
149.13248	7.1
159.11710	8.4
161.09695	3.4
161.13248	15.8
171.11702	22.6
173.13260	6.3
177.12643	3.4
183.11649	2.7
185.13095	4.0
189.12703	7.4
190.18715	2.8
207.13736	20.4
261.22174	11.9
279.15775	3.9
281.17462	37.0
335.25818	68.1
456.40375	2.9
541.38953	100.0
559.40497	15.8
566.48535	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	559.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.4
55.05512	28.8
55.57687	2.2
57.03445	13.7
57.07070	2.3
65.03937	4.7
67.05505	87.0
69.03461	2.6
69.07065	21.5
69.36523	18.3
71.04987	2.8
79.05492	92.0
81.03420	9.8
81.07057	86.1
83.04979	16.0
83.08614	12.3
85.06548	3.1
91.05481	74.5
93.07043	100.0
95.04967	25.9
95.08604	57.0
97.06539	6.4
97.10167	6.9
99.08051	2.3
105.04539	2.8
105.07030	55.3
107.04964	8.9
107.08595	31.1
109.06528	7.9
109.10166	18.1
111.08096	4.0
115.05460	3.0
117.07037	15.1
119.08585	30.2
121.06525	3.7
121.10165	15.7
121.29240	2.4
123.08084	6.0
123.11700	3.3
128.06245	4.1
129.06999	18.7
131.08560	16.5
133.10124	15.6
135.11716	13.9
143.08626	10.2
145.10103	19.7
147.11688	37.6
149.13275	6.1
157.10147	3.8
159.11717	7.3
161.09639	4.7
161.13290	14.9
163.14790	2.6
163.16127	2.2
167.93591	2.0
171.11707	24.0
173.13309	5.4
179.14334	2.4
183.11699	2.3
187.14818	2.6
189.12753	14.0
193.12100	2.5
207.13799	33.5
209.13411	2.0
237.16261	2.1
261.22189	9.1
277.09607	2.3
279.15967	4.4
281.17468	60.8
308.15939	2.4
317.24738	3.6
328.43320	2.3
335.25842	51.5
396.29449	2.2
449.34052	3.7
467.35223	2.7
509.46045	2.1
541.38965	81.5
542.39471	2.9
559.40179	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	559.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68277	1.8
53.03954	9.7
55.01859	4.7
55.05503	27.2
57.03444	9.9
57.07078	3.5
65.03932	5.7
67.05499	88.6
69.07064	20.2
71.04963	3.5
72.43114	2.6
79.05488	98.1
81.03401	7.7
81.07053	84.1
83.04988	14.3
83.08617	11.7
85.06516	2.5
91.05476	69.7
93.07038	100.0
93.23689	2.0
95.04967	29.0
95.08598	53.6
97.06497	3.2
97.10166	3.9
105.04505	2.8
105.07026	48.5
107.04951	6.8
107.08589	29.6
109.06502	6.4
109.10157	15.6
111.08028	2.7
117.07041	13.7
119.08572	32.1
121.06494	4.5
121.10132	16.3
123.08054	4.8
123.11686	3.9
128.06194	3.6
129.06972	15.9
131.08586	12.5
133.10120	18.4
135.11676	8.9
138.99289	2.1
143.08611	9.6
145.06607	2.2
145.10109	18.8
147.11684	37.1
149.13226	3.6
157.10033	2.5
159.11748	4.7
161.09644	4.5
161.13220	13.3
169.10141	2.3
171.11676	19.5
173.13272	4.0
175.14781	2.2
189.12762	10.2
199.14787	2.0
207.13795	22.3
261.22134	7.8
272.56882	2.3
279.15775	4.9
281.17477	47.9
335.25751	51.4
437.24039	2.1
449.34058	2.5
531.38843	2.9
541.38843	68.2
542.39099	5.6
559.39929	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	559.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.9
55.01871	12.8
55.05508	32.7
57.03436	10.0
57.07072	2.7
58.52806	1.7
65.03944	3.9
67.05500	61.6
69.03439	6.1
69.07066	24.9
71.04996	4.0
71.08646	1.8
71.59798	3.4
77.03904	1.7
79.05491	55.1
81.03415	52.8
81.07055	71.0
83.04977	11.5
83.08619	24.0
85.02901	13.7
85.06549	3.7
91.05479	50.9
93.07036	36.6
93.07610	1.7
95.04964	27.7
95.08604	28.3
97.02904	3.8
97.06523	10.6
97.10148	13.9
99.08100	2.4
105.07027	51.3
107.04940	14.3
107.08588	36.9
109.06515	19.3
109.10143	17.3
111.04483	2.3
111.08048	9.1
111.48044	1.6
115.05466	3.1
117.07005	15.4
119.08582	34.9
121.06529	3.9
121.10147	15.2
123.04446	5.2
123.08063	5.2
123.11722	7.1
125.09632	10.4
128.06271	2.7
129.06993	16.8
130.07857	2.1
131.08554	22.3
131.09343	1.6
133.06557	3.3
133.10118	26.0
135.08032	9.0
135.11710	8.6
137.09654	5.4
139.03925	2.7
141.06964	2.6
142.07822	3.3
143.08574	9.2
145.06509	3.8
145.10100	21.2
147.04379	1.8
147.08020	2.7
147.11661	21.0
149.09587	13.2
149.13242	2.2
151.03873	2.1
155.08578	3.8
157.10101	16.6
157.11145	1.8
159.08055	3.0
159.11668	13.8
161.09647	4.2
161.13326	3.5
163.03998	2.2
163.11189	10.6
163.14824	2.6
164.33768	1.6
165.12817	4.7
169.10199	5.0
171.11755	5.4
173.09650	4.0
173.13300	5.0
175.11208	8.2
177.05545	2.7
177.12781	3.0
179.14380	4.5
183.11691	5.1
185.13297	4.0
187.11263	3.7
187.14946	2.4
189.11266	5.9
189.12828	3.1
193.12213	26.9
197.13361	4.0
205.08687	1.8
209.13367	2.0
211.13246	23.0
211.14912	2.1
213.16451	2.9
227.12810	9.5
229.19556	3.4
239.18094	3.0
247.08479	1.8
247.20583	4.8
257.19083	10.4
267.15891	24.8
275.20044	60.0
285.16919	3.5
293.21201	7.0
297.22089	3.8
299.20206	5.1
300.21637	2.7
315.23242	3.6
331.22830	3.9
349.23898	13.1
385.23611	2.0
431.29654	4.0
449.30826	6.2
467.31448	11.8
473.03943	2.1
485.32889	5.0
485.59924	1.9
523.34430	3.2
541.35278	52.5
559.21747	4.0
559.36340	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26333	1.6
53.03944	8.7
55.01632	1.8
55.01873	19.5
55.05507	34.2
57.03437	13.8
57.07061	4.0
65.03953	3.4
67.05500	67.4
69.03421	6.3
69.07066	42.9
70.65657	3.1
70.66055	4.4
71.04985	8.4
74.59336	1.8
79.05488	57.8
81.02927	2.7
81.03413	57.2
81.07054	74.1
83.04973	12.5
83.08614	26.0
83.36709	1.8
85.02903	11.4
85.06549	3.2
86.95135	1.5
91.05476	82.4
93.07036	47.9
95.01299	11.0
95.04965	31.9
95.08598	43.8
97.02895	2.1
97.06525	31.6
97.10176	15.9
98.20809	1.7
99.08087	2.7
103.05468	3.0
105.04565	2.5
105.07026	84.5
107.04952	30.3
107.08595	28.8
109.06501	8.9
109.10141	18.2
111.04426	4.7
111.08067	8.2
113.06016	2.0
115.05470	2.6
117.07002	24.8
119.04964	3.1
119.08568	52.6
121.06525	8.4
121.10123	15.4
123.04463	2.2
123.08069	6.8
123.11697	3.9
125.09579	10.1
128.06224	4.2
129.07013	18.7
131.04956	1.8
131.08562	42.1
133.06479	5.4
133.10126	41.8
135.08038	6.3
135.11681	8.8
137.09592	4.7
139.07527	2.6
141.07030	4.5
142.07779	3.9
143.08533	11.0
144.02559	1.6
144.09393	1.7
145.06477	4.2
145.10112	24.3
147.08052	6.1
147.11679	25.7
149.09619	13.9
149.13239	3.5
151.11182	2.5
155.08578	6.0
157.06483	1.6
157.10101	14.5
159.08047	2.9
159.11685	18.6
161.09659	4.3
161.13182	7.8
163.11160	8.5
165.09131	1.6
165.12814	4.1
168.75172	1.4
169.10158	6.5
171.10347	2.5
171.11652	11.1
173.09572	1.8
173.13274	6.5
175.11198	9.0
177.12794	6.9
179.14310	16.8
181.10127	2.1
183.11722	6.3
185.13258	6.5
187.11209	4.2
187.14827	3.7
189.11224	4.4
189.12724	1.7
193.12219	22.3
193.92549	1.6
195.13853	2.8
197.13274	5.2
200.88101	1.7
201.12721	4.0
205.12239	2.4
211.13287	16.2
215.17886	1.6
219.13815	2.6
223.15077	1.9
227.12814	4.4
229.19484	2.3
233.15341	2.3
239.17999	3.4
241.14316	3.1
247.20773	3.1
249.14766	2.0
251.46638	1.7
257.18964	12.9
267.15887	48.0
273.18607	1.8
275.20068	100.0
279.16116	3.7
291.19562	2.0
292.76697	1.6
293.21136	13.6
297.22244	3.0
313.21619	5.2
315.23230	2.2
325.21616	2.9
331.22787	2.6
349.23691	20.1
405.27240	1.9
431.29556	3.0
449.30444	3.9
467.31683	4.5
485.32990	3.9
523.34448	3.6
541.35236	80.7
542.35193	2.1
559.36292	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.6
55.01867	21.1
55.05510	38.5
57.03438	13.2
65.02699	2.0
65.03932	5.5
67.05502	79.8
69.03419	6.9
69.06721	3.1
69.07067	45.1
70.11295	2.9
70.11607	11.5
71.04986	9.3
77.03902	2.7
79.05490	69.3
81.03416	78.7
81.07053	98.8
82.07353	2.4
83.04967	18.7
83.08615	27.4
85.02892	10.3
85.06540	3.8
86.05776	2.5
91.05478	91.6
93.07041	60.0
95.01328	7.6
95.04971	33.2
95.08035	4.2
95.08599	45.6
97.02879	3.2
97.06515	29.8
97.10164	16.3
103.05450	3.9
105.07026	84.5
107.04955	27.1
107.08596	34.5
109.06525	13.6
109.10166	23.7
111.08085	9.0
115.05456	4.7
116.06203	3.1
117.07010	26.0
119.04902	4.1
119.08577	55.0
121.06511	8.9
121.10130	20.6
123.04372	3.5
123.08046	6.4
123.11742	6.5
125.09641	9.7
128.06255	4.9
129.06992	17.9
131.08560	40.4
133.06476	6.5
133.10130	38.1
135.08063	7.4
135.11668	12.1
137.09627	4.1
139.07516	2.4
139.11159	2.8
141.07030	6.6
142.07834	5.3
143.08614	13.4
145.06517	6.1
145.10101	22.5
147.08037	9.3
147.11673	30.9
149.09595	21.1
149.13216	5.0
151.11223	4.4
155.08540	4.7
157.10117	16.5
159.08112	3.3
159.11690	19.8
161.09575	4.1
161.13268	8.3
163.11137	11.4
165.12764	4.3
169.10182	8.7
171.11691	4.8
172.79831	2.2
173.09685	3.9
173.13303	7.6
175.11198	9.8
175.14919	2.5
177.12756	4.0
179.14253	12.0
181.10085	2.4
183.11688	6.2
185.13295	8.8
187.11209	5.8
187.14810	2.6
189.11235	4.3
189.12802	2.7
193.12207	19.4
195.11696	3.7
197.13315	3.6
199.11209	2.7
201.12680	3.3
207.17119	2.3
211.13158	10.4
227.12717	4.6
229.12244	3.6
229.14270	2.3
229.19589	3.8
231.50050	2.4
233.15515	2.1
234.39546	2.1
239.17911	4.2
240.10757	2.5
247.20541	4.0
257.18954	10.8
267.15872	43.6
273.18509	4.1
275.20059	83.5
279.15991	2.9
293.21140	8.7
294.72229	2.7
299.20193	5.7
313.21643	6.4
315.23309	3.2
317.21030	3.1
331.22714	3.1
349.23819	26.6
387.24997	2.5
421.31143	3.2
431.29337	3.3
447.27301	3.4
449.30630	5.2
457.85181	2.5
461.29202	3.2
467.31726	9.8
485.32440	7.2
523.34357	3.6
541.35303	76.5
559.36316	100.0
560.36493	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	559.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	1.0
51.02374	1.1
53.03929	5.9
55.01622	1.2
55.01868	14.9
55.05262	1.4
55.05508	21.0
56.15313	0.9
57.03436	7.2
57.07065	1.3
58.50205	0.8
59.06405	0.7
65.03928	3.3
67.05500	55.1
68.99754	1.1
69.03419	4.3
69.07063	35.7
71.04979	4.3
71.59997	1.2
77.03935	0.9
77.24192	0.8
77.91176	0.8
79.05489	41.3
81.03413	43.4
81.07051	61.3
83.04973	13.5
83.08608	16.0
85.02898	8.7
85.06527	2.7
91.05476	67.9
93.07036	42.1
94.33939	0.8
95.01325	9.5
95.04963	27.6
95.08598	34.8
97.02889	2.9
97.05903	1.6
97.06523	29.1
97.10160	4.9
99.08077	2.5
103.05480	1.7
105.04504	1.6
105.07024	72.7
107.04948	22.1
107.08592	19.8
109.06514	6.4
109.10130	9.3
111.04428	2.1
111.08070	6.5
112.33966	0.9
113.05999	1.4
113.09631	1.3
115.05446	3.1
116.06217	1.1
117.07005	17.9
119.04926	0.9
119.08570	41.8
121.06521	6.1
121.10143	12.1
123.04429	3.3
123.08072	5.8
123.11672	4.3
125.09614	5.3
128.06177	1.7
129.07005	10.5
130.07784	0.8
131.04886	1.2
131.08551	28.8
131.09517	1.8
133.06471	3.0
133.10121	44.5
135.08047	3.3
135.11664	6.5
137.09602	3.5
139.07510	1.5
141.06984	3.4
142.07813	2.4
143.08568	4.8
145.06477	3.2
145.10115	20.4
147.08032	3.4
147.11676	24.2
149.09619	11.5
149.13255	3.2
151.11166	2.0
155.08546	3.5
157.10130	11.8
159.08083	1.3
159.11676	13.6
161.09615	1.1
161.13318	4.6
163.11171	6.5
163.14786	1.5
163.61636	0.8
165.09134	2.9
165.12729	2.3
169.10103	3.9
171.11714	3.6
173.13258	3.6
175.11235	6.3
177.12709	4.9
179.10733	1.0
179.14293	14.8
183.11664	4.4
185.13245	1.4
187.11180	5.2
187.14754	1.9
189.12750	0.8
193.12241	15.8
195.11594	0.8
195.13832	1.8
197.13283	3.3
201.12811	1.2
201.16267	1.1
205.12311	2.6
207.13898	1.4
211.13242	15.9
219.17445	1.9
222.83571	0.8
229.19525	1.4
233.15282	1.1
239.17903	2.9
241.14256	2.3
247.16982	1.0
247.20648	2.5
249.14734	2.1
257.18997	8.4
267.15912	23.3
273.18506	1.7
275.20044	100.0
276.20370	1.0
279.15826	4.0
285.16962	1.3
291.19540	7.0
293.21170	10.3
299.19870	1.0
316.63684	0.9
331.22830	2.0
347.22626	0.9
349.23694	20.5
449.30344	1.5
452.75522	0.9
467.31219	1.9
523.34851	1.1
541.35181	36.7
542.35828	1.4
559.36243	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01863	0.9
55.05514	4.0
56.05841	0.6
57.07074	21.5
67.05503	5.2
68.05846	0.7
69.03421	2.6
69.07048	2.2
71.04984	0.6
71.08630	23.1
71.83828	0.7
73.06532	2.8
74.09719	4.7
77.55660	0.7
79.05512	3.0
80.05856	0.7
81.03419	4.6
81.07048	3.4
82.07346	0.7
83.04974	1.0
83.08612	3.8
85.02897	6.2
85.10181	20.8
87.04446	2.1
89.06027	74.2
91.05472	4.1
92.05805	1.0
93.07034	2.5
95.04954	2.7
95.08589	2.4
97.02886	2.5
97.10141	1.5
98.20702	1.2
99.11728	2.6
105.07009	2.6
107.04954	1.3
107.07079	4.5
107.08575	2.4
109.10159	0.9
117.07016	1.5
117.09123	1.6
119.08556	2.0
120.08915	0.8
121.10109	1.1
127.03948	0.8
129.06960	0.9
130.08655	3.7
130.09471	0.7
131.06953	0.8
131.08531	1.6
133.08595	36.5
133.10144	1.0
141.16356	2.1
145.06429	0.9
145.10147	1.2
151.09674	2.4
159.11713	1.3
177.11195	9.9
185.19025	2.7
195.12245	2.1
221.13838	1.4
226.21635	1.3
229.19569	1.1
229.21599	8.4
239.14896	21.2
240.16176	0.6
273.24298	3.6
276.20334	1.0
291.19644	2.6
291.25323	0.7
292.19952	2.6
335.27832	1.5
379.30527	100.0
380.31003	1.2
386.24500	0.7
396.30383	0.7
484.31561	1.1
540.34058	2.3
558.35004	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	558.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97586	0.4
53.03936	1.2
55.05504	12.7
57.03422	0.9
67.05495	1.1
67.34581	0.5
69.03424	2.7
69.07050	1.5
69.38103	3.4
69.38509	1.1
70.06574	0.8
71.04979	0.9
74.06071	0.5
79.01839	1.4
79.05489	0.8
81.03413	4.1
81.07038	2.0
83.04968	7.2
83.08135	0.9
83.08614	12.0
85.02890	3.1
85.06548	0.6
91.05455	0.5
93.07046	2.5
95.04971	10.6
95.08596	1.3
97.02889	3.3
97.06526	1.7
97.10133	1.4
99.04456	2.4
99.08074	0.7
100.32177	0.5
105.07006	1.1
107.01307	0.8
107.04913	1.1
107.08604	4.6
109.02883	3.0
109.06492	0.7
109.10155	6.3
111.08056	2.6
114.46595	0.5
119.08555	0.9
121.02837	0.5
121.10121	1.8
123.04398	1.2
123.11719	3.2
125.02349	1.6
125.09634	2.9
127.03915	4.6
133.10130	2.4
137.05965	0.7
137.09470	0.6
139.03876	0.7
143.03412	2.6
147.04419	0.9
149.13239	2.1
151.09958	1.0
151.11172	17.5
153.01820	47.0
153.09142	2.7
154.02174	0.7
167.14314	21.3
171.02879	4.8
173.13223	1.7
191.14253	0.9
209.15356	100.0
210.14905	1.2
212.16451	1.7
228.16028	2.5
297.05911	3.3
315.07071	6.5
396.27554	1.2
523.21716	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	558.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65724	0.9
55.01862	2.4
56.65626	0.8
57.03423	1.2
65.03918	1.8
69.03416	3.5
70.40742	3.7
79.05489	3.6
81.03400	2.3
84.66707	0.8
85.02894	5.7
91.05479	17.7
93.07020	2.0
94.04193	2.1
95.04945	3.8
97.02884	2.9
102.04671	1.4
103.05466	13.8
105.03471	1.1
105.07035	11.3
105.83355	0.9
107.04956	31.2
109.02886	1.4
109.06492	2.5
115.03860	1.2
115.05442	4.0
117.07013	2.5
119.04941	16.9
119.08578	1.0
120.05744	1.3
121.06477	7.6
122.03633	3.3
122.07308	1.6
123.04382	1.6
123.29463	0.8
127.03882	2.8
128.06213	1.3
129.06964	5.8
130.04115	1.9
131.04016	1.7
131.04930	23.0
131.05942	1.4
131.08588	2.2
133.02827	3.5
133.06483	9.3
135.04390	2.1
135.08055	10.2
136.05154	1.1
137.05974	100.0
145.06502	2.6
146.03564	1.5
146.07265	3.5
147.04410	17.8
147.08058	2.3
148.05188	3.3
149.05963	10.9
149.09727	0.8
150.06761	1.9
151.03900	1.1
151.07542	53.7
153.01807	2.4
157.06512	6.3
161.05978	98.8
161.09599	19.3
162.06772	8.6
163.07538	62.7
165.05565	1.0
165.06992	2.0
165.09076	2.5
167.07115	1.3
167.08531	3.3
169.06505	1.9
171.08083	0.9
174.06750	4.6
174.54480	0.9
175.07564	15.2
177.05484	1.8
177.09120	8.8
178.07761	1.0
179.07039	7.7
179.10745	1.7
181.08603	11.7
183.65495	0.9
187.07539	1.9
189.09100	64.6
190.07825	1.0
191.07033	3.6
193.06459	1.8
193.10132	2.1
194.07178	1.1
195.08058	8.1
195.09924	1.5
201.09131	1.8
207.10162	88.3
209.09610	1.6
210.06787	1.3
217.08498	0.9
219.08217	1.7
219.10100	7.3
221.05959	3.2
221.09619	2.2
221.11595	1.4
223.07439	4.3
224.08331	1.0
225.09109	3.6
227.10643	11.9
233.09624	1.3
235.07329	1.6
237.09091	2.3
240.07880	1.9
241.08713	1.0
249.09099	3.9
253.08621	4.8
253.12221	6.4
255.10141	11.3
257.08176	1.0
265.08551	3.1
267.10034	2.7
269.08173	2.1
269.11691	1.6
281.11792	4.0
284.10254	1.1
285.11188	10.8
287.12787	30.4
291.12213	1.9
293.11795	2.1
297.11285	4.8
299.12546	4.6
311.12833	14.1
313.14343	34.3
325.14383	3.0
331.15402	74.7
343.15454	11.1
469.51306	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
55.01868	3.2
55.05508	15.3
57.03435	4.9
57.07085	2.6
65.03938	2.2
67.05500	36.3
69.03425	1.6
69.07060	15.5
69.37798	12.4
69.94446	1.2
71.04988	2.5
79.05482	25.7
81.03435	4.2
81.07050	35.6
83.04990	4.6
83.08607	8.6
85.06541	2.9
88.19781	0.9
91.05473	29.5
91.05997	1.8
91.29237	1.1
93.07032	28.7
95.04969	8.9
95.08604	22.7
97.06546	4.7
97.10198	5.3
97.15849	1.2
98.21568	1.5
105.07017	25.4
105.07647	1.8
105.82656	1.1
107.04987	5.0
107.08585	16.6
109.06541	3.3
109.10147	10.5
111.08127	1.8
115.05473	1.4
117.07000	14.6
119.08575	23.7
119.09334	1.5
121.06581	3.4
121.10126	9.3
123.08134	2.8
123.11697	1.8
125.09675	2.5
128.06256	3.1
129.07002	16.1
131.08548	22.5
133.10126	17.1
133.11076	1.6
135.08095	3.7
135.11699	6.5
137.09633	1.5
141.06995	6.8
142.07814	2.5
143.08557	19.4
145.06474	2.3
145.10104	25.0
147.08101	1.9
147.11667	14.6
149.09656	2.0
149.13298	2.0
153.12759	1.4
154.07811	2.0
155.08536	17.3
155.09692	1.6
156.09421	2.6
157.10124	16.7
159.11676	13.6
161.09697	3.2
161.13214	7.8
163.11209	3.6
163.14757	1.1
167.08633	4.9
168.09396	2.5
169.10100	17.5
171.11674	17.9
173.09732	3.6
173.13228	8.5
175.14890	3.7
179.08638	1.9
179.14365	2.0
180.09401	2.0
181.10089	11.8
183.11681	13.9
185.13243	10.3
187.11203	1.5
187.14896	4.2
189.12788	1.8
189.16475	1.1
193.10124	2.4
195.11668	8.3
197.13243	10.8
199.14804	9.5
207.11800	3.6
207.13834	2.4
209.13226	6.3
209.66812	1.1
211.14854	5.4
213.12779	1.3
213.16512	5.3
221.13335	3.0
223.14946	5.3
225.16556	3.7
227.12875	3.3
235.14955	3.3
237.16588	3.1
239.17981	1.9
241.19603	4.3
242.42699	1.6
243.21303	1.3
249.16264	1.4
257.19046	1.5
259.20535	10.9
275.20071	5.9
277.19467	1.8
279.15982	2.0
281.17352	7.7
285.22116	1.2
287.20255	1.4
288.60892	1.1
295.20795	2.0
299.20169	1.7
309.22321	1.5
311.20099	1.3
313.21658	2.2
323.23862	1.7
325.21667	1.3
333.24371	3.6
335.24048	3.1
339.23492	1.7
339.27145	1.6
349.25424	2.5
353.24799	2.1
367.26688	2.0
377.24857	2.0
407.30048	1.3
419.33325	4.2
429.31888	4.3
437.34317	9.7
447.32620	19.3
448.95535	1.3
465.33682	22.7
465.90878	1.2
483.34860	15.3
493.37515	1.3
501.36130	3.1
503.35336	1.6
511.38342	2.4
521.36200	8.1
527.37561	1.6
529.38873	6.9
539.37280	100.0
557.38574	60.0
576.08276	1.3
578.29254	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.01860	3.0
55.05508	15.1
57.03429	4.1
57.07063	3.1
61.83233	0.8
65.03940	2.1
67.05504	29.2
69.03426	1.0
69.07068	12.2
70.79137	1.8
70.79474	0.8
71.04990	2.5
71.08617	1.6
72.60999	0.7
79.05491	25.0
79.05962	1.2
81.03414	2.7
81.06576	1.5
81.07055	28.6
83.04976	3.0
83.08614	8.4
85.06542	2.6
87.66690	0.7
89.53450	0.8
91.05477	30.7
93.07041	28.8
93.07629	1.7
95.04971	7.5
95.08603	23.2
97.06537	2.6
97.10161	4.4
103.05438	1.1
105.07024	26.2
107.04952	1.8
107.08591	12.2
109.06506	2.1
109.10143	8.5
111.08069	1.8
115.05462	1.7
116.06156	0.8
117.07012	13.9
119.08573	20.6
121.06528	1.6
121.10138	8.8
121.83648	0.8
123.08065	2.9
123.11697	1.8
125.09621	1.6
128.06200	3.6
129.07002	14.6
131.08563	23.0
133.06509	0.9
133.10132	15.0
135.08063	1.9
135.11667	5.7
137.09651	1.6
141.06978	6.3
142.07803	2.3
143.08549	20.6
145.06453	2.1
145.10115	21.7
147.08084	2.1
147.11681	14.5
149.09616	2.1
149.13258	2.5
151.11191	1.0
153.03523	0.8
153.07030	1.0
154.07793	1.9
155.08551	15.8
156.09277	1.3
157.06520	1.0
157.10123	17.2
159.08054	1.0
159.11685	14.8
159.12856	1.3
161.09662	1.0
161.13237	7.7
163.11195	1.3
163.14818	1.6
167.08571	7.1
168.09312	1.8
169.10126	19.7
170.10898	0.8
171.08115	1.1
171.11674	16.4
173.09698	2.1
173.13246	9.3
175.11153	1.3
175.14809	2.8
177.12726	2.1
179.08568	3.2
180.09357	2.0
181.10118	10.7
182.10933	1.6
183.11687	16.5
185.09659	1.7
185.13245	13.5
187.11206	1.7
187.14813	5.1
189.12753	2.0
193.10074	3.6
195.11700	10.7
196.12334	0.8
197.13228	11.3
199.14825	7.6
201.16438	2.0
205.10165	1.5
206.10776	0.9
207.11752	3.5
207.13866	2.7
209.13258	5.9
210.13899	1.0
211.14806	7.0
213.12729	1.1
213.16370	6.5
215.17953	0.9
219.11575	1.3
221.13237	2.6
223.14795	6.5
223.16609	0.8
225.12813	0.8
225.16507	3.0
227.18031	1.5
231.21036	1.5
233.13226	1.8
235.14809	2.1
237.16423	3.9
239.18007	2.3
241.19585	4.8
247.14748	1.1
247.17116	1.2
249.16466	2.2
251.18008	1.7
255.02371	0.7
257.19067	1.9
259.20593	8.2
265.19540	1.3
269.19022	1.3
271.20563	0.8
279.15979	3.2
279.21033	1.1
281.17337	7.2
283.20547	1.2
285.22156	0.8
287.20160	0.9
293.19043	1.1
295.20468	0.9
295.24420	0.8
297.22272	2.3
299.20221	0.9
299.23630	1.7
307.20917	1.2
309.22214	1.4
309.56506	0.7
311.20053	1.1
311.23740	1.2
313.21887	0.8
315.23450	1.3
321.22067	1.8
323.23795	2.2
325.21588	1.3
325.25226	0.9
327.23270	1.2
331.23184	0.9
333.24237	4.4
335.23767	1.4
337.25406	1.5
339.23132	1.6
341.24762	2.1
344.84705	0.9
347.23679	0.7
349.25327	1.5
353.24716	1.9
367.26349	0.9
387.26556	0.7
419.33334	2.2
429.31879	4.0
435.32941	1.3
437.34039	9.1
447.32574	19.6
465.33646	21.1
483.34628	16.5
501.35748	3.1
503.35410	1.6
511.38095	2.4
521.36279	8.9
527.37195	2.9
529.38770	6.5
539.37341	100.0
540.37225	3.5
557.38434	52.2
558.38599	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.9
53.03932	7.5
55.01866	19.3
55.05261	2.5
55.05505	28.1
57.03424	5.6
57.07050	2.7
59.04979	2.2
65.03925	4.2
67.05495	44.2
69.03422	3.5
69.07058	33.8
69.54137	2.4
69.54538	12.5
70.88413	1.6
71.04977	5.0
79.05486	49.2
81.03413	17.5
81.06573	3.7
81.07047	62.1
82.25158	1.7
83.01334	5.5
83.04979	15.9
83.08614	15.2
85.02899	1.9
85.06538	2.6
88.67278	2.2
91.05467	68.0
93.07034	53.3
95.01318	14.4
95.04948	18.2
95.08598	38.7
95.09167	3.4
97.02869	2.4
97.06513	25.1
97.10147	6.4
103.05432	2.6
105.07015	70.7
107.04942	29.3
107.08573	25.4
109.06516	10.3
109.10139	10.4
111.04438	3.4
111.08096	2.8
115.05422	2.1
116.46106	1.8
117.06995	20.6
119.08566	44.4
121.06465	3.5
121.10114	11.3
123.04413	3.2
123.08069	9.7
123.11691	1.7
125.09604	3.9
128.06203	2.5
129.07004	6.4
130.07761	4.0
131.08560	28.7
133.06471	2.4
133.10106	44.0
135.08057	6.3
135.11688	11.7
137.09602	4.6
141.06999	2.6
143.08556	8.1
145.06454	3.6
145.10103	30.1
147.08031	4.8
147.11687	17.5
149.09598	8.3
149.13239	2.9
151.11212	2.5
153.12715	2.3
155.08540	2.9
157.10167	6.8
159.11667	13.1
161.09605	2.0
161.13264	6.8
163.11166	19.5
165.12769	1.7
169.10046	4.1
171.11667	5.2
173.09660	2.2
173.13293	4.8
175.14719	1.8
177.12770	5.2
179.14268	18.2
181.12254	2.2
183.11638	3.5
187.11217	2.6
191.10901	2.0
197.13264	2.5
205.12083	1.9
207.11890	2.0
209.11739	2.1
219.13953	1.9
229.19478	2.1
239.18059	2.4
241.14372	2.5
257.18854	10.9
275.20044	100.0
282.89258	1.8
283.15442	3.1
293.21124	7.2
349.23599	5.1
429.93335	2.3
539.33710	8.1
556.22235	1.8
557.34692	94.2
558.34723	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	556.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26306	0.3
52.13754	0.3
53.03935	1.2
53.58783	0.3
57.03426	0.9
69.03076	0.5
69.03426	7.8
71.04981	1.1
71.30117	0.8
71.30466	0.3
72.08128	0.5
73.02907	2.2
75.04479	0.4
81.03416	4.1
83.01315	0.3
85.02902	5.3
85.56927	0.3
97.02905	1.7
99.04450	2.9
100.47993	0.4
101.02345	0.5
109.02831	1.6
127.03911	6.0
137.05978	0.4
145.04974	0.4
147.04362	0.6
153.01817	1.4
157.02879	0.4
175.03940	0.9
185.02350	0.5
187.03923	2.8
191.03424	0.5
201.01877	0.4
203.03395	2.0
213.01889	2.0
215.03407	3.4
229.01360	1.0
231.02869	12.0
231.05190	0.6
241.01370	2.0
247.02342	1.1
249.04016	0.4
257.00809	0.6
259.02377	25.8
260.02774	0.5
275.01859	2.1
276.02615	1.0
277.03421	100.0
278.03745	1.1
282.08282	0.3
303.01340	21.3
321.02399	6.3
363.03500	2.9
385.05679	1.1
411.03415	0.4
429.04153	0.6
439.61841	0.4
447.05334	1.0
465.06647	26.0
557.73743	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33641	1.0
55.05499	3.1
57.07070	32.7
59.04993	1.0
64.95892	1.0
67.05490	3.6
69.07050	2.9
70.04366	5.6
71.08624	29.4
73.06548	9.0
81.07032	3.7
83.08598	4.8
85.09657	1.6
85.10175	29.7
87.04479	5.9
89.06026	100.0
91.05482	1.6
93.07023	1.9
95.08595	4.1
97.10164	1.6
98.98453	8.4
99.11726	2.6
105.07035	1.5
107.07063	4.7
107.08571	2.1
109.10120	1.3
117.09137	5.5
119.08627	2.1
130.08600	5.8
131.07040	1.8
133.08598	46.4
141.16344	3.9
147.11662	1.4
155.01019	10.1
161.11664	1.6
177.11201	15.3
185.18985	3.8
226.21504	1.4
229.21594	5.0
239.15019	1.3
239.23721	1.4
273.24252	2.2
313.27322	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	555.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01081	1.4
51.22861	1.5
53.00298	1.4
53.03930	6.4
55.01866	14.1
55.05510	15.6
57.03425	6.5
57.07072	31.0
65.03909	3.3
67.05501	42.5
69.03430	2.4
69.07063	26.1
71.08628	19.8
71.60055	1.9
71.60430	1.5
79.05063	2.6
79.05492	42.9
81.03416	16.5
81.07053	45.1
83.04977	8.1
83.08608	13.1
85.10180	9.8
85.85455	1.4
91.05477	41.8
93.07034	31.0
95.01318	6.4
95.04972	16.1
95.07989	1.7
95.08600	42.5
97.06527	24.5
97.10161	8.0
98.98460	80.4
99.04467	1.7
99.08093	1.6
101.40620	1.5
103.05461	1.9
105.07026	47.8
106.07179	1.4
107.04944	13.5
107.08587	13.8
109.02871	6.8
109.06505	4.4
109.10145	14.8
116.99509	2.5
117.07017	8.7
119.07785	2.5
119.08572	27.1
121.06480	3.3
121.10114	5.2
123.04449	2.5
123.08041	4.4
123.11677	4.1
129.06992	5.7
131.08560	12.4
133.06400	2.0
133.10120	21.2
135.08044	2.6
135.11678	5.0
137.13274	2.1
139.07483	1.7
143.08537	3.2
145.06503	1.9
145.10130	11.2
147.11682	13.6
149.09572	4.6
149.13223	1.9
155.01035	100.0
155.08435	1.7
157.10126	3.1
159.11723	7.6
161.13220	7.6
163.11163	3.4
171.11658	10.5
173.13255	2.9
175.11176	1.6
177.12723	3.1
179.14308	11.8
187.11133	2.5
189.12712	4.5
196.03824	2.0
207.13837	5.5
239.17847	2.3
239.23700	12.6
247.20583	1.7
257.19003	2.7
263.16534	1.6
275.20032	60.2
279.15823	3.7
293.21082	5.3
313.27338	78.5
314.27783	4.6
317.06323	8.3
349.23672	2.9
383.27484	1.9
393.23874	8.6
401.28830	7.2
477.44745	1.5
537.27979	3.7
545.60651	1.7
555.22528	2.2
555.36865	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.2
55.01870	0.3
56.94067	0.3
57.03408	0.2
65.53211	0.2
67.05485	0.4
69.03420	0.9
69.68127	0.5
69.68534	1.3
79.05486	0.4
81.03411	1.3
81.07042	0.4
85.02899	3.3
91.05476	1.0
94.04173	1.0
95.04932	0.4
95.08612	0.5
97.02877	1.4
98.21459	0.5
103.05463	1.2
104.07066	0.3
105.07047	0.5
107.04951	0.4
107.08572	0.4
109.02896	0.4
119.04942	0.5
122.03640	2.3
127.03923	0.6
131.04918	2.6
133.06444	0.3
137.05971	100.0
138.06345	0.5
147.04399	0.9
151.07576	1.0
153.01807	0.5
154.06279	0.3
163.07535	4.8
167.07076	0.3
175.07504	0.5
177.05551	0.4
177.09082	0.4
181.08591	15.0
195.10146	0.3
209.08127	0.6
265.10703	0.3
286.64209	0.2
289.10861	0.5
326.88544	0.3
483.57953	0.3
492.32666	0.2
554.30231	1.9
555.27887	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
57.03421	0.7
61.02906	0.9
68.04993	1.3
69.03421	2.7
70.06563	1.3
71.58292	0.5
81.03385	1.3
85.02909	3.9
97.02910	1.9
99.04457	0.4
109.02837	0.8
127.03922	0.6
128.73695	0.4
130.04979	0.9
140.03412	0.7
143.03429	0.3
149.04570	0.5
153.01790	0.9
166.07230	0.6
167.07024	1.2
172.06052	1.0
189.06448	0.5
201.06393	1.2
202.07225	0.8
203.07965	0.8
204.08813	7.2
215.07907	1.6
216.08794	96.6
217.09474	1.0
218.10327	3.1
225.06453	7.7
226.07196	3.3
227.07935	0.9
228.08766	0.8
229.09552	0.8
230.10367	9.4
240.08788	58.1
241.09612	2.4
242.10359	0.6
246.09868	4.4
255.09958	0.7
258.09872	2.5
262.74155	0.3
268.08273	6.5
272.11407	4.8
283.09314	1.0
286.09158	0.5
300.10889	52.1
301.11249	0.6
311.08850	0.9
315.12027	1.0
333.12839	1.5
343.11520	1.6
361.12503	4.3
375.14069	8.1
393.15146	100.0
394.15381	0.8
447.21811	0.4
555.20868	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	551.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01859	1.9
55.05505	8.5
57.03435	3.6
57.07074	22.3
65.03951	1.1
67.05169	1.3
67.05503	15.1
69.03447	0.9
69.07067	7.1
71.04985	1.8
71.08629	17.6
71.46538	1.2
79.05491	7.5
81.03416	25.0
81.07050	18.4
83.04975	5.2
83.08614	12.4
85.02898	12.0
85.10179	8.1
91.05483	10.1
93.07049	7.2
95.04959	9.7
95.08604	15.8
97.02888	1.3
97.06514	1.0
97.10179	6.4
99.08091	1.0
99.11687	0.7
105.07030	8.2
107.04933	2.1
107.08588	2.4
109.06504	2.1
109.10149	6.7
111.08072	4.2
111.11713	1.9
119.08578	6.4
121.10108	4.3
123.08119	0.9
123.11696	3.3
128.10451	0.6
129.07030	3.7
131.08595	3.5
133.10141	2.7
137.09669	0.7
137.13245	1.8
142.07762	1.5
147.08040	1.5
147.11688	6.1
149.09596	2.0
157.10124	5.2
159.61111	0.6
165.12863	1.2
175.11162	6.0
181.74234	0.7
193.12236	23.7
211.13290	26.7
232.60899	0.7
267.15909	6.3
267.26834	2.9
285.48151	0.7
339.90192	0.7
341.30481	4.7
349.37747	0.7
355.02539	0.8
533.41919	3.9
551.43073	100.0
552.43262	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01856	1.4
55.05517	3.2
57.03429	2.8
57.07059	0.6
59.04987	1.1
61.02926	4.6
61.64952	0.5
67.05484	2.5
69.03426	9.1
69.07059	7.0
70.72810	1.8
71.04986	4.1
72.29950	0.5
73.02908	2.2
79.05488	2.1
81.03423	4.6
81.07054	6.9
83.04984	0.5
83.08623	4.8
85.02902	55.5
85.06546	0.7
87.04466	0.7
91.03944	2.2
91.05457	1.6
93.07038	7.0
93.49223	0.6
95.04945	2.1
95.08607	8.8
97.02885	14.2
97.06531	11.5
97.10152	2.0
99.04450	2.2
99.08105	1.3
99.27133	0.5
105.07040	4.2
107.04948	1.0
107.08588	9.4
109.02877	4.7
109.06506	7.4
109.10147	6.0
111.08058	1.3
111.11714	1.7
115.07545	2.0
119.08569	10.6
121.10139	5.5
123.04413	0.6
123.08070	5.1
123.11697	5.2
125.02363	0.6
125.09639	1.1
126.03727	1.0
127.03912	12.9
131.08665	0.5
133.10127	23.2
135.11687	14.3
137.05986	0.7
137.09616	4.7
140.05305	1.4
140.55428	0.6
141.12717	1.3
142.65056	0.6
145.04956	23.1
145.10092	0.9
147.11665	2.4
149.13254	12.2
151.11224	0.6
153.01826	8.6
153.12679	1.5
154.02132	1.0
163.06000	11.0
165.12671	0.6
167.07063	0.8
168.07417	0.5
171.02887	1.0
175.14818	30.8
177.05519	0.6
193.15874	52.2
194.16180	0.7
204.08717	0.8
211.16927	100.0
220.11566	0.8
238.12640	2.4
243.48839	0.6
269.76517	0.5
289.09061	0.7
293.21265	0.7
325.11316	2.7
337.23807	1.3
341.56256	0.6
373.22354	0.8
390.23074	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4243
Annotation	(3'Z,5'Z)-Celaxanthin
Peak:m/z	Relative Intensity
50.44777	1.5
55.05506	12.6
57.07059	7.9
62.03081	1.5
62.52487	1.6
65.03932	3.1
65.22646	1.6
65.69035	1.6
67.05170	2.0
67.05502	23.2
69.03442	1.6
69.07061	16.4
70.11707	6.4
77.72303	1.9
79.05491	20.5
81.07053	37.4
81.14515	1.7
83.05012	1.9
83.08598	8.4
85.06535	3.1
91.05476	34.9
93.07035	53.4
95.04955	7.0
95.08600	46.3
95.16396	1.5
97.10172	2.3
103.05451	3.4
105.07027	66.5
107.08585	57.6
109.06522	2.7
109.10146	45.5
115.05434	3.9
117.06996	15.4
119.08573	100.0
121.10133	52.2
123.08070	3.8
123.11705	16.1
125.09647	1.5
128.06210	8.0
129.06972	9.5
130.07761	7.9
131.08566	30.6
133.10117	58.4
135.08017	2.8
135.11678	37.6
137.09576	4.0
139.11166	3.2
141.06946	4.1
142.07774	11.0
143.08545	20.0
144.09325	7.2
145.06419	1.9
145.10117	65.9
147.11671	22.5
149.09583	2.2
149.13298	9.1
155.08516	8.9
156.09361	11.5
157.10132	34.2
158.10896	5.1
159.11682	33.3
161.13237	14.0
163.11131	3.5
163.14796	2.1
165.06966	3.8
167.08528	5.7
169.10112	20.0
170.10869	5.5
171.11708	21.7
173.13239	30.8
175.14815	45.8
179.08609	4.7
180.09335	3.5
181.10074	11.0
182.10913	5.6
183.11705	15.7
184.12378	2.7
185.13246	16.5
187.14825	16.8
189.16386	3.9
190.89836	1.6
193.10066	5.1
193.15808	2.4
194.10904	3.7
195.09996	2.3
195.11661	13.7
196.12439	4.5
197.13269	21.7
198.14012	2.0
199.14818	8.4
201.16408	18.7
203.14325	2.7
205.16020	2.3
206.10927	2.1
207.11702	7.7
208.12444	2.8
209.13232	15.1
211.14856	13.4
213.16377	8.2
215.17896	3.5
219.11722	2.3
219.17436	5.1
220.12399	3.1
221.13335	7.7
222.13965	2.1
223.14709	11.6
224.15582	2.7
225.16359	4.9
227.17915	2.8
231.11652	2.0
233.13269	2.1
235.14810	6.6
237.16411	6.7
239.17932	4.8
241.19450	4.0
247.14781	5.0
249.16515	2.5
251.17975	3.0
253.19492	8.2
259.20663	4.5
261.16290	4.3
263.18048	3.1
265.19501	6.0
267.21066	5.2
269.22806	2.1
271.20679	2.4
273.16525	1.9
275.17929	4.3
277.19513	2.5
279.21091	3.9
285.22171	3.9
287.17911	2.0
289.19485	3.3
291.21146	3.2
293.22681	2.8
297.21835	2.1
305.22305	1.8
315.21033	1.8
317.22537	3.0
331.24063	2.5
345.25546	2.8
349.25363	1.9
387.93967	1.8
411.30777	2.0
429.31442	2.7
430.32202	1.8
451.33282	2.0
459.35931	2.5
495.36316	2.7
533.41223	7.5
551.42426	51.0
563.97803	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78028	0.6
57.94668	0.7
59.41350	0.7
62.37373	0.5
68.25632	0.5
71.60945	0.9
81.03410	0.7
85.02866	0.6
90.88902	0.5
109.02112	0.6
115.05466	1.1
117.05729	0.8
117.07005	0.9
118.06535	15.9
123.04385	1.1
127.03874	0.9
130.06503	1.6
131.52771	0.7
132.08093	5.3
142.06537	1.2
143.07277	2.5
144.04425	0.9
144.08072	12.2
146.06001	60.6
153.01817	2.3
159.09174	5.5
160.07651	0.9
170.05991	5.8
188.07057	100.0
189.07379	1.8
205.09723	47.0
206.09956	1.1
237.02681	0.9
244.75240	0.6
445.50955	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01862	2.0
55.05502	1.9
55.72179	0.8
57.03418	2.8
61.02904	3.9
64.87645	1.1
66.44147	0.8
67.05501	4.7
69.03423	8.3
69.07048	2.9
70.06589	1.7
70.31413	3.8
71.04989	19.2
71.08614	1.2
73.02904	2.1
74.81826	1.1
75.33636	0.8
79.05492	1.6
81.03407	6.7
81.07057	7.3
83.04973	1.8
83.08597	2.4
85.02898	37.7
85.06533	8.4
85.07661	3.8
87.04426	0.9
87.71435	0.8
89.06026	2.3
91.03953	2.1
91.05461	5.0
93.07044	6.0
95.04959	1.7
95.08598	5.9
97.02882	12.8
97.06497	1.4
97.10168	1.4
99.04443	69.2
99.08062	3.4
103.05444	1.0
105.07012	5.5
107.04972	1.2
107.08585	12.9
109.02868	4.9
109.06520	2.3
109.10139	7.8
110.09687	1.2
111.04420	0.9
111.08086	1.5
111.24329	0.8
113.02330	0.8
113.09615	3.4
118.97788	0.7
119.04958	1.8
119.08563	4.6
120.08115	0.9
121.10118	5.6
123.04420	3.6
123.08071	9.1
123.11673	8.8
125.05974	0.9
125.09599	3.7
127.03903	9.9
127.11147	1.3
131.04889	1.4
131.08551	2.2
133.10114	10.9
135.08031	1.2
135.11662	1.6
137.05984	4.4
138.09108	1.8
139.03873	1.6
139.11169	2.2
141.12662	1.5
145.04944	11.4
145.10118	1.7
147.04399	7.4
147.11664	3.7
149.09604	1.2
149.13235	3.8
151.07523	1.5
151.11172	5.3
153.01813	14.3
154.04951	1.0
161.05939	2.3
163.03835	1.3
163.06021	1.9
163.07504	1.2
163.11084	1.0
165.12787	1.0
166.08646	6.7
167.06993	4.9
167.10605	1.8
167.14319	1.6
169.12219	16.1
171.02867	4.9
173.13255	3.3
175.07480	0.9
177.05464	2.3
181.05000	1.1
183.13786	21.8
189.09024	1.3
191.14337	4.8
195.02898	1.1
207.10338	1.1
209.15335	14.0
219.10228	0.9
227.16399	100.0
228.16844	1.7
267.68799	0.9
273.07538	7.5
283.09470	0.9
314.03998	0.8
335.25488	1.0
339.06946	1.2
340.07660	1.1
353.27112	1.0
357.10648	2.0
371.09619	2.0
371.14474	1.9
389.13391	1.1
551.20929	2.8
551.30090	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	550.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83548	0.9
53.03944	1.8
53.77676	0.9
55.01852	2.0
55.05503	2.7
57.03427	4.3
61.02919	4.8
66.10329	0.9
67.05494	2.7
68.37360	0.9
69.03424	14.2
69.07059	3.8
70.06582	2.6
71.04979	2.1
71.60203	1.6
73.02898	3.4
79.05490	2.7
81.03413	4.3
81.07047	5.5
83.04971	1.3
83.08620	2.8
85.02899	63.0
85.06545	2.3
86.09694	1.6
87.04457	3.4
91.03935	5.9
91.05486	2.5
93.07021	5.0
95.04969	14.4
95.08596	7.2
97.02882	22.1
97.06506	1.5
99.04447	3.5
105.07034	5.5
107.04945	2.3
107.08588	9.2
109.02882	6.4
109.06493	6.3
109.10165	4.0
113.05973	2.1
115.03932	3.5
119.04959	1.9
119.08575	6.6
121.06480	1.9
121.10104	5.0
123.04460	1.5
123.08047	1.6
123.11717	2.9
127.03909	21.2
131.08514	1.5
133.04968	4.1
133.10129	6.8
135.08049	10.0
135.11676	2.5
137.06042	1.8
139.03893	1.1
139.07533	1.8
145.04947	33.2
145.10153	1.1
147.04407	8.0
147.11668	11.0
149.09586	1.4
149.13248	2.0
150.41335	1.0
153.01796	5.9
153.09105	1.0
161.06050	1.1
161.13263	1.5
161.86832	0.9
163.03909	1.2
163.05998	15.6
163.07233	1.6
163.14743	2.5
165.12737	52.5
167.07004	1.3
171.06514	1.1
173.13275	4.0
177.05424	1.6
189.12703	1.2
191.14285	24.9
203.17955	8.5
205.07159	1.3
207.13747	1.8
209.15352	100.0
221.18964	2.3
325.11261	2.0
353.19495	2.9
371.20642	14.4
527.28552	1.1
550.22626	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1028
Annotation	Quercetin 3-O-(6-O-malonyl-beta-D-glucoside)
Peak:m/z	Relative Intensity
53.03740	0.2
53.03943	1.6
54.29091	0.1
54.82306	0.1
55.01863	1.7
57.03436	1.1
58.99179	0.1
61.02926	1.0
65.03919	0.1
68.99786	1.3
69.03424	6.2
69.33284	1.6
71.04970	0.7
73.02914	1.5
77.76919	0.1
81.03409	7.9
85.02897	11.9
87.00822	5.0
91.03931	0.5
93.03371	0.3
95.04935	0.2
97.02277	0.3
97.02883	4.3
99.04440	3.0
104.08515	0.2
105.01855	3.3
105.45279	0.1
109.02867	6.6
111.00811	1.2
117.01836	0.9
121.02881	0.8
123.04397	0.4
127.03907	9.7
128.44518	0.1
129.01845	0.9
135.04414	0.2
137.01344	0.2
137.02335	3.1
137.03412	0.2
137.05872	0.2
145.04933	3.2
147.02846	0.5
149.02350	0.6
153.01808	4.2
155.04906	0.2
159.02873	4.6
161.05946	0.4
163.03862	0.7
165.01831	1.8
166.02599	0.3
173.05977	0.5
177.03987	0.2
177.05418	0.3
183.02879	0.7
183.04375	0.3
187.03975	0.3
192.04337	0.1
193.01332	0.3
195.02881	0.3
201.05438	1.7
205.04880	0.2
207.02951	0.2
213.03857	0.4
219.06459	0.3
229.04935	4.4
231.04971	1.6
247.05983	0.6
257.04434	2.5
274.04767	0.8
275.05389	0.2
285.03906	1.1
286.04626	0.2
302.03873	0.2
303.04959	100.0
304.05341	0.9
345.05908	0.3
411.07312	0.2
551.20709	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.2
55.05506	25.5
57.03426	15.7
67.05499	83.6
69.07062	32.9
70.37659	9.5
70.38071	18.7
71.04999	7.6
78.68661	4.5
79.05496	44.1
81.03388	5.0
81.07053	100.0
83.04992	6.2
83.08619	18.0
91.05486	31.7
93.07028	54.5
95.04985	10.0
95.08606	89.9
97.06537	16.9
97.10175	6.6
105.07014	23.7
106.42024	5.4
107.08585	25.3
109.06477	9.2
109.10164	32.9
119.08573	28.2
121.10144	29.4
123.11737	8.6
131.08566	9.3
133.10146	21.4
135.11661	14.4
145.10173	11.4
147.11678	8.9
149.13245	9.6
159.11781	12.3
161.13249	18.9
173.13214	5.2
179.14348	7.6
243.21150	8.8
253.18024	22.4
261.22180	19.0
271.19061	23.0
279.23080	6.0
335.25690	33.4
353.26947	11.3
439.35532	6.1
457.36670	5.7
513.40161	5.7
522.74286	6.4
531.40387	32.5
549.34192	7.3
549.41113	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	549.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.05507	26.3
57.03437	7.6
57.07053	3.7
64.31197	3.2
67.05174	5.4
67.05505	82.2
69.07077	28.6
71.04983	13.3
72.90971	3.6
78.31204	4.2
79.05483	39.4
81.03412	6.9
81.07055	100.0
83.04944	4.7
83.08623	24.1
85.06548	6.0
91.05473	36.7
93.07034	56.7
95.04975	7.3
95.08605	91.9
97.06529	14.3
97.10173	6.6
103.50410	4.3
105.07016	32.1
107.08588	24.5
109.10154	31.2
111.08051	6.3
116.58570	3.7
117.06995	6.7
119.08602	32.0
121.10146	26.1
123.08039	5.2
123.11722	8.1
131.08563	11.9
133.10126	21.4
135.11687	18.2
137.13217	6.5
145.10115	11.3
147.11655	10.7
149.13199	9.4
157.10120	5.2
159.11691	9.1
161.13283	28.6
161.78392	4.3
163.14857	4.7
173.13252	5.3
179.14346	23.1
216.95285	3.6
243.21167	5.4
253.17886	18.5
261.22046	20.3
267.70853	4.0
269.17462	4.7
271.19046	19.9
279.23260	5.0
335.25790	53.7
339.62924	4.2
353.26852	6.5
439.35870	9.3
494.39346	4.2
513.39581	7.7
531.40460	42.1
549.41461	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	549.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28117	0.8
52.24952	1.0
53.03956	1.9
55.01875	2.0
55.05507	25.1
55.51646	0.9
57.03437	6.0
57.07063	2.4
65.03931	1.2
67.05498	41.1
68.66119	0.8
69.03411	2.4
69.07063	29.1
69.36196	9.7
71.04992	4.7
71.08625	3.0
71.61171	0.9
72.81596	1.1
79.05483	23.4
81.03415	31.0
81.07050	43.7
83.04977	7.5
83.08611	24.8
85.02905	15.2
85.06561	2.2
85.10191	1.4
91.05473	22.6
93.07036	20.9
95.04965	14.1
95.08595	27.7
95.35517	0.9
97.06525	3.2
97.10162	11.0
98.21609	1.1
99.08085	1.8
105.07025	18.4
107.04969	3.0
107.08584	15.4
109.06498	3.2
109.10146	23.2
111.04494	1.0
111.08080	5.8
111.11725	2.7
113.06043	2.3
117.07047	1.7
119.08568	10.9
121.10137	12.3
123.08053	1.4
123.11676	4.9
124.34897	1.0
125.09698	1.2
129.06990	5.2
131.08549	5.6
133.06505	1.8
133.10107	18.2
133.11067	1.2
135.11690	7.2
142.07825	1.8
145.10091	1.6
147.08098	1.0
147.11656	8.1
149.09612	2.3
149.13264	3.5
151.11156	5.9
151.14818	1.2
157.10155	6.9
165.12737	1.3
169.12242	2.5
173.13210	2.1
175.11177	6.6
185.88229	0.9
193.12241	24.5
198.74573	0.9
211.13271	36.5
211.15253	1.9
247.24228	1.6
249.14969	1.3
253.11864	0.8
253.14313	21.3
261.22064	4.7
265.25131	4.9
267.15881	5.8
271.15332	5.2
297.44958	0.9
335.25729	4.8
339.28812	4.6
411.03409	1.0
513.35858	1.9
514.42725	1.2
531.41711	5.0
549.41498	100.0
550.41534	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	549.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70271	3.0
53.03924	3.9
55.01869	6.3
55.05502	11.7
57.03430	12.8
57.07082	5.5
62.27613	3.2
62.90359	3.2
67.05499	73.9
69.03411	3.4
69.07071	23.4
71.04974	6.5
72.46883	3.8
73.21751	3.4
79.05494	33.2
81.03417	5.6
81.07048	86.1
82.48978	3.4
83.04963	8.8
83.08607	10.9
85.06542	6.5
90.80780	3.3
91.05476	49.7
93.07038	48.0
95.04942	6.9
95.08601	46.5
97.06509	7.5
97.10120	4.2
105.07018	37.6
107.08581	54.8
109.06541	6.1
109.10146	70.7
113.05995	3.1
117.07023	3.6
119.08572	9.9
121.10136	15.6
123.11712	14.8
131.08527	9.2
133.10123	81.8
135.11682	14.2
145.10115	9.3
147.11665	6.6
149.13216	9.7
151.07509	3.5
151.11194	34.8
159.11693	9.7
159.86665	3.2
163.14851	4.1
169.12196	7.7
173.13249	6.2
175.14880	4.1
243.20998	4.3
253.14340	100.0
261.22067	29.8
271.15344	36.5
282.32178	3.1
314.93402	3.8
317.24796	6.2
321.07492	3.1
335.25739	38.2
362.64816	3.6
457.33368	4.5
513.35529	11.4
531.36755	42.7
549.39227	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79871	0.9
53.03929	2.9
55.01865	3.7
55.05506	26.5
56.56727	1.0
57.03426	8.0
57.07074	7.5
62.63853	0.9
65.03931	2.3
67.05498	53.5
69.03397	2.5
69.07060	32.3
70.17793	3.5
70.18209	1.7
71.04985	4.7
71.08624	4.0
79.05063	1.7
79.05493	24.7
81.03410	29.0
81.07053	51.6
83.04983	8.4
83.08616	26.7
85.02900	15.1
85.06543	4.1
91.05474	28.5
93.07037	27.7
95.04965	18.1
95.08601	36.5
95.09226	1.2
96.08939	1.2
97.02901	1.7
97.06515	4.2
97.10152	12.0
99.04446	1.4
101.06068	1.3
103.87589	1.0
105.07020	26.2
107.04932	2.1
107.08585	24.5
109.06508	4.1
109.10149	31.7
111.04420	1.4
111.08071	5.0
111.11713	2.5
113.06027	2.1
117.07024	2.5
119.08564	10.5
121.10129	16.1
123.08059	1.8
123.11704	10.0
125.09656	1.4
127.07497	1.2
129.05469	1.3
129.06987	3.9
131.08574	7.8
133.06444	1.3
133.10124	30.3
133.11082	2.2
135.11705	8.7
135.93684	1.0
137.13284	1.9
145.10117	3.7
147.08104	2.2
147.11702	6.4
149.09645	4.0
149.13255	4.1
151.11171	11.2
151.14819	1.2
157.10153	5.9
159.11714	2.3
161.13264	1.9
161.81610	1.0
163.14845	1.9
165.12767	1.5
169.12222	2.7
173.13284	1.2
174.45047	1.1
175.11205	6.3
187.14784	1.1
193.12234	24.9
210.41910	0.9
211.13283	34.1
215.12811	1.6
240.08572	1.3
243.21182	2.5
244.12802	1.2
247.24141	1.8
249.14665	1.3
253.14331	35.3
254.09616	1.0
260.10690	1.1
261.22110	10.1
265.25357	4.6
267.15945	5.3
271.15393	11.7
279.23212	2.4
293.09567	1.1
335.25735	10.4
339.29004	4.6
439.31949	1.4
457.37103	1.8
511.32925	1.0
513.35803	3.4
522.17853	1.1
531.37354	6.1
549.41510	100.0
550.65082	1.1
560.87933	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03469	0.9
54.87425	0.4
55.01864	0.6
58.06591	0.8
61.02922	0.6
68.83952	0.4
68.99786	1.2
69.03432	1.3
70.06589	100.0
70.13155	1.7
71.04970	0.3
71.06915	0.4
79.05477	0.7
81.03422	1.0
81.07038	0.6
81.18146	0.4
85.02885	2.3
91.05475	1.6
95.04932	0.6
97.02872	1.1
101.60093	0.4
103.05438	0.8
105.07058	0.4
107.04969	1.0
109.02856	0.4
114.41241	0.3
115.18602	0.4
119.04943	2.3
121.06467	2.6
123.04424	16.4
131.04906	0.6
135.04408	3.2
135.96681	0.4
136.91582	0.4
137.95171	0.4
139.03922	0.5
147.03230	0.7
147.04393	10.9
149.05963	6.3
151.03963	0.4
151.25031	0.4
153.01884	0.7
159.04420	1.1
161.05989	1.3
163.03934	0.6
165.05481	6.8
173.06020	0.4
175.07581	1.5
177.05460	91.4
178.05707	0.8
189.05487	0.9
207.06502	1.5
208.14928	0.5
219.06487	0.6
224.09140	1.0
234.11272	6.2
250.58565	0.5
275.01782	0.5
277.03543	1.8
279.91638	0.3
285.00308	0.6
303.01431	2.3
304.01813	0.5
311.09045	0.8
329.10165	16.8
381.39011	0.4
386.15878	4.1
396.16922	1.8
548.21259	74.1
549.21509	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.4
57.03435	3.6
57.07076	2.2
62.06064	0.5
63.10161	0.4
65.03931	0.4
67.05164	0.5
67.05500	5.6
67.71938	0.4
69.07059	6.5
71.04987	1.6
71.08630	2.9
71.61830	0.4
74.09715	0.4
79.05489	3.1
81.07052	8.0
82.69124	0.4
83.04950	0.8
83.08612	3.4
85.06523	1.3
86.09725	0.6
91.05476	2.3
93.07034	6.4
94.07394	0.4
95.04949	1.0
95.08601	9.3
95.73826	0.4
97.06520	2.5
97.10157	1.6
98.98468	2.8
99.08087	1.0
101.13715	0.4
105.07028	3.1
107.08582	10.2
109.06509	3.5
109.10146	5.0
111.08083	2.2
119.08578	3.5
121.10139	7.8
123.08054	11.9
123.11700	2.3
125.09608	0.5
128.06216	0.4
131.08545	0.8
133.10121	2.7
135.07997	0.9
135.11670	2.2
137.09610	1.7
137.13258	0.9
145.10104	1.1
147.11664	1.1
149.09567	0.6
149.13248	2.3
159.11789	0.5
161.13271	0.9
163.11191	0.3
163.14781	1.1
165.12740	0.5
165.16415	0.5
167.14297	1.8
173.02126	0.4
175.14821	0.9
177.16386	3.2
179.14307	14.8
184.07353	2.4
189.16386	0.8
193.15846	0.7
198.05475	0.4
216.06252	0.8
220.04213	0.4
235.02869	0.4
263.20190	0.6
277.21649	3.3
291.23279	1.1
293.21091	0.5
305.28421	1.1
315.26752	0.5
333.27869	16.1
349.27371	0.9
351.28894	6.2
363.82938	0.5
371.29425	1.0
376.32065	1.2
389.30533	2.4
407.31537	100.0
408.31979	0.9
487.28299	1.0
505.29129	2.1
548.40131	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3997
Annotation	Oogoniol 1
Peak:m/z	Relative Intensity
53.03939	4.9
55.01868	3.7
55.05507	23.3
57.03434	14.4
57.07077	9.6
59.04010	2.4
64.37492	2.4
65.03925	3.2
65.55428	2.2
67.05502	78.5
68.05836	3.2
69.07067	27.8
71.04985	6.1
71.08621	3.0
79.05493	49.7
80.05806	2.9
81.03429	10.1
81.07058	84.4
82.07411	3.1
83.04989	6.4
83.08168	3.4
83.08613	19.0
85.02917	4.1
85.06532	3.2
89.75210	2.2
91.05480	41.7
92.05801	3.1
93.07043	60.4
95.04957	14.7
95.08598	57.2
96.05322	2.9
97.06532	10.3
97.10168	4.2
98.21477	7.5
105.07019	28.2
106.68759	2.4
107.04998	3.7
107.08591	39.1
109.06538	3.8
109.10145	28.8
111.08111	4.9
115.92319	2.4
117.07010	13.5
119.08569	31.5
121.06547	3.6
121.10139	28.1
123.04435	3.0
123.08055	3.3
123.11672	11.8
125.09645	2.9
129.06998	4.1
131.08571	25.8
132.08908	2.4
133.10141	21.4
135.11673	19.9
137.13281	5.0
143.08591	8.4
145.10094	18.0
147.11694	14.5
149.09669	5.3
149.13243	18.8
151.11185	2.9
155.08553	3.6
157.10170	8.6
159.11671	15.6
161.13318	9.7
163.14896	4.1
169.10045	2.7
171.11717	7.1
173.11967	3.2
173.13206	10.5
175.14882	3.0
183.11852	3.8
185.13266	4.4
187.14925	3.9
189.16492	2.5
193.12251	5.6
195.13863	5.2
196.99826	2.4
211.13342	3.5
212.13734	4.4
227.12903	2.8
229.14412	4.1
235.13379	3.8
261.22046	15.0
267.15997	5.5
269.17477	23.6
277.21628	2.5
283.19077	2.3
301.25677	3.5
302.25916	2.5
317.25000	5.2
335.25775	25.1
337.26627	2.4
375.28882	3.3
379.37973	2.4
415.60693	2.6
419.32709	3.2
437.34164	8.6
455.35245	10.2
473.35873	11.4
475.34448	4.1
503.37503	6.9
511.38120	6.2
529.38812	100.0
547.39758	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	547.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01860	2.6
55.05510	17.0
56.31531	0.7
57.03429	6.0
57.07073	3.9
59.04995	0.7
59.62419	0.7
65.03940	2.2
65.77728	0.7
66.16206	0.9
67.05501	51.8
69.03424	2.2
69.07065	13.6
70.43018	2.7
71.01363	0.9
71.04994	4.8
71.08612	1.7
79.05488	21.7
81.03415	26.2
81.07053	50.5
83.04977	5.5
83.08611	16.2
85.02891	11.9
85.06541	1.5
85.10191	1.0
91.04904	1.1
91.05473	21.8
93.07040	23.1
95.04960	15.0
95.08601	33.0
97.06511	5.0
97.10178	5.4
98.23920	0.8
105.07022	18.6
105.07678	1.4
107.04952	3.2
107.08593	12.3
108.55523	0.8
109.06514	3.2
109.10143	15.0
111.04456	1.8
111.08086	5.2
111.11648	1.0
115.05421	0.9
117.07011	2.8
119.08582	13.2
121.06485	1.1
121.10124	8.9
121.41946	0.8
123.04483	1.0
123.08080	1.5
123.11685	5.4
125.09617	1.5
129.06985	5.0
131.08546	8.0
133.06522	1.8
133.10124	10.2
135.08040	1.1
135.11676	5.3
137.09662	1.7
137.13248	2.4
140.68350	0.7
142.02715	0.8
142.07764	1.7
143.08565	1.5
145.10133	2.8
147.08034	1.5
147.11690	8.9
149.09616	2.4
149.13275	2.8
151.11211	1.7
151.14874	0.8
153.12759	0.8
157.10127	5.6
159.11684	1.4
161.13252	2.9
163.11191	1.1
163.14851	2.3
165.12764	2.0
173.13249	1.2
175.11191	6.1
175.14832	2.0
191.07130	0.9
193.12225	22.8
193.15863	1.1
199.14853	0.9
199.94394	0.8
201.16341	1.0
211.13277	30.1
235.13297	2.0
237.40242	1.0
245.22650	1.7
263.23697	3.7
267.15936	6.7
272.19196	0.8
303.26801	1.5
337.27393	7.0
437.33765	2.2
455.35162	3.1
473.36395	2.2
511.37442	1.1
529.38910	14.5
547.39917	100.0
548.39496	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3989
Annotation	Oogoniol 1
Peak:m/z	Relative Intensity
53.03946	4.5
55.01876	2.2
55.05504	23.3
57.03432	12.4
57.07071	3.0
63.82735	1.5
65.03954	3.9
67.05499	80.1
69.07063	29.1
70.28683	6.5
70.64552	1.4
71.04993	5.9
79.05487	48.3
81.03413	2.7
81.07050	98.1
83.04993	4.7
83.08610	16.5
85.06557	5.8
91.05469	33.6
91.05991	1.9
93.07038	67.8
95.04959	7.3
95.08601	53.8
97.06535	7.5
97.10196	3.3
99.08083	3.1
105.07026	31.1
105.07674	2.5
107.08587	40.6
107.09280	2.3
109.06500	2.6
109.10157	23.9
111.08099	3.4
117.07006	10.7
119.08583	27.7
121.10126	30.3
121.10900	1.9
123.08082	2.5
123.11695	9.2
125.09679	2.0
129.07030	4.6
131.08542	22.2
131.09329	1.5
133.10112	22.7
135.11681	20.9
137.13300	2.6
139.11217	2.1
143.08612	7.6
145.10106	17.8
147.11668	15.3
149.09654	2.9
149.13252	25.4
155.08536	2.7
157.10170	8.0
159.11676	17.2
161.13219	9.9
163.14877	5.1
165.12759	1.5
167.14464	1.7
169.10156	3.3
171.11746	6.0
173.13202	10.3
175.11223	1.8
175.14784	3.4
177.12798	5.0
185.13316	5.0
187.14749	7.4
195.13812	8.7
197.13382	2.8
199.14835	3.4
201.16542	2.1
209.13281	2.2
223.14879	1.9
229.14406	4.0
243.21162	3.6
247.20680	1.8
259.20761	4.9
261.22128	18.8
267.15991	3.5
269.17462	32.7
277.21860	2.1
280.08481	1.4
287.23788	2.8
299.23706	2.1
301.25415	4.6
303.26981	1.6
317.25003	4.3
333.24289	2.7
335.25787	32.3
357.28168	1.7
375.29318	2.6
380.18750	1.6
419.33121	2.2
437.34128	11.5
455.35208	8.5
473.36298	9.0
475.35535	1.9
503.37466	6.8
509.84225	1.5
511.37817	4.6
529.38861	100.0
547.40015	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	547.1596
Annotation	Fisetinidol-(4alpha->8)-afzelechin
Peak:m/z	Relative Intensity
53.03938	1.1
55.01870	1.6
65.03928	1.3
65.81475	0.6
68.99796	2.7
69.97262	2.7
76.51410	0.7
78.71819	0.6
79.05485	1.4
81.03414	0.8
85.02918	0.8
91.05475	3.9
95.04968	2.8
98.21398	1.0
103.05458	1.0
107.04948	100.0
108.05264	1.1
111.00817	2.2
111.04442	2.3
119.04931	38.3
121.02867	3.1
121.06493	1.0
123.04443	4.1
127.03868	3.2
131.04929	1.8
133.06503	4.2
135.04436	0.9
137.02354	0.6
139.03896	28.4
145.06461	9.1
147.04398	38.1
149.02362	5.9
149.05972	8.1
151.03886	9.6
157.06441	3.1
159.04457	0.8
159.07974	1.0
161.06003	4.8
163.03912	5.4
165.05476	1.2
165.06961	0.6
167.03401	13.4
169.06390	1.4
171.04407	9.7
171.08034	0.9
173.05978	0.8
175.03893	2.0
177.05531	2.1
179.03387	8.2
181.06467	1.7
183.08005	0.8
185.06003	2.8
187.03851	0.8
187.07526	3.1
189.05443	7.2
191.03372	11.0
191.07034	2.3
193.04955	3.2
197.05980	1.3
199.07536	2.3
201.05484	2.6
203.03378	8.8
205.04976	1.1
207.06505	0.8
213.05452	4.0
215.03271	0.7
215.07106	1.1
217.05014	1.2
227.07001	3.5
229.04926	3.3
231.06502	18.8
233.04462	4.2
239.07077	2.2
243.06523	8.6
245.04413	7.4
245.08034	3.9
251.05406	1.0
255.06512	12.6
257.04437	8.3
257.08127	2.3
259.05969	0.9
267.06476	6.3
269.04449	3.3
269.07712	0.7
271.06039	0.9
273.07550	24.7
275.05533	14.5
275.09134	16.6
285.07520	14.3
287.05530	28.5
287.09018	3.1
299.05563	3.5
311.05377	0.7
379.11911	3.7
393.09628	26.4
394.10010	0.8
403.11758	1.4
405.09674	1.9
408.12766	0.6
411.10623	6.8
421.12933	0.9
423.10724	2.7
483.96140	0.8
547.22461	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.01863	2.5
55.05505	15.0
57.03428	4.0
57.07063	1.3
59.04981	0.8
65.03946	2.0
67.05499	35.5
69.03413	2.2
69.07056	9.6
69.58362	5.9
71.04980	3.5
71.08602	0.8
75.81747	0.8
77.03902	0.9
79.05487	34.9
81.03410	26.5
81.07050	36.0
83.04969	5.2
83.08615	14.0
85.02892	14.0
85.06536	1.7
91.04897	1.4
91.05473	28.2
93.07035	33.8
95.04964	14.5
95.08598	24.9
97.02878	1.4
97.06512	4.5
97.10150	5.5
98.21523	1.3
99.08113	1.0
105.04501	1.3
105.07023	21.8
105.60793	0.7
107.04953	2.1
107.08582	15.9
109.06514	3.1
109.10141	8.2
111.04423	1.6
111.08068	5.0
113.06015	1.2
115.05428	1.0
117.06982	4.7
119.08570	16.9
121.06522	1.5
121.10130	13.6
123.08047	1.5
123.11712	2.9
125.09602	3.4
129.07001	6.0
131.08546	10.7
133.10124	10.4
135.07986	1.0
135.11699	6.6
137.09595	2.1
142.07767	1.5
143.08577	2.3
145.10132	6.9
147.08063	1.8
147.11662	10.6
149.09619	2.5
149.13225	3.6
150.69298	0.7
151.11188	1.2
155.08482	1.7
157.10114	7.6
159.11710	4.5
161.13210	2.3
163.11174	0.8
163.14845	1.2
165.12708	1.2
169.10121	1.4
171.11658	2.4
173.13249	4.6
175.11171	5.7
185.13272	1.8
187.14755	1.4
189.11177	1.4
193.12224	24.4
193.36847	0.7
195.11720	1.0
197.13203	1.5
201.16368	0.9
209.13400	0.9
211.13269	28.7
211.15219	1.5
227.12778	2.7
229.14290	1.0
243.16130	0.8
243.21161	1.2
243.89778	0.8
249.14880	0.9
261.22128	3.5
267.15811	4.8
285.22250	1.8
287.20087	0.7
287.53210	0.9
298.69806	0.8
299.23557	1.0
301.25308	2.9
303.23007	1.1
317.24609	1.3
335.25827	4.1
376.60672	0.7
417.31454	0.8
435.32642	2.0
453.33646	3.2
471.34750	2.4
509.36179	1.3
527.37268	15.5
528.37720	1.1
545.38312	100.0
546.38647	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	546.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	19.6
55.05502	38.0
57.03447	33.1
67.05501	59.0
69.03436	10.5
69.07064	23.6
69.29725	39.9
69.30149	34.0
71.05004	13.6
79.05495	64.0
81.03414	86.1
81.07058	55.6
82.04199	6.8
83.04980	30.3
83.08622	33.8
85.02898	36.2
91.05474	45.8
93.07031	39.3
94.07333	7.7
94.48265	6.2
95.04974	59.4
95.08623	18.7
97.02890	14.6
97.10181	17.9
98.20630	9.6
105.07012	42.9
107.04960	20.5
107.08612	22.6
109.06496	14.8
109.10168	16.6
111.08087	19.6
116.04752	12.5
119.08573	36.1
121.10071	15.4
123.08104	9.5
125.09628	16.7
129.05467	32.9
129.06956	15.8
131.08569	24.1
133.10141	25.9
135.11636	8.9
136.12935	6.4
143.07121	8.3
147.08009	8.4
147.11682	27.0
157.08717	8.7
157.10121	18.7
161.20670	6.0
165.12837	10.6
166.07303	6.7
167.58549	7.3
174.75682	6.5
175.11208	23.3
179.14317	12.1
189.11180	11.9
193.12227	56.2
199.13423	7.4
211.13298	100.0
227.12688	12.7
239.39426	7.2
267.15921	35.8
283.15530	7.5
285.16980	88.4
301.16479	87.3
314.52988	6.8
337.37543	8.0
405.30014	43.4
420.93362	10.2
436.00778	7.5
450.15399	7.2
459.27203	8.0
493.27689	10.8
511.29123	39.2
546.22858	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	545.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01857	1.8
55.05505	15.1
57.03442	4.7
57.07039	0.9
65.03931	1.7
65.81207	0.7
67.05501	31.8
69.03426	2.9
69.07063	9.0
71.01335	0.8
71.04985	3.4
72.46907	0.8
79.05488	32.3
79.15398	0.9
81.03415	25.9
81.07049	36.1
83.04968	7.5
83.08617	14.1
83.44013	0.8
85.02895	12.7
85.06540	1.5
91.04908	1.2
91.05474	25.9
93.07037	32.5
95.04960	14.6
95.08601	22.7
97.02876	1.3
97.06520	3.2
97.10178	5.5
99.08076	1.4
101.51546	0.7
102.49010	0.8
105.07027	19.4
107.04945	3.1
107.08582	13.9
109.06501	3.5
109.10130	7.7
109.10714	0.7
110.79200	0.7
111.04446	1.0
111.08073	6.3
112.19493	0.7
113.05936	1.1
115.05424	0.9
117.07005	5.6
119.08579	18.2
121.06452	1.2
121.10135	17.6
123.08054	1.9
123.11687	1.7
125.09612	3.0
128.19780	0.8
129.06998	7.0
131.08556	11.9
133.06461	0.8
133.10121	10.3
135.11658	7.2
137.09627	1.9
142.07791	1.1
143.08557	2.3
145.10088	7.0
147.08064	1.4
147.11688	10.8
149.09604	2.6
149.13228	3.5
151.11160	0.9
157.10138	7.1
159.11656	5.2
161.13249	3.0
163.11136	0.9
163.14822	0.9
165.12698	1.2
169.10168	1.0
171.11682	2.6
173.11935	0.9
173.13231	4.1
175.11168	7.0
175.14784	2.7
177.76352	0.7
183.11681	1.5
185.13275	1.8
187.14792	1.3
189.11209	1.8
193.12234	27.0
211.13275	34.9
227.12775	3.3
243.21101	1.2
247.16652	0.9
249.14819	1.0
261.22150	5.7
267.15875	6.2
285.22052	1.4
301.25217	4.2
303.23071	1.1
317.24777	1.9
335.25781	3.2
359.25812	1.0
435.32700	3.8
453.33554	2.3
471.34714	2.0
509.36313	1.2
527.37268	15.3
530.46106	1.0
545.38318	100.0
546.38733	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	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28191	1.2
53.03940	3.2
55.01857	4.0
55.05510	24.8
57.03444	8.1
57.07069	3.6
65.03931	2.0
67.05502	48.4
68.97955	1.1
69.03423	3.4
69.07066	13.6
71.04988	3.7
79.05490	32.1
81.03413	20.9
81.03854	2.2
81.07054	43.5
83.04976	4.7
83.08627	14.5
85.02890	2.2
85.06509	1.7
91.05477	25.6
93.07034	30.4
95.04960	17.1
95.08601	31.1
95.09164	2.3
97.06556	3.8
97.10169	16.2
100.22149	1.2
105.07024	27.0
107.04980	6.3
107.08584	20.5
109.06535	4.1
109.10149	19.6
111.08097	4.3
117.07001	10.7
119.08585	19.9
121.06496	8.0
121.10126	12.6
123.08086	4.1
123.11716	4.7
125.09628	10.4
126.79082	1.2
128.06284	1.6
129.07001	8.3
131.08549	17.0
133.10117	15.7
135.08066	4.5
135.11670	7.7
137.09599	3.7
137.13293	1.9
138.82217	1.3
142.07756	1.9
143.08589	5.3
145.06474	1.4
145.10120	14.5
147.08101	2.4
147.11685	9.6
149.09618	3.9
149.13297	3.8
151.11172	1.4
155.08556	2.7
157.10126	7.1
159.11687	11.9
161.09567	1.5
161.13226	6.0
163.11171	1.5
163.14813	2.4
165.12779	1.3
169.10178	3.4
171.11729	5.6
173.13234	6.7
175.11238	3.3
175.14772	3.0
177.12733	1.5
183.11678	3.0
185.13274	5.9
187.14861	4.9
189.11272	9.7
193.12215	9.3
195.11697	1.5
197.13263	2.6
199.14844	3.6
205.15881	1.4
211.13239	2.9
211.15022	1.6
213.16444	1.9
215.17921	1.4
220.08832	1.3
227.12756	13.5
229.64835	1.7
243.15916	2.4
243.21112	3.3
247.16840	1.7
249.14793	1.8
261.22083	10.4
267.15891	20.1
275.20142	1.7
279.19388	1.6
279.23230	3.5
281.21011	1.7
283.24225	1.7
285.22321	3.4
296.17462	1.2
299.23630	1.6
301.25226	15.7
303.23312	2.0
315.23288	1.5
317.24951	2.2
335.25793	16.8
359.25775	2.6
417.31512	3.1
421.25891	4.6
435.27292	3.4
435.32767	4.6
449.29022	2.1
453.33743	14.3
471.34689	10.0
509.36319	3.9
527.37280	54.7
528.37555	3.2
545.38342	100.0
546.38641	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	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.7
53.03942	3.2
55.01864	1.6
55.05507	17.7
57.03432	6.7
57.07066	1.2
62.92434	0.7
65.03933	2.6
67.05500	44.6
69.03418	2.3
69.07061	11.8
70.85789	1.3
70.86128	1.3
71.04972	4.0
77.10005	0.6
79.05486	41.4
81.03412	31.4
81.07052	37.7
81.34241	0.7
83.04977	6.1
83.08614	14.0
85.02899	17.3
85.03414	0.8
85.06526	1.5
91.04897	1.7
91.05473	32.3
92.19482	0.7
93.07037	41.8
95.04964	18.5
95.08597	26.1
97.02879	1.5
97.06522	3.7
97.10152	5.8
99.08104	1.5
103.05457	1.1
105.04543	1.1
105.07023	21.2
107.04983	4.0
107.08588	20.3
109.06499	4.7
109.10148	11.0
111.04469	1.3
111.08063	6.0
113.06007	1.7
117.07011	7.6
119.04875	0.9
119.08573	19.9
121.06512	0.9
121.10134	18.8
123.08022	1.7
123.11703	2.6
125.09613	4.3
129.06989	6.2
131.08565	14.0
133.06474	1.6
133.10123	10.8
135.11681	6.8
137.09583	2.0
141.56818	0.8
142.07773	1.5
143.08546	2.0
145.10117	7.6
147.08022	1.5
147.11693	11.7
149.09630	3.2
149.13251	3.1
155.08548	1.3
157.10109	8.0
159.11676	4.1
161.13234	4.0
163.14902	1.0
165.12872	1.6
169.10187	1.1
169.12006	0.6
171.11684	1.7
173.13297	3.1
175.11182	7.0
175.14851	1.5
181.09967	0.7
183.11732	1.4
187.14825	2.1
189.11253	1.0
193.12225	28.5
195.11610	0.7
197.13289	1.2
211.13274	33.2
227.12819	1.4
233.15503	0.7
243.21136	1.7
261.22012	4.5
265.14795	0.8
267.15799	6.0
285.17078	1.3
285.22330	0.9
301.25314	2.0
303.23297	1.0
317.24731	0.9
335.25677	4.7
352.27783	0.8
435.27484	0.9
435.32742	2.3
453.33481	2.8
471.34772	1.9
509.36014	1.2
527.37231	15.1
545.38342	100.0
546.38947	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
54.42500	0.6
55.01855	2.1
55.05263	1.0
55.05508	16.3
57.03435	5.4
57.07057	2.0
59.04976	0.9
65.03938	1.9
67.05499	34.2
69.03435	1.6
69.07064	10.4
69.92842	0.7
69.96786	4.2
71.04977	3.0
71.89155	0.7
72.92100	0.7
73.23826	0.7
76.07925	0.7
79.05486	32.9
81.03410	27.7
81.07051	38.2
83.04976	6.4
83.08611	13.1
85.02899	13.2
85.06537	0.9
91.05473	28.3
93.07036	33.8
95.04965	15.3
95.08598	22.7
97.06512	3.4
97.10154	6.3
98.21400	0.8
99.08104	1.0
100.16448	0.8
105.04507	0.7
105.07027	21.2
107.04971	2.3
107.08598	15.3
109.06500	4.2
109.10148	10.2
111.04427	1.3
111.08080	5.3
113.05993	1.0
115.05463	1.3
117.07005	4.9
117.94604	0.6
119.08570	17.2
120.78479	0.8
121.06519	1.3
121.10134	15.5
121.11002	0.8
123.08063	2.0
123.11710	3.3
125.09609	4.0
129.07007	8.0
131.08565	13.3
133.06467	0.9
133.10129	11.9
135.08138	1.0
135.11688	7.1
137.09566	1.6
141.06967	1.5
143.08551	2.6
145.10112	7.7
147.07988	1.5
147.11670	8.8
149.09625	3.3
149.13261	3.3
157.10110	6.7
159.11681	5.2
161.13254	3.6
163.11157	0.8
163.14803	1.9
165.12712	1.7
169.10135	1.8
171.11761	1.6
173.13191	4.0
175.11182	4.6
175.14793	2.0
183.11736	1.3
185.13217	1.3
187.14838	2.2
189.11215	2.1
193.12238	23.0
197.13278	1.2
199.14867	1.2
200.83240	0.9
211.13263	26.1
213.14792	0.9
215.17914	0.8
223.14885	1.0
225.16356	0.8
227.12775	3.3
243.21185	1.0
261.22141	4.5
266.69415	0.8
267.15863	4.9
285.22122	2.2
301.25406	3.9
317.24780	1.3
335.25906	4.4
359.25824	1.5
387.49719	0.8
417.31827	1.0
431.60315	0.8
435.32507	4.1
453.33627	4.2
471.34396	2.6
509.36261	1.2
527.37317	19.6
531.79407	0.8
545.38330	100.0
546.38611	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09516	0.7
53.03928	3.5
55.01863	2.3
55.05260	1.2
55.05506	18.0
57.03428	7.3
57.07062	2.1
58.71920	0.6
59.55365	0.7
60.91962	0.7
61.74043	0.6
65.03935	2.1
66.17396	0.7
67.05502	43.4
69.03423	3.0
69.07061	12.0
70.67866	2.7
71.04986	4.2
79.05487	40.4
81.03413	31.5
81.07050	41.3
83.04974	6.6
83.08613	15.9
85.02897	13.3
85.06527	2.2
91.05476	32.1
93.07038	42.9
95.04957	17.0
95.08600	22.8
97.02886	1.0
97.06528	3.4
97.10168	5.4
98.45721	0.7
98.88979	0.7
99.08074	1.4
105.07025	20.5
107.04925	3.4
107.08582	19.6
108.49364	0.8
109.06505	4.7
109.10149	10.0
111.04409	1.1
111.08067	5.6
113.05968	1.3
115.05471	1.1
116.06306	0.7
117.06995	6.2
119.04907	0.8
119.08575	17.2
121.06478	1.5
121.10134	19.8
123.08022	1.6
123.11695	3.5
125.09624	3.0
129.06969	6.4
131.08560	13.0
133.06535	1.4
133.10112	11.4
135.08012	0.8
135.11673	8.6
137.09590	1.2
139.11186	0.9
142.07713	1.7
143.08536	2.3
145.10114	7.1
147.08049	2.1
147.09091	0.8
147.11684	11.5
149.09625	3.0
149.13281	4.0
155.08566	1.0
157.10135	8.1
159.11693	5.0
161.13240	3.7
163.14848	1.8
165.12750	1.7
169.10109	0.9
171.11754	2.1
173.13249	3.2
175.11182	7.5
175.14809	2.0
183.11656	1.8
185.13312	1.5
187.14841	2.3
189.11259	1.8
193.12236	28.9
199.14835	1.0
211.13258	33.7
227.12793	1.9
243.21159	1.4
249.14954	0.8
261.22122	4.4
267.15921	5.5
279.23416	1.2
299.23563	0.9
301.21915	1.2
301.25327	2.4
317.24634	1.8
335.25787	5.0
402.25723	0.8
435.32611	2.4
453.33591	3.7
471.34586	2.3
509.36121	1.1
527.37244	16.7
528.37616	0.9
545.38354	100.0
546.38519	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	544.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	29.3
57.07079	10.5
59.04978	0.8
66.78472	0.7
67.05500	10.5
69.07066	18.8
70.51480	2.5
71.04983	1.1
71.08633	2.4
73.06560	5.4
79.05488	2.6
81.07059	15.3
83.08615	57.1
85.02895	1.4
85.06538	1.8
87.04462	5.9
89.06030	100.0
91.05477	2.1
93.07030	1.9
95.04973	0.9
95.08604	17.8
97.02940	1.0
97.10170	19.7
105.07041	1.4
107.04973	1.6
107.07101	5.7
107.08596	1.1
109.10158	11.1
111.04381	0.8
111.08027	0.9
117.09117	3.8
117.71701	0.8
119.08591	2.1
120.46712	0.7
121.10110	0.9
123.04428	1.5
123.11713	2.2
125.09619	0.9
127.03868	0.8
130.08650	3.1
131.07066	1.2
131.08594	0.9
133.08598	55.9
139.14851	2.4
147.04439	1.2
156.13184	0.7
161.11848	1.4
165.16431	0.8
177.11221	26.7
182.81697	1.0
183.51776	0.8
195.12207	0.9
221.13824	6.4
227.20081	10.8
239.14932	2.9
252.23615	0.7
265.16483	0.9
271.22681	7.7
273.15094	1.0
283.17566	4.3
309.19107	1.0
327.20276	2.3
329.24777	0.9
353.21844	0.9
371.22748	12.4
377.29263	0.9
421.31589	2.2
465.34402	1.5
509.36847	40.9
510.36993	1.4
527.37939	3.2
544.33624	1.1
544.40741	3.0
545.30438	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3087
Annotation	CHEBI:69141
Peak:m/z	Relative Intensity
55.05496	0.9
56.96542	2.6
67.05483	1.1
69.03400	0.9
69.07057	1.3
70.06564	2.0
71.60385	1.1
74.79436	0.5
79.05472	0.8
81.07030	1.5
83.04945	0.6
85.02888	1.2
91.05462	1.7
93.07032	1.4
95.04957	1.3
95.08598	1.7
96.16920	0.5
97.02903	0.7
105.07027	2.0
107.04940	1.5
107.08603	1.2
109.10137	1.1
110.97581	0.8
116.98577	0.8
117.03376	0.8
119.04936	1.3
119.08560	1.4
121.06515	0.6
121.10103	1.1
123.04425	1.8
132.38750	0.6
133.10132	0.7
135.11693	0.6
139.03848	1.0
145.10205	0.8
147.04381	1.8
153.01781	0.7
177.05444	1.7
194.96638	0.6
237.02811	1.1
255.06720	0.7
299.15225	0.9
302.56598	0.6
347.18793	0.7
347.22821	0.8
349.20627	1.7
353.23669	1.2
365.23529	2.0
367.21490	1.4
383.23813	1.1
383.27917	1.0
421.09958	0.7
425.25171	0.7
492.77313	0.8
527.28998	1.2
545.30945	100.0
546.30548	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.05508	31.5
57.07069	8.5
57.32125	0.6
67.05504	8.5
69.03401	0.8
69.07062	17.8
69.65038	3.4
69.65446	1.2
71.05003	1.3
71.08615	1.9
73.02909	0.7
73.06545	5.0
77.00251	0.6
79.05478	1.7
81.03429	1.5
81.07041	12.6
81.81895	0.7
83.04944	0.8
83.08613	53.7
85.02920	2.1
85.06521	1.2
85.72581	0.7
87.04475	5.6
89.06024	100.0
91.05479	1.3
91.07578	0.6
93.07060	1.9
95.04905	1.1
95.08601	15.0
97.02894	0.7
97.06485	0.7
97.09534	1.1
97.10163	18.9
97.10777	1.3
105.07030	1.1
107.07050	6.9
107.08582	1.6
109.10146	11.6
117.09129	4.2
119.08590	1.2
121.10101	0.9
123.04410	1.0
123.11695	2.7
130.08626	3.0
131.07062	1.6
133.08594	57.9
135.10117	0.8
137.13257	1.2
139.03896	0.8
139.14784	1.1
141.05458	0.6
145.10103	0.8
147.04460	0.8
151.09624	1.7
157.10323	0.9
161.11688	1.6
165.16447	1.4
175.09729	1.3
177.11214	24.8
195.12294	1.5
221.13799	5.9
227.20023	12.1
239.14772	3.2
245.21289	1.1
265.16446	1.6
271.22650	9.9
283.17517	5.6
289.23517	0.9
309.19064	0.9
327.20221	3.2
333.26419	1.6
365.23425	0.8
371.22705	12.6
371.27087	1.0
377.29041	1.2
421.31793	3.2
465.34204	2.1
509.36826	41.9
527.37952	4.0
544.32159	2.0
544.40521	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	543.3677
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
52.78184	0.4
53.03939	0.9
55.01853	1.4
55.05505	9.6
57.03433	2.1
57.07064	1.1
65.03922	1.0
67.05497	14.6
69.03429	1.3
69.07061	5.5
69.96677	1.0
69.97066	1.0
71.04981	1.3
76.04721	0.5
79.05484	10.9
81.03414	3.6
81.07050	14.3
83.04979	1.8
83.08606	5.1
85.06548	0.7
88.87064	0.5
91.05472	11.3
91.52331	0.4
93.07037	10.4
95.04945	3.9
95.08595	8.2
97.06519	1.5
97.10145	4.7
98.20815	0.6
99.08044	0.5
103.05453	0.5
105.07021	10.7
105.07673	0.8
107.04932	1.6
107.08590	8.1
109.06502	1.9
109.10141	6.4
111.08078	1.2
115.05473	1.1
116.06093	0.5
117.07006	7.1
119.08572	8.6
121.06490	2.4
121.10121	4.1
123.08058	1.0
123.11713	1.4
125.09615	4.5
128.06247	1.4
129.07007	5.6
130.49501	0.4
131.04893	0.6
131.08559	10.0
133.06502	1.2
133.10114	5.3
135.08047	1.7
135.11678	2.0
137.09581	0.7
141.06984	1.9
141.12721	0.6
142.07761	1.4
143.08545	6.8
145.06459	2.1
145.10109	9.2
147.08044	1.5
147.11644	3.7
148.92850	0.5
149.09613	1.2
149.13200	1.1
151.11179	0.5
155.08521	3.8
156.09337	1.0
157.06436	0.5
157.10107	5.4
159.08014	3.0
159.11674	5.8
161.09587	0.9
161.13249	2.0
163.11160	1.2
165.06958	0.5
167.08536	2.4
169.10110	5.0
171.08069	1.0
171.11699	5.7
173.01799	0.4
173.09645	2.2
173.11853	0.8
173.13203	3.4
175.11217	1.4
175.14850	0.7
179.08511	0.5
180.09325	0.6
181.10095	2.1
183.08112	0.5
183.11688	4.2
185.09625	1.2
185.13263	4.2
187.11185	1.4
187.13260	0.5
187.14812	2.0
189.11182	1.7
189.12715	0.5
193.10353	0.4
193.12280	1.7
195.11632	2.5
197.13313	3.6
199.11156	1.2
199.14763	2.6
201.12750	1.0
201.16377	0.5
207.11604	1.2
209.13211	2.2
211.14894	1.6
213.12747	1.2
213.16380	1.0
215.14375	0.5
221.13333	0.8
223.14772	1.4
225.16316	0.7
227.12778	1.8
229.14308	0.5
235.14845	1.0
241.19478	0.7
257.19006	0.6
259.20575	2.1
261.18649	0.6
265.19629	0.8
267.15967	1.8
271.20691	0.5
275.20139	0.8
281.22711	0.5
283.20599	1.6
297.22137	1.2
299.20688	0.8
299.23560	2.9
301.21628	0.7
307.20337	0.6
309.99988	0.5
311.20139	0.6
313.21552	1.1
315.23221	1.1
322.80115	0.4
325.21628	1.0
327.23013	0.8
333.24347	1.2
335.23837	0.8
339.23236	1.1
353.24738	0.5
357.24387	1.5
367.26392	0.6
405.31494	1.2
415.29968	1.2
417.26505	0.7
421.26007	1.0
423.32547	1.5
433.30984	5.0
435.27698	0.6
447.67154	0.6
451.31973	8.1
469.33182	3.6
487.34396	0.9
499.34265	0.6
507.34824	1.6
515.37128	2.0
525.35724	17.6
543.36792	100.0
544.37274	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3678
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
51.02384	0.5
53.03939	1.0
55.01868	1.8
55.05509	10.2
57.03435	2.9
57.07076	0.7
59.04985	1.0
65.03932	0.7
67.05501	17.4
69.03419	0.8
69.07063	5.8
69.92403	1.6
71.04991	1.7
79.05055	0.8
79.05492	11.8
79.05952	0.6
79.77657	0.4
81.03412	4.2
81.07053	15.1
83.04984	2.1
83.08620	7.1
85.06530	1.0
91.05476	11.6
91.06063	0.4
93.07041	11.7
95.04955	5.3
95.08601	9.0
97.06541	1.6
97.10172	5.7
99.08088	0.6
103.05495	0.6
105.07021	10.9
107.04951	1.3
107.08587	7.4
109.06541	1.7
109.10154	5.3
111.08063	1.4
114.85822	0.4
115.05463	1.1
116.06213	0.6
117.07002	7.8
119.08575	10.0
121.06490	2.2
121.10118	3.6
123.08095	1.6
123.11700	1.3
125.09628	4.7
128.06206	1.5
129.06993	6.9
130.07828	0.8
131.08568	10.7
131.09528	0.8
133.06511	1.1
133.10112	6.9
133.11047	0.4
135.08018	2.2
135.11708	2.7
137.09644	0.7
139.11198	0.6
141.06979	2.3
142.07791	1.3
143.08554	7.4
145.06523	1.9
145.10110	9.1
147.08049	1.5
147.11684	4.1
149.09634	1.6
149.13275	1.4
151.11211	0.5
153.06978	0.5
153.09157	0.6
154.07866	0.4
155.08572	3.8
156.09323	0.8
157.06584	0.8
157.10110	7.0
158.07312	0.5
159.08083	3.1
159.11662	6.4
161.09630	1.1
161.13242	2.2
163.11183	1.1
165.12738	0.5
167.08559	2.0
168.09297	0.6
169.10117	4.7
171.08099	1.1
171.11697	5.9
173.09615	2.0
173.11836	0.7
173.13197	4.1
175.11208	1.5
175.14844	1.1
177.12798	0.7
179.08505	0.7
181.10081	2.7
183.11646	3.9
185.09694	1.5
185.13226	4.4
187.11195	1.6
187.13275	0.8
187.14861	1.7
189.11224	2.1
189.12761	0.8
191.08597	0.5
193.10173	1.1
193.12274	1.4
195.11667	3.1
197.13271	3.4
199.11179	0.8
199.14819	3.0
201.12801	1.1
201.16444	0.4
203.14395	0.5
207.11734	0.9
209.13229	2.1
211.11293	0.6
211.13148	0.8
211.14890	1.4
213.12782	1.1
213.16408	0.8
215.14316	1.1
217.15955	0.4
219.11600	0.4
221.13289	1.6
223.14897	1.6
225.16435	1.0
227.12630	1.9
235.14906	0.5
237.16432	1.0
239.18001	0.8
241.19562	0.9
243.15909	0.6
247.14822	0.6
257.19000	0.5
259.20566	2.6
267.15787	2.1
271.16760	0.6
275.20093	1.0
283.20520	1.8
285.18753	0.6
297.18762	0.6
297.22150	2.1
299.20395	0.8
299.23773	3.1
301.18121	0.5
301.21548	1.0
309.22195	0.7
311.20370	0.6
313.21729	0.7
315.23117	1.0
321.22037	0.6
325.21619	0.9
327.23233	0.5
329.21103	0.5
333.24286	1.4
339.23203	1.0
343.22812	0.5
349.25372	0.5
353.24899	0.6
357.24371	1.3
357.51233	0.5
365.24680	0.5
369.24380	0.5
371.25708	0.7
405.31525	0.8
415.30048	1.6
421.25879	0.5
423.32526	1.2
433.31073	5.5
451.32062	8.0
469.33295	3.6
487.33978	1.1
497.35605	0.5
507.34485	1.0
515.37189	2.5
525.35742	16.6
526.36084	0.6
543.36816	100.0
544.37061	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	543.368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.7
51.57071	0.5
53.03949	3.2
55.01868	4.2
55.05509	16.6
57.03436	3.2
57.07049	1.9
59.04976	0.6
65.03910	1.4
67.05505	34.3
69.03397	1.9
69.07066	9.5
69.93316	3.2
71.04962	2.5
71.08611	0.6
73.02910	0.8
79.05490	43.4
81.03432	3.0
81.07055	37.3
83.04973	3.7
83.08623	9.8
85.02843	0.6
85.06510	1.6
87.04433	0.7
91.04896	0.7
91.05476	24.8
93.07041	55.8
95.04453	0.8
95.04974	10.5
95.08603	40.6
97.02911	2.9
97.06532	4.3
97.10165	3.3
98.21441	0.8
99.04459	4.1
99.08084	0.6
103.05442	1.1
105.04516	1.3
105.07030	17.7
107.04947	7.9
107.08592	35.4
109.06512	3.2
109.10151	6.5
111.04425	1.1
111.08040	1.9
113.05983	0.8
115.05429	0.9
116.06184	0.6
117.06242	0.5
117.07022	12.3
119.08577	14.8
121.06509	4.8
121.10137	22.3
123.08102	0.8
123.11687	1.6
125.05978	2.5
125.09611	1.8
129.06969	1.9
130.07765	1.8
131.08551	6.8
133.06561	0.6
133.10146	8.0
135.08023	2.0
135.11688	43.2
137.13220	0.8
139.07492	1.9
143.08525	2.9
145.10118	30.4
147.08025	0.8
147.11687	3.4
149.09584	0.8
149.13234	3.2
153.12666	1.2
157.10092	1.7
159.11673	4.2
161.13243	2.4
163.11172	48.3
169.10117	0.7
171.11650	1.8
173.09485	0.7
173.13220	3.1
175.14915	0.6
177.84882	0.6
181.10379	0.9
181.12233	10.8
183.11644	0.8
187.14787	1.4
193.12209	0.7
197.13181	0.7
199.14815	0.6
204.97333	0.7
209.11656	1.4
222.40445	0.6
227.12772	100.0
228.13301	0.7
243.21103	1.6
249.14832	0.6
261.22168	5.8
275.20132	0.8
283.15427	1.3
299.23700	2.0
317.24774	2.2
433.31067	1.1
451.32089	1.6
469.33170	0.9
525.35938	2.6
543.36804	90.5
544.36896	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01868	1.5
55.05510	12.5
57.03436	3.4
57.07067	1.5
58.70198	0.4
65.03931	1.2
67.05501	18.3
69.03419	0.8
69.07058	7.4
70.99451	1.0
71.04988	2.1
79.05491	13.8
81.03418	5.0
81.07054	16.7
83.04984	2.4
83.08621	7.3
84.02838	0.5
85.02908	0.8
85.06535	1.4
88.07661	0.7
91.05476	13.4
93.07040	11.9
93.96581	0.5
95.04976	5.4
95.08001	0.4
95.08595	9.9
95.09161	0.8
96.96557	0.5
97.06539	1.8
97.10155	7.2
98.56687	0.5
101.06129	0.5
105.03413	0.5
105.07021	13.7
105.07668	1.0
107.04949	1.9
107.08592	8.4
109.06531	1.9
109.10149	8.4
111.08089	1.3
115.05425	1.1
116.06223	0.5
117.07012	8.4
117.49512	0.5
119.08574	9.1
121.06516	2.5
121.10133	5.0
123.08069	1.6
123.11711	1.6
125.09648	4.8
128.06255	1.5
129.06998	6.9
130.07794	0.8
131.08560	12.9
131.09512	0.7
133.06497	1.4
133.10112	8.2
135.08081	1.9
135.11697	2.9
137.09613	0.8
141.06982	2.9
142.07803	1.4
143.08559	8.9
145.06502	2.4
145.10112	10.2
147.08043	1.4
147.11662	5.3
149.06007	1.5
149.09714	1.3
149.13284	1.8
151.11191	0.6
153.09135	0.8
154.07765	0.9
155.08542	4.6
156.09372	0.8
157.06439	0.7
157.10121	7.2
159.08063	2.3
159.11697	7.6
161.09659	1.2
161.13271	2.0
163.11217	1.7
167.08597	2.2
168.09299	0.6
169.10141	4.4
171.08043	1.4
171.11690	6.7
173.09703	1.5
173.11859	0.8
173.13297	4.4
175.11244	1.3
175.14891	1.5
177.12743	0.7
179.08537	0.9
181.10100	3.9
182.10997	0.5
183.11661	4.0
185.09691	1.2
185.13243	5.4
187.11246	1.8
187.13272	0.6
187.14854	2.1
189.11276	2.2
189.12749	0.5
193.12279	1.8
195.11652	2.5
197.13210	3.6
199.11223	1.2
199.14819	2.6
201.12730	1.1
201.16396	0.8
203.14499	0.7
207.11865	1.1
209.13284	2.3
211.11336	0.6
211.14873	1.7
213.12825	1.5
213.16489	1.0
215.14464	0.9
217.12292	0.6
217.15909	0.5
221.13257	1.0
223.14896	1.9
225.12863	0.6
225.16437	1.0
227.12807	2.1
227.17857	0.7
228.23376	0.6
229.14268	0.9
229.23717	0.9
235.14813	1.0
237.16452	0.8
241.15965	0.9
241.19608	1.6
251.17879	0.5
255.21086	0.8
257.19003	0.9
259.20526	3.3
265.19690	0.8
267.16003	2.5
283.20728	1.5
297.19077	0.7
297.21979	2.3
298.07928	0.5
299.23535	3.7
301.21567	0.9
307.20667	0.8
313.21515	0.8
315.23285	1.1
321.22125	0.8
325.21893	0.7
333.24399	1.3
339.23184	1.1
341.10388	0.6
342.10666	1.2
357.24319	1.1
371.25851	0.6
405.31543	0.9
407.24408	0.5
415.30188	2.5
421.25940	0.6
423.32611	1.2
433.30902	5.1
451.32184	8.8
469.33386	3.6
487.04364	0.6
487.34045	0.6
489.33817	0.8
499.34332	0.7
507.34537	2.3
513.35455	0.9
515.37366	1.6
525.35742	16.6
543.36902	100.0
544.37036	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	543.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
54.77511	0.4
55.01871	2.7
55.05507	11.1
57.03418	2.1
57.07048	1.5
57.55645	0.4
59.04978	0.5
64.65961	0.4
65.03938	2.2
67.05500	27.9
69.03396	1.3
69.06726	0.4
69.07063	7.2
71.04981	2.5
72.07140	0.4
73.02905	0.6
74.09693	0.4
77.03881	0.5
79.05488	37.1
81.03392	1.8
81.07052	28.3
83.04966	2.9
83.08617	7.3
85.06525	0.9
91.05475	16.5
93.07040	46.6
95.04967	9.1
95.08601	38.0
97.02882	2.5
97.06528	3.2
97.10130	1.7
99.04443	2.6
103.05459	0.9
105.04507	0.8
105.07030	14.0
107.04948	6.0
107.08587	30.0
109.06507	2.6
109.10149	6.1
111.04398	1.5
111.08067	1.2
115.05445	0.9
117.07011	10.4
119.08575	12.8
119.80575	0.4
121.06483	3.9
121.10138	16.6
123.08035	0.4
123.11680	0.8
125.06001	2.4
125.09615	0.5
129.06985	0.8
130.07745	1.4
131.08562	4.5
133.10143	5.7
135.08020	2.3
135.11685	38.7
137.09567	0.7
139.07513	0.9
143.08543	1.5
145.06429	0.6
145.10117	22.5
145.11269	1.1
147.11711	2.4
149.13277	3.2
150.64487	0.5
153.12692	0.6
155.08487	0.4
157.10185	0.5
159.10501	0.7
159.11658	2.5
161.13268	1.6
163.11176	42.9
173.13261	1.3
175.14833	0.6
177.16180	0.5
181.12204	10.2
181.13695	0.9
187.14841	0.9
192.11975	0.5
209.11682	0.7
227.12767	100.0
243.21080	1.2
261.22131	4.6
275.20300	0.6
283.15201	0.7
313.11688	0.5
317.24722	1.3
469.32956	0.6
525.35803	1.0
543.36786	77.9
544.37372	0.7
567.42114	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
53.03934	1.8
55.01859	2.0
55.05503	10.2
57.03422	3.1
57.07075	1.1
59.04310	0.6
64.31736	0.6
65.03942	0.9
67.05496	21.6
69.03423	2.0
69.07055	7.3
71.04978	1.6
71.60727	0.8
79.05479	14.8
80.44976	0.7
81.03419	4.9
81.07049	16.8
83.04978	2.3
83.08607	5.9
85.06535	1.3
91.05467	14.8
93.07027	12.9
95.04953	5.7
95.08609	10.1
97.06518	1.6
97.10161	6.4
103.05495	0.7
105.07022	11.9
107.04937	2.1
107.08592	7.7
109.06474	1.8
109.10136	7.4
111.08088	1.8
115.05479	0.9
116.97182	0.7
117.06988	8.8
119.08566	10.5
121.06529	1.5
121.10130	4.7
123.08052	2.0
123.11688	2.2
125.09623	4.6
128.06250	1.5
129.06978	7.1
131.08553	12.0
133.06522	1.0
133.10110	7.7
135.08054	2.5
135.11694	2.3
137.09561	1.2
141.06975	2.5
142.07787	1.9
143.08525	7.9
145.06474	1.1
145.10107	9.5
147.08014	1.2
147.11684	5.7
149.09601	1.9
149.13290	1.1
155.08530	4.6
156.09351	1.3
157.06444	0.8
157.10103	7.9
159.08032	2.4
159.11667	6.6
161.09628	1.5
161.13258	2.3
163.11125	1.4
167.08583	1.6
169.10103	5.4
171.08015	1.1
171.11678	6.6
173.09680	2.1
173.11812	1.3
173.13261	4.0
175.11241	1.1
175.14838	1.0
177.09096	0.8
179.08551	1.1
181.10129	2.3
183.11658	5.6
185.09615	1.3
185.13261	4.7
187.11211	1.6
187.14793	1.9
189.11194	2.3
189.12750	1.1
193.10150	1.2
193.12196	1.5
195.11703	2.4
197.09563	0.8
197.13269	2.6
199.14856	2.6
201.12744	1.4
207.11769	0.9
209.13280	2.3
211.13153	1.4
211.14813	1.5
213.12766	0.9
213.16452	0.9
215.14371	0.9
219.11699	0.7
221.13266	1.4
223.14813	2.2
227.12708	1.6
229.14249	1.1
237.16406	1.0
241.19504	1.1
247.16997	0.8
259.20599	2.4
267.15762	1.9
269.12299	1.0
271.20728	0.7
281.22781	0.8
283.20596	1.8
297.22073	1.9
299.23782	3.2
301.21716	1.0
309.22067	1.0
313.21753	1.0
327.23196	1.0
333.24356	1.6
339.23398	1.1
355.26358	0.9
357.24115	1.4
371.25717	1.1
415.29825	1.1
423.32660	1.5
433.30991	5.4
435.27414	0.8
451.31995	9.1
469.33298	4.4
471.31656	0.9
487.34344	1.1
515.37415	2.2
525.29602	0.7
525.35754	18.1
543.36810	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	543.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53725	0.2
55.05483	0.6
57.72546	0.2
64.63731	0.2
67.05481	0.6
69.07062	0.3
77.17175	0.2
79.05474	0.5
81.03416	0.6
81.07034	0.8
91.05488	0.4
91.06019	0.2
93.07039	0.5
95.04993	0.5
95.08583	0.5
98.20753	0.4
104.40191	0.2
107.08582	0.4
107.71249	0.2
109.06459	0.3
109.10154	0.4
121.10162	0.3
123.04390	0.3
123.11663	0.2
125.21351	0.2
131.08452	0.3
139.02118	0.2
145.10127	0.2
147.04427	0.4
166.17099	0.2
173.02409	0.2
259.13538	0.3
292.87579	0.3
311.09711	0.3
333.22815	0.8
345.23065	0.5
351.23749	1.7
363.24039	0.4
369.24811	0.3
373.04782	0.3
381.25809	4.1
402.89777	0.2
481.31265	0.5
525.30298	1.8
543.31299	100.0
544.31433	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.314
Annotation	Tricalysioside S
Peak:m/z	Relative Intensity
67.05491	0.6
67.32567	0.2
69.03421	0.3
71.00967	0.4
71.04967	0.4
79.05515	0.3
81.07040	0.4
84.36314	0.3
85.02888	0.5
87.52747	0.2
91.05437	0.3
93.07027	0.4
95.08606	0.4
95.24677	0.2
99.43652	0.2
105.07019	0.4
105.80922	0.3
107.08567	0.3
109.10128	0.5
119.08574	0.4
123.04401	0.6
131.45203	0.2
133.10124	0.4
153.01823	0.5
176.16121	0.3
203.05269	0.7
230.89642	0.2
333.23199	0.5
345.22794	0.5
351.24069	0.8
363.24908	2.3
365.26492	0.4
369.24854	0.8
381.25565	5.8
423.25943	0.3
499.31958	0.4
513.30096	1.3
525.30164	0.5
543.31317	100.0
544.31451	1.0
546.30762	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93826	0.7
71.58075	0.8
71.58487	0.9
85.02907	1.7
97.02906	0.8
111.85681	0.8
116.33727	0.8
139.60945	0.7
223.07924	0.8
284.59384	1.0
363.06784	1.8
381.07935	9.3
543.13214	100.0
544.14172	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07802	0.4
58.32139	0.4
70.11181	1.9
74.55592	0.5
76.09833	0.5
78.74580	0.5
82.74268	0.4
98.17283	0.4
99.70024	0.4
102.66304	0.4
104.91582	0.4
124.07744	0.4
130.11891	0.5
131.01939	0.5
196.85184	0.4
239.31418	0.4
251.71117	0.6
275.45303	0.5
356.44183	0.5
363.06427	2.2
381.07834	11.1
386.63638	0.4
452.71744	0.5
543.13177	100.0
544.13635	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3139
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
53.16568	0.3
63.06378	0.2
76.11961	0.3
85.63012	0.2
98.20705	0.6
203.05286	1.3
210.40292	0.3
212.71747	0.3
220.37096	0.3
333.23407	0.4
345.22571	0.4
351.23792	0.4
363.24991	2.4
369.25085	0.4
381.26035	26.0
404.26367	0.4
423.25729	1.4
513.30487	0.6
543.31323	100.0
544.31647	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.3
51.29449	0.8
53.03946	6.3
55.01854	2.8
55.05507	19.5
57.03414	1.7
57.07067	1.9
65.03925	3.5
67.05498	59.9
69.07063	12.8
69.90533	5.4
70.06574	1.6
71.04974	2.8
73.06554	1.0
77.03888	0.8
79.05486	76.2
81.03426	5.3
81.07048	51.3
83.04980	8.4
83.08604	6.1
85.06532	1.8
91.04885	1.6
91.05473	48.0
93.07036	69.2
93.50118	0.8
95.04967	18.5
95.08600	32.5
97.06528	4.5
97.10143	3.2
99.08066	1.3
100.60156	0.9
102.09206	1.1
103.05457	1.0
105.04533	2.1
105.07022	36.1
107.04943	4.0
107.08586	22.6
109.06509	4.1
109.10154	10.0
111.08076	1.6
115.05408	1.5
117.07005	9.0
119.08566	19.4
121.06501	1.9
121.10126	14.1
123.08047	3.1
123.11635	1.4
127.07557	1.1
128.06216	1.9
129.07001	9.9
131.08559	8.5
133.10110	12.8
135.08066	1.0
135.11691	8.8
137.09592	1.5
143.08554	7.0
145.10107	12.1
147.08029	1.5
147.11676	24.7
149.13272	3.3
149.16454	0.8
151.11087	1.1
157.10109	1.1
159.11690	3.7
161.09593	2.9
161.13260	13.0
163.14792	1.3
169.10046	1.9
171.11668	19.7
173.13309	2.7
175.14813	1.3
187.14819	1.7
189.12726	7.5
201.16345	1.2
207.13809	24.5
207.15739	1.6
211.14781	1.2
225.14859	2.3
243.21086	1.1
256.26331	2.2
259.20776	0.9
261.22189	3.8
281.17215	1.3
311.29343	1.1
312.29834	1.4
317.24771	1.9
431.32892	1.1
449.34363	1.9
461.01755	0.9
485.36404	1.1
523.37793	1.6
540.53619	1.9
541.38879	100.0
541.53540	4.7
542.39581	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01863	3.7
55.05507	16.7
57.03421	2.4
59.04971	1.9
66.03084	1.1
67.05502	20.6
67.76850	1.3
69.07071	8.4
71.05009	2.4
71.61139	2.5
79.05491	18.2
81.03415	7.1
81.07049	16.9
82.70414	1.2
83.04974	3.2
83.08630	8.1
85.02870	1.7
85.06540	2.0
91.05476	15.6
93.07047	13.8
95.04970	7.3
95.08612	11.8
97.06488	2.9
97.10177	10.9
105.07034	13.4
107.04943	3.3
107.07898	2.2
107.08590	10.8
109.06571	2.0
109.10161	7.7
111.08115	1.8
117.07001	9.6
119.08577	11.5
121.06535	2.3
121.10161	3.1
123.08015	2.6
125.09652	6.9
128.06255	4.9
129.06992	10.2
131.08548	10.8
133.10130	5.8
135.08058	4.0
135.11687	3.4
136.74596	1.3
141.06992	2.9
142.07771	2.6
143.08554	10.2
145.06584	2.0
145.10083	8.2
147.07997	1.8
147.11699	4.6
149.09615	2.1
155.08505	6.7
157.10138	10.3
159.08066	3.2
159.11690	7.4
163.11168	1.6
167.08597	4.0
168.09418	1.8
169.10132	6.1
171.11636	7.4
173.09598	1.6
173.11902	1.5
173.13335	2.9
175.11134	1.7
181.10225	3.1
183.08069	1.9
183.11765	4.0
185.13260	6.4
187.11215	1.8
187.14830	2.3
189.11255	3.6
193.10153	2.1
195.11737	4.8
197.09642	2.3
197.13351	4.5
199.14917	2.1
207.11737	2.1
209.13255	3.7
211.14871	2.1
213.12761	1.9
223.14890	2.0
227.12814	3.8
266.02985	1.4
275.20172	3.8
295.20517	1.5
297.22232	6.0
325.21747	1.4
353.24738	1.8
369.88986	1.4
413.28268	1.8
431.29584	5.4
441.19739	1.4
449.30447	9.7
449.87067	1.5
467.31702	5.8
485.32751	2.5
523.34229	10.5
541.35333	100.0
542.35870	1.7
547.82141	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89472	0.4
55.05516	1.8
56.05042	0.7
57.03447	1.3
58.99577	3.0
65.03938	0.9
67.05504	1.3
69.03461	0.9
69.07079	1.4
69.20980	0.5
70.04138	1.4
70.04540	1.0
70.06585	0.5
71.04988	0.6
72.48411	0.5
76.02224	8.8
76.02612	0.7
79.01865	0.7
79.05506	1.8
81.07053	5.5
83.04978	0.9
83.08638	0.6
84.04496	30.8
85.02938	1.8
85.06548	0.6
86.99026	3.1
91.05494	2.1
93.07030	4.6
95.04958	2.4
95.08599	3.3
97.02882	0.8
97.06557	1.5
97.10202	0.6
102.05548	1.2
105.00082	4.8
105.07043	4.0
107.08592	6.0
109.02873	0.6
109.06521	5.9
109.10167	3.2
110.22694	0.5
111.08157	0.8
119.04983	0.7
119.08568	6.9
121.06510	0.9
121.10121	5.0
122.02719	48.4
123.04420	10.1
123.08080	1.2
123.11714	2.2
125.02355	0.8
127.03916	0.8
130.04997	22.7
130.87254	0.5
131.08568	3.4
133.06464	0.7
133.10095	3.6
134.73912	0.6
135.08067	4.1
135.11699	8.1
137.05963	6.2
137.13254	1.4
139.03896	2.4
142.03220	6.9
142.07718	0.6
143.03419	1.2
143.08565	3.6
145.10109	3.1
147.04337	2.6
147.08015	1.2
147.11703	2.6
149.09633	1.0
151.03931	2.3
151.07584	0.9
151.11179	5.7
153.01822	11.9
153.02975	1.0
155.08549	1.2
156.09349	0.9
157.10072	4.3
158.10939	0.8
159.11659	3.6
161.05984	1.0
161.09650	3.3
161.13312	1.4
163.03934	2.2
163.11179	7.5
165.05434	1.5
167.07030	0.6
169.10130	2.9
170.10847	0.9
171.08009	0.8
171.11668	4.2
173.06084	0.8
173.09593	1.9
173.13261	5.0
175.11142	1.7
177.09146	2.4
181.10132	1.6
182.11053	0.8
183.11682	2.2
184.12404	0.6
185.09702	1.7
185.13220	1.7
187.11180	1.6
187.14810	1.5
188.03755	9.0
189.05492	1.0
189.12776	1.3
193.08592	2.1
195.11751	1.6
196.12523	0.6
197.13235	3.7
198.14021	1.1
199.11180	1.3
201.12671	2.9
203.10625	0.9
205.06502	1.0
205.08603	0.9
207.11594	1.0
208.12434	0.9
209.15335	0.6
211.14792	3.1
212.15541	1.6
213.12743	2.0
213.16368	12.4
215.14296	8.0
219.10086	1.0
222.13936	1.4
227.17999	2.8
229.15775	0.9
230.16641	8.4
231.10243	0.9
231.17430	11.8
233.05946	1.4
234.04312	7.5
237.16319	3.9
240.15050	0.7
249.11314	0.7
249.18456	7.2
251.06950	100.0
255.17407	20.9
273.18472	31.5
285.07495	1.7
291.19427	3.1
327.12241	2.2
345.13055	0.7
361.23450	0.6
371.14636	1.6
389.06525	1.1
389.15735	2.1
412.21503	6.2
495.59836	0.5
523.24188	0.8
541.25452	44.2
542.25592	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05477	0.7
57.03419	1.3
67.05490	1.5
69.03421	3.0
69.07053	1.1
71.04996	1.3
71.06533	1.1
71.06875	1.2
79.01834	1.9
79.05476	2.3
81.03413	4.4
81.07053	3.7
83.04944	1.2
85.02933	4.1
85.06516	1.4
91.05457	2.1
93.07033	3.7
95.04961	0.9
95.08606	6.6
97.02892	4.7
97.06529	1.1
99.08080	3.5
105.07014	1.9
107.01325	1.6
107.04919	1.5
107.08580	8.9
109.02872	5.0
109.06509	2.7
109.10132	3.0
111.08060	0.9
117.06914	0.7
119.08559	1.3
121.06510	3.8
121.10139	7.5
123.08082	3.9
123.11650	0.8
125.02348	2.9
125.09620	2.1
127.03920	7.9
131.08549	2.4
133.10129	4.7
135.08038	3.6
135.11642	0.8
137.09619	1.8
143.03375	5.1
145.04903	1.3
147.11678	2.2
149.09607	15.2
149.12199	0.9
149.13199	3.7
151.11172	5.0
153.01823	100.0
153.09067	1.7
154.02193	1.0
163.14780	5.7
165.48856	0.8
171.02869	14.1
173.13275	4.9
176.88100	0.7
191.14294	18.6
202.60907	0.8
209.15361	29.6
238.71840	0.7
279.05081	1.1
297.06039	6.4
300.45102	0.8
315.07098	16.3
361.37268	0.8
443.04218	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2278
Annotation	Erizomycin
Peak:m/z	Relative Intensity
53.03933	0.6
55.01844	0.4
55.05499	0.6
56.22474	0.2
57.03418	0.6
57.07068	0.2
59.97283	0.2
61.02899	0.2
64.67386	0.2
66.51197	0.2
67.05506	1.1
69.03423	3.1
69.07044	0.8
69.75237	1.0
69.75649	0.3
71.04971	0.9
79.00600	0.2
79.01847	2.7
79.05490	1.1
81.03407	7.0
81.07056	2.2
83.04967	0.8
83.08601	0.5
85.02899	2.7
85.06513	0.8
91.05473	1.2
93.07029	2.4
95.04948	0.8
95.08593	3.2
97.02883	4.6
97.06519	0.6
99.04449	1.2
99.08083	2.5
105.07019	1.7
107.01288	1.6
107.04945	0.9
107.08588	5.0
109.02866	4.8
109.06503	1.4
109.10139	2.3
111.08057	0.6
119.08580	0.7
121.06485	2.2
121.10129	3.8
121.14737	0.2
121.76785	0.2
123.04434	0.2
123.08052	2.1
123.11679	0.4
125.02330	3.6
125.05910	0.4
125.09621	0.8
127.03901	7.6
127.11133	0.3
131.08549	1.2
133.10135	2.0
135.08014	2.2
135.11685	0.6
137.05963	0.3
137.09608	0.5
139.11119	0.4
143.03381	6.0
145.04958	1.0
145.10123	0.6
147.11659	0.8
149.08385	0.4
149.09604	10.9
149.13214	2.1
151.11177	2.5
153.01813	100.0
153.09071	0.9
154.02144	0.5
163.11217	0.3
163.14783	3.0
171.02867	12.4
173.13243	3.1
191.14287	7.9
209.15346	13.1
212.05431	0.2
227.16362	0.7
237.04138	0.2
279.04819	0.3
297.02786	0.5
297.06024	7.0
315.07056	12.6
505.19980	0.2
530.19556	0.3
541.29346	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.5
53.03937	1.1
54.59528	0.4
55.01884	0.5
69.03433	2.9
69.07056	0.5
70.06580	0.7
71.04980	1.9
71.34073	1.0
79.01846	3.2
81.03423	6.4
81.07063	1.1
85.02915	3.5
85.06540	0.7
91.05436	0.6
93.07033	0.5
94.00790	0.5
95.08582	0.8
97.02884	4.5
97.06537	0.5
99.04453	5.3
107.01311	1.7
107.08598	2.2
109.02866	5.4
109.10168	1.3
121.10146	0.9
123.08029	0.5
123.11720	0.7
125.02342	3.6
125.05970	0.7
125.09640	2.9
127.03920	7.1
133.10130	1.9
135.08029	0.6
135.11681	0.6
143.03397	5.8
145.04932	1.2
147.11662	0.8
149.09660	0.5
151.11169	1.8
153.01826	100.0
153.09102	4.2
154.02196	0.9
158.93893	0.4
160.48518	0.4
163.14839	0.7
169.12267	0.9
171.02882	11.6
173.13286	0.8
183.13852	1.2
191.14308	2.0
209.15341	6.0
227.16388	7.7
297.06046	7.2
315.07092	10.6
325.96390	0.4
541.17346	0.6
541.29724	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35196	0.4
53.03931	0.9
55.05502	0.6
57.03418	0.4
58.11911	0.4
61.07655	0.3
64.69376	0.4
65.47433	0.4
69.03429	3.2
69.85548	1.0
69.85962	2.0
70.06580	0.5
71.04982	1.2
73.00764	0.4
76.97485	0.3
79.01860	1.9
79.05437	0.5
81.03410	5.6
81.07030	0.5
83.04975	0.4
85.02908	3.7
91.05490	0.6
93.07009	1.1
95.04958	15.6
97.02880	4.4
97.06502	0.9
99.04446	3.9
101.51165	0.4
105.06996	0.8
107.01306	1.8
107.08566	1.2
109.02865	4.2
109.06490	1.2
109.10156	0.6
115.07552	0.7
121.10152	1.0
123.08105	0.6
125.02331	3.5
125.09529	0.4
125.34629	0.4
127.03930	6.9
127.04906	0.8
133.10118	1.7
139.03864	0.5
143.03371	5.0
145.04971	1.1
147.04375	0.4
147.11667	0.5
149.09584	0.4
151.03943	0.5
151.11118	0.5
153.01816	100.0
153.09076	5.7
154.02264	0.4
155.10658	0.5
167.14290	0.6
168.23906	0.4
171.02872	13.7
173.13263	1.0
191.14270	1.3
209.15338	9.0
215.86737	0.5
219.10190	0.4
227.16435	1.0
237.52618	0.5
279.05011	0.6
297.06012	7.0
299.08795	0.6
315.07092	15.6
379.15173	0.5
497.67847	0.5
541.17902	0.5
565.28436	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2275
Annotation	Erizomycin
Peak:m/z	Relative Intensity
53.03926	0.4
54.71792	0.3
55.01876	0.6
55.05508	0.7
57.03406	0.4
67.05498	0.9
69.03426	2.5
69.07060	0.6
70.06590	0.6
71.04981	0.6
71.60677	0.6
78.59732	0.4
79.01853	2.8
79.05490	0.7
81.02983	0.4
81.03413	5.3
81.07055	1.6
83.04968	0.8
85.02904	3.9
85.06545	0.6
89.98450	0.3
90.80109	0.3
91.05463	0.5
93.07036	1.0
95.04980	0.8
95.08588	1.4
97.02880	4.4
97.06531	1.0
99.04460	0.8
105.06994	0.8
107.01322	1.7
107.04960	0.4
107.08591	2.0
109.02870	4.3
109.06508	0.6
109.10138	1.8
111.08080	0.8
119.08581	0.5
121.06451	0.4
121.10169	1.6
123.04425	9.0
123.08069	0.4
123.11677	0.8
125.02335	3.4
125.05973	0.9
125.09621	3.7
127.03918	6.5
131.04959	0.4
133.10104	1.4
135.04408	0.5
135.08080	0.7
135.11690	1.4
137.05986	1.0
139.03899	2.0
143.03386	4.9
145.04967	1.4
147.04384	2.3
147.11687	0.4
149.06032	0.4
149.13191	0.8
151.03914	2.0
151.11194	1.6
153.01819	100.0
153.09087	4.2
154.02170	1.0
161.06026	0.6
163.03885	1.8
163.14824	0.6
165.05472	1.6
167.07104	0.6
169.01286	0.8
171.02887	11.7
173.05949	0.5
173.13217	0.7
175.14748	0.4
177.05457	1.1
181.08647	0.3
181.15715	0.4
184.18213	0.3
189.05518	1.3
191.14272	2.3
193.08638	1.6
205.08575	1.3
207.06422	0.3
207.10176	0.3
209.15344	6.9
211.16931	1.0
219.10226	0.8
227.06996	1.4
227.16348	2.1
231.10258	0.4
237.05659	0.5
273.07681	0.4
283.81580	0.3
285.07605	1.0
285.15671	0.3
297.06027	7.2
315.07059	11.4
323.07581	0.4
327.12320	2.4
329.10165	0.5
335.09470	0.6
348.46530	0.4
371.14868	1.4
389.06506	0.8
389.15817	1.8
501.89597	0.4
541.22351	19.9
541.29755	4.4
542.22302	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.2
55.05514	1.4
57.03429	1.1
64.27783	1.2
65.42278	1.2
66.92116	1.0
67.05504	2.6
67.73445	1.3
69.03440	6.3
70.06587	3.6
71.04970	1.3
71.60723	1.7
76.01418	1.1
79.01836	1.6
79.05494	4.6
79.30864	1.4
81.03418	5.2
81.07043	6.0
83.04980	1.7
83.08632	1.6
85.02901	6.3
88.56728	1.2
91.05483	5.4
93.07047	4.3
95.04996	2.2
95.08622	2.2
97.02873	5.7
105.07050	3.9
107.04936	3.3
107.08581	13.6
108.08862	1.4
109.02886	4.5
109.06504	3.1
109.10149	6.2
117.07072	1.9
119.04942	1.8
119.08554	2.7
121.06516	1.4
121.10133	7.7
122.03757	1.3
122.07306	4.5
123.04464	3.5
125.02351	2.1
127.03892	7.7
131.08527	1.9
133.10129	65.4
135.08049	7.7
135.11719	1.8
137.05971	15.4
137.09616	39.5
143.03375	3.0
147.04407	3.5
147.11694	2.7
149.09608	1.4
149.13232	7.2
151.07552	3.1
152.07082	1.6
153.01826	100.0
154.02185	4.6
161.05963	1.8
163.07552	2.1
163.14825	1.8
165.09160	6.5
166.09454	3.4
171.02879	14.2
173.13304	5.3
175.07542	1.6
177.05391	1.4
191.14307	45.1
207.13707	2.1
208.14204	1.7
209.15349	8.8
219.10132	1.3
297.06039	7.5
315.07092	21.7
351.16031	1.3
389.06564	3.8
401.76602	1.4
411.52283	1.3
540.28571	2.3
541.11536	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
53.51748	0.6
55.01877	0.6
55.05495	2.5
57.07066	2.4
65.39144	0.5
67.05505	3.8
67.47497	0.6
69.03429	4.2
69.07065	8.6
69.85549	3.2
70.06570	0.6
71.04976	1.3
79.01834	0.8
79.05487	3.9
81.03416	4.3
81.06575	1.2
81.07050	22.6
83.04967	1.1
83.08622	3.0
85.02898	2.3
85.06525	2.0
86.09722	0.9
91.05470	4.8
93.07041	9.3
95.04929	1.7
95.08602	7.3
97.02905	2.9
97.06538	5.3
100.67813	0.5
105.07027	7.0
107.08592	15.5
109.02885	3.2
109.06503	2.1
109.10142	5.6
111.08095	0.7
117.06998	0.9
119.08574	3.8
121.06483	1.4
121.09307	1.1
121.10140	15.8
123.04412	2.0
123.08072	10.1
123.11703	61.0
124.12045	0.6
125.02373	1.7
127.03919	5.7
131.08557	6.5
133.10123	32.6
135.08044	8.0
135.11700	5.9
137.05951	0.8
137.09575	1.1
139.03908	1.0
143.03346	2.2
145.10107	2.2
147.04428	0.9
147.08020	0.9
147.11679	2.2
149.09615	1.5
149.13232	2.2
151.07526	0.7
153.01822	72.3
154.02171	0.6
158.10944	1.1
163.11206	0.6
163.14818	8.0
171.02869	10.3
171.11629	0.8
173.11763	0.7
173.13252	13.6
177.05486	0.7
191.14297	100.0
209.15508	0.6
279.04968	1.5
297.06049	5.3
315.07083	37.3
333.08316	1.0
335.18399	3.2
367.10336	0.7
394.19217	0.6
469.18512	0.7
487.19562	3.4
505.20749	9.3
508.17203	0.8
540.27435	3.0
557.01788	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54781	0.7
53.27137	0.7
61.02915	1.5
69.03426	3.0
69.40838	3.1
69.41261	5.2
70.06590	9.6
71.04997	1.1
72.08166	2.1
76.08248	0.8
78.52996	0.7
79.05479	1.4
81.03419	1.8
81.07048	1.9
85.02911	9.9
86.09683	1.1
91.03951	1.0
91.05473	9.2
95.04976	3.0
97.02892	2.4
98.20619	1.0
103.05461	2.0
105.07018	2.1
107.04966	1.9
109.02871	1.0
109.06503	1.4
118.06543	3.1
119.04922	7.8
121.06530	2.2
122.03651	2.0
123.04451	3.0
127.03886	1.7
128.06232	1.0
129.06982	5.4
131.04938	2.9
133.06544	1.1
134.27950	0.9
135.08038	2.6
136.05197	1.4
136.07600	1.3
137.05974	38.7
145.06454	1.5
146.06009	8.5
147.06348	3.6
149.05989	6.2
151.03922	1.8
151.07538	50.1
153.01845	7.6
154.02151	1.7
157.06470	6.6
161.05969	6.1
161.09592	1.0
163.07530	11.8
163.08794	1.3
165.05505	0.9
165.06984	1.9
165.09151	2.5
167.08534	4.7
172.75252	0.8
174.06793	2.5
175.07562	3.7
177.05487	2.0
177.09099	4.7
178.05927	1.3
178.07750	1.2
189.09097	17.6
193.06522	2.2
193.10120	2.9
195.08075	8.4
207.08362	1.0
207.10158	4.0
209.09724	1.2
210.06717	1.0
211.07492	1.5
212.08386	1.5
221.05998	4.3
221.09569	4.7
221.11522	0.9
223.07539	5.6
224.08501	1.1
225.09102	3.3
227.10648	15.1
231.14885	1.4
232.15274	0.9
237.09131	1.3
238.06342	0.9
238.09866	0.9
239.06979	1.2
239.10768	1.0
240.07913	1.6
241.08542	1.0
241.12271	1.4
249.09193	4.2
252.07718	1.0
253.08665	6.4
253.12225	7.9
255.06444	0.9
255.07349	1.4
255.10155	15.5
259.14380	2.7
260.14709	1.9
266.09290	1.0
267.10135	3.0
269.08118	1.9
269.11768	1.1
272.10349	0.9
281.11716	3.2
284.10489	1.7
285.11200	11.7
287.12787	22.9
297.11246	1.1
298.11920	1.0
299.12787	1.4
311.12924	1.0
313.14319	20.3
331.15390	100.0
336.17520	0.8
343.15341	3.3
377.09744	0.9
540.17413	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	540.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01868	0.7
69.03426	1.8
70.06586	2.0
71.06915	0.7
71.58489	0.7
71.58849	1.2
81.03406	1.5
81.07034	0.7
85.02915	5.2
88.07988	0.7
91.05474	6.4
95.04980	2.6
97.02890	1.6
100.17796	0.6
103.05460	0.9
105.07033	1.0
107.04981	1.5
109.02865	1.0
109.06476	1.0
111.04415	0.9
119.04950	7.2
121.06475	1.5
121.40274	0.7
122.03613	1.1
123.04400	0.8
127.03867	1.4
129.07004	4.9
131.04897	2.0
131.08557	0.9
133.06480	1.0
135.08054	1.4
136.05133	0.8
137.05974	28.9
137.09636	0.7
145.06451	1.4
147.04353	0.7
149.05991	6.4
151.03909	1.1
151.07536	45.4
152.07924	0.7
153.01833	10.1
154.02185	3.7
157.06476	6.0
161.05923	4.1
161.09621	1.2
163.07539	10.7
165.07030	1.6
165.09125	2.3
167.08612	3.7
171.02916	1.0
174.06741	3.3
175.07565	2.6
177.07010	0.8
177.09108	3.3
179.08635	0.7
189.09093	16.5
189.12776	0.7
193.06509	1.3
193.10121	1.6
195.08063	8.1
201.09077	0.8
207.10168	2.8
207.13802	0.8
208.14154	1.4
209.09604	0.8
209.15392	0.9
210.06746	1.3
212.08426	1.6
219.10121	10.3
221.06041	2.0
221.09686	3.4
223.07498	3.3
224.08508	0.9
225.09120	3.2
227.10646	13.4
237.08978	1.2
240.07626	1.2
249.09074	1.4
252.07904	0.8
253.08614	5.1
253.12224	5.3
255.10168	15.6
256.10767	0.9
267.10150	2.3
269.08127	2.1
269.11743	1.6
272.10355	1.2
281.11749	3.1
285.11160	10.2
287.09485	1.5
287.12762	27.3
300.23239	0.7
313.14304	25.0
316.07492	0.8
331.15384	100.0
343.15475	1.2
540.18115	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.8
55.01869	27.4
55.05506	18.9
57.03431	4.4
57.07072	45.9
59.04987	1.3
65.03925	1.2
67.05501	29.8
67.64536	0.6
69.03429	11.2
69.07064	17.4
69.97523	0.7
70.04208	0.9
71.04983	1.9
71.08627	34.5
73.02909	4.5
78.26994	0.6
79.05485	15.9
81.03410	5.3
81.07049	32.1
82.04195	7.0
83.04976	11.6
83.08613	17.1
85.02888	0.9
85.06536	2.1
85.10177	17.8
89.06009	1.3
91.04959	1.2
91.05476	13.6
93.07032	10.8
94.07813	1.0
95.04959	11.4
95.08601	33.1
97.02862	1.4
97.06534	8.9
97.10159	9.3
98.07304	8.9
99.08062	1.3
99.11745	1.2
105.07018	7.5
107.04943	4.5
107.08591	5.5
109.06500	2.1
109.10143	16.5
110.07359	0.9
111.04430	1.0
111.08061	4.2
111.11732	1.5
111.90528	0.8
113.06014	0.7
115.05420	0.8
116.04733	1.6
117.06998	2.7
119.08574	5.7
121.06531	2.1
121.10136	3.2
123.08057	5.6
123.11700	5.9
125.09624	5.9
125.13290	1.0
127.07546	1.0
127.11178	5.2
127.53558	0.8
129.05502	1.2
129.07021	2.2
131.08574	3.8
133.10107	5.4
135.08058	2.2
135.11697	2.4
136.08864	0.8
137.09607	1.7
137.13257	2.2
145.10172	1.1
147.11678	3.4
149.09644	2.1
151.14819	1.2
153.09132	0.8
157.10197	1.7
158.05765	4.1
163.11147	1.6
164.11978	1.7
165.12747	1.1
165.16325	0.8
171.06519	11.3
175.11171	2.0
185.08093	4.7
190.04721	1.3
192.11467	1.0
193.12210	1.4
199.09683	2.2
199.13095	0.8
209.11713	3.2
210.12602	1.6
211.13223	1.0
213.11174	2.5
221.22609	1.1
227.12770	8.1
228.85292	0.7
229.23441	0.8
229.53029	0.8
239.23692	10.7
241.14410	1.1
242.15233	2.0
255.15881	7.1
267.15952	1.0
269.17584	2.2
270.43848	0.7
283.15430	1.9
283.19046	2.0
297.20621	2.5
311.18704	1.3
311.22141	6.3
313.27350	6.9
325.23856	1.7
339.25232	1.7
353.26736	1.5
354.27692	4.7
367.28427	17.8
381.29916	4.8
395.31567	12.5
396.26987	0.9
409.33194	3.4
423.34952	2.3
437.36295	1.6
438.37039	9.8
465.35370	2.2
493.38812	2.2
521.38220	1.8
522.39166	1.7
539.39398	100.0
564.42255	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.4
55.05508	22.1
57.07057	7.5
59.05005	3.2
67.05504	33.7
69.03421	5.9
69.07063	40.4
69.68613	14.6
69.73694	2.3
70.06580	9.9
71.04980	6.9
79.05485	15.5
81.03399	3.3
81.07053	100.0
83.04985	2.4
83.08631	11.6
85.02896	8.7
85.06537	11.5
91.05460	13.3
93.07042	40.6
95.04966	6.2
95.08600	76.1
97.02902	3.2
97.06516	9.5
97.10171	30.9
99.04473	2.7
99.08081	5.0
105.04419	2.2
105.07022	18.1
107.04962	3.4
107.08588	45.5
109.02880	5.8
109.06501	5.6
109.10145	37.5
111.08071	23.4
111.11725	12.7
114.11314	2.6
117.06992	4.5
118.61323	2.2
119.08578	9.9
121.06467	2.9
121.10147	37.0
123.04441	16.6
123.08064	2.9
123.11705	73.4
125.09624	7.1
127.03869	4.7
131.08568	4.7
133.10123	7.0
135.04366	2.6
135.07991	2.7
135.11694	16.2
135.43701	2.6
137.05977	7.8
137.09607	2.8
137.13251	32.8
139.03906	19.5
139.11172	17.3
141.12743	3.6
143.10658	4.3
145.02829	3.1
145.10112	4.2
147.04384	5.7
147.11610	7.1
149.13254	44.7
151.03888	3.6
151.07520	2.9
151.11183	4.7
153.01822	26.8
153.05270	2.6
153.12718	3.7
155.14252	6.3
157.12248	21.5
159.11662	4.8
161.13246	7.8
163.03828	2.8
163.07574	2.5
163.14815	12.9
165.12715	3.2
165.77917	2.5
167.07057	5.8
167.14261	5.0
169.12177	4.1
170.45070	2.2
175.14804	4.2
177.05443	6.9
177.16327	3.1
179.14418	2.6
187.13287	25.5
187.14807	3.6
189.16374	4.4
203.12761	14.1
207.17409	3.9
209.15306	2.6
219.17427	2.9
236.01042	2.2
237.18434	7.1
249.04526	2.4
249.18535	2.8
253.17960	2.6
255.19637	4.2
269.22345	2.4
275.23746	3.6
277.25201	5.7
279.23242	3.1
287.23639	6.7
293.24756	15.0
300.61292	2.7
305.24768	81.7
311.25717	9.3
323.25824	72.8
329.26819	5.1
341.26767	10.7
359.27914	15.5
377.22906	3.3
539.28479	57.1
540.28503	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	539.3425
Annotation	Virenamide A
Peak:m/z	Relative Intensity
53.03934	3.8
55.05508	16.4
57.03444	2.8
57.07067	5.3
59.16408	2.5
67.05495	21.4
69.03418	9.0
69.07059	30.3
70.06577	5.8
71.04978	5.7
71.60469	4.8
79.05482	11.7
81.03400	6.4
81.07050	100.0
83.04965	3.7
83.08619	6.6
85.02892	16.2
85.06541	8.5
91.05473	7.0
93.07034	37.1
95.04954	7.8
95.08601	70.4
97.02879	8.6
97.06505	7.8
97.10167	22.1
99.08086	3.1
105.07000	10.5
107.04936	5.9
107.08585	41.6
109.06509	7.9
109.10148	31.7
109.93132	2.2
111.08080	16.2
111.11694	10.2
115.07529	3.2
119.08564	9.4
121.10125	28.7
123.04433	9.1
123.08115	3.1
123.11697	56.1
127.03902	8.1
131.04875	2.8
131.08542	4.0
133.06480	4.1
133.10110	9.7
135.04367	2.7
135.08080	4.7
135.11678	13.1
137.05971	5.1
137.13258	16.8
139.03906	6.0
139.11159	15.8
141.12727	3.6
145.10106	4.9
147.04433	2.9
147.11661	6.9
148.47269	2.5
149.13246	36.3
151.03867	4.2
151.11157	4.4
153.01823	32.1
153.12773	5.2
155.14316	2.9
157.12259	15.6
159.11656	4.5
161.13260	7.2
163.14799	10.0
167.07043	5.8
169.12248	3.0
171.02888	3.7
173.13239	4.3
175.14867	3.1
177.05438	3.2
187.13257	20.2
189.12758	2.9
189.16341	3.6
191.14319	5.2
191.17969	3.2
203.12796	10.6
209.15366	6.3
213.16289	2.8
216.14774	2.7
219.17332	2.8
221.06024	2.5
223.16989	4.9
237.18497	18.6
241.04788	2.5
255.19557	9.7
287.23505	4.1
293.24588	13.6
305.24728	64.0
307.09180	2.5
311.25708	7.2
323.25809	52.6
329.26669	6.6
341.26773	7.5
345.79236	2.5
355.14941	2.5
359.27747	6.6
377.07629	4.8
391.85181	2.7
461.48413	2.6
462.47546	2.8
536.30115	2.7
539.28326	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	539.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27785	0.5
55.01892	0.5
56.05042	2.0
58.99578	7.0
58.99817	0.6
59.04999	1.0
66.56423	0.4
67.05506	2.4
69.03452	1.4
69.07085	0.9
70.06602	2.1
70.64272	1.7
76.02222	17.0
79.05511	1.1
80.05022	0.6
81.07041	3.2
83.04974	1.1
84.04497	45.2
85.02906	3.0
86.99041	4.7
91.05503	2.2
93.07057	2.9
95.04955	5.8
95.08605	4.0
97.06530	3.0
101.06007	0.7
102.05548	1.6
105.00080	10.3
105.07024	4.7
107.08591	2.9
108.09953	0.6
109.02860	0.6
109.06510	11.4
109.10139	5.1
111.08086	2.1
114.03736	1.2
117.07042	0.8
119.08580	7.7
121.06517	1.5
121.10146	3.1
122.02719	100.0
123.04411	1.2
123.08054	3.7
123.11696	1.7
125.02368	0.5
125.09611	1.6
127.03838	0.7
130.04996	30.6
131.08571	2.7
132.01115	0.5
133.10120	5.0
135.08025	1.8
135.11673	1.1
137.05963	5.5
137.09581	2.5
139.07538	1.1
139.11171	4.7
141.06973	0.9
142.03207	10.9
142.04279	0.7
143.08545	1.9
145.06435	0.7
145.10114	5.2
147.08031	2.0
147.11670	3.9
149.09575	2.5
151.07515	2.4
151.11119	1.3
153.01810	4.8
155.08582	0.9
156.09349	0.7
157.10078	1.5
159.08069	1.7
159.11707	2.2
161.09630	2.4
161.13274	2.1
163.07454	1.2
163.11226	2.5
165.09103	2.4
165.12717	1.5
169.10107	3.6
170.02734	0.8
171.02875	1.0
171.11682	4.4
173.09636	3.0
173.13286	0.6
175.11179	1.1
177.09009	1.1
183.11688	1.5
185.09595	0.9
185.13220	2.5
187.11156	3.1
187.14783	3.4
188.03767	12.5
189.12772	3.7
196.12454	0.8
201.09229	0.6
201.12796	1.1
201.16345	1.5
203.14314	0.7
205.06444	0.6
205.15842	1.9
207.13731	1.4
209.13251	0.7
211.11305	0.6
211.14815	5.2
213.12654	1.2
214.13504	0.7
216.03181	1.1
219.17207	0.6
227.14206	0.8
229.12340	1.1
229.15857	11.4
233.05849	2.2
234.04279	11.9
235.14632	1.0
247.16916	50.7
248.02167	0.6
249.05309	0.6
251.06955	99.5
252.07173	0.5
253.15891	2.6
256.70786	0.6
271.16873	9.0
289.17963	20.8
410.19965	14.5
481.24091	6.3
539.23669	44.9
540.24213	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.5
53.03928	0.8
54.36831	0.4
59.04984	0.9
67.05492	1.0
69.03432	2.8
70.06573	0.7
71.04996	0.5
71.60255	0.7
79.01846	2.6
81.03413	5.7
81.07063	0.6
85.02908	3.9
85.25201	0.4
91.05468	1.1
93.07041	1.2
95.04955	0.9
95.08553	0.8
97.02893	4.0
99.04445	1.0
101.06005	0.5
105.07023	2.4
107.01308	1.4
107.04947	0.5
107.08597	2.8
109.02878	5.3
109.06511	1.7
109.10141	2.2
119.08565	1.2
121.06539	0.5
121.10114	1.0
123.08083	1.1
125.02340	3.1
127.03930	7.2
131.04959	0.4
133.06479	0.4
133.10110	0.7
135.07980	1.0
135.11702	1.3
137.06015	0.5
137.09608	11.0
143.03403	4.8
145.04996	1.2
147.11687	1.0
151.07596	0.5
153.01823	100.0
161.13263	1.2
163.11270	0.6
171.02885	11.4
185.63823	0.5
189.12756	1.4
202.14093	0.4
207.13750	2.2
225.14864	0.9
279.04907	0.5
297.06061	5.9
303.01379	1.3
304.01859	0.5
315.07077	19.3
330.72836	0.5
432.13345	0.5
539.17322	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.6
67.05495	7.3
69.03423	3.8
69.07078	5.2
70.06586	7.2
71.04979	2.9
71.59705	1.7
79.05492	9.9
81.03410	3.2
81.07059	15.4
85.02894	5.3
91.05489	15.7
93.07043	11.9
94.04163	2.1
95.04955	4.0
95.08601	13.4
97.02874	2.8
97.06524	3.1
99.04474	2.1
100.92098	1.9
103.05476	4.1
105.07021	8.8
107.04957	11.7
107.08582	9.4
109.06523	4.8
109.10147	5.5
115.05479	6.0
116.98480	1.9
117.07050	2.9
118.04246	2.0
119.04945	7.2
119.08597	6.5
121.02950	1.9
121.06476	9.4
121.10146	7.7
122.03654	7.3
123.04430	10.5
123.08094	3.5
123.11710	3.8
124.05228	1.8
127.03889	4.0
128.06253	4.1
129.06992	8.2
131.04935	4.7
131.08595	5.2
133.06485	2.6
133.10110	2.2
135.04391	4.3
135.08055	5.7
136.05162	2.6
136.91302	1.8
137.05972	100.0
139.03929	5.8
143.03384	2.3
143.04913	3.0
145.06497	6.3
145.10144	2.5
146.03642	3.0
147.04405	7.8
147.08017	4.4
147.11679	3.2
149.06001	9.3
149.09631	3.6
149.13260	11.3
151.03906	6.0
151.07549	47.8
153.01831	33.2
153.05432	2.8
157.06476	5.7
157.10239	2.4
157.12245	2.4
161.05975	37.9
161.07245	3.0
161.09607	5.8
161.13245	1.9
162.06770	1.9
163.03947	2.3
163.07556	9.8
165.06979	4.9
165.09138	8.3
167.07098	11.8
167.14342	6.7
171.02892	3.6
174.06786	4.8
175.07547	34.3
177.05464	4.3
177.09125	8.6
179.08513	3.6
181.08640	2.1
185.06015	2.3
187.07542	4.0
189.07487	3.3
189.09094	22.7
191.06998	3.9
193.06618	2.3
193.08572	2.6
194.07298	6.6
195.10136	21.8
205.06544	4.1
205.08479	3.0
207.08334	3.2
207.10188	14.2
207.13860	4.9
209.09625	2.9
210.06793	3.0
211.07497	4.9
213.09181	2.7
217.08521	2.5
219.08223	3.5
219.10220	6.9
221.06020	6.3
222.06700	6.2
223.07368	2.3
224.08423	3.0
225.09122	4.5
234.06802	4.0
235.07523	2.4
237.09087	10.6
239.07104	2.5
248.08397	2.6
249.09143	5.1
251.06992	5.7
251.10768	2.8
253.08644	4.2
264.07864	2.7
265.08594	21.8
267.10272	2.9
269.08173	2.7
270.08563	2.6
277.08606	9.2
277.11905	2.6
278.09464	2.2
279.10272	4.4
281.08008	2.7
283.09680	6.5
285.11313	12.4
291.10202	2.1
293.08224	2.1
293.11688	2.3
295.09589	4.4
296.10550	2.9
297.11230	29.4
299.12939	3.0
305.11804	3.3
305.24686	6.0
309.11160	9.0
311.12772	21.4
313.10880	4.3
315.12271	8.2
317.13748	3.4
323.12924	9.4
323.25851	3.2
327.12207	4.7
329.14001	4.2
337.14343	19.4
341.13828	6.0
343.15341	2.6
349.14377	4.7
353.13385	2.3
355.15442	33.9
367.15421	20.0
461.19379	6.3
479.20639	9.6
491.20822	4.0
509.21384	9.6
539.28766	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	539.2122
Annotation	Mallophenol B
Peak:m/z	Relative Intensity
51.02377	0.8
51.10623	0.3
53.03931	1.2
54.79851	0.3
55.05512	1.4
56.45578	0.3
59.04982	0.5
61.65578	0.3
67.05489	0.7
69.03422	3.3
69.07056	1.3
70.06248	0.6
70.06593	6.4
70.85526	0.7
71.04969	0.6
71.06915	1.2
72.08154	5.5
77.03939	0.4
79.01833	3.0
79.05486	0.5
81.03415	6.5
81.07037	1.0
83.04984	0.5
85.02907	3.2
85.06510	0.5
86.09711	3.8
87.04457	0.5
87.78512	0.3
91.05486	3.5
93.07026	1.9
93.20106	0.3
95.04931	0.4
95.08594	1.5
97.02894	6.0
97.06481	0.4
99.04440	0.9
101.06013	0.4
103.05474	0.9
105.07037	1.2
107.01305	1.4
107.04955	0.7
107.08613	2.4
109.02882	5.5
109.06503	1.2
109.10138	0.8
117.07051	0.4
118.06544	8.0
119.04945	0.8
119.07333	0.6
119.08574	1.6
120.08093	2.1
121.10143	1.2
123.04449	2.2
123.08076	2.2
123.11700	0.4
125.02335	3.3
125.05975	0.8
127.03914	7.6
131.03542	0.4
133.10068	0.7
135.08044	1.7
135.11754	0.4
136.07585	3.2
137.05975	0.8
137.09633	3.0
143.03395	5.6
145.04947	1.3
145.10156	0.6
146.06004	25.1
147.04356	0.7
147.08009	0.7
147.11670	1.1
149.09598	3.0
151.07542	1.2
151.11150	2.7
153.01823	100.0
153.09074	1.1
154.02162	0.5
161.13264	1.4
162.05464	0.3
163.11127	0.7
163.89703	0.3
165.05431	2.0
165.09111	20.4
165.12758	1.3
167.10658	0.6
169.91397	0.4
171.02881	12.6
171.11626	0.6
174.10385	0.4
177.05429	1.3
178.05745	0.6
179.14339	1.0
182.08136	4.0
185.16533	1.0
188.14355	1.4
189.12752	3.5
207.13803	11.3
211.14407	2.1
225.14847	7.7
231.14926	6.2
237.04074	0.5
259.14429	14.9
277.03705	0.4
281.14951	1.0
282.11139	0.6
297.06030	7.8
315.03531	0.6
315.07098	9.5
325.19437	0.3
341.39172	0.4
369.18454	0.6
475.50320	0.4
539.15887	3.7
539.24036	0.4
539.28442	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.6
53.03938	1.0
54.99721	0.4
55.01848	0.7
55.05497	0.7
57.03452	0.6
59.05002	0.5
61.02924	0.5
67.05501	1.3
69.03428	4.8
69.07069	0.5
69.58608	3.7
70.06586	5.7
71.04990	1.1
71.06918	0.9
72.08162	0.8
79.01833	2.1
79.05487	1.3
81.03416	7.3
81.07040	1.4
83.04976	1.2
85.02896	2.4
87.04468	0.6
91.05479	1.6
93.07034	1.7
95.04974	0.8
95.08611	2.3
97.02892	5.3
97.06528	0.6
98.20741	0.6
99.04435	0.9
105.07027	3.2
107.01303	1.5
107.04955	1.1
107.08576	2.3
108.24358	0.4
109.02873	4.0
109.06499	1.6
109.10163	0.6
110.50493	0.4
111.08094	0.5
119.08559	2.9
121.06532	0.7
121.10139	2.8
123.04423	2.1
123.08066	4.5
123.11689	0.8
125.02339	3.7
127.03907	7.8
127.97816	0.4
131.08548	0.4
133.06514	1.4
133.10159	2.6
135.04376	0.4
135.08034	0.6
135.11662	0.5
137.05939	2.0
137.09607	1.4
139.03909	0.6
139.11148	0.9
143.03389	5.4
143.08530	0.5
145.04942	1.2
145.10126	1.1
147.08035	0.7
147.11719	2.1
149.09624	4.5
151.07578	2.8
151.11186	1.6
153.01825	100.0
154.02238	0.7
161.05969	1.4
161.09595	0.8
161.13257	3.3
163.07549	0.5
163.11154	0.9
165.09038	0.6
165.12756	1.3
171.02882	13.5
171.11729	1.3
174.10381	0.8
174.22415	0.4
175.07536	0.5
177.05539	2.1
177.12750	0.5
178.05824	0.8
179.14331	0.6
189.09103	0.5
189.12733	11.6
207.13799	29.0
225.14851	22.1
233.04283	0.4
297.06036	8.0
315.07053	12.5
327.01984	0.5
359.14624	0.5
482.11942	0.6
505.68570	0.4
533.86859	0.4
538.39789	0.6
539.16724	1.9
539.29193	0.5
556.77991	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2118
Annotation	Mallophenol B
Peak:m/z	Relative Intensity
53.03934	0.8
54.78078	0.6
59.04971	0.6
59.85626	0.7
67.05512	3.6
69.03433	2.7
69.59925	0.5
70.06595	21.2
71.04992	1.2
71.06921	3.2
71.52080	0.8
79.01847	2.1
79.05506	0.8
81.03415	5.4
81.07088	1.2
85.02901	4.2
85.06545	1.5
91.05450	0.7
93.07038	1.6
94.57569	0.5
95.08048	0.8
95.08607	10.1
97.02895	4.6
97.06541	0.6
98.20821	0.6
99.04408	0.7
105.07042	2.3
107.01309	1.3
107.08600	1.3
109.02876	4.7
109.06496	0.6
113.06050	0.7
119.08550	2.2
121.06517	0.8
121.10136	1.1
123.04418	1.9
123.08099	3.9
125.02332	3.7
127.03909	8.5
133.10088	1.5
135.04398	0.6
135.11667	0.8
137.09572	1.1
143.03391	4.0
143.08745	0.6
145.04968	1.5
147.04366	0.9
147.07983	0.8
147.11723	1.3
149.05994	0.8
149.09616	17.0
151.07593	0.7
153.01826	100.0
154.02202	1.4
159.08118	0.7
161.09695	0.6
161.13310	2.1
163.11153	0.9
165.12840	1.1
171.02888	13.9
171.04234	1.1
171.11765	0.8
174.10426	0.9
177.05478	11.6
178.05795	5.1
189.05495	0.7
189.12738	8.0
207.13797	28.7
211.23187	0.6
217.47169	0.6
235.11565	0.5
237.23936	0.7
297.06042	7.4
315.07074	14.6
330.10373	0.7
341.13898	0.7
482.11813	1.4
539.17377	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	539.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.3
52.09238	0.3
53.03934	1.1
55.01855	0.5
55.05507	0.4
57.03419	0.6
62.75170	0.3
67.05490	0.8
69.03419	3.2
69.07066	0.6
70.06592	2.3
70.43250	1.2
70.48301	0.3
71.04976	1.1
71.06900	0.6
72.08155	4.2
79.01855	2.7
79.05482	0.7
81.03412	7.9
81.07040	0.9
83.04972	0.6
85.02892	3.1
91.05478	0.9
93.07018	1.1
95.04947	0.5
95.08589	2.2
96.70712	0.3
97.02289	0.4
97.02894	5.9
97.03525	0.5
97.06512	0.4
99.04437	0.9
105.06989	2.2
107.01327	1.8
107.04933	0.4
107.08582	1.1
109.02875	4.7
109.06495	0.9
109.10153	1.1
111.08115	0.3
119.08566	2.0
121.06491	0.4
121.10149	3.0
123.04420	0.7
123.08067	0.8
125.02322	3.7
125.05915	0.4
125.09594	0.5
127.03908	7.2
131.08568	0.3
132.05826	0.4
133.06503	0.4
133.10138	1.0
135.08051	0.5
135.11633	1.9
136.07620	0.3
137.09622	3.7
137.13249	0.4
139.03798	0.4
139.11171	0.5
143.03381	6.7
143.08542	0.3
145.04945	1.3
145.10100	0.4
147.04420	0.3
147.08092	0.3
147.11667	1.3
149.09612	5.3
151.07547	0.7
153.01817	100.0
154.02208	0.3
156.09412	0.4
159.11691	0.4
161.05949	0.5
161.13240	3.2
163.11151	0.7
165.09123	3.8
165.12791	0.8
171.02872	13.3
171.11627	0.7
171.77675	0.3
175.07547	0.5
177.05463	1.3
178.05786	0.8
179.14333	0.8
181.12204	1.9
189.12701	3.9
207.10095	0.5
207.13792	6.5
225.14832	14.4
251.03125	0.3
297.02811	0.6
297.06030	8.5
315.07095	9.3
315.10748	0.5
339.19333	0.3
357.20425	0.3
375.21158	0.7
426.05487	0.3
494.69223	0.4
539.17267	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	8.0
57.03433	1.4
57.07055	4.6
60.33332	1.2
62.68365	1.0
67.05509	9.9
69.03425	3.5
69.07063	23.8
70.06584	2.6
71.04996	1.4
71.61510	1.7
79.05505	4.3
81.07047	62.3
81.82171	1.2
83.04953	1.8
83.08616	5.7
85.02899	3.1
85.06544	9.3
91.05471	2.8
93.07023	12.7
93.36904	1.1
95.08596	30.8
97.06510	2.5
97.10162	20.6
99.08118	1.4
105.07029	7.3
107.08582	20.2
109.06499	1.7
109.10157	14.6
111.08085	1.9
111.11695	9.6
119.08569	4.3
121.10139	14.6
123.11694	100.0
125.09620	1.3
130.09932	1.1
133.10121	3.5
135.11664	5.3
137.09615	1.7
137.13245	11.1
139.11171	22.4
144.68475	1.2
145.10092	1.4
147.04388	1.6
147.11676	5.1
149.13232	22.4
151.14848	1.6
155.14326	2.7
157.12238	14.8
161.09506	1.4
161.13333	2.7
163.14812	3.2
165.12726	1.8
171.78085	1.2
175.14798	1.8
203.12732	10.7
203.17917	2.6
219.17369	1.8
221.19066	3.0
237.18356	1.3
239.19997	3.9
249.18449	1.8
253.21638	3.7
275.23727	1.9
287.23599	2.0
293.24667	14.7
305.24719	43.1
311.25842	10.4
323.25778	84.0
324.26389	1.4
341.26816	27.7
341.33267	1.5
445.96457	1.3
536.16907	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.05510	11.1
57.03433	1.2
57.07068	3.0
67.05502	17.0
68.79785	0.9
69.03431	2.0
69.07061	22.3
70.06577	2.3
71.04991	2.7
71.08628	1.8
71.60880	1.8
79.05486	12.9
81.07052	57.2
83.04980	1.4
83.08616	9.5
85.02905	3.7
85.06535	2.5
91.05449	7.7
93.07039	40.3
95.04953	2.8
95.08603	49.4
97.02869	2.0
97.06520	6.0
97.10176	13.1
99.08087	1.7
105.07018	19.8
107.07861	2.0
107.08589	41.1
109.02904	1.4
109.06523	2.5
109.10152	35.3
111.08083	3.7
111.11732	4.1
113.09609	1.7
115.07580	1.1
119.08585	17.0
121.09306	2.1
121.10140	27.3
122.10506	1.1
123.04408	6.1
123.08081	1.9
123.11692	22.3
125.09591	5.3
125.13249	1.4
130.23512	1.2
131.08546	2.3
133.10132	17.9
135.11678	22.4
137.09633	3.7
137.13234	4.2
139.03896	1.3
139.11160	2.9
141.21500	1.1
143.08574	1.6
143.76199	1.0
144.00273	1.1
145.10124	4.4
147.11673	16.4
149.13248	47.5
151.11186	4.0
151.14830	1.9
153.01851	2.9
157.10078	1.7
157.12292	1.8
159.11708	4.5
161.13254	7.3
163.11234	1.2
163.14793	11.3
165.12735	4.7
165.16440	1.6
169.91750	1.1
173.13254	2.9
175.11276	1.1
175.14825	3.8
177.05502	1.8
177.12724	2.0
177.16345	6.1
179.14340	1.3
183.13879	1.1
187.14836	2.5
189.16328	6.4
191.14302	1.7
193.15843	2.4
195.17445	3.2
207.17479	1.2
209.15352	3.0
213.16446	1.3
223.16898	1.6
243.20970	1.4
249.18593	2.1
259.24161	6.9
261.21970	1.4
269.22650	4.5
275.23672	5.9
277.25211	12.9
279.23224	2.5
287.23633	10.2
293.24713	23.4
298.51743	1.4
305.24725	100.0
306.25195	2.8
311.25751	3.4
323.25775	34.6
324.26028	1.6
341.26837	3.5
348.83853	1.2
359.27887	1.4
538.25549	1.5
539.27081	1.2
544.06128	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
53.03934	1.1
55.05503	0.4
57.03431	0.7
67.05481	0.3
69.03139	0.2
69.03432	3.3
70.06599	1.2
71.04987	0.8
79.01852	1.9
79.05486	1.0
80.96806	0.3
81.03416	7.5
81.07046	0.8
85.02905	3.7
85.06532	0.4
87.04485	0.3
91.05432	0.3
91.83262	0.3
93.07037	0.9
95.04965	0.6
95.08599	0.7
97.02892	5.7
99.04453	1.0
99.14767	0.2
105.03397	7.4
105.07040	0.4
106.06563	0.3
107.01320	1.5
107.04958	0.3
107.08596	0.6
109.02881	5.0
109.10148	0.7
110.28391	0.2
111.53986	0.2
115.03924	0.5
119.08597	0.4
121.10144	0.4
122.06034	1.0
123.04420	1.6
125.02347	3.5
127.03917	7.9
131.04935	0.8
133.10049	0.3
135.11665	1.0
137.05948	0.5
137.13213	0.2
139.03920	0.4
140.07069	0.4
141.68246	0.3
143.03403	5.0
145.04974	1.3
147.04362	0.3
148.07515	0.3
149.13248	0.6
153.01823	100.0
154.02124	0.6
166.08725	0.3
167.05426	0.3
171.02879	15.5
177.05428	0.8
177.12770	0.4
189.09100	1.6
192.50943	0.3
193.08611	0.5
203.10692	0.4
209.15372	1.2
219.06500	0.4
221.11795	0.4
227.16409	0.3
237.04146	0.3
237.07413	0.4
260.96130	0.3
279.05063	0.6
297.06030	10.0
297.09409	0.5
301.68781	0.3
315.07080	21.3
373.66461	0.3
381.11725	0.5
391.45581	0.3
414.14224	0.3
538.17023	0.4
538.25836	0.9
538.33838	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44326	4.3
54.52185	4.8
55.05506	19.8
57.03432	6.3
57.07071	31.2
58.73070	4.6
67.05511	40.1
69.07069	12.7
69.28559	55.7
71.08626	21.0
74.55556	5.3
75.11822	5.1
79.05484	47.9
81.07060	43.5
83.04991	8.9
83.08617	11.1
83.74262	5.3
85.10174	10.7
91.05480	45.6
91.93600	5.1
93.07039	47.2
95.04978	18.6
95.08599	30.4
98.21503	13.0
100.23488	4.8
105.07012	33.1
107.08588	12.2
109.10159	13.0
115.46078	4.9
117.07047	7.4
119.08602	20.4
129.07022	10.8
131.08577	6.4
132.79817	6.0
133.10138	9.3
143.08588	5.0
145.10129	12.8
147.11681	28.3
154.93376	5.8
155.64792	4.8
160.30928	5.2
161.13289	9.7
171.11662	19.8
179.14218	5.3
189.12782	8.4
207.13824	29.2
245.54280	5.2
281.17535	49.3
313.27377	61.6
469.43051	6.1
519.40509	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.2
53.03940	0.2
54.03473	0.8
55.04248	0.7
55.05511	0.2
55.86990	0.2
65.03941	0.2
65.30021	0.2
67.05513	0.2
68.99782	0.4
69.07048	0.2
69.79475	0.7
69.79900	0.5
70.06588	100.0
71.06927	0.3
79.01853	0.5
79.05500	0.2
81.03406	0.2
81.07063	0.5
85.02911	0.4
91.05490	0.7
93.07027	0.4
95.04980	0.5
97.02909	0.4
98.21168	0.6
100.11254	0.3
103.05478	0.3
103.95590	0.2
105.03371	0.2
105.07050	0.3
107.01327	0.2
107.04948	0.5
109.06502	0.3
109.68308	0.2
111.11686	0.2
115.05454	0.3
119.04930	1.1
121.06522	0.7
123.04419	15.8
125.02347	0.6
131.04924	0.3
133.06500	0.5
135.04443	1.0
137.02278	0.2
137.05977	1.2
138.05394	0.2
138.09138	0.3
142.85051	0.2
143.02402	0.2
143.03406	1.1
143.04919	0.2
144.26674	0.2
147.04405	6.1
149.05991	1.9
153.01817	11.8
159.04398	0.2
161.05971	1.9
163.03908	0.4
165.05482	3.9
171.04469	0.2
175.07579	0.9
177.05458	22.7
178.05824	0.2
187.03900	0.2
187.07455	0.3
189.05444	3.4
201.05423	0.3
207.06572	0.8
209.15378	0.5
234.11324	0.4
263.70508	0.2
265.08643	0.2
280.53287	0.2
283.06042	0.2
293.07959	0.3
311.09122	2.6
329.10199	3.6
368.14972	0.5
451.43405	0.2
481.11258	7.8
482.11783	0.3
538.17059	28.2
538.42603	0.4
539.17303	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3036
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
52.55426	0.2
53.14769	0.2
67.05504	0.2
69.06435	0.2
70.26514	0.2
70.79240	0.6
79.05466	0.2
79.24152	0.2
81.07056	0.2
82.95759	0.2
91.05479	0.2
93.07022	0.3
95.08615	0.2
99.28215	0.2
104.10719	0.3
109.06517	0.2
109.10165	0.3
114.80703	0.2
119.08600	0.3
185.04169	0.3
301.20233	0.6
342.22430	0.2
537.30334	100.0
538.30640	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	537.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.01862	2.2
55.05508	12.7
57.03437	7.6
57.06784	1.7
57.07074	35.0
67.05500	23.1
67.62215	1.0
69.03413	1.8
69.07059	10.7
70.14006	5.8
71.04990	3.8
71.08627	24.8
79.05489	12.6
81.03416	35.6
81.07051	29.6
82.04200	1.1
83.04978	6.5
83.08616	18.6
85.02901	18.1
85.10181	11.8
91.05469	18.6
93.07046	8.8
95.04966	13.9
95.08606	21.1
97.06532	3.2
97.10172	9.2
98.20402	1.0
105.07034	17.5
107.04961	4.5
107.08556	5.6
109.06546	2.3
109.10150	8.6
111.08090	6.0
113.05988	2.1
115.67378	1.1
119.08565	11.3
121.06451	1.5
121.10136	3.8
121.63077	1.1
123.08073	1.2
123.11715	5.0
129.06992	6.5
131.08578	5.1
133.06493	2.6
133.10135	5.3
138.65038	1.1
142.07811	1.6
145.10172	1.8
147.11678	8.5
149.09674	3.6
157.10156	7.7
175.11183	7.8
193.12215	26.7
193.13820	1.7
211.13268	33.6
249.14885	1.6
253.25330	4.2
267.15945	7.1
327.28745	6.2
519.40552	4.5
537.41571	100.0
538.42151	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.4
54.43935	2.5
55.05490	11.0
66.67620	2.7
67.05499	25.3
67.73579	2.6
68.86343	3.0
69.03416	28.7
69.07047	7.8
71.60438	6.3
76.92245	2.6
79.05486	20.5
79.56425	2.4
80.21764	2.4
81.03405	3.1
81.07040	21.5
83.04956	9.2
83.08620	4.2
89.70831	2.4
91.05468	77.9
93.07034	25.3
95.04954	12.2
95.08601	7.4
97.06524	3.6
99.04436	4.0
103.05446	4.8
105.07023	100.0
107.04949	9.6
107.08576	10.7
109.02856	11.8
109.06503	4.6
109.10133	4.6
115.05436	4.7
117.06988	12.6
119.04949	2.7
119.08569	45.7
121.06480	4.7
121.10113	5.3
123.04459	3.1
128.06149	5.1
129.06969	11.9
131.08560	16.1
133.06465	38.1
133.10117	50.9
134.65289	3.5
135.08072	9.6
135.11694	2.9
141.06981	4.0
142.07713	6.3
143.08543	8.1
145.06494	4.7
145.10121	8.4
147.08022	13.7
147.11667	50.9
151.07521	5.2
155.08553	7.5
157.06430	4.7
157.10081	15.0
159.08069	16.0
159.11707	6.5
161.05966	3.0
161.09615	10.5
163.07541	5.5
165.06972	5.1
167.08516	3.9
169.10114	5.9
171.08069	5.4
171.11681	3.5
173.09624	3.3
173.13248	3.8
175.07556	8.4
175.11179	55.0
175.24442	2.7
176.50951	3.3
177.09116	6.3
177.12680	3.1
178.07639	2.9
179.08521	5.8
181.10040	2.9
183.08141	4.2
184.08890	3.5
185.09633	10.1
185.13278	2.8
187.07524	7.6
187.11226	4.2
189.12898	3.9
193.10249	2.9
193.12210	7.7
195.07982	4.0
195.11687	7.3
196.08826	3.6
196.38312	2.7
197.09566	8.4
199.07530	4.1
199.11139	7.7
201.08981	3.2
201.12697	5.1
203.10609	4.5
207.11603	3.0
209.09596	7.2
210.10503	3.3
211.07495	3.2
211.11163	7.3
213.12715	7.4
215.10593	6.3
221.13185	3.1
223.11188	7.7
225.09192	5.7
225.12711	5.4
229.12192	25.1
233.09535	6.8
237.12723	3.5
239.10666	7.7
239.14371	4.6
241.12233	10.7
248.12016	6.4
249.12749	4.5
251.10658	19.2
253.12187	4.4
253.15842	7.0
263.14264	11.5
267.13818	7.2
269.11838	3.3
276.11371	5.1
281.15363	17.6
291.13785	10.1
299.06079	4.1
299.16483	4.8
309.14874	23.7
327.15750	17.4
345.16925	8.0
501.08368	2.9
537.29260	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	537.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.6
55.05508	4.8
56.96571	3.4
65.03938	2.4
67.05495	11.8
69.03426	8.1
69.07063	100.0
70.12008	12.2
71.04985	2.6
73.58318	2.5
79.05504	14.3
81.07054	13.8
83.04964	6.6
86.09704	3.9
91.05462	45.4
91.05916	3.2
93.07021	14.6
95.04952	11.6
95.08598	8.7
103.05441	3.5
105.03403	7.4
105.07020	51.3
107.04970	4.1
107.08606	8.4
109.06505	5.1
115.05415	3.3
117.07040	5.2
119.08581	24.7
121.06518	4.6
123.08065	6.7
124.99978	3.9
128.06210	3.2
129.06998	5.5
131.08559	25.9
133.06462	3.8
133.10120	31.6
135.08060	4.1
137.05919	5.0
141.07088	2.7
143.08612	4.9
145.06413	3.7
145.10089	6.9
147.08028	4.5
147.11671	32.4
151.07497	4.0
155.08635	2.4
157.10117	7.9
159.08005	5.0
161.09596	5.9
167.08514	4.4
169.10075	3.4
171.07941	4.0
171.11615	3.0
173.09656	7.5
175.11147	22.9
177.09105	4.8
178.07672	3.3
179.08607	3.6
183.08057	3.6
183.11713	3.8
184.07405	16.6
185.07623	5.0
185.09471	3.2
195.11700	3.7
197.09575	2.7
199.11075	3.3
208.08792	3.6
209.09558	6.0
209.13354	3.8
211.11194	9.9
213.12779	3.0
215.10683	5.5
223.11217	6.9
223.14890	3.0
233.09561	5.4
239.10567	3.9
251.10709	6.6
251.14374	4.7
269.11719	7.7
281.15454	11.0
291.13904	6.4
299.16333	3.7
300.06265	5.4
309.14963	15.5
327.15845	18.3
345.16885	11.1
534.89929	2.7
537.33954	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	537.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.6
55.01848	4.9
55.05493	12.9
57.07050	3.8
67.05500	27.0
69.03415	15.7
69.07067	15.2
69.26628	37.2
79.05479	31.5
81.03413	7.4
81.07046	21.7
83.04974	6.1
83.08601	6.4
85.06518	3.2
91.05479	83.3
92.39043	3.2
93.07029	28.1
95.04980	15.3
95.08598	11.9
97.10114	3.5
103.05460	3.4
105.07026	100.0
107.04928	6.5
107.08582	8.7
109.06477	8.5
109.10124	6.8
117.07005	12.7
119.08572	49.4
121.06464	6.7
121.10136	4.7
121.17038	3.6
123.08060	9.2
128.06166	3.3
129.07002	7.8
131.08546	11.9
133.06462	12.0
133.10133	31.5
137.05939	3.5
142.07823	3.8
143.08534	8.0
145.10117	8.0
147.07956	9.6
147.11674	57.4
149.09576	3.6
155.08542	5.3
157.10092	8.2
159.08038	12.3
161.09602	6.3
165.06982	6.4
167.08510	5.3
169.10065	5.1
171.08025	4.9
171.11736	3.4
173.09592	6.6
175.07399	4.1
175.11191	31.7
177.09074	8.6
179.08591	4.2
181.06534	3.7
181.10091	4.0
183.08034	7.1
183.11720	5.0
185.09590	5.8
187.11122	6.2
191.08607	3.4
193.10214	3.9
193.12183	5.4
194.47701	3.4
195.08061	5.1
195.11694	4.1
196.08954	3.3
197.09605	3.9
199.10950	3.6
201.09068	5.4
203.10648	3.8
209.09650	10.1
211.11136	8.4
213.12685	4.0
215.10594	6.1
222.10526	4.8
223.11105	7.5
233.09581	9.3
237.12852	3.8
239.10658	3.6
248.11926	8.7
249.12750	6.1
251.10666	11.0
251.14343	4.8
263.14310	9.5
269.11697	5.6
276.11295	4.4
281.15378	16.0
291.13702	13.0
299.16251	7.9
309.14767	15.0
315.68881	3.1
327.15851	22.1
342.26459	3.0
345.16995	9.1
437.52844	3.4
537.30505	4.3
537.37830	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	537.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59129	4.7
55.05495	19.1
56.77775	4.5
56.96574	7.8
67.05494	30.7
69.03415	23.2
69.07053	13.2
70.15363	12.1
70.15763	8.0
71.04992	5.1
74.49904	4.5
79.05496	29.1
81.07034	33.7
82.64282	4.2
83.04985	13.2
91.05456	81.9
93.07030	37.9
95.04982	22.7
95.08588	18.7
97.06515	6.3
100.80364	4.4
103.05471	4.5
105.07015	100.0
107.04943	6.9
107.08593	14.1
109.06493	11.3
109.10110	5.1
111.08009	5.8
112.38937	4.8
117.07015	16.4
119.08575	52.5
120.08992	5.2
121.06421	5.0
121.10119	7.2
123.08060	10.1
129.07021	11.5
131.08553	17.5
133.06517	11.3
133.10110	40.4
134.20407	4.5
135.08112	5.2
138.79903	4.5
142.07790	6.4
143.08516	10.4
145.06508	5.1
145.10132	11.2
147.08032	10.9
147.11676	55.1
155.08604	7.4
157.10149	14.0
159.11732	5.1
161.09613	6.7
167.05624	7.2
169.10060	8.5
171.08047	8.6
173.09605	13.6
175.07585	7.6
175.11163	39.3
177.09128	8.8
177.98099	4.7
179.08543	7.0
181.10028	6.4
183.11697	9.8
184.07396	8.3
185.09631	6.4
193.10132	6.1
195.11729	5.2
197.09534	9.3
201.09186	6.3
202.09987	6.0
203.88686	5.2
208.08719	8.4
209.09570	7.5
210.10335	6.5
211.11099	16.4
215.10797	9.7
223.11166	12.8
229.98077	5.0
233.09598	6.6
241.12212	6.2
249.12723	7.1
251.10672	9.9
263.14398	16.1
267.13712	9.1
281.15375	14.3
291.13770	12.1
299.06104	5.7
299.16422	5.8
309.14932	22.9
327.15915	32.6
345.17087	10.5
351.22162	4.7
404.04416	4.8
445.20309	4.7
537.33344	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	537.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13385	0.8
53.03938	4.2
55.01866	1.6
55.05297	1.1
55.05511	10.4
58.99540	0.9
60.19529	0.9
60.81526	0.8
65.03928	3.5
67.05165	1.9
67.05499	23.8
69.03072	1.8
69.03422	18.7
69.07045	8.5
72.63224	0.9
79.05487	25.9
81.07053	20.7
83.04974	5.7
87.04446	1.2
91.05476	91.0
93.07037	22.5
95.04961	19.0
95.08598	10.5
96.96391	0.9
97.06538	2.1
99.04474	1.0
103.05466	5.4
105.07026	100.0
107.04929	4.7
107.08567	8.1
108.05711	1.0
109.02877	2.6
109.06503	9.1
109.10195	1.1
111.04442	0.9
115.05447	4.5
116.06284	1.0
117.07008	12.9
118.07805	2.0
119.04916	1.7
119.08573	60.6
121.06514	6.1
121.10136	4.1
123.04475	1.2
123.08060	9.4
125.05911	1.2
125.09618	1.0
128.06229	3.8
129.06993	7.6
130.07777	1.1
131.08554	14.1
133.05592	1.3
133.06490	13.3
133.10126	38.2
135.08031	6.4
137.05969	4.1
139.07509	1.1
141.07002	3.4
142.07753	4.4
143.08578	5.2
145.06491	5.5
145.10092	8.5
147.08034	8.6
147.11676	57.9
149.06023	1.4
149.09599	2.2
151.07544	3.9
153.06984	2.7
154.07874	2.0
155.08545	4.6
156.09270	1.2
157.10133	9.1
158.07253	3.3
159.08051	9.9
159.11729	1.8
160.08871	1.2
161.05942	2.4
161.09601	6.7
163.07541	3.5
165.06976	4.8
165.09128	1.7
166.07779	3.0
167.08566	4.0
169.06447	1.5
169.10092	5.6
170.07178	1.1
171.08046	4.4
171.11662	1.9
172.08800	1.7
173.09645	7.6
175.07622	5.3
175.11177	31.2
177.09171	6.4
178.07765	2.9
179.07027	5.0
179.08569	5.4
180.09344	4.4
181.06473	1.9
181.10045	5.6
182.07256	1.7
183.08015	4.7
183.11679	4.1
184.08871	1.8
185.09622	5.4
185.13295	1.1
187.07544	4.3
187.11208	3.4
189.09032	2.0
190.07764	1.1
191.08533	3.0
191.10442	1.4
192.09296	2.8
193.10138	9.6
193.12245	4.0
194.11023	1.2
195.08011	5.7
195.11690	6.4
196.08891	6.2
197.09576	7.3
197.13271	2.0
198.10417	1.4
199.07538	1.6
199.11157	6.3
200.08107	1.0
201.09155	5.7
202.09871	4.1
203.08844	1.5
203.10670	5.9
204.09242	1.2
205.08481	2.1
205.10164	4.2
205.12057	1.0
206.10869	1.7
207.08112	2.2
207.11714	3.9
208.08762	5.0
209.09598	8.7
209.13231	1.1
210.10446	2.7
211.07649	1.6
211.11168	11.2
211.14691	1.0
212.11894	1.7
213.09152	2.3
213.12675	5.4
215.10677	7.8
217.10172	1.3
217.12228	1.2
219.08023	2.3
219.11761	1.6
220.08955	1.3
220.12561	2.1
221.09688	5.0
221.13277	1.5
222.10345	1.9
223.11185	11.7
223.14775	1.9
224.08287	1.4
224.12051	1.2
225.09158	2.7
225.12752	4.0
226.09927	1.7
227.10641	2.1
229.12172	2.4
230.10931	1.3
231.13728	2.1
233.09618	9.7
234.10367	2.2
235.11227	2.3
235.14828	3.4
236.08264	1.7
236.11888	1.9
237.09117	3.4
237.12674	2.9
238.09854	1.6
239.10693	6.0
239.14308	4.1
241.12326	3.3
247.11177	2.6
248.11896	6.7
249.09073	2.4
249.12662	3.5
251.10674	6.9
251.14275	6.2
253.12259	3.0
253.15918	3.6
261.09070	3.0
261.12695	1.6
263.11139	1.9
263.14304	14.7
264.11591	1.4
265.12244	1.5
266.13034	2.1
267.10083	1.9
267.13785	4.6
269.11682	6.6
273.12845	2.1
275.10550	1.2
276.11456	4.0
279.13824	3.8
281.15344	11.9
291.13797	10.8
297.14941	1.9
299.16431	5.8
309.14835	21.4
327.15897	25.8
345.16998	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	536.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.3
57.03434	4.8
59.04980	2.2
66.96143	0.7
67.05498	2.0
69.03423	17.8
69.07063	1.6
70.63876	0.8
71.00507	2.3
71.04987	3.9
73.02908	1.5
75.04470	0.8
75.61553	0.8
79.05480	3.9
81.03408	2.1
81.07050	2.8
83.04984	3.5
83.08627	4.0
85.02417	1.5
85.02901	18.4
87.04465	15.2
91.05482	2.7
93.07040	3.1
95.04965	9.6
95.08614	3.2
97.02885	14.1
97.06452	1.3
99.04441	7.2
103.03944	1.2
105.07016	4.4
107.04951	1.5
107.07859	1.5
107.08585	31.9
109.02865	1.4
109.06499	5.8
109.10155	1.4
111.04462	0.9
111.72450	0.8
115.03917	16.4
119.04921	1.0
119.08583	3.1
120.08105	2.0
121.10153	8.1
123.04445	2.3
123.08057	79.3
123.11652	5.5
125.05975	2.9
125.09620	19.2
127.03940	2.7
131.08553	3.0
133.04967	16.0
133.10114	2.5
134.10458	1.8
135.11702	1.5
137.05931	1.5
137.09583	1.3
139.11165	3.3
145.04953	3.1
145.10127	1.9
147.04396	2.0
147.08012	2.8
147.11705	2.4
149.09607	36.2
151.07506	3.9
153.01813	4.2
161.09593	1.0
161.13232	2.0
163.11159	2.0
165.09108	2.9
165.12776	4.1
167.05614	1.7
167.10666	10.0
169.10078	4.5
175.14902	1.0
183.13817	2.5
187.11230	3.9
189.12700	5.9
191.10674	2.3
203.14270	1.9
204.14626	2.0
207.13773	12.9
221.15359	1.6
222.15660	1.2
225.14836	100.0
235.13310	2.1
237.14745	1.4
249.14822	12.7
259.08063	1.1
267.15894	3.6
291.15906	2.0
299.06134	3.5
310.64368	0.9
321.16965	1.3
333.16977	1.2
339.17880	1.3
344.97446	1.0
351.18066	3.6
369.18997	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76657	0.3
52.03891	0.2
56.58861	0.3
67.05499	0.6
69.07044	0.3
69.21857	0.2
69.30959	3.0
79.05482	0.3
81.07040	0.5
90.99648	0.3
91.05470	0.6
93.07018	0.6
95.04941	0.3
95.08595	0.5
105.07043	0.4
107.08582	0.4
108.47994	0.2
119.08552	0.3
131.08620	0.4
150.01784	0.3
177.05457	0.4
184.07399	0.4
191.49380	0.3
299.06174	0.4
328.00867	0.3
331.24042	0.3
373.25595	9.2
373.30118	0.6
535.30853	100.0
536.31049	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2877
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
55.01862	0.4
55.05500	1.0
57.03423	0.9
67.05485	1.8
69.07043	0.9
71.04965	0.4
79.05489	1.9
81.03411	1.6
81.07059	2.4
83.08616	0.9
85.02904	1.8
91.05451	1.9
91.19156	0.4
93.07029	1.5
95.04967	1.6
95.08604	1.4
100.78761	0.4
105.07029	1.8
107.04955	0.5
107.08588	1.1
109.06490	0.5
109.10151	1.2
118.04294	0.4
119.08577	1.5
119.53603	0.3
121.10168	1.0
123.11706	0.4
131.08562	1.3
133.10124	0.9
135.07967	0.4
135.11743	0.5
137.05997	0.6
145.10110	0.4
147.11720	0.6
150.98318	0.4
157.10088	0.7
167.07059	0.5
173.09573	0.8
175.11180	0.7
184.07304	1.8
185.07599	0.6
187.69299	0.4
193.12239	0.8
195.13994	0.4
203.94682	0.4
251.12524	6.6
257.52179	0.4
285.16931	0.6
299.05905	0.5
307.15146	4.7
532.85345	0.5
535.28741	100.0
536.28906	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.9
55.01867	1.8
55.05503	5.0
57.03439	3.0
59.04990	1.7
59.30298	1.4
61.02940	1.5
65.03935	1.8
67.05499	13.4
69.03431	13.4
69.07058	3.7
69.99488	5.1
69.99895	3.2
71.04971	3.1
73.02923	1.6
75.04500	1.5
79.05482	23.2
79.05905	2.0
81.03416	11.2
81.07062	12.8
83.04976	4.0
83.08597	1.7
85.02904	13.5
85.06535	7.3
87.04478	2.4
91.05468	25.9
93.07039	75.0
95.04950	8.1
95.08599	32.4
97.02891	5.9
97.06554	1.5
98.52808	1.4
99.04497	2.1
102.29254	1.4
103.05450	2.2
105.07025	19.2
107.04982	1.8
107.08593	27.9
109.02866	6.3
109.06504	5.0
109.10170	4.9
111.04475	2.4
111.08131	1.7
113.06020	3.7
119.04954	10.8
119.08581	18.7
121.06509	7.1
121.10136	87.0
123.04408	4.1
123.08054	17.1
123.11699	3.4
125.09647	1.3
127.03918	4.5
129.05565	1.3
129.06982	2.4
131.04939	2.6
131.08548	14.0
133.06497	2.0
133.10129	5.5
135.07986	3.2
135.11697	7.4
137.05986	4.4
137.09590	3.7
139.11165	2.2
143.08524	1.9
145.04921	1.6
145.10152	3.8
147.04404	45.4
147.08093	3.3
147.11673	11.2
149.09615	100.0
149.13286	3.1
150.06404	1.3
151.07523	2.2
151.11201	1.6
153.01813	15.6
156.09334	1.9
157.10168	1.5
159.11639	1.8
161.09587	2.1
161.13277	5.4
163.03922	3.8
163.07570	3.6
163.11226	3.0
165.05484	2.4
165.12790	3.8
167.06981	1.8
167.10684	14.7
171.11642	3.7
173.13261	1.5
174.10408	3.0
175.11253	1.4
175.14821	2.2
177.05482	5.6
179.14331	2.0
183.02881	2.6
189.12738	16.2
191.07037	1.4
191.14320	4.5
193.08644	1.8
205.08704	1.6
207.13788	61.0
209.15305	2.6
268.71252	1.3
293.13834	5.2
299.06360	1.7
311.14926	12.7
320.12891	1.4
341.11389	1.8
373.19977	4.7
402.13647	1.5
535.24103	3.0
535.31183	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	535.2749
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
55.01847	1.0
55.05500	4.2
57.07053	1.5
59.04986	1.4
61.02908	1.5
67.05495	7.9
69.03428	5.8
69.07069	8.1
69.78181	6.2
71.04985	2.1
76.13135	1.0
79.05482	2.4
81.03416	2.0
81.07057	10.2
83.04955	5.9
83.08598	4.9
85.02899	4.4
85.06542	1.9
91.05458	2.4
91.38832	0.9
93.07035	4.9
95.04945	1.7
95.08607	17.1
95.21573	1.0
97.10158	1.2
101.21842	1.1
105.07025	4.6
107.08598	9.7
109.06500	6.0
109.10152	60.7
111.08071	1.9
113.09630	1.2
119.08569	17.1
120.08115	4.9
121.08433	1.7
121.10135	6.9
123.04404	1.2
123.08074	8.2
123.11723	5.7
123.12470	1.0
127.03934	1.3
131.14110	1.0
132.17242	1.0
133.10110	11.2
135.11685	51.5
137.05959	2.3
137.09625	8.6
139.11154	1.0
149.13229	4.7
151.03879	1.1
151.07649	1.6
151.11191	6.1
151.14815	7.6
153.01830	3.7
153.12697	1.4
162.53233	1.1
165.16362	1.2
167.07047	1.6
168.05962	0.9
175.14803	20.8
179.07036	1.2
193.15871	29.7
193.17619	1.4
204.97781	1.0
208.94751	0.9
211.16922	100.0
535.18207	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1081
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.30238	0.2
51.81643	0.1
52.04398	0.2
53.03945	1.6
55.01871	1.4
57.03434	1.1
58.76610	0.1
60.46569	0.2
61.02918	1.1
68.99785	0.7
69.03425	6.0
69.61100	0.7
69.61530	0.6
70.06567	0.3
71.04983	0.8
73.02908	1.7
81.03416	6.9
85.02901	10.7
87.00295	0.3
87.00821	4.7
91.03952	0.4
91.05463	0.2
93.06967	0.2
95.04928	0.2
97.02884	3.3
99.04453	2.4
105.01856	3.1
105.03374	0.3
107.04913	0.2
109.02874	6.2
111.00777	0.6
117.01849	1.0
120.08081	0.3
121.02843	2.0
123.04439	0.2
127.03911	8.8
129.01817	0.8
133.02820	0.2
137.02310	0.6
141.06879	0.2
145.04948	2.7
145.06061	0.3
145.06491	0.1
147.02881	0.7
147.04373	0.6
152.33397	0.2
153.01826	3.4
157.06395	0.3
159.02888	4.3
161.05991	0.2
165.01845	1.5
183.02867	0.7
183.08600	0.2
185.05978	0.3
187.07475	0.2
213.03752	0.3
213.05511	1.1
231.04582	0.9
231.06822	0.3
240.03876	0.2
241.04926	0.8
258.05365	0.8
259.05957	0.4
269.04633	0.2
273.10089	0.2
286.04904	0.3
287.05475	100.0
288.05795	0.7
309.12683	0.2
353.06274	0.2
425.03644	0.2
468.43829	0.2
469.18719	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2744
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
52.60952	1.3
53.03943	3.5
55.05502	11.0
57.03419	2.2
57.07066	2.0
61.02920	2.0
67.05497	9.8
69.03433	7.5
69.07059	8.5
70.06580	4.6
71.04988	11.3
71.61908	2.0
79.01855	1.9
79.05495	4.3
81.03409	5.9
81.07050	12.4
83.04976	9.6
83.08599	7.0
85.02898	22.3
85.06519	3.1
86.03205	1.4
91.05471	6.0
93.07034	11.2
95.04958	4.2
95.08603	21.2
97.02888	6.1
97.06565	2.0
98.97565	1.6
99.08082	3.1
100.11243	13.3
101.11575	1.7
104.51146	1.4
105.07014	10.0
107.04984	3.2
107.08584	16.9
109.02856	3.5
109.06521	8.9
109.10145	69.0
110.10401	1.3
111.04407	2.0
111.08076	3.9
113.09647	2.0
116.98635	1.9
119.04927	4.4
119.08568	30.7
120.08112	5.2
121.06544	2.1
121.10126	11.3
123.04420	4.7
123.08070	7.3
123.11713	7.8
125.02326	2.6
127.03908	7.2
133.10115	17.8
135.08076	1.7
135.11681	67.3
137.05940	2.8
137.09607	14.4
139.03951	1.7
139.11229	2.3
143.03401	2.2
144.90179	1.5
145.04938	3.0
147.04388	27.5
147.07932	1.9
147.11665	2.9
149.13240	4.1
151.11172	8.0
151.14803	7.4
153.01813	47.5
153.12740	1.6
161.09572	2.7
161.13240	2.7
163.03906	1.9
163.07408	2.2
165.05499	3.4
165.16331	2.9
171.02882	4.4
175.14806	31.9
182.15388	6.8
190.03296	1.5
191.07085	1.7
193.15860	49.8
200.23112	1.5
207.04684	1.6
209.16631	2.7
210.14909	7.0
211.16901	100.0
212.17342	2.4
221.15341	21.6
259.01233	1.6
287.05533	12.5
297.06113	2.5
299.06094	1.9
315.07153	4.7
326.28036	1.9
355.19205	2.0
378.81274	1.6
410.43253	1.8
431.18903	1.8
534.43671	3.7
535.43994	16.5
536.18695	1.9
561.16473	2.6
562.16577	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	534.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42617	0.3
56.05017	0.7
57.03408	0.4
57.81455	0.3
58.06599	1.0
60.08162	7.3
65.25478	0.4
67.05172	0.3
67.05491	1.3
69.03418	0.5
69.07050	0.4
70.80212	0.4
71.07368	3.1
78.83173	0.3
79.05468	1.3
81.07032	1.3
85.02852	0.4
86.09699	34.6
91.05466	0.5
93.07021	1.6
95.04937	0.8
95.08591	1.1
98.98471	2.5
104.10737	21.0
105.06999	0.5
106.96532	0.4
107.08568	0.5
119.08590	0.4
121.10119	0.6
124.99997	21.3
133.10144	0.6
135.11708	0.4
143.01022	0.6
147.11649	0.4
184.07329	100.0
185.07640	0.6
258.11157	0.6
304.46332	0.4
346.36218	0.4
367.91000	0.4
516.30695	2.8
534.31982	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	534.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	23.1
55.05906	1.9
55.63492	2.1
57.03421	5.9
57.07076	9.0
60.08184	2.9
61.02938	4.3
65.03939	2.0
67.05500	78.8
69.07066	28.6
71.04981	3.1
71.08634	4.2
71.60069	2.3
79.05489	20.4
81.07050	100.0
83.04985	3.3
83.08606	24.2
85.02895	6.6
85.06551	3.4
86.09699	17.5
91.03978	2.7
91.05472	21.1
93.07037	29.0
95.04975	3.1
95.08599	85.9
97.02887	3.0
97.06535	7.3
97.10147	18.3
99.08092	3.9
104.10738	39.4
105.07034	13.5
107.08578	18.6
109.10145	40.4
109.10905	2.0
111.08096	5.7
111.11713	3.0
113.09648	2.6
119.08574	14.2
121.10140	24.2
123.11700	23.1
125.00031	10.5
125.09634	2.1
127.11221	2.1
131.08530	2.6
133.10106	18.8
135.11678	16.2
137.13257	7.6
141.12733	3.4
147.11649	11.4
149.13268	11.5
151.11174	2.3
151.14827	6.4
155.14224	3.6
156.30290	2.1
161.13251	16.3
163.14848	9.6
165.16342	13.3
175.14838	10.4
179.17961	6.2
181.15834	2.4
184.07346	39.0
189.16425	6.0
245.22635	65.9
263.23694	90.6
337.27341	65.7
355.28476	6.3
389.64072	2.1
499.32925	4.3
534.35468	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	534.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.3
56.05030	0.5
58.06611	0.4
59.24102	0.2
60.06323	0.3
60.08165	6.2
62.40545	0.3
63.84341	0.3
67.05492	0.6
69.07064	0.5
71.07378	3.3
71.60419	0.4
71.60795	0.3
79.05489	1.2
81.07044	1.1
86.09703	28.8
91.05480	0.7
93.07043	0.7
95.08617	0.8
98.98471	2.7
104.10738	3.1
105.07020	1.1
107.08569	0.4
109.10176	0.6
117.07001	0.3
119.08590	0.9
121.10118	0.6
124.99999	20.1
127.03922	0.3
143.01051	0.7
168.90997	0.3
183.11552	0.3
184.07336	100.0
185.07671	0.7
258.63086	0.3
287.86853	0.4
498.29855	1.1
516.30774	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00465	1.1
55.05510	6.1
57.03431	5.7
59.52445	1.1
61.02919	2.0
65.03918	1.8
67.05497	5.3
69.03435	6.7
69.07067	6.7
70.06559	1.8
70.12664	1.7
70.12946	5.9
71.04990	42.2
73.02901	3.0
75.04475	4.5
79.05476	2.6
81.03407	3.8
81.07066	8.1
83.04987	10.7
83.08639	2.0
85.02900	71.5
85.06539	4.3
86.03224	1.6
87.04490	1.4
91.05478	14.1
93.07040	8.3
95.04960	2.8
95.08609	7.2
97.02908	6.9
97.06523	4.5
99.04456	2.6
105.07024	25.9
107.04925	1.6
107.08588	9.0
109.02893	1.6
109.06500	1.1
109.10172	7.2
111.04444	4.7
117.07014	2.6
119.04945	8.8
119.08576	25.0
120.05293	3.2
121.06452	1.5
121.10134	11.2
123.04453	4.0
123.08050	2.3
123.11678	2.6
127.03899	5.5
129.05476	20.2
131.08572	26.7
133.06540	1.4
133.10129	50.6
135.08032	5.4
135.11703	2.2
139.03973	1.2
143.08548	2.0
145.04959	4.1
145.10123	9.7
147.04407	42.6
147.06458	12.1
147.08099	3.0
147.10483	2.7
147.11674	51.6
148.04755	17.5
148.48628	1.0
149.09583	2.5
149.13231	1.8
153.01825	7.4
158.10930	2.7
159.11650	2.9
161.13191	5.8
163.11183	1.7
163.14870	2.9
165.05449	1.5
173.13257	66.3
175.14819	55.1
189.12636	1.7
191.14294	100.0
192.14725	2.9
203.14307	4.0
207.13771	3.0
208.14177	1.8
209.15379	1.4
221.15407	1.5
228.48019	1.2
255.08607	2.1
273.09695	1.8
291.15952	1.4
309.12048	2.0
310.09949	2.8
319.19199	2.0
323.93256	1.5
355.21088	1.9
400.76114	1.2
450.28387	1.5
534.24011	2.1
535.30859	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
55.05503	6.3
57.03431	6.8
57.07062	0.9
61.02900	1.6
67.05505	4.1
69.03416	5.4
69.07047	5.5
70.06593	1.7
71.01326	1.1
71.04984	45.0
71.61520	0.8
73.02905	3.0
75.04462	3.4
76.79321	0.7
77.37987	0.7
79.05479	3.2
80.95493	0.7
81.03403	3.2
81.07046	8.4
83.04972	9.4
83.08617	1.7
85.02893	66.2
85.06520	4.4
87.04452	1.4
91.05465	9.7
93.07038	6.7
95.04969	2.1
95.08583	4.5
97.02876	5.1
97.06523	5.1
97.91351	0.8
99.04449	2.6
101.06001	1.2
105.07014	25.8
107.04950	1.5
107.08567	9.7
109.02866	1.9
109.06535	0.8
109.10152	5.4
111.04413	4.5
117.06969	2.3
119.04910	5.9
119.08568	24.6
120.05287	2.3
121.06443	1.1
121.10126	9.1
123.04418	4.2
123.08073	3.0
123.11684	2.4
127.03883	5.6
129.05460	20.6
129.06909	2.0
130.07782	0.8
131.08556	22.2
133.10112	50.1
135.08037	3.8
135.11626	1.4
137.05972	1.1
139.03833	1.5
143.03384	0.9
143.08531	1.7
144.09375	1.0
145.04967	3.8
145.10107	9.3
147.03218	1.6
147.04393	39.0
147.06500	13.1
147.08018	2.7
147.11667	49.4
148.04707	15.8
149.09583	3.6
149.13261	1.8
153.01811	6.2
158.10927	2.6
159.11671	1.5
161.09656	1.3
161.13268	5.4
163.03896	1.0
163.06023	1.4
163.11137	1.1
163.14804	4.6
165.05426	2.4
167.07016	1.1
171.11633	1.0
173.13243	68.2
174.82718	0.8
175.14799	65.3
179.08556	0.9
189.12700	1.2
191.14279	100.0
192.14624	2.5
203.14278	3.9
207.13788	2.2
209.15221	0.9
221.15399	1.0
255.08633	2.8
273.09692	2.8
291.08484	1.0
309.11725	3.0
310.10141	1.7
319.19064	1.7
322.29132	0.9
325.04602	0.9
333.13489	0.9
335.18582	1.1
337.23721	1.1
355.20789	0.8
371.20782	1.4
412.33414	0.8
413.08936	0.9
534.25079	2.5
535.31061	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3835
Annotation	Oogoniol 2
Peak:m/z	Relative Intensity
52.03471	3.0
52.73962	2.7
53.03940	5.7
53.60766	3.2
55.05298	3.6
55.05510	36.1
57.03443	16.5
57.07058	5.1
65.03937	3.4
66.51237	2.7
67.05502	85.3
69.07071	23.1
69.39815	33.5
71.04981	7.6
79.05064	3.8
79.05489	55.6
81.03425	3.9
81.07058	87.6
83.04979	10.7
83.08612	10.4
85.06532	4.6
91.05476	40.3
92.62416	3.7
93.07040	66.2
95.04950	9.2
95.08600	59.2
97.06527	9.9
97.10166	12.5
98.21568	6.5
99.08081	3.7
99.76022	3.4
105.07021	40.2
107.08591	48.9
109.10150	32.6
117.07003	10.4
119.08559	27.7
121.10140	29.0
123.11716	9.5
129.07014	3.9
131.08574	25.0
131.67795	2.8
133.10139	27.4
135.11691	50.9
137.13245	5.7
143.08609	5.7
145.10127	25.8
147.11647	18.4
149.13263	15.1
150.19283	3.0
157.10121	12.2
159.11713	14.9
161.09563	3.5
161.13266	8.2
163.11261	4.2
163.14850	3.6
171.11674	4.8
173.13271	10.0
180.07895	4.4
181.12210	8.8
183.11642	4.2
185.13336	6.4
187.14854	6.2
199.14771	6.2
215.48683	2.9
227.96391	3.5
234.19897	3.7
243.15834	3.6
255.15901	40.6
261.22003	17.6
287.23599	3.9
305.78909	3.1
335.25769	20.0
423.32455	12.2
441.33588	10.3
459.34552	10.9
489.35901	7.1
497.35806	4.7
515.37311	100.0
533.38379	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77338	0.5
53.03932	4.0
53.34190	0.5
54.60977	0.5
55.01854	2.6
55.05493	1.9
55.63970	0.6
57.03429	6.3
59.04999	0.7
61.02921	9.9
67.05499	1.3
69.03423	29.3
69.07059	8.5
70.67677	1.1
70.68053	1.4
71.04985	3.6
73.02911	3.4
79.05490	2.1
81.03410	11.1
81.07062	3.4
83.01372	1.0
83.04978	1.0
83.08617	1.6
85.02898	90.3
87.04472	3.8
91.03933	4.0
91.05467	2.9
93.07042	3.7
95.04971	6.2
95.08607	3.7
97.02882	32.7
97.06525	3.6
99.04455	5.9
99.90565	0.6
101.02382	0.8
103.03909	0.9
103.05458	0.6
105.07044	4.2
107.04960	1.3
107.08577	4.6
109.02869	8.9
109.06489	4.4
109.10163	2.1
111.04425	0.9
115.03979	1.2
119.08548	4.5
119.72495	0.6
121.06520	2.8
121.10130	2.6
122.07304	4.0
123.04460	0.6
123.08058	17.8
123.11728	1.7
127.03902	23.6
127.07519	0.6
131.08574	1.5
133.10123	5.2
135.08041	25.6
135.11647	3.6
137.05954	1.0
137.09613	1.6
145.04950	35.3
145.10092	1.0
147.04396	1.7
147.11678	3.5
148.08823	1.1
149.09590	1.8
149.13232	1.4
153.01790	1.2
153.05475	0.6
155.11176	0.6
163.03900	1.0
163.06000	5.9
163.14833	1.3
163.22029	0.6
165.12730	18.7
169.04962	0.6
171.06534	2.3
173.13300	2.5
175.11232	0.7
175.14766	3.6
176.11946	5.0
176.29648	0.6
189.06067	0.6
189.07469	3.0
191.14288	100.0
192.14648	1.3
193.15857	14.5
207.13696	2.8
209.15344	18.2
309.16953	0.7
334.55624	0.6
353.19598	4.0
371.20749	10.7
533.25946	41.5
534.25995	0.9
549.54681	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.257
Annotation	Bistratamide F
Peak:m/z	Relative Intensity
55.05503	0.4
67.05487	0.8
69.03426	0.6
69.07057	0.4
70.06577	0.8
71.59792	0.4
73.02905	0.6
79.05487	0.6
79.58700	0.2
81.03430	0.4
81.07046	1.0
83.04941	0.3
83.08606	0.3
85.02897	0.7
91.05483	0.7
93.07021	0.6
95.05019	0.3
95.08591	0.4
97.02905	0.6
99.04458	0.3
105.07011	0.6
107.08562	0.5
109.02847	0.3
109.10126	0.4
111.04434	0.3
119.04923	0.5
119.08589	0.4
121.10135	0.3
123.04420	0.5
123.11659	0.2
125.09722	0.3
127.03887	0.3
133.10118	0.3
133.51431	0.3
135.11684	0.3
137.06003	0.3
139.03989	0.3
145.10152	0.3
147.04396	2.8
147.11671	0.2
152.43909	0.3
153.01816	1.4
169.81148	0.3
173.13177	0.3
177.05560	0.3
189.21716	0.3
201.16451	0.3
203.05176	0.3
272.18658	0.5
273.18903	0.5
275.07410	0.6
307.48340	0.3
313.16165	2.0
317.08289	1.2
319.09885	0.2
335.09445	3.1
399.23923	0.3
401.21576	1.1
445.20425	31.0
533.25665	100.0
534.25983	0.9
557.66901	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.4
55.01857	4.1
55.05498	1.7
57.03439	6.2
61.02927	7.8
65.03926	1.0
67.05492	3.7
69.03425	27.4
69.07053	5.7
69.40508	10.3
70.06591	8.3
70.32161	0.8
71.04970	3.7
71.06901	1.1
73.02901	3.0
76.59254	1.0
79.05486	3.6
81.03409	12.3
81.07053	7.6
83.01341	1.2
83.04964	1.6
83.08578	1.9
85.02898	100.0
85.06526	1.7
86.09691	1.4
87.04444	3.1
91.03955	2.6
91.05443	6.2
93.07037	7.2
95.04955	10.3
95.08596	6.4
97.02885	28.6
97.06513	4.0
99.04433	7.2
103.03955	1.1
105.07024	5.1
107.04914	1.4
107.08574	8.0
109.02871	11.2
109.06470	6.6
109.10143	4.3
115.03924	1.5
117.07003	1.1
119.04934	3.9
119.08569	6.8
121.06493	3.1
121.10123	5.7
122.07266	3.5
123.04436	3.1
123.08071	14.8
123.11668	1.8
127.03906	26.5
131.08568	1.7
133.10143	8.0
135.04373	1.1
135.08044	27.1
135.11655	3.4
136.08429	1.1
137.05936	1.2
137.09608	2.2
145.04944	27.9
145.10149	2.2
147.04405	14.7
147.11655	5.0
149.09604	2.3
149.13268	1.6
153.01793	5.7
161.05972	1.8
161.09627	1.5
163.03873	1.6
163.06004	4.1
163.11212	1.8
163.14813	2.1
165.05388	1.2
165.12740	30.8
167.07033	1.5
173.13272	2.5
175.14767	5.0
176.12000	5.1
177.05502	1.8
177.12767	1.5
189.07564	1.0
189.12791	1.2
191.14293	94.1
192.14622	1.6
193.15865	23.1
195.02945	1.5
207.13914	2.4
209.15353	23.8
219.06435	1.5
269.78467	0.9
318.21759	2.0
371.20554	5.3
533.25879	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2386
Annotation	Rzedowskin A
Peak:m/z	Relative Intensity
53.03930	0.4
55.01872	0.3
55.05498	0.3
57.03423	0.3
65.03928	0.7
67.05489	0.9
68.69202	0.2
69.03431	1.4
69.07070	0.3
70.06586	0.7
70.49899	0.9
79.05473	0.4
81.03046	0.2
81.03421	2.6
81.07037	0.5
83.04980	0.3
83.08611	0.3
85.02908	2.6
85.06547	0.6
91.05478	7.0
93.07048	0.7
95.04980	0.5
95.08598	2.8
97.02904	1.5
97.06528	0.2
99.04465	0.3
105.07050	0.7
107.08598	0.6
109.02871	1.1
109.06490	0.4
109.10165	0.4
119.04938	16.6
119.08578	1.0
121.06548	0.3
121.10113	0.7
123.04416	0.4
123.08046	2.0
127.03931	1.1
133.10098	0.6
135.11664	0.3
145.04945	0.9
147.04404	100.0
147.11687	1.0
148.04712	0.8
149.09619	3.1
153.01819	0.9
161.13239	0.5
165.05476	5.3
165.06860	0.3
165.12718	0.4
170.88774	0.3
171.11731	0.3
173.13330	0.4
174.10321	0.3
175.14792	0.3
184.54832	0.2
189.12744	1.7
191.14322	2.0
207.13783	5.3
209.15491	0.4
235.10059	0.3
255.06577	0.7
281.72794	0.2
291.08636	3.4
309.09741	6.5
353.27170	0.2
466.01959	0.3
533.18555	0.4
533.25665	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63717	1.0
53.03918	2.0
55.05290	1.1
55.05507	11.1
57.03408	4.5
57.07063	3.8
61.02902	3.9
65.03923	2.5
67.05499	64.5
69.03419	2.0
69.07071	13.4
70.32755	2.3
70.33122	4.6
71.04962	2.0
71.08595	2.3
73.31811	1.1
75.04491	1.6
79.05489	37.6
79.05929	1.2
81.07049	66.4
83.04989	1.9
83.08621	7.4
85.02921	6.4
85.06526	3.3
91.03947	2.9
91.05469	22.1
93.07037	55.9
94.07398	1.2
95.04947	4.8
95.08602	50.5
97.02862	2.3
97.06501	3.8
97.10162	3.3
99.08087	4.3
100.10661	1.1
105.07027	16.0
105.07722	1.9
107.08590	37.0
109.06494	2.7
109.10143	27.7
111.08041	1.4
111.11664	1.3
113.09571	1.3
117.07001	10.4
119.08573	15.5
121.10136	33.0
123.08041	2.3
123.11699	14.1
125.09617	1.9
131.08565	18.3
133.10133	14.9
135.10683	1.7
135.11681	28.3
137.09610	2.2
137.13245	8.9
139.07799	1.5
139.11154	1.2
143.08632	1.6
145.10120	17.8
147.11658	12.5
149.13249	20.0
151.11185	2.0
151.14789	2.3
153.12776	1.7
159.11664	13.7
161.13217	8.4
163.14810	16.3
165.12749	1.7
173.13251	14.0
175.14786	3.4
177.16328	6.5
179.14421	2.4
187.14761	8.4
191.14316	1.9
193.37898	1.4
201.16368	2.9
205.15923	2.2
215.17955	2.0
219.17380	2.1
233.22704	2.9
243.21063	34.1
250.65820	1.2
261.22119	100.0
262.22504	1.8
271.35992	1.5
279.23138	2.0
335.25809	14.6
353.26852	39.7
402.60172	1.4
422.43381	1.4
514.35773	1.8
532.36609	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99822	0.2
53.03935	0.3
54.03465	0.9
55.01869	0.5
55.04237	0.5
58.06599	0.9
67.05520	0.2
68.99786	1.5
69.03431	0.3
69.60665	1.6
70.06585	100.0
79.05493	0.9
81.03419	0.6
81.07031	1.0
85.02903	0.4
91.05472	2.7
93.03401	0.2
93.07043	0.8
95.04939	1.1
96.08085	0.2
97.02880	0.3
103.05446	1.5
105.07014	1.2
107.04943	2.9
109.06547	0.3
116.98497	0.2
119.04926	5.2
121.06497	2.4
123.04417	5.7
123.83928	0.2
129.06981	0.3
131.04973	0.5
135.04410	1.8
141.43494	0.2
143.04955	0.3
143.60074	0.2
147.04395	24.0
149.05966	5.6
151.03893	0.3
153.01794	1.1
159.04410	0.9
161.05963	5.4
163.03926	0.5
165.05429	1.2
173.06021	0.7
175.07547	1.4
177.05449	49.9
179.16061	0.2
181.54907	0.2
188.07051	0.4
189.05447	7.9
191.08482	0.3
201.05431	0.3
207.06514	0.7
214.71577	0.2
234.11218	4.6
247.07594	0.2
265.08527	0.3
269.08163	0.2
283.06299	0.3
283.09409	0.3
293.07980	0.6
311.09122	6.6
313.10812	0.6
315.07263	0.2
329.10144	0.9
368.14767	1.2
370.16464	2.6
380.03537	0.2
386.16058	0.4
397.28625	0.2
475.13843	4.6
532.19623	43.6
533.19885	0.4
535.90045	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.0
55.01856	2.7
55.05508	30.9
57.03430	5.6
57.07065	3.5
65.03939	2.8
67.05502	69.8
69.03426	1.4
69.07067	27.0
71.04986	8.4
71.59926	1.9
79.05488	49.9
81.03411	2.4
81.07053	82.5
83.04974	4.0
83.08613	19.0
85.06543	6.1
91.04898	1.9
91.05477	38.2
93.07038	48.8
95.04970	8.3
95.08600	77.6
97.06527	11.0
97.10155	5.7
99.08086	5.0
101.47672	1.2
103.05476	1.7
105.07029	24.6
106.53088	1.3
107.08597	24.3
109.06512	2.4
109.10152	19.7
111.08071	3.8
113.09676	2.0
115.52268	1.6
117.07005	7.2
119.08574	32.3
121.10140	24.7
123.08083	3.0
123.11720	6.2
131.08553	13.9
133.10126	22.6
135.11700	19.7
137.09587	3.1
137.13257	7.8
145.10103	10.3
147.11639	6.8
149.13258	8.3
157.10150	2.6
159.11737	7.8
161.13254	29.8
163.14871	1.9
169.10196	1.4
171.11765	2.3
173.13264	8.0
175.14856	2.2
179.14307	10.8
185.13289	2.4
187.14857	3.0
189.36945	1.3
197.13158	1.5
199.14883	2.2
211.14822	1.4
215.17958	1.5
224.98721	1.2
243.21059	1.7
253.17967	36.0
259.20544	1.7
261.22110	8.6
263.23730	1.9
273.22144	1.4
317.24820	1.8
335.25821	13.6
362.00119	1.4
439.35706	5.4
457.36719	4.2
513.39844	10.8
531.40491	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.01863	3.4
55.05260	2.6
55.05509	32.1
55.60203	1.4
56.22642	1.2
57.03421	5.2
57.07069	2.4
65.03939	3.1
67.05502	73.2
69.07061	27.5
69.39233	13.9
70.29028	1.4
71.04987	6.4
79.05488	53.0
79.21549	1.4
79.78937	1.3
81.03436	1.3
81.07052	94.4
83.04989	4.4
83.08612	19.7
85.06556	6.2
91.05475	41.5
93.07037	58.1
95.04965	10.8
95.08599	81.7
97.06532	8.8
97.10157	7.6
98.21474	2.3
99.08092	3.6
99.43825	1.3
101.06039	1.3
101.30025	1.4
102.63136	1.3
105.07026	32.3
105.07675	2.3
107.08578	26.1
109.06503	3.5
109.10146	19.6
111.08091	6.0
113.09666	1.9
117.07016	7.4
119.08573	29.9
119.09354	2.3
121.10125	23.9
121.10898	1.7
123.08089	3.5
123.11713	4.8
125.09639	1.8
129.07033	3.2
131.08556	16.0
133.10127	20.8
135.08057	1.6
135.11688	20.2
137.09608	2.3
137.13263	6.0
141.07002	2.0
143.08591	3.8
145.10095	12.5
145.10959	1.2
147.11697	9.4
149.13275	8.1
157.10188	4.0
159.11713	10.5
161.13240	25.4
163.11246	2.0
163.14841	5.5
169.10211	1.4
171.11703	2.2
173.13200	9.1
175.14825	4.2
179.14282	11.2
185.13315	3.0
187.14882	6.1
199.14963	2.2
201.16393	1.7
203.18030	1.7
205.15964	3.2
209.12964	1.5
219.17250	1.4
243.21153	3.2
253.17969	26.2
259.20615	1.6
261.22012	7.9
263.20447	1.6
296.96469	1.5
317.24805	2.5
335.25815	10.8
421.34842	1.6
439.35895	4.7
457.36972	3.7
513.40277	8.6
531.40509	100.0
532.40668	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
55.01865	2.2
55.05507	26.5
55.05777	1.4
57.03433	5.8
57.07074	3.7
65.03935	2.3
67.05502	56.9
69.07067	21.0
69.51848	9.0
69.52270	2.5
71.04989	6.5
71.08636	1.8
77.66522	1.1
79.05492	43.5
79.40700	1.1
80.59570	1.1
81.03421	1.7
81.07053	73.6
83.04974	4.5
83.08611	15.0
85.06545	6.6
91.05475	30.6
91.06004	2.3
93.07039	40.7
95.04989	5.7
95.08604	69.2
97.06509	8.1
97.10178	5.4
99.08093	3.1
105.07031	22.6
107.08589	22.1
109.06513	2.0
109.10163	17.8
111.08090	3.1
113.09648	1.1
117.07021	8.2
119.08581	21.1
121.10143	18.3
123.08093	3.9
123.11715	4.2
125.09638	2.3
131.08557	10.9
133.10127	16.8
133.11057	1.5
135.11696	13.5
137.09615	2.5
137.13283	4.7
143.08617	2.7
145.10127	8.0
147.11697	6.0
149.13243	7.5
159.11723	5.9
161.13255	21.5
163.14899	2.1
171.11659	2.6
173.13298	5.3
175.14861	2.5
179.14343	7.4
185.13297	1.8
187.14819	3.0
199.14885	1.6
203.05516	1.2
218.99364	1.4
243.21143	2.0
253.17973	26.2
261.21994	6.6
317.24756	2.2
332.75827	1.3
335.25775	13.3
358.51926	1.4
421.34692	1.9
435.97272	1.3
439.35791	3.2
457.37296	2.0
513.39587	9.9
519.33099	1.5
531.40125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.368
Annotation	Holstinone A
Peak:m/z	Relative Intensity
53.00301	2.2
55.05508	20.3
57.07060	5.6
65.03922	3.2
67.05502	39.0
69.03400	3.2
69.07053	14.2
71.04982	3.9
71.59715	3.2
71.60106	2.7
73.45681	2.5
79.05486	32.8
81.03443	3.4
81.07053	47.9
83.04997	3.1
83.08611	9.1
85.06560	3.3
88.61385	2.3
91.05472	30.6
93.07033	33.1
95.04955	6.6
95.08601	30.4
97.06528	7.1
97.10159	7.5
105.07017	28.1
107.05013	2.5
107.08584	27.1
109.06522	3.1
109.10139	15.3
117.06998	13.0
119.08557	32.0
121.10150	16.5
123.08042	2.9
123.11664	2.5
125.09641	6.0
128.06337	2.6
129.07011	9.6
131.08562	21.0
133.06470	2.9
133.10130	21.2
135.08037	3.3
135.11699	22.7
141.22325	2.2
142.07788	4.0
143.08568	17.8
145.10120	28.5
147.08113	2.5
147.10681	3.2
147.11649	18.0
149.09569	4.3
149.13232	4.1
151.11195	3.3
155.08578	7.9
156.09343	3.2
157.10124	15.6
159.11693	18.2
161.13252	11.3
163.11194	4.9
163.14801	2.7
169.10149	8.4
171.11725	12.2
173.13289	19.8
175.14853	8.5
181.09998	3.7
181.12270	4.9
183.11713	7.4
185.13300	9.2
187.14836	8.6
189.11256	2.8
193.12456	3.0
197.13280	6.8
199.14882	8.2
211.14778	3.3
213.16386	3.0
221.13187	3.2
223.14746	3.0
241.19547	10.1
253.14317	4.7
255.15907	22.4
259.20563	22.9
261.22144	7.4
285.22015	3.0
287.23715	4.8
297.22000	2.7
309.22205	3.0
333.24210	7.8
403.29956	3.4
411.32724	7.1
421.31082	17.5
439.32047	12.7
457.33130	12.1
483.35138	3.4
485.36166	5.8
495.34946	6.9
501.35822	6.1
503.37296	31.7
513.35797	100.0
530.13660	2.8
531.36786	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	531.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.6
55.01856	4.1
55.05508	18.2
57.03418	5.0
57.07072	1.8
65.03918	3.2
66.34394	1.3
66.58421	1.6
67.05502	82.7
69.03399	2.0
69.06728	1.5
69.07067	22.4
70.66647	4.8
71.04970	6.6
73.49983	1.5
78.65752	1.5
79.05489	47.7
79.05952	2.8
81.03410	2.1
81.07051	71.3
82.07357	3.4
83.04961	7.1
83.08624	8.3
85.06527	7.6
87.04459	3.1
91.05478	57.8
93.06487	3.3
93.07037	51.6
94.07366	2.5
95.04971	12.1
95.08604	31.7
97.06490	4.2
97.10145	1.8
99.04430	2.6
99.08066	3.0
105.04525	1.7
105.07023	50.4
107.08591	51.8
108.08883	1.9
109.06508	7.3
109.10152	71.6
111.08073	1.8
117.06995	9.9
118.50932	1.3
119.08591	13.5
121.06487	1.5
121.09441	1.5
121.10159	17.4
123.08061	2.9
123.11696	14.1
127.07510	2.8
129.06929	2.1
131.08551	11.6
133.10126	73.9
135.11700	13.4
135.75508	1.4
137.09570	1.7
139.28258	1.4
143.08525	2.6
145.10132	7.1
147.11661	6.0
149.13190	4.6
151.11180	41.3
155.08553	2.2
157.10121	2.4
159.11659	6.0
161.09564	2.1
161.13216	4.2
163.14804	1.9
169.10110	1.6
169.12216	10.0
171.11642	1.9
173.13196	5.3
175.14755	1.7
185.13182	2.2
187.14827	2.3
197.11653	2.4
215.12701	5.6
241.19704	2.7
243.20979	4.1
253.14346	84.2
261.22131	18.0
271.15262	3.6
313.73828	1.4
317.24615	3.7
411.32532	2.0
421.30948	2.0
439.31757	3.3
457.32779	5.1
513.35736	16.3
531.36841	100.0
532.37030	2.2
547.98737	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.3
55.01876	5.0
55.05509	16.0
55.36778	1.2
57.03417	3.6
57.07057	3.5
65.03925	3.0
67.05502	79.1
69.03419	2.0
69.06714	1.6
69.07064	20.1
70.12125	2.1
70.12524	2.2
71.04987	5.9
79.05491	46.2
80.61150	0.9
81.03412	2.1
81.07055	69.9
83.04965	6.7
83.08623	5.2
85.06532	8.5
87.04442	2.8
91.05477	50.6
93.07040	51.8
95.04974	8.5
95.08607	30.9
97.06501	4.3
97.10158	2.5
99.04438	4.1
105.07029	47.3
107.08588	49.8
108.08865	1.2
108.25662	1.2
109.06518	5.8
109.10149	68.1
111.08045	2.5
113.06016	1.8
117.07023	7.5
119.08579	11.4
121.10152	16.3
123.08046	1.8
123.11693	10.5
127.07542	3.5
128.06189	1.4
129.07028	1.5
131.08559	13.5
133.10123	73.2
135.11697	15.2
137.13223	1.1
143.08510	3.1
145.10097	6.7
147.11708	7.1
149.13245	7.6
151.11183	40.6
153.12675	1.2
159.11754	5.6
161.09625	2.1
161.13283	3.2
163.14827	2.5
169.12254	13.3
170.10861	1.1
173.13232	4.1
175.14806	1.6
177.05502	1.5
179.10626	2.1
185.13217	1.7
187.14777	2.4
189.65872	1.2
192.20753	1.1
215.12769	4.4
223.46210	1.0
243.21054	4.4
253.14340	82.8
256.70651	1.2
259.20520	1.4
261.22095	17.8
268.42886	1.0
271.15350	3.6
317.24652	4.0
348.00223	1.2
421.30853	1.7
439.32162	3.4
457.33060	4.4
503.36700	1.1
513.35742	13.4
531.36823	100.0
532.37231	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29101	0.7
52.93534	0.7
53.03935	3.3
55.01861	2.1
55.05259	1.2
55.05507	16.5
57.03437	8.0
57.07066	1.5
58.60756	0.7
62.70955	0.7
65.03935	1.7
67.05502	39.4
69.03420	2.3
69.07064	9.2
69.88820	0.7
71.04978	3.2
79.05489	45.1
81.03416	31.1
81.07053	41.1
83.04987	5.8
83.08615	14.6
85.02425	1.1
85.02901	15.6
85.06520	1.7
91.05476	31.5
93.07042	37.8
95.04965	17.7
95.06029	0.7
95.08605	25.8
97.02858	1.4
97.06532	4.3
97.10178	4.5
99.08095	1.4
105.07026	25.9
107.04955	3.0
107.07858	1.7
107.08589	27.5
109.06528	3.2
109.10152	10.0
111.04398	1.3
111.08099	5.5
113.06015	1.7
115.05433	1.7
117.07008	6.7
118.97911	0.7
119.08575	19.4
121.06516	1.0
121.10142	14.0
123.08058	2.9
123.11710	3.0
125.09624	3.0
129.06993	6.5
131.08559	14.7
133.06496	1.2
133.10123	13.1
135.11688	7.9
137.09633	1.2
142.07784	1.7
143.08583	3.2
145.10101	10.1
147.08058	2.5
147.11674	12.4
147.12775	1.1
147.14661	0.7
149.09639	3.1
149.13287	2.3
151.11165	1.2
153.24007	0.7
155.08597	1.6
157.10126	8.0
159.11696	6.3
161.09512	1.1
161.13213	1.3
163.11145	1.7
163.14816	1.9
165.12733	1.3
169.10101	1.6
171.11682	2.7
173.13161	4.3
175.11169	6.7
175.14807	0.8
177.12703	0.9
179.08420	0.8
183.11700	1.7
183.57538	0.8
184.40254	0.9
185.13272	1.6
187.14795	1.8
189.11249	1.8
193.12225	25.4
195.11678	0.9
208.12215	0.7
211.13269	29.8
211.15239	1.5
227.12794	2.2
229.19434	1.1
243.15849	1.2
247.20630	3.2
251.46295	0.7
253.19530	1.0
261.22067	0.8
267.15915	5.6
271.20657	1.1
273.18430	0.8
285.22046	1.0
287.23755	2.6
289.21655	1.2
303.23245	0.9
321.24310	2.6
421.31009	3.2
439.32224	3.1
457.33298	0.8
495.34973	1.1
513.35785	15.2
531.36859	100.0
531.82513	1.0
532.36945	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25595	1.8
53.03933	5.0
54.76121	2.1
55.01871	4.9
55.05507	20.9
57.03435	5.1
65.03938	5.2
65.95263	2.0
66.49180	2.0
67.05499	75.6
69.03420	4.1
69.07067	16.9
69.07386	3.2
69.84108	5.8
69.84522	7.0
71.04989	4.1
79.05491	49.2
81.03426	8.7
81.07055	73.9
83.04976	9.5
83.08616	10.7
85.02913	7.4
85.06522	6.6
91.05479	50.0
93.07040	51.5
95.04970	9.8
95.08598	29.4
97.06521	7.8
97.10152	3.1
105.07024	53.7
107.04895	2.9
107.08586	44.8
109.06525	5.3
109.10150	55.6
109.22739	1.9
111.08094	6.6
113.05980	3.6
117.06999	8.3
118.96853	2.1
119.08598	18.8
121.06548	2.8
121.10146	16.5
123.08072	3.2
123.11706	9.9
125.09611	4.2
129.06993	2.9
131.08540	16.3
133.10126	54.1
133.11078	3.6
135.08054	2.6
135.11696	15.4
143.08612	4.1
145.10071	10.7
147.11740	10.2
149.13295	6.6
151.11166	29.3
157.10101	4.4
159.11664	6.5
161.09573	3.6
161.13226	4.5
169.12280	8.8
171.11623	3.1
173.13235	5.1
175.11176	2.6
175.14793	2.7
185.13289	2.4
193.12280	9.4
211.13268	11.4
230.14746	3.7
243.20811	2.6
253.14337	61.4
253.16820	3.9
261.22086	12.4
317.24701	4.1
421.31161	2.8
457.32971	3.9
513.35760	19.9
531.36853	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67303	0.2
60.83106	0.2
64.01942	0.2
69.03426	0.2
70.06593	0.4
70.89707	0.5
81.07043	0.3
83.03178	0.2
85.02896	0.4
105.07037	0.2
107.08595	0.2
119.21664	0.2
123.04427	0.3
123.78284	0.2
131.08600	0.2
133.10139	0.3
135.11726	0.2
139.03986	0.2
145.06535	0.2
147.04433	0.3
153.01781	0.3
223.50237	0.2
323.09174	0.2
336.37903	0.2
369.29834	0.4
483.32425	0.3
513.34161	0.6
531.35004	100.0
532.35364	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	530.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31858	1.7
51.56343	1.6
53.01650	1.8
53.03955	2.0
55.01858	2.7
55.05508	18.2
57.03432	14.0
57.07064	7.5
59.04990	1.8
65.03943	2.0
67.05498	82.8
69.07063	21.0
69.92369	10.6
71.04987	18.6
71.08616	4.3
72.82999	1.6
73.02905	2.5
76.09621	2.0
79.05485	31.8
81.03411	3.8
81.07050	100.0
83.04972	7.6
83.08617	17.5
85.02880	3.4
85.06532	10.6
85.10170	3.9
89.06028	14.9
90.06347	4.4
91.05470	29.3
91.06382	2.4
93.07031	44.7
95.04939	8.7
95.08604	21.0
97.06518	11.7
97.10151	4.0
98.20829	3.2
99.08112	2.7
105.07006	12.0
107.04963	1.9
107.08588	28.4
109.06508	1.9
109.10165	14.6
111.08060	6.0
117.07014	8.7
119.08577	4.2
120.63687	1.6
121.10143	10.6
123.11683	12.5
125.09644	4.6
131.08583	9.5
133.08604	6.6
133.10123	17.0
134.08891	2.2
135.08031	3.3
135.11673	10.1
145.10028	2.5
147.11705	4.1
149.13246	22.6
151.11177	7.7
159.11674	14.5
173.11768	4.2
177.11234	2.8
177.12746	6.1
183.13708	2.7
187.13249	2.3
195.13812	8.8
213.14951	2.2
216.24812	1.9
229.14391	9.5
269.17462	39.6
301.16626	3.7
301.19989	15.2
312.70441	2.1
392.22681	2.1
423.27899	4.1
437.28970	60.5
451.30280	9.5
463.30563	58.2
495.33267	30.3
513.38367	2.2
530.35876	6.4
531.77972	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.2
57.03434	0.7
57.07073	23.5
61.02921	1.1
67.05500	1.0
69.03416	1.9
69.07062	3.7
71.08627	36.3
71.34319	1.4
73.06564	3.3
79.05491	0.9
81.03429	1.4
81.07058	1.8
83.08618	1.2
84.46040	0.6
85.02901	6.2
87.04449	1.1
89.06026	81.9
91.05475	1.0
93.07004	0.8
95.04941	0.8
95.08585	1.6
96.65946	0.6
97.02893	1.6
105.07038	1.2
107.07088	3.9
107.08594	1.1
109.10165	0.8
110.92389	0.6
113.13274	2.5
117.09112	1.4
119.08597	0.9
130.08640	2.3
133.08595	31.7
147.07965	0.8
147.11618	0.8
151.09645	2.4
157.15881	4.4
177.11220	8.4
195.12253	1.8
198.18578	1.2
201.18503	9.9
211.13310	0.8
221.13792	1.4
224.68594	0.6
233.03004	0.6
239.14877	19.4
239.17342	1.1
245.21014	5.1
255.75926	0.6
263.22375	0.8
307.24802	1.2
343.15573	0.7
351.27393	100.0
352.27762	3.1
377.62527	0.7
530.35211	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	530.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.01861	3.8
55.05256	1.5
55.05505	18.8
57.03432	16.8
57.07055	1.4
59.04992	1.8
65.03917	2.7
67.05498	29.7
69.03427	7.7
69.07058	11.1
69.45666	3.5
69.46102	4.4
71.04994	6.5
79.05483	31.7
81.03410	78.5
81.07048	36.4
83.04480	1.3
83.04978	22.7
83.08612	27.3
85.02517	0.8
85.02895	30.9
85.06546	4.0
91.05472	48.9
93.07037	22.8
95.04959	33.3
95.08594	13.2
97.02882	3.8
97.06504	5.0
97.10165	4.5
99.04440	0.8
99.08092	1.9
99.11029	1.0
103.05434	1.0
104.37279	0.8
105.04515	1.3
105.07016	27.7
107.04943	10.3
107.08581	9.6
109.06501	6.3
109.10113	3.9
111.04449	2.5
111.08057	13.0
113.05982	2.6
115.05422	2.0
117.07018	3.3
119.08568	23.6
121.06457	2.1
121.10139	11.1
123.08050	3.0
123.11689	2.0
125.09647	1.7
125.97021	0.8
127.07599	1.0
128.06163	1.8
129.06998	13.6
131.08557	14.0
133.06505	2.2
133.10117	15.5
134.34140	0.9
137.09631	2.6
142.07776	4.0
145.10106	2.1
147.08055	2.6
147.11670	20.1
147.12788	1.5
149.09590	8.1
151.11191	1.2
157.10107	20.3
163.11115	1.6
165.12746	3.4
173.13268	0.9
175.11165	19.6
193.12228	68.3
195.03116	0.8
211.13272	100.0
244.97017	0.9
249.14867	1.5
261.11981	0.8
267.15894	30.8
285.16934	98.3
287.23483	1.0
367.22717	1.5
385.23853	1.5
414.38284	0.8
440.14395	0.9
459.27469	10.0
477.28378	14.8
495.29474	38.3
530.34674	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	530.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.8
55.01860	12.0
55.05507	38.7
57.03434	18.2
57.07092	4.4
62.61742	2.9
65.03940	3.5
67.05500	86.7
69.03426	5.5
69.07066	23.8
71.04972	7.0
73.02916	6.1
79.05489	55.8
81.03400	20.3
81.07052	100.0
83.04990	16.8
83.08611	30.8
85.06553	4.5
91.05473	43.6
93.07033	61.6
93.71154	3.2
95.04965	19.6
95.08607	29.3
97.02884	2.9
97.06526	17.3
97.10171	13.6
98.07316	5.4
98.21500	7.5
101.11057	2.9
105.07021	17.5
107.04953	6.0
107.08592	39.1
109.06538	4.3
109.10141	21.2
111.08123	7.6
115.85467	2.8
116.04685	10.3
117.07029	12.1
119.08593	12.9
121.06468	6.0
121.10117	16.5
123.08047	4.9
123.11710	4.6
125.09639	20.1
129.05481	24.8
131.08553	13.2
133.10135	24.8
135.08023	3.6
135.11691	16.5
137.09630	5.2
139.92708	2.8
143.07036	3.9
145.10117	6.2
147.11684	7.5
149.09612	3.5
149.13258	21.0
157.08578	9.8
157.10097	4.3
159.11713	8.6
163.11169	6.2
173.11722	4.7
177.12692	6.2
189.11269	4.6
193.12239	6.1
195.13838	23.0
199.13266	16.3
209.11674	9.3
211.13292	3.8
213.14841	4.7
227.12831	10.9
228.87878	3.5
267.15787	7.1
269.17444	92.4
283.15317	8.4
301.16434	63.2
411.27478	10.6
423.27463	24.0
477.28473	9.0
495.29507	73.4
497.48322	3.7
512.33643	5.7
530.35193	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.0
53.03945	2.6
53.37889	0.5
55.01867	1.2
55.05505	12.7
57.03439	3.1
57.07070	2.4
58.64750	0.5
59.80259	0.5
60.56281	0.5
62.41114	0.5
65.02908	0.6
65.03928	2.4
67.05500	47.2
69.03400	0.5
69.07064	16.8
69.34501	0.8
69.34901	5.0
70.82700	0.5
71.04990	2.5
75.87057	0.5
78.42776	0.5
79.05489	33.7
81.03419	1.7
81.07053	51.1
81.41747	0.6
83.04985	3.6
83.08609	9.9
85.06547	2.1
91.05476	20.9
93.07036	47.2
95.04966	5.9
95.08597	24.3
97.06530	5.2
97.10166	2.0
99.08090	2.1
105.04546	1.1
105.07024	13.2
107.08590	25.2
109.06520	1.7
109.10154	7.1
111.08079	4.5
113.09631	0.7
117.07007	6.8
119.08566	7.8
121.06496	0.5
121.10129	20.2
123.08090	0.7
123.11697	2.5
129.07005	2.0
130.07784	0.6
131.08559	10.4
133.10121	8.9
135.08054	0.8
135.11697	8.6
137.09543	1.0
139.11185	1.3
143.08574	1.8
145.10110	7.1
147.11671	5.5
149.09624	0.8
149.13254	20.2
155.08545	0.9
157.10117	2.9
159.11678	12.2
161.13217	3.4
165.12769	0.7
171.11717	1.3
173.13203	2.9
175.14795	0.8
177.12691	3.7
183.11784	0.9
185.13293	1.9
187.14839	1.7
195.11955	0.9
195.13783	6.8
199.14857	0.8
201.16354	1.2
209.13338	0.6
211.14769	0.6
213.14830	1.0
243.21141	1.3
256.26343	2.1
261.22189	4.0
311.23965	0.6
317.24860	0.9
331.77240	0.6
341.24734	0.6
404.54639	0.6
419.32971	1.3
437.34177	3.6
455.35376	1.1
511.37833	1.6
529.38873	100.0
530.39166	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36741	0.6
50.71629	0.7
53.03931	3.0
55.01865	1.8
55.05262	1.0
55.05510	13.2
57.03439	3.2
57.07072	1.7
57.60086	0.7
65.03929	2.5
67.05501	47.5
69.07066	15.1
71.04980	3.5
72.44020	0.6
78.33103	0.6
79.05490	40.5
81.03403	1.5
81.07053	51.6
83.04967	3.0
83.08617	7.5
85.06536	1.7
91.05476	20.3
93.07040	45.0
95.04965	6.7
95.08605	22.9
97.06527	5.9
97.10181	1.8
98.21487	2.0
99.08074	2.0
105.04499	0.6
105.07019	11.8
107.08594	20.3
109.06493	1.3
109.10162	6.5
111.08075	2.8
117.07005	9.3
119.08590	7.9
121.10134	18.1
123.08086	0.7
123.11716	1.5
129.06989	1.3
131.08565	11.4
133.10109	6.9
135.08080	0.7
135.11678	10.2
138.98346	0.7
139.11137	1.2
141.07005	1.0
143.08572	2.4
145.10133	6.8
147.11647	3.9
147.34550	0.7
149.09720	0.7
149.13258	18.4
157.10147	2.4
159.11688	10.6
161.13274	2.5
169.10182	1.1
171.11716	2.2
173.13263	2.9
175.14798	1.4
177.12758	2.9
181.10228	0.7
183.11711	1.6
185.13292	1.4
187.14775	1.4
187.72255	0.6
195.12076	1.2
195.13737	5.5
199.14740	1.0
208.31563	0.7
213.14816	0.8
243.21179	1.4
261.22226	3.7
299.23816	1.0
355.41776	0.7
370.93869	0.7
419.32950	0.7
424.34128	0.7
437.34143	2.9
455.35028	1.9
460.93936	0.7
473.36346	1.0
511.37823	1.9
529.38873	100.0
530.39252	1.9
549.05206	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
53.03947	2.8
53.04153	0.4
55.01872	1.8
55.05510	11.5
57.03439	2.5
57.07078	1.9
65.03945	2.5
65.04223	0.4
67.05502	41.6
69.03434	0.6
69.07064	15.6
70.66338	0.9
71.04988	3.3
77.03912	1.0
79.05490	33.2
81.03410	1.3
81.07053	44.0
83.04973	3.1
83.08617	8.1
84.11064	0.4
85.06532	2.2
91.05476	19.7
91.25257	0.4
93.07038	42.9
94.07407	0.5
95.04971	5.3
95.08604	23.2
97.06526	5.7
97.10168	2.6
99.08114	1.2
105.04508	0.7
105.06309	0.4
105.06511	0.3
105.07024	14.1
107.08588	20.9
109.06508	2.1
109.10151	7.6
111.08089	3.9
111.11738	0.8
112.65959	0.4
117.07001	7.9
119.08577	10.4
121.06468	0.6
121.10136	15.5
123.08077	0.8
123.11716	2.2
125.09600	0.8
128.06198	0.5
128.94366	0.4
129.06961	2.9
130.07765	0.4
131.08565	13.4
133.06705	0.4
133.10118	8.7
133.11070	0.6
135.08078	0.8
135.11681	8.9
137.09644	0.5
137.13290	0.5
139.11172	1.0
141.06929	0.5
142.07809	0.7
143.08533	3.9
145.10129	9.2
147.11687	5.3
149.09641	0.6
149.13246	15.8
155.08601	1.1
157.10114	3.2
159.11678	10.8
161.13280	2.7
163.14842	0.8
169.10152	1.2
171.11693	3.3
173.13251	4.5
175.14853	1.2
177.12674	2.9
181.10204	0.7
183.11699	1.3
185.13252	2.4
187.14789	2.7
189.16457	0.4
195.11853	0.7
195.13757	5.0
197.13277	1.5
199.14786	1.3
201.16431	1.0
209.13312	1.1
211.14880	0.9
213.16441	0.8
215.17921	0.5
223.14778	0.5
239.17903	0.5
243.21063	1.0
256.26413	1.6
261.22186	3.0
269.17599	0.4
285.22195	0.7
299.23758	0.5
311.23660	0.5
313.25150	0.4
315.23145	0.4
317.24765	0.8
325.25598	0.5
374.07526	0.4
419.33047	1.1
437.34143	5.1
455.35159	2.9
473.36649	0.9
493.36786	0.7
511.37683	2.7
529.38867	100.0
530.39160	2.3
552.69403	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
55.01863	1.2
55.05260	0.7
55.05508	11.9
57.03428	2.3
57.07067	1.7
65.03928	1.4
67.05500	37.5
69.03424	0.6
69.07062	11.6
70.06631	0.4
70.85487	1.8
71.04984	2.0
71.08624	0.5
79.05487	30.2
81.03421	1.4
81.07050	44.8
83.04967	2.2
83.08616	7.6
85.06536	2.3
91.04903	0.6
91.05476	20.4
93.07039	37.5
95.04964	4.6
95.08599	21.6
97.06519	3.9
97.10163	1.8
98.21453	0.7
99.08086	1.3
105.04553	0.7
105.07024	13.4
107.08593	21.4
107.84029	0.6
109.06513	1.9
109.10156	7.3
111.08080	2.2
115.05421	0.7
116.99623	0.5
117.06999	8.0
119.08572	8.7
121.06524	1.2
121.09306	1.1
121.10141	14.8
123.08032	1.2
123.11719	3.0
123.62619	0.5
125.09641	0.5
128.06215	0.7
129.07007	2.7
131.08559	12.4
133.10121	9.6
135.08086	0.6
135.11682	9.1
139.11154	0.5
141.06996	0.9
143.08562	2.8
145.10110	8.3
147.11685	5.4
149.09534	0.6
149.13254	9.6
151.11189	1.0
152.25645	0.6
155.08571	1.8
157.10147	3.9
159.11693	8.4
161.13260	2.5
163.14818	1.0
169.10141	2.0
171.11620	2.6
172.06767	0.5
173.13231	4.8
175.14786	1.1
177.12762	2.3
183.11681	1.1
185.13304	2.0
187.14809	3.0
195.11990	1.1
195.13800	7.5
197.13258	1.2
199.14870	1.4
201.16451	0.5
213.14787	0.7
223.14830	0.8
225.16559	0.6
243.21147	0.9
253.17961	0.8
256.26303	5.4
261.22153	1.6
283.20639	0.7
285.22336	0.8
311.23944	0.7
317.24719	0.7
419.32843	0.7
437.34079	5.1
455.35083	2.6
473.36288	1.1
511.37747	3.8
529.38873	100.0
530.39368	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48237	0.1
55.05511	0.1
58.76891	0.2
59.68402	0.1
62.97431	0.1
67.05497	0.2
69.03416	0.2
69.07047	0.4
71.60442	0.2
81.07055	0.2
85.02910	0.2
95.08601	0.3
109.10128	0.2
111.11758	0.2
123.04414	2.1
129.12732	0.2
130.13113	0.1
139.03867	1.0
155.08627	0.1
182.35272	0.1
273.07553	0.3
367.27548	0.1
379.95468	0.1
499.32278	2.5
511.32077	0.1
529.33417	100.0
530.33746	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
53.52099	0.5
55.01860	0.7
55.05267	0.6
55.05511	9.9
57.03428	2.2
57.07065	1.6
58.50349	0.5
65.03926	1.7
67.05499	33.5
69.07063	9.7
71.04984	2.0
71.52160	1.1
74.31433	0.5
77.03912	0.7
79.05489	25.9
81.03406	1.7
81.07053	39.0
83.04985	2.2
83.08607	7.3
83.59754	0.5
85.06537	1.1
91.05473	17.3
93.07037	31.7
95.04970	5.3
95.08601	22.5
97.06522	2.9
97.10163	1.9
99.08061	1.1
105.04545	0.9
105.07024	13.1
107.04987	0.5
107.08586	15.3
108.76344	0.6
109.06503	1.2
109.10146	7.2
111.08075	2.2
115.05441	0.8
117.07002	6.9
119.08569	10.1
121.06557	0.8
121.10133	11.9
123.08099	1.2
123.11705	2.8
125.09717	0.6
129.07018	3.4
131.08554	11.7
133.10109	9.9
135.08096	0.8
135.11696	8.7
137.09616	0.7
137.13251	0.7
139.11110	0.7
141.06955	0.7
143.08551	3.5
145.10124	8.6
147.11687	4.8
149.09631	0.6
149.13248	7.7
155.08575	1.8
157.10138	3.5
157.98170	0.6
159.11676	9.4
161.13184	2.8
163.14825	0.8
167.08533	0.6
167.14352	0.6
169.10110	1.3
171.11642	3.6
173.13251	4.0
175.14854	1.1
177.12730	1.8
177.16258	0.6
181.10104	0.9
183.11705	2.0
185.13300	2.6
187.14771	2.0
189.16473	0.5
193.12247	0.7
195.11897	1.1
195.13745	7.1
197.13260	0.9
199.14857	1.4
201.16470	1.4
209.13310	0.8
211.14799	0.7
213.16441	1.3
223.14795	1.0
225.16406	0.7
243.20947	0.8
253.17920	1.0
259.20679	0.9
261.22116	2.1
285.22250	0.8
297.21945	0.7
317.24872	1.0
364.05951	0.6
419.33096	1.5
437.34125	7.2
455.35376	2.5
473.36420	1.3
493.36813	1.3
511.37741	5.1
529.38861	100.0
530.32214	0.7
530.38977	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.6
56.13314	0.7
57.07072	28.9
58.51960	0.8
59.04980	1.3
67.05497	6.2
68.05835	1.1
69.07057	3.4
69.94659	2.1
69.95065	1.6
71.08630	27.4
73.06549	7.1
79.05497	5.7
80.05814	0.9
81.03397	3.8
81.07065	4.5
82.07390	1.2
83.04981	1.0
83.08621	5.3
85.09660	1.3
85.10178	27.8
87.04465	5.3
89.06026	100.0
91.05476	3.5
91.07594	1.2
92.05804	1.5
93.07032	3.9
95.04974	2.1
95.08601	3.2
96.08918	1.0
97.06514	0.7
97.10161	2.8
99.11734	3.3
105.07024	4.0
107.07066	4.3
107.08595	2.7
109.10128	2.0
117.07015	1.3
117.09130	4.9
119.08579	2.7
125.09579	0.9
127.07666	0.8
129.07004	1.9
130.08655	3.6
131.08577	2.0
133.08594	50.0
135.10121	1.5
141.16400	4.7
143.08495	2.1
145.10127	1.2
146.10498	0.9
156.08939	0.7
157.10085	1.5
158.10527	1.0
159.11681	2.0
161.11697	1.3
169.10118	1.9
170.10454	0.8
170.62355	0.8
171.11743	1.1
172.12004	0.9
173.13153	0.9
174.13655	1.0
177.11223	26.2
185.13263	0.9
185.18990	7.3
193.12167	0.8
194.12535	0.9
199.14862	0.9
213.79327	0.7
221.13797	4.0
226.21671	1.7
229.21625	13.4
235.47523	0.8
239.14856	1.7
265.16525	1.0
273.24225	7.7
283.17615	3.6
327.20169	2.0
371.22635	8.3
379.30426	1.2
423.33267	1.5
436.32852	2.3
454.33804	2.3
467.35950	1.7
472.35431	1.7
510.36636	2.3
511.38446	17.8
528.37543	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	529.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
55.01871	8.4
55.05512	8.1
56.36048	1.2
57.03430	4.0
59.13010	1.2
60.28670	1.1
67.05167	1.8
67.05504	23.4
68.09921	1.0
69.03421	1.8
69.07066	16.8
71.04994	2.2
73.02942	1.2
73.80139	1.0
77.03870	1.5
77.91851	1.0
79.05487	15.1
81.03413	7.7
81.07051	23.3
83.04980	4.6
83.08619	4.2
85.02888	2.8
85.06539	1.3
91.05481	18.4
92.75166	1.3
93.07037	13.6
93.37946	1.2
94.81347	1.0
95.01306	6.5
95.04979	6.1
95.08599	15.2
97.06522	11.9
97.10197	1.3
98.21522	2.0
105.07027	27.6
107.04948	9.9
107.08593	7.2
109.02866	1.6
109.06519	3.1
109.10150	4.7
111.08106	2.0
117.06977	7.1
119.08564	14.9
120.67071	1.0
121.06549	1.6
121.10143	5.2
123.04462	2.5
123.08088	2.5
123.11716	1.9
124.44261	1.2
129.06989	1.7
131.08563	10.1
133.10120	14.1
135.11684	5.2
137.06012	1.2
143.08553	1.8
144.12077	1.0
145.06462	2.2
145.10124	8.9
147.11653	7.2
149.09634	3.6
149.13269	2.2
149.42554	1.2
151.11171	1.4
155.08479	1.1
157.10118	2.1
159.11700	7.4
161.13234	1.7
163.11198	2.5
169.10168	1.7
171.11722	2.6
173.13358	1.4
177.12775	3.1
179.14322	7.6
183.11674	1.5
187.11197	3.6
187.14888	1.2
197.13203	1.7
247.20596	1.5
257.19107	2.6
275.20071	33.0
293.21249	1.4
349.23721	100.0
350.23993	1.5
367.18179	1.3
472.40326	1.1
511.29004	2.0
525.13757	1.2
529.34674	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	528.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01863	3.3
55.05503	6.5
57.03428	5.8
57.07069	12.1
59.04999	2.8
61.02916	5.9
64.28548	0.6
64.73988	0.6
67.73479	0.6
69.03426	12.3
69.07062	53.2
70.06580	1.9
70.67717	1.9
71.01331	1.7
71.04983	5.0
71.08624	8.7
71.71315	0.6
73.02908	23.8
73.06548	10.0
79.05492	0.8
81.03423	1.5
81.07059	1.2
81.45487	0.7
82.35934	0.5
83.04959	0.6
83.08601	2.6
85.02894	24.6
85.10172	5.0
86.03194	0.5
87.04451	1.4
89.06023	28.1
91.03968	1.0
95.04954	0.6
95.08565	0.7
97.02880	18.7
97.03507	1.2
99.04448	1.0
99.11752	1.1
103.03936	0.8
109.02836	1.7
111.11709	80.9
115.03906	8.4
123.04462	0.8
127.03899	7.0
129.12741	100.0
133.04948	9.4
145.04948	8.5
153.01843	1.6
163.05972	1.9
170.15388	1.5
193.15868	0.7
199.16917	23.3
217.17964	41.9
219.46141	0.6
223.05960	1.4
241.07018	1.8
257.18826	0.7
259.08124	1.4
295.10114	0.9
325.07019	1.0
342.01941	0.6
382.12799	1.8
450.89145	0.7
528.31964	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	527.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.8
55.05492	3.2
57.07071	30.3
59.05007	1.0
61.51164	0.6
67.05505	5.7
69.07066	5.0
70.62348	2.2
70.62714	1.3
71.08626	46.1
73.06541	6.0
79.05486	2.1
79.53638	0.7
81.03413	3.4
81.07052	3.0
83.05006	0.9
83.08611	2.2
87.04455	6.7
89.06024	100.0
90.06402	0.7
91.05432	3.3
93.07034	2.3
95.04939	1.1
95.08617	2.1
97.06539	0.8
105.07032	2.7
107.07067	5.7
107.08603	1.4
109.10149	2.9
111.11688	1.3
113.13264	3.6
117.06999	1.2
117.09126	6.3
119.08602	2.2
121.10136	1.5
130.08601	5.6
131.07028	1.5
131.08582	1.4
133.08589	49.2
145.10117	1.6
155.08473	0.7
157.15851	6.4
159.11678	0.8
161.11717	1.1
165.25929	0.7
173.11676	0.8
177.11209	13.7
177.12662	0.9
198.18588	2.0
201.18469	5.4
221.13808	1.1
245.21132	2.7
261.18451	0.7
283.17392	0.8
285.10483	0.8
305.31427	0.7
415.25052	0.9
424.10876	0.7
527.28394	1.8
527.37360	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01732	0.7
53.66018	0.8
55.01856	3.0
55.05504	10.8
57.03431	5.4
57.07067	13.1
59.04978	3.0
61.02917	4.4
67.05490	2.2
69.03429	11.3
69.07060	51.9
69.51588	1.9
69.52011	5.3
70.06585	2.0
71.01345	1.7
71.04983	6.7
71.08627	8.4
73.02911	20.3
73.06556	9.5
75.28912	0.8
79.05473	1.9
79.70092	0.8
81.03400	2.9
81.07027	3.5
83.04948	0.9
83.08603	2.0
85.02891	24.0
85.10191	4.4
87.04463	2.2
89.06021	30.2
91.03954	0.8
91.05465	1.5
93.07033	1.1
95.04931	1.0
95.08602	1.5
97.02280	1.4
97.02877	16.9
97.06506	0.9
98.21439	1.6
98.97565	1.0
99.04417	1.2
99.11726	1.1
105.07028	1.7
107.04978	1.5
107.08581	1.1
109.02854	1.9
109.10130	2.4
111.11706	84.9
112.12074	1.0
115.03896	6.7
116.98674	1.4
119.08568	1.1
123.04425	7.7
127.03916	6.9
129.12740	100.0
133.04953	7.6
133.10161	1.2
135.11699	1.0
139.03926	4.4
141.88737	0.7
145.04955	6.1
145.80356	0.8
147.04413	1.5
147.11610	0.8
153.01814	1.1
158.10504	0.8
163.06013	2.2
167.07022	2.8
170.15405	1.6
199.16913	27.6
217.17958	36.2
241.07120	1.5
259.08081	1.7
325.06992	1.0
366.29312	1.3
381.28644	0.8
445.14313	0.8
528.24414	1.8
528.31989	7.0
529.33386	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.5
52.73742	0.4
53.03940	1.5
55.01862	2.0
55.05508	11.7
56.45218	0.3
56.96043	0.3
57.03434	2.1
57.07070	1.8
59.04997	0.5
65.03931	1.2
67.05499	22.3
69.03422	0.9
69.07063	8.0
70.22010	1.9
71.04987	2.5
71.08633	0.6
79.05488	16.5
81.03413	9.8
81.07050	19.3
83.04974	1.9
83.08611	7.0
85.06531	1.2
89.06039	1.6
90.17670	0.3
91.05474	15.0
93.07033	14.3
95.04972	5.5
95.08599	14.6
97.06537	1.7
97.10171	5.1
99.08101	0.4
103.05458	0.7
105.07027	15.0
107.04967	1.4
107.08582	9.8
107.09280	0.6
109.06509	1.1
109.10140	7.9
111.08070	2.5
115.05454	1.2
117.06998	8.3
119.08572	10.5
121.06518	0.7
121.10139	6.9
123.08060	1.5
123.11713	1.1
125.09610	3.4
128.06169	1.9
129.06989	8.4
129.07893	0.7
130.07738	0.7
131.08557	14.8
131.09508	0.8
133.06468	0.5
133.08624	0.8
133.10124	7.5
135.08034	1.0
135.11684	4.2
137.09598	0.9
141.06981	2.4
142.07758	2.1
143.08540	9.4
143.10512	0.4
144.09323	0.5
145.06448	0.5
145.10117	10.3
147.07957	0.4
147.11668	5.3
147.12764	0.4
149.09644	0.9
149.13264	2.1
154.07814	0.4
155.08536	7.2
155.10521	0.6
156.09363	1.1
157.10114	10.6
157.11288	0.7
159.11684	8.2
161.09639	0.7
161.13255	2.6
163.11143	0.9
163.14810	0.8
165.12712	0.5
167.08571	2.0
167.32806	0.5
168.09372	0.9
169.10139	6.5
170.11021	0.5
171.11665	7.5
173.09676	0.9
173.11806	0.6
173.13243	5.9
175.11182	1.8
175.14853	1.3
177.12675	0.4
179.08635	0.6
181.10114	4.0
182.10899	0.7
183.11676	8.5
183.13170	0.5
185.13255	5.8
187.11206	0.8
187.14746	2.2
189.11229	1.5
193.10194	1.3
193.12279	4.9
195.11707	3.4
197.13242	5.5
199.11206	0.6
199.14845	3.5
201.12860	0.5
201.16382	1.0
207.11691	1.5
209.13245	2.7
211.14868	3.3
213.12978	0.5
213.16396	2.0
215.14320	0.5
219.11646	0.5
221.13303	1.4
223.14787	2.5
223.89856	0.4
225.16437	1.8
227.18153	0.7
231.13782	0.5
235.14886	1.3
237.16385	1.1
243.17464	0.7
243.21219	0.9
249.14595	0.5
249.16643	0.8
251.18150	0.8
257.19019	0.5
261.22144	1.5
265.19629	0.5
267.17459	0.4
269.19144	0.7
271.20758	0.4
273.18695	0.6
273.22018	0.5
275.20340	0.5
283.20648	0.8
291.20850	0.6
295.20752	0.6
297.22263	0.7
299.20251	0.7
299.23834	1.2
301.25381	1.0
309.22125	1.2
311.23672	1.1
313.21823	1.0
315.23297	0.5
323.23926	1.2
325.21622	0.5
325.25253	0.7
327.23288	1.1
337.25104	0.6
341.24915	0.8
353.24698	0.5
365.24701	0.5
367.26361	0.9
401.26770	0.5
407.33356	0.6
414.43494	0.5
417.31445	4.1
435.32553	12.4
435.38330	0.7
453.33640	8.2
471.34668	3.4
473.34103	1.4
491.35168	1.8
509.36240	7.9
527.37366	100.0
528.37701	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	527.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01857	1.5
55.05267	0.8
55.05512	10.1
57.03438	2.1
57.07061	1.4
59.04998	0.6
65.03931	1.1
67.05502	22.2
69.03416	1.0
69.06718	0.5
69.07067	7.2
70.86703	0.8
71.04995	1.9
75.61002	0.3
79.05490	15.1
81.03416	9.1
81.07053	19.1
83.04984	2.7
83.08619	5.9
85.06533	1.0
91.04898	0.5
91.05476	14.4
93.07036	14.5
95.04961	5.1
95.08601	13.6
95.09061	0.3
95.09223	0.5
97.06534	2.1
97.10169	3.9
99.08103	0.5
103.05490	0.4
105.07028	14.3
107.04952	1.4
107.08592	9.9
109.06504	1.3
109.09434	0.7
109.10145	6.6
111.08076	1.5
115.05441	1.5
117.07005	6.9
119.08576	11.1
121.06464	0.8
121.10142	6.3
123.08058	1.0
123.11701	1.6
125.09615	2.9
128.06206	2.2
129.07004	9.5
130.07802	0.4
131.08563	14.5
133.06439	0.4
133.10127	8.1
135.08064	0.8
135.11691	4.2
137.09605	0.8
141.06987	2.8
142.07755	1.9
143.08557	11.0
144.09309	0.4
145.06505	0.6
145.10117	13.1
147.08054	0.8
147.11690	5.5
149.09618	0.9
149.13281	2.1
154.07797	0.7
155.08545	6.8
155.09709	0.6
156.09343	0.6
157.10118	11.5
158.10667	0.5
159.08040	0.4
159.11693	10.2
161.09633	0.6
161.13277	2.2
163.11131	0.4
163.14824	0.7
166.07770	0.6
167.08578	2.1
168.09306	0.9
169.10117	8.3
170.10863	0.6
171.11685	8.8
173.09596	0.6
173.11874	0.4
173.13255	6.0
175.11183	1.9
175.14819	1.2
177.12749	0.4
179.08542	0.9
180.09300	0.5
181.10129	3.9
182.10794	0.4
183.11694	6.6
184.12381	0.5
185.09691	0.4
185.13263	5.7
187.11130	0.6
187.14743	2.6
189.11232	0.8
189.12778	0.4
193.10118	1.2
193.12247	3.7
194.10866	0.6
195.11693	4.0
196.12416	0.5
197.13287	5.9
199.11185	0.5
199.13199	0.7
199.14801	3.7
201.12651	0.4
201.16454	1.1
203.14320	0.5
205.10229	0.5
207.11723	1.3
209.13231	3.7
211.11324	0.4
211.13213	0.5
211.14857	3.6
213.16432	2.1
215.14259	0.6
219.11655	0.6
221.13177	1.2
223.11346	0.4
223.14873	3.0
225.16353	2.1
227.14407	0.4
227.17995	1.1
229.15985	0.4
235.14851	1.4
237.16376	1.5
239.17961	1.2
241.19644	0.4
243.21062	0.5
249.16524	0.6
251.18073	0.6
253.15723	0.6
257.15616	0.5
261.22067	1.7
263.17981	0.9
267.21011	0.6
269.19019	0.7
271.20535	0.8
281.19049	0.4
283.20697	0.5
283.24344	0.4
285.22305	0.5
295.20718	0.7
297.18484	0.4
297.22110	0.9
299.20380	0.4
299.23514	0.7
305.22775	0.8
309.22272	1.7
311.20334	0.6
311.23734	1.4
313.21515	0.6
317.24561	0.5
321.22089	0.5
323.23685	1.1
325.25305	0.6
327.23294	1.0
329.24838	0.5
335.23422	0.6
337.25226	0.7
339.23236	1.1
341.24875	1.4
349.25345	0.5
353.24860	0.6
355.26300	0.6
367.26413	0.5
379.26221	0.5
393.28012	0.6
417.31522	4.7
435.32568	12.4
436.33121	0.7
453.33655	7.0
454.34564	0.4
471.34869	3.3
473.33658	0.8
485.32654	0.4
491.35312	1.9
509.36240	7.7
510.36401	0.6
521.33148	0.3
527.37317	100.0
528.37683	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	527.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65100	0.4
53.03930	2.3
55.01868	3.0
55.05505	15.1
57.03437	2.6
57.07065	0.9
59.05009	0.6
65.03936	1.5
67.05500	33.3
68.05806	0.7
69.03413	1.1
69.07060	10.0
70.66447	1.0
70.66782	0.6
70.75187	0.4
71.04980	2.2
77.03905	0.7
79.05487	24.3
81.03414	15.8
81.07053	31.5
83.04979	4.0
83.08619	8.9
85.06539	1.6
91.05475	24.9
91.05946	0.5
93.07037	23.9
94.07449	0.5
95.04961	8.4
95.08601	17.5
97.02824	0.5
97.06541	3.5
97.10163	5.2
98.84132	0.6
99.08088	0.8
103.05472	0.5
105.04513	0.6
105.07021	19.1
107.04965	3.5
107.08583	13.7
109.06499	1.9
109.10143	9.7
109.10827	0.8
109.54608	0.5
111.08080	2.1
115.05455	1.3
117.07009	10.6
119.08567	15.9
121.06485	1.6
121.10134	9.6
123.08049	1.6
123.11708	2.0
125.09631	3.7
128.06200	2.7
129.06995	9.8
129.07896	0.7
130.07768	0.8
131.08551	16.6
133.06479	0.7
133.10118	11.9
135.08078	1.4
135.11691	5.3
137.09584	1.1
137.13235	0.5
139.11180	0.5
141.07004	1.9
142.07764	2.3
143.08542	10.6
144.09349	0.9
145.10121	12.5
147.08037	1.1
147.11690	7.5
149.09619	1.6
149.13232	2.5
151.11134	0.7
153.07048	0.7
154.07790	0.8
155.08543	6.0
156.09346	1.0
157.10130	12.7
159.08057	0.6
159.11685	9.3
161.13225	2.8
163.11211	1.4
163.14819	1.4
165.12781	0.7
167.08505	2.5
169.10104	7.4
170.10786	0.6
171.11671	8.5
173.13229	6.8
175.11195	2.3
175.14874	1.6
177.12700	0.5
179.08617	0.9
181.10063	3.7
182.11079	0.6
183.11674	7.7
184.12410	0.6
185.13246	6.6
187.11201	0.6
187.14780	3.5
189.11224	1.7
193.10376	0.9
193.12212	8.4
195.11650	3.0
197.13222	5.4
199.14812	3.8
201.16431	0.8
207.11703	1.3
209.13203	2.8
211.14928	2.9
213.16460	1.2
221.13246	1.1
223.14790	2.1
225.16444	1.6
227.17879	1.0
235.14864	1.1
237.16400	1.2
239.17940	0.6
241.19543	0.7
243.21049	0.9
249.14925	1.9
261.22171	2.5
267.15817	0.9
269.18915	0.7
283.20508	1.1
297.22247	1.1
301.25336	1.4
309.21967	1.1
311.23608	1.1
315.23132	0.7
317.24646	0.8
323.23700	1.4
327.23221	1.2
337.25226	0.6
339.23254	0.7
417.31476	3.2
435.32550	9.9
453.33658	6.0
471.34799	4.4
473.34109	1.4
491.35175	1.3
509.36325	7.5
527.37292	100.0
528.37524	3.9
549.84467	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
55.01857	1.9
55.05259	0.9
55.05505	11.6
57.03432	1.9
57.07050	0.9
64.33089	0.5
65.03948	1.1
67.05496	24.9
67.86957	0.5
69.03414	1.3
69.07055	7.6
70.02575	0.5
70.69207	1.7
71.04984	1.3
79.05487	18.4
81.03412	17.0
81.07047	20.2
83.04983	1.8
83.08608	8.5
85.06516	0.7
91.05472	16.5
93.07031	18.3
95.04958	7.5
95.08596	14.0
97.02867	0.9
97.06541	2.0
97.10154	4.9
99.08086	0.8
103.05426	0.6
105.07016	14.9
107.04953	1.6
107.08583	10.8
109.06519	1.6
109.10145	6.6
111.04375	0.5
111.08089	2.6
113.02817	0.5
113.09759	0.5
115.05469	1.0
116.06217	0.5
117.07006	8.4
118.92169	0.5
119.07780	1.0
119.08572	12.1
121.06503	1.2
121.10134	8.0
123.08063	0.7
123.11677	2.0
125.09606	2.5
126.83207	0.5
128.06218	1.5
129.06998	8.5
130.07797	0.8
131.08557	14.1
133.10101	7.3
133.10948	0.7
135.08075	1.1
135.11694	4.4
136.53716	0.5
139.11099	0.5
141.06996	3.1
142.07747	2.5
143.08546	9.3
145.10095	10.0
147.08054	0.9
147.11655	4.4
148.38269	0.5
149.09645	1.1
149.13258	2.1
154.07819	0.7
155.08519	5.4
156.09303	0.6
157.10106	9.6
159.11678	7.0
161.09615	0.6
161.13287	2.1
167.08557	2.1
168.09412	0.7
169.10095	5.2
171.11655	6.0
173.13211	5.0
175.11192	2.0
175.14784	1.1
179.08540	1.0
181.10071	3.0
183.11708	4.6
185.13257	5.0
187.14821	1.8
189.11287	1.2
193.10336	1.2
193.12257	6.0
195.11670	2.6
197.13240	5.2
198.97427	0.7
199.14830	2.7
201.16322	0.7
207.11632	0.6
209.13293	2.3
211.14847	2.6
213.12805	0.5
213.16400	1.9
221.13200	1.2
223.14853	1.2
225.16423	0.7
235.14766	1.1
237.16367	0.8
239.17934	0.9
241.19650	0.5
249.14848	1.5
257.19086	0.7
259.20477	0.7
261.22174	1.8
283.20657	0.9
295.20731	0.6
297.22299	0.6
299.23581	0.7
301.25211	0.7
315.23114	0.8
317.24759	0.9
323.23825	1.0
325.21671	0.6
327.23279	0.7
339.23102	0.6
349.25052	0.5
351.27161	0.6
353.24841	0.6
407.33197	1.0
417.31372	2.6
435.32523	9.2
453.33621	5.2
471.34787	3.0
473.33743	0.6
509.36411	5.8
527.37286	100.0
528.37787	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	527.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.9
55.01868	9.6
55.05506	25.6
57.03436	12.3
59.05008	2.0
61.02673	1.8
61.02927	16.5
65.03948	1.8
67.05502	39.3
69.03428	23.5
69.06714	2.6
69.07063	26.5
69.23900	1.4
71.01349	2.7
71.04982	5.3
71.60942	2.8
73.02908	8.0
79.05491	30.6
81.03413	30.2
81.07047	33.3
83.04991	10.6
83.08612	14.3
85.02904	21.1
87.04453	2.3
91.03958	6.3
91.05476	23.1
93.07031	21.2
95.04959	12.8
95.08578	13.8
97.02885	24.5
97.06519	5.4
97.10162	17.2
99.04450	5.9
101.02383	4.1
103.03928	2.7
105.07022	16.3
107.04944	9.3
107.08590	18.1
109.02853	7.3
109.06529	7.2
109.10130	15.6
111.04430	2.7
111.08018	3.5
115.03990	2.3
115.05449	1.8
117.07024	9.8
119.04903	2.0
119.08553	14.7
121.06511	6.2
121.10137	8.6
121.34838	1.3
123.04443	2.0
123.08050	7.5
123.11677	2.4
124.31367	1.4
125.09620	18.0
127.03938	10.3
129.05507	2.7
129.06996	3.9
130.07758	1.6
131.08577	11.5
133.06514	4.1
133.10104	7.1
135.08069	5.4
135.11690	5.6
137.05939	1.6
137.09612	2.9
139.11160	1.7
143.08524	4.4
145.04955	3.5
145.10110	8.7
147.08017	7.9
147.11714	4.2
149.05879	1.7
149.09608	1.6
149.13220	2.0
153.09067	1.8
157.10158	6.1
159.08073	1.7
159.11708	5.6
161.09636	3.9
162.78098	1.4
163.11192	6.6
165.09067	2.6
167.14151	1.5
169.10179	1.4
171.10306	1.8
171.11705	2.2
173.04483	2.5
173.11636	2.2
175.11165	3.8
183.06535	3.5
189.11180	13.9
189.12456	1.3
191.10666	1.6
193.12215	6.0
205.12218	2.6
211.13356	7.2
223.13268	16.0
227.12717	6.7
249.14838	5.6
255.17403	1.8
263.20236	1.8
267.15781	2.8
273.18448	20.8
283.15503	2.2
291.19519	100.0
301.13931	1.6
347.22031	7.5
355.01816	2.0
365.23178	38.6
366.23090	1.8
393.23074	1.8
407.24179	2.1
473.25034	1.7
509.27353	5.4
527.28040	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	527.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
54.81618	0.2
55.01851	1.0
55.05503	2.1
57.03434	0.4
57.07049	0.5
67.05499	1.0
69.03423	2.2
69.07066	4.6
69.55936	1.5
71.04976	0.9
71.07252	0.2
79.01852	2.4
79.05480	0.5
81.03407	5.2
81.07054	2.8
83.04964	1.4
83.08624	0.6
85.02901	2.3
85.06533	1.6
91.05472	0.6
93.07051	1.4
93.46749	0.2
95.04980	0.2
95.07369	0.2
95.08598	3.7
96.08134	0.4
97.02893	2.9
97.06513	0.9
97.10174	1.1
98.21526	0.3
99.04440	0.7
99.08086	3.0
105.07017	0.5
107.01312	1.1
107.04944	0.3
107.08591	2.0
109.02873	3.2
109.06496	0.2
109.10151	1.6
110.09674	0.5
111.08075	0.4
111.11732	1.0
113.09652	0.5
119.08580	0.3
120.08137	0.5
121.06551	0.2
121.10134	1.6
123.04433	0.7
123.11681	0.7
125.02329	3.2
125.09608	1.2
127.03909	4.3
127.11244	0.2
133.10106	0.3
135.11728	0.9
137.13214	1.6
138.09116	0.6
139.03876	0.4
139.09476	0.2
139.11166	0.7
143.03384	5.5
145.04953	0.8
145.10207	0.3
147.11772	0.2
149.06039	0.2
151.14734	0.5
153.01816	100.0
153.12744	1.3
154.02165	0.7
155.02243	0.3
163.03929	0.2
166.08630	0.8
167.07054	0.2
167.09038	0.5
171.02878	7.9
177.16362	4.7
195.17427	5.0
213.18478	4.5
279.04953	0.4
297.06033	6.5
303.19534	0.3
315.07074	9.9
361.13910	0.4
362.14139	1.0
447.08405	0.2
495.19025	0.4
509.20630	0.3
527.24609	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1596
Annotation	(-)-Indocarbazostatin B
Peak:m/z	Relative Intensity
55.01867	1.3
57.03425	1.5
61.02916	1.5
69.03420	5.2
69.37234	3.9
69.37657	1.3
70.03749	0.9
71.04991	0.6
72.38889	0.5
73.02921	1.5
81.03400	0.9
81.15759	0.6
85.02897	12.5
86.03217	1.1
97.02892	3.4
98.03250	0.7
99.04438	1.2
119.01939	0.8
127.03912	6.6
128.04286	1.0
143.01842	1.1
143.03694	0.5
145.01715	0.7
145.04929	4.9
155.01851	0.9
161.02975	1.3
163.02745	2.5
173.02971	1.9
174.03062	0.9
175.02759	1.7
175.04494	0.6
184.04984	2.7
184.55167	1.0
185.02782	1.2
185.04213	8.6
187.02763	1.8
191.03960	0.7
192.05539	0.7
193.05453	2.4
193.55725	1.5
197.03014	0.8
203.05299	14.5
204.04192	0.6
205.03850	1.3
215.03983	0.8
217.03873	0.7
218.93846	0.6
245.05064	3.4
246.05348	1.7
247.04735	3.8
248.05188	1.1
264.57870	1.6
265.07639	2.3
265.57864	2.3
273.08231	1.0
273.58310	2.2
274.08191	5.7
274.58325	6.3
275.08472	1.3
293.07159	0.6
305.08310	1.0
307.06894	0.8
321.10269	1.2
347.09491	9.4
355.61057	1.5
365.10532	54.2
366.10043	0.8
367.09326	0.8
426.11487	0.6
427.11258	1.8
428.11627	0.8
429.34064	0.5
527.15826	100.0
528.15997	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.7
57.03411	1.0
60.33694	0.7
67.05502	2.1
69.03422	1.9
69.07059	2.4
70.16449	4.0
71.04982	0.9
76.86713	0.9
79.05489	1.3
81.03401	1.7
81.07025	1.8
83.04961	5.2
83.08587	0.9
85.02898	5.7
91.03968	0.7
91.05473	1.6
93.07047	2.6
95.08589	2.3
97.02869	1.5
98.17533	0.8
98.20788	0.9
98.59210	0.7
105.07021	1.1
107.08588	1.6
109.10134	1.0
119.08581	1.4
121.06511	1.8
127.03904	1.8
129.07045	1.2
131.08598	1.1
131.36049	0.7
143.08540	1.1
145.06488	2.8
145.10030	1.1
147.08049	4.0
156.09326	1.4
157.10136	2.4
158.07211	2.0
159.08058	4.2
163.07602	1.0
170.07281	4.7
171.08043	33.0
171.11693	2.5
172.08775	1.5
173.09641	5.3
180.08679	1.6
181.09984	1.0
184.08830	7.5
185.09604	43.8
187.11157	13.2
189.09106	8.9
191.06938	0.9
196.08821	1.8
197.09607	7.9
198.10480	2.2
199.11169	72.6
200.11934	7.4
201.12782	4.4
203.10687	0.9
211.11165	55.0
212.11748	1.1
213.09146	6.5
213.12668	5.2
218.34924	0.8
225.80388	0.9
227.10638	2.1
231.10150	100.0
232.10439	1.1
239.10652	3.3
241.12280	2.2
241.15852	14.0
245.11720	3.6
251.14339	1.5
257.11710	37.6
259.13361	4.7
269.15375	8.3
283.16940	1.9
287.16394	17.0
293.15363	1.7
301.17987	27.2
301.21289	1.1
311.16415	10.2
329.17459	90.9
330.17712	1.7
347.18542	5.3
355.12827	1.1
526.13770	1.2
526.30774	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	525.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
53.40847	1.7
55.05505	18.7
55.22689	1.8
56.96554	2.2
57.03422	3.3
57.07066	7.3
61.02912	3.7
61.84108	2.3
65.03934	2.6
67.05503	32.8
69.03440	11.2
69.03757	2.1
69.07069	33.1
70.06591	100.0
71.00868	3.9
71.04987	5.3
71.06937	11.3
71.08625	3.7
72.08170	2.4
73.02898	2.5
79.05496	19.1
81.03418	6.0
81.07056	99.9
83.04974	6.9
83.08618	21.5
85.02896	21.1
85.06545	10.2
86.09711	21.6
87.04450	2.0
89.06013	2.1
91.03975	2.1
91.05472	8.2
93.07040	22.2
95.04972	3.5
95.08605	82.8
96.08119	3.6
97.02875	7.6
97.06538	4.6
97.10175	13.1
98.06041	3.8
98.97561	4.6
99.08096	5.6
100.08302	2.0
101.02396	2.0
101.06033	4.8
105.07043	7.7
105.96095	2.0
107.04959	2.8
107.08605	29.7
109.02880	2.1
109.06541	2.9
109.09458	3.6
109.10161	54.5
110.07164	27.1
111.11706	8.2
115.07549	4.8
116.98607	3.8
118.06599	4.2
119.08566	5.6
120.08150	4.0
121.06437	2.2
121.10148	13.3
123.04410	6.6
123.08029	2.5
123.11712	36.5
125.09625	2.8
125.13278	3.7
127.03886	8.0
127.11201	2.4
128.98622	3.9
133.10127	6.3
135.11707	21.4
136.05118	5.5
136.07605	3.2
137.02364	3.2
137.05988	2.5
137.09651	3.0
137.13239	14.5
138.09123	3.1
139.03896	4.2
139.11186	2.7
143.10631	3.6
146.05992	10.5
146.99675	5.0
147.04387	2.9
147.06418	3.6
147.11681	4.4
149.13260	16.4
151.03856	2.4
151.14804	16.6
153.01811	31.6
159.13777	3.7
161.13297	4.1
163.14861	14.2
164.38571	1.9
165.16379	4.0
166.08627	4.0
167.07010	5.0
171.02911	2.5
173.15379	2.9
175.14824	2.2
177.05573	2.9
177.16385	9.4
179.18167	2.0
182.15428	2.4
183.14951	5.5
187.13301	2.6
191.14238	2.8
191.17970	6.4
193.15878	3.5
199.16942	2.1
203.17892	5.0
205.19389	2.9
211.14488	3.5
211.16772	2.5
215.20033	3.4
217.19522	3.7
219.01720	3.6
219.21056	2.4
227.07187	2.1
237.02794	8.7
259.14429	2.6
261.25806	8.7
273.25723	8.2
279.26825	3.2
291.26932	9.7
297.06461	2.1
297.27899	22.7
301.12064	2.3
304.49481	1.8
309.27905	34.7
313.03561	5.1
313.11722	3.0
314.03787	8.8
315.04315	2.9
315.07425	4.4
315.28876	2.6
316.01672	3.1
319.13947	3.1
320.14148	2.8
327.28891	21.0
330.03751	3.9
331.04001	5.9
345.06097	25.5
345.29959	8.5
346.06418	43.0
361.13943	7.2
372.24435	2.3
422.01657	3.3
454.06387	5.0
467.72455	2.5
468.22876	24.0
468.73181	10.4
524.77026	2.9
525.22302	3.7
525.30341	5.8
526.22180	3.1
545.05945	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	525.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.4
55.01875	14.8
55.05504	28.1
55.30877	2.6
57.03426	7.7
57.07060	5.4
59.04996	14.0
61.00053	2.2
61.02914	2.3
62.58780	2.7
65.03930	2.8
67.05502	50.6
68.88576	2.5
69.03425	8.2
69.07069	20.6
70.06586	20.3
71.04989	23.8
71.60682	3.3
79.05487	44.8
81.03413	33.9
81.07053	56.6
83.04979	15.7
83.08616	16.5
85.02917	7.2
85.06516	12.4
86.09703	5.9
87.04485	4.1
91.05480	46.0
91.06013	4.4
93.07040	51.4
95.04954	23.4
95.06440	2.4
95.08598	36.9
97.02929	4.0
97.06529	12.9
97.10178	14.7
99.04502	2.8
99.08067	3.2
103.03948	3.4
105.07027	28.6
107.04943	15.3
107.08585	30.0
109.06532	7.5
109.10129	16.1
110.07204	6.1
111.04460	7.9
111.08095	10.2
117.07040	9.8
119.04916	2.4
119.08590	25.8
121.06516	7.6
121.10139	35.0
123.04460	7.6
123.08087	6.7
123.11742	5.1
125.06004	2.9
125.09615	12.9
128.06197	2.9
129.07022	10.1
131.08568	23.4
133.06508	4.9
133.10098	16.0
135.04439	5.1
135.08089	6.9
135.11667	12.2
137.06003	5.4
137.09659	4.9
139.03932	4.6
139.11252	3.3
143.08614	6.3
145.06488	5.1
145.10117	12.2
147.04436	3.0
147.08052	6.3
147.11685	19.6
149.09619	20.6
149.13324	3.2
151.11220	2.9
153.09116	4.3
153.12712	5.8
157.10155	15.4
159.11707	4.8
161.05966	2.9
161.09552	3.5
163.07544	6.6
163.11203	16.4
164.07964	3.4
165.12804	3.6
167.10696	4.0
171.06563	2.4
173.09651	6.5
173.13280	3.3
175.11205	13.7
175.14874	3.5
177.12752	3.1
181.12286	7.7
187.11214	4.5
189.11276	8.1
189.12834	3.4
191.10744	6.7
193.12218	26.2
199.13202	2.7
205.12224	3.6
209.11824	6.9
211.13249	41.6
223.13321	3.3
225.14967	7.8
227.12691	16.0
235.13417	3.3
241.14415	2.9
249.14995	8.4
253.14496	3.0
259.15536	6.3
267.16025	9.9
283.15527	7.3
289.21469	2.4
337.21768	2.6
355.22714	3.9
363.21591	3.1
365.21173	3.9
383.22336	9.9
401.23376	9.2
421.25888	3.0
433.26151	7.0
447.27673	6.1
452.07187	2.4
457.26355	3.1
468.23392	2.6
475.27048	14.0
476.03561	2.5
489.28519	3.9
493.28180	9.0
507.29456	37.1
507.35959	3.8
525.30676	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2326
Annotation	Mascaroside
Peak:m/z	Relative Intensity
50.01604	0.3
50.40156	0.2
51.06865	0.2
51.69995	0.2
53.03943	0.9
55.01871	0.3
55.05500	2.7
57.03413	0.5
57.07058	0.9
59.04987	0.8
67.05497	7.2
69.03423	5.3
69.07063	5.5
70.64716	0.6
70.65073	0.5
71.05000	1.7
71.08626	0.3
71.80528	0.2
79.01846	2.4
79.05480	1.7
81.03409	6.5
81.07049	7.8
83.04974	4.2
83.08611	2.5
85.02897	3.3
85.06535	2.1
85.57693	0.2
87.08103	0.5
89.50623	0.3
91.05459	1.2
93.07038	4.1
95.04977	0.6
95.08598	13.9
97.02889	4.7
97.06503	0.5
97.10159	0.8
99.04436	0.5
99.08081	1.7
105.07022	2.8
107.01337	1.8
107.07853	0.5
107.08587	9.4
109.02874	5.4
109.06493	3.8
109.10146	45.5
110.10501	0.4
111.08086	1.6
113.09656	0.8
117.07024	0.2
119.08572	18.6
121.10136	5.7
123.08059	6.3
123.11692	3.5
125.02333	3.7
125.09592	0.6
127.03909	7.4
127.11183	0.4
133.09094	0.4
133.10118	10.0
135.11679	49.4
136.12070	0.3
137.09605	6.1
138.10423	0.4
139.11179	0.9
143.03392	5.7
145.04929	1.5
145.92717	0.2
146.53464	0.2
147.11667	0.6
149.13243	3.4
151.11168	3.9
151.14809	4.5
153.01814	100.0
153.12717	0.9
154.02144	0.5
165.12721	0.6
165.16412	1.3
171.02878	12.9
175.12576	0.3
175.14810	21.6
193.15866	35.6
211.16914	34.8
212.17326	0.3
246.39102	0.3
279.04761	0.6
297.06009	7.4
315.07037	11.1
320.20975	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.05507	3.9
57.03427	0.7
57.07069	1.5
59.04986	1.1
62.37740	0.5
67.05505	7.1
69.03428	5.6
69.07063	6.0
70.06592	5.2
70.92786	0.5
70.93117	1.3
71.04981	1.5
77.17683	0.6
79.01844	2.3
79.05486	1.9
81.03414	5.1
81.07046	9.0
83.04976	4.5
83.08595	2.7
85.02892	3.1
85.06536	1.3
86.09682	1.2
91.05453	1.4
93.07043	4.8
95.04950	0.5
95.08601	15.4
97.02891	6.2
97.06511	0.8
97.10148	0.8
99.04459	0.7
99.08085	1.7
105.07047	3.0
107.01321	1.8
107.08594	9.6
109.02882	5.5
109.06512	4.9
109.10147	48.6
110.07151	1.9
111.08101	1.1
113.09630	1.1
117.35178	0.5
119.07788	1.0
119.08578	13.5
121.10133	4.9
123.08050	6.1
123.11716	4.4
125.02332	3.4
127.03925	6.1
130.39644	0.5
133.10129	8.7
135.11682	41.6
137.09613	7.2
139.11174	1.3
143.03394	4.9
145.04924	1.4
146.06007	0.5
147.11736	0.7
149.13258	3.0
151.11162	4.4
151.14803	5.0
153.01817	100.0
153.12724	1.0
165.16339	2.4
171.02879	11.7
175.13280	0.9
175.14809	17.7
193.15865	26.1
209.64294	0.5
211.16919	56.9
279.04959	0.7
297.06033	7.1
315.07086	11.1
346.90314	0.6
393.54739	0.6
468.22739	1.8
531.97845	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73753	2.1
53.85984	2.3
55.01862	2.9
55.05505	9.3
57.07051	4.1
59.05002	2.8
63.55372	2.4
64.59717	2.6
67.05499	15.6
69.03407	6.1
69.07063	15.8
70.06589	100.0
71.04979	3.6
71.59811	5.4
73.02899	2.9
79.05489	5.4
81.03377	5.1
81.07053	34.5
82.07391	4.5
83.08610	9.2
85.02904	9.7
85.06530	4.6
86.09698	18.3
91.05467	6.9
93.07043	13.6
95.04978	4.7
95.08592	42.5
96.08911	4.0
97.02895	6.2
97.06535	3.8
97.10165	6.5
99.08098	3.6
105.07024	11.6
107.04894	3.6
107.08577	14.2
109.10140	20.5
110.07174	26.9
110.10480	3.9
111.08088	3.8
111.11698	4.7
118.06539	4.1
119.08582	11.5
120.08092	3.5
121.10137	11.5
123.04411	7.8
123.08060	2.4
123.11699	11.0
124.12092	3.0
127.03944	3.0
133.06491	3.3
133.10110	9.0
135.11708	8.9
136.05037	2.9
136.07549	6.0
137.13281	4.9
139.03864	5.4
143.08484	3.0
145.04909	3.1
145.10095	4.9
146.05995	14.7
147.04427	4.5
147.11671	5.4
149.13274	9.2
151.03860	3.7
151.14830	5.9
153.01797	9.0
157.10081	3.6
163.14784	6.6
164.04353	2.9
167.06975	3.6
172.11252	3.3
173.13295	3.1
177.16544	2.9
182.02943	2.9
183.14984	4.0
188.14233	2.5
195.11710	6.1
197.06030	6.0
199.14796	2.6
213.18553	2.9
215.14232	2.5
255.21075	5.9
273.25818	2.6
277.02872	2.5
291.26929	12.5
307.26370	3.8
308.26593	5.2
309.27859	7.0
319.13980	3.4
326.27844	4.7
327.28882	3.0
344.25928	3.6
467.72726	25.6
468.22818	7.4
493.05554	2.7
515.91315	2.7
524.28711	59.7
525.30719	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	524.3708
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05500	0.6
56.05034	1.3
57.03425	0.6
57.07075	2.8
58.06565	1.4
59.07385	0.3
59.97664	0.2
60.08158	17.1
67.05486	0.9
69.07051	0.8
69.38533	0.8
69.38957	1.3
71.07371	5.7
71.08626	2.1
79.05468	0.2
81.07055	1.0
83.08604	0.7
85.10192	1.2
86.09696	49.2
87.09961	0.2
95.08591	0.9
97.10160	0.4
98.20607	0.2
98.98460	4.0
104.10733	100.0
105.11076	0.4
107.08600	0.3
109.10124	0.5
119.92960	0.2
124.99992	26.5
143.01028	0.6
163.01517	0.7
166.02707	0.2
184.07321	94.8
185.07607	0.4
193.12263	0.3
202.81194	0.2
204.98193	0.2
212.13777	0.2
258.11032	1.0
341.30466	1.5
447.28708	0.3
506.36002	9.3
524.37048	42.2
525.36932	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01865	1.6
55.05507	7.9
57.03419	3.4
57.07072	29.5
60.70569	0.8
61.10906	0.8
67.05498	19.0
69.03413	1.3
69.07063	7.8
71.04984	3.7
71.08627	19.8
71.33458	1.8
79.05475	8.1
81.03411	28.9
81.07052	20.4
83.04986	5.6
83.08606	17.6
85.02897	13.5
85.06535	1.5
85.10175	11.6
91.05470	13.2
93.07034	7.5
95.04959	11.8
95.08597	19.1
97.01009	0.7
97.02868	1.4
97.06499	1.5
97.10153	5.7
105.07014	9.4
107.04949	2.6
107.08583	2.8
109.06544	1.8
109.10146	9.1
111.04460	1.2
111.08054	5.2
111.11703	1.2
113.05984	1.3
115.05463	0.8
119.08562	8.1
121.10124	4.6
123.08100	1.3
123.11681	3.6
125.09590	0.9
129.06969	4.7
131.08572	4.8
133.06487	0.8
133.10103	4.4
137.13255	0.9
142.07758	1.2
147.08026	1.3
147.11687	6.9
149.09624	2.6
157.10115	5.5
175.11179	7.3
193.12221	23.5
211.13263	29.1
231.11473	0.8
239.23596	3.6
249.14877	1.0
267.15909	5.5
273.05121	0.8
313.27225	6.0
313.49759	0.7
319.01254	0.7
362.59927	0.7
368.15778	0.7
505.38831	3.4
523.39911	100.0
524.40283	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	523.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71347	0.5
53.03938	1.4
55.01865	0.9
55.05512	9.9
57.03435	5.8
57.07074	28.1
57.76575	0.6
65.03944	0.8
67.05502	18.8
69.03413	2.1
69.07062	8.4
71.04996	3.3
71.08628	20.1
79.05489	10.6
81.03414	28.8
81.07053	23.1
81.17687	0.7
83.04978	5.2
83.08136	1.2
83.08616	18.1
85.02901	15.6
85.06538	1.6
85.10179	9.6
91.05486	14.0
93.07042	6.4
95.04969	10.3
95.08601	19.2
97.02904	1.1
97.06512	1.8
97.10169	5.5
99.08178	0.6
105.07032	8.5
107.04958	2.3
107.08592	4.0
109.06531	1.7
109.10148	8.7
111.04412	0.8
111.08077	4.9
111.11712	0.9
113.05988	1.2
115.05455	1.0
117.06997	0.7
119.08583	8.9
121.10109	4.3
123.08045	1.4
123.11689	3.4
125.09665	0.9
129.06981	5.2
131.08551	4.9
133.06493	1.2
133.10139	4.3
137.09674	0.6
137.13290	1.4
142.07777	1.7
145.10089	0.9
145.56386	0.6
147.11685	6.7
149.09636	2.8
157.10126	5.5
165.12721	1.2
165.16374	0.7
175.11163	5.9
193.10405	0.8
193.10745	0.4
193.12228	27.4
211.13281	30.4
239.23657	4.7
249.14973	0.7
267.15839	7.3
313.27380	7.6
384.71390	0.6
505.38916	5.4
523.39935	100.0
524.40131	2.2
549.06482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.4
53.03936	1.5
55.01864	1.3
55.05507	12.2
57.03436	5.5
57.07072	32.8
59.04981	0.4
62.11953	0.3
65.03604	0.3
65.03943	1.0
65.27062	0.3
67.05500	20.7
67.40694	0.3
69.03419	1.4
69.07066	8.3
69.92997	2.2
71.04992	2.7
71.08627	21.9
79.05486	12.2
81.03412	31.8
81.07053	25.8
83.04977	6.0
83.08614	19.5
85.02898	15.8
85.06538	1.4
85.10177	11.0
91.05472	14.5
93.07037	8.5
94.80743	0.3
95.04964	13.3
95.08601	21.5
96.08930	0.4
97.02903	1.8
97.06538	1.9
97.10167	5.8
99.08096	1.0
99.11725	0.8
105.07030	11.0
107.04955	2.3
107.08585	3.6
109.06519	2.5
109.10147	9.7
111.04428	1.0
111.08073	5.3
111.11693	1.0
113.06001	1.3
115.05445	0.7
117.07061	0.5
119.08573	9.2
121.06493	0.7
121.10133	4.5
123.08104	1.0
123.11701	3.7
125.09626	0.8
125.13307	0.7
129.06989	5.5
131.08537	4.7
131.09375	0.4
133.06480	1.3
133.10112	4.0
137.09665	0.9
137.13257	1.6
142.07777	1.0
145.10086	0.5
147.07091	0.4
147.08017	2.0
147.11673	6.2
149.09625	3.1
149.65491	0.3
151.14862	0.6
157.10117	6.6
163.11264	0.5
165.12740	1.8
175.11172	7.6
175.12680	0.5
178.55054	0.3
184.07338	0.5
193.12231	30.8
194.12558	0.5
211.13277	38.4
221.22733	0.5
239.23668	5.0
249.14937	1.1
258.08990	0.4
267.15887	6.6
267.18597	0.6
281.45410	0.3
285.16803	0.5
313.27319	5.6
326.15854	0.4
476.24216	0.4
505.38760	3.5
510.11707	0.4
523.39935	100.0
524.40430	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	20.5
57.07057	8.9
66.35201	2.6
67.05500	25.6
69.03410	4.3
69.07066	33.4
70.06591	4.1
70.15419	12.3
71.08620	2.4
75.74420	2.3
79.05474	7.3
81.07056	88.1
83.08624	16.7
85.02895	4.8
85.42850	2.4
91.05469	4.5
93.07034	12.0
95.04960	3.3
95.08601	100.0
97.06541	3.5
97.10175	23.3
99.08072	6.2
105.07012	8.2
107.08594	20.3
109.06516	4.1
109.10155	58.0
111.08086	4.3
111.11722	13.4
114.45790	2.5
119.08560	8.3
121.10128	17.0
123.11689	34.4
125.09660	5.6
125.13255	5.6
133.10123	6.9
135.11688	15.3
137.09631	3.2
137.13278	16.6
139.11176	7.8
143.10751	2.9
145.10110	4.1
147.11668	7.6
149.13228	10.7
151.11180	3.2
151.14804	27.7
153.01752	4.6
157.12245	6.9
159.11736	3.8
161.13255	11.8
163.11140	3.7
163.14806	7.4
165.12720	6.0
165.16415	6.0
169.12202	3.9
175.14821	7.3
177.16353	6.9
179.14287	9.3
183.13902	3.4
185.45473	2.5
187.13295	4.9
189.16382	2.8
191.17928	4.4
193.15851	5.1
195.13875	2.9
197.15367	5.9
197.86133	2.4
201.16351	2.6
203.17882	2.7
207.17429	3.4
209.15358	5.2
211.16930	3.1
213.18422	2.2
215.17937	5.2
219.17503	3.3
223.16872	4.0
225.18439	2.6
233.19014	4.9
237.18504	9.6
239.19897	3.5
251.20065	6.4
254.19965	2.1
259.24295	3.2
271.24173	10.9
277.25186	11.7
279.26895	3.1
289.25262	22.1
295.26309	7.6
307.26288	75.6
313.27423	8.4
318.29440	2.5
325.27365	18.9
334.20877	2.8
343.22427	10.8
343.28516	5.3
361.07352	2.6
523.28790	62.1
524.29126	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	523.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
55.01869	1.9
55.05506	13.0
57.03435	17.4
57.07075	48.3
58.39669	1.7
60.08150	2.0
67.05505	23.1
69.03424	2.6
69.07059	11.2
70.85905	3.3
70.86240	3.4
71.04999	2.2
71.08634	29.0
79.05492	14.6
81.03416	94.1
81.07050	32.3
83.04981	7.5
83.08618	26.4
85.02900	2.6
85.10180	20.3
86.09702	6.3
91.05476	18.2
93.07063	10.4
95.04963	21.8
95.08593	29.4
97.02869	2.3
97.06538	1.9
97.10182	6.5
104.10739	10.5
105.07026	12.3
107.04952	5.3
107.08599	4.8
109.06519	4.2
109.10150	12.3
111.08097	7.0
117.07030	1.6
119.08560	12.3
121.10127	6.1
123.08034	2.4
123.11716	4.6
124.99982	4.3
129.06996	8.2
131.08545	9.5
133.06493	3.4
133.10155	4.9
137.13213	1.7
142.07790	2.6
147.08017	4.2
147.11682	7.9
149.09595	6.3
157.10141	8.9
165.12808	2.4
175.11194	10.1
179.17799	2.0
184.07341	12.8
193.12231	46.1
211.11604	1.7
211.13206	9.3
239.23706	5.9
249.14845	4.7
267.15894	100.0
268.16254	1.8
306.57245	1.9
313.27347	97.0
414.79776	1.7
432.87152	1.7
486.82684	2.0
505.38904	56.8
523.33582	4.9
523.40247	23.8
524.37146	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	523.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45934	0.3
51.02385	0.8
53.03947	0.8
54.12122	0.4
55.01875	0.5
55.05512	1.4
57.03427	0.8
58.81020	0.3
65.03931	0.5
66.74406	0.3
67.05513	2.4
67.68350	0.3
69.03426	5.7
69.07058	1.9
70.86230	0.7
70.86581	0.4
71.04984	0.8
79.01852	2.3
79.05489	5.9
81.03414	4.7
81.07053	6.1
83.04960	1.7
83.08634	0.6
85.02902	3.3
88.46768	0.3
91.05477	5.0
93.07041	3.4
94.82071	0.3
95.04963	1.3
95.08596	2.6
97.02893	4.9
99.04459	1.0
103.05521	0.4
105.07024	6.6
105.07682	0.7
107.01325	1.3
107.04948	4.3
107.08588	17.0
109.02876	4.7
109.06509	4.2
109.10159	5.1
111.08112	0.3
115.05457	1.5
116.01683	0.3
117.07014	1.6
118.07758	0.4
119.08569	3.2
121.06499	1.9
121.10137	9.3
122.07292	4.4
123.04467	0.6
123.08040	1.2
125.02354	3.0
127.03917	6.8
129.07007	0.4
131.08536	2.2
133.06534	2.1
133.10126	88.6
134.10474	0.8
135.08038	7.6
135.11673	1.7
137.02354	0.6
137.05983	1.1
137.09608	46.0
138.09975	0.4
139.03944	0.4
143.03381	4.7
143.08546	0.7
144.01196	0.3
145.04953	1.3
145.10110	1.2
147.11673	1.7
149.09619	8.0
149.13251	9.0
151.07573	0.7
151.11227	0.4
153.01820	100.0
154.02144	0.8
158.10892	0.7
162.02196	0.6
163.07649	0.4
163.14844	1.7
171.02882	12.8
173.13257	4.9
177.09077	0.4
191.14302	46.6
192.14655	0.4
193.04962	0.9
209.15346	7.3
221.04408	2.1
224.06577	0.3
279.04807	0.4
286.87341	0.4
297.06027	6.7
315.07077	14.4
331.15210	0.8
335.68222	0.4
353.19534	0.4
358.16418	0.3
376.67023	0.4
523.17468	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	523.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.2
57.03421	0.4
57.07067	0.7
67.05503	1.8
69.03427	0.8
69.07057	2.0
70.06590	0.6
71.04979	0.4
71.59333	0.6
79.05482	0.9
81.03410	0.7
81.07055	5.2
83.08610	1.3
85.02906	0.7
85.06532	0.5
91.05481	0.7
93.07038	1.5
95.04932	0.6
95.08606	6.8
97.02937	0.6
97.06548	0.5
97.10155	1.2
105.07048	1.0
107.08585	1.6
109.02831	0.5
109.06564	0.6
109.10146	3.3
111.08112	0.4
111.11694	0.7
113.25874	0.4
119.08578	1.0
121.06504	0.4
121.10131	1.3
123.04412	1.2
123.11703	1.7
133.10126	1.1
135.11658	0.7
139.03900	0.8
145.10214	0.6
147.04443	0.8
149.13304	0.5
151.03893	1.1
151.14854	1.3
153.01808	0.7
155.54765	0.4
161.13266	0.4
163.14905	0.4
167.06996	0.8
173.13239	0.6
175.14771	0.4
177.05423	0.5
179.14250	0.6
182.09305	0.5
193.08589	0.4
193.16011	0.4
210.08871	0.6
219.10191	0.5
261.12500	1.2
270.12997	2.1
270.63043	0.4
271.24258	0.5
277.15100	0.4
289.25336	0.9
305.24976	0.4
307.26245	3.9
315.08585	0.4
325.27353	0.6
340.10251	0.4
343.28503	0.5
361.23538	4.3
387.42374	0.4
443.75696	0.4
471.59198	0.4
491.05667	0.6
523.28760	100.0
524.29260	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	523.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72552	1.4
53.03940	1.8
55.01860	2.2
55.05504	15.2
55.81381	1.6
57.03427	1.3
57.07066	3.6
61.14456	1.4
66.63487	1.6
67.05503	22.3
69.03423	4.2
69.07066	29.7
69.37372	14.7
70.06595	14.4
71.05022	3.3
71.08622	2.0
72.17024	1.4
77.85866	1.5
79.01867	1.7
79.05485	9.1
81.03416	2.1
81.07055	79.9
83.04984	3.4
83.08620	20.0
85.02906	5.6
85.06528	3.3
86.09721	2.1
91.05489	4.8
93.07047	15.1
95.04974	3.5
95.08602	100.0
97.02901	2.2
97.06528	5.9
97.10171	14.9
98.21516	3.5
99.08083	7.0
100.11263	3.9
105.07034	12.7
107.04928	1.9
107.08589	19.8
109.02845	2.7
109.06535	3.0
109.10154	46.7
110.07181	3.2
111.04424	2.1
111.08083	5.3
111.11722	11.6
115.07594	1.8
117.07027	2.2
119.04945	1.4
119.08572	8.5
121.10146	17.9
123.04429	26.8
123.08076	3.0
123.11706	26.6
124.12070	1.4
125.09623	3.9
125.13257	3.9
127.03945	3.5
131.08546	2.7
133.06473	2.2
133.10117	7.6
134.68588	1.3
135.08038	2.0
135.11670	9.1
136.05083	1.5
137.06013	3.2
137.09581	1.6
137.13252	8.7
139.03896	15.9
139.11197	5.6
141.09084	1.8
141.32651	1.4
143.03409	2.0
143.10681	3.5
145.10150	5.0
146.06032	2.4
147.04411	4.5
147.11716	3.5
149.09654	1.8
149.13266	8.0
151.03926	4.9
151.11221	3.2
151.14815	26.0
153.01825	15.4
153.12743	3.3
157.12239	6.4
159.11716	3.8
161.09828	1.9
161.13277	7.4
163.03847	2.4
163.11172	3.2
163.14835	8.3
165.05585	1.9
165.09120	2.4
165.12755	2.9
165.16385	5.3
167.14336	1.7
168.13867	1.6
169.12196	2.5
173.13248	3.7
175.14827	3.3
177.16423	3.6
179.14302	7.1
182.15427	3.2
183.13815	2.4
187.13408	3.8
189.16451	2.1
191.14352	5.5
191.17896	2.9
193.08614	5.2
193.15919	3.8
197.15421	5.8
207.17406	4.4
211.16969	3.3
213.18719	1.6
215.18015	1.8
219.10182	1.6
223.16978	1.7
225.18457	1.7
233.18990	3.1
237.18568	4.6
251.20120	6.1
256.68887	1.4
271.24146	6.2
273.07684	3.7
277.25189	2.3
289.25259	17.2
295.26425	4.3
303.08713	2.3
307.26312	50.2
325.27249	10.1
337.21225	1.5
343.22440	1.9
343.28436	2.7
361.23633	1.8
415.28461	2.3
465.24191	2.7
467.72797	2.6
492.65826	1.5
505.28711	2.2
522.89105	4.6
523.28809	93.2
524.29279	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	523.2175
Annotation	Macarangioside E
Peak:m/z	Relative Intensity
51.02366	0.9
53.03941	1.5
55.01870	1.2
55.05508	3.9
57.03440	1.0
57.07061	1.5
61.02902	0.6
67.05498	3.8
69.03428	7.9
69.07059	7.2
69.80878	4.2
70.06592	5.3
71.05000	3.4
71.08612	0.7
73.74387	0.6
79.01843	2.9
79.05491	3.9
81.03410	5.9
81.07052	12.1
82.34855	0.6
83.04979	5.5
83.08189	0.6
83.08614	3.6
85.02904	5.5
85.06522	1.9
91.05457	3.7
93.07034	7.7
93.39252	0.6
95.04966	3.7
95.08598	15.6
97.02887	6.9
97.06516	2.7
97.10189	0.8
99.04441	1.3
99.08080	3.0
105.07021	4.9
107.01321	1.7
107.04952	2.1
107.08585	20.4
109.02860	4.9
109.06504	4.0
109.09462	0.9
109.10156	13.3
111.08070	1.4
119.08578	4.4
121.06465	3.2
121.10137	19.3
123.04419	2.9
123.08032	3.6
123.11676	3.9
125.02343	3.1
125.09624	6.6
127.03912	8.3
131.04967	0.8
131.08548	3.7
133.10121	6.6
134.10530	0.7
135.08051	8.4
135.11697	3.8
137.05974	2.8
137.09598	3.7
137.13193	1.0
139.03876	1.3
139.11176	3.0
143.03426	5.7
145.04921	2.1
145.06502	0.7
145.10117	2.8
147.04417	1.1
147.11682	8.3
149.09613	6.1
149.13254	9.6
151.03938	1.5
151.11176	39.1
153.01819	100.0
153.09085	0.9
154.02190	0.9
155.10551	0.8
158.10918	1.1
159.11729	0.8
161.05962	0.8
161.09561	0.8
161.13333	1.4
163.03918	0.7
163.11119	1.0
163.14798	6.8
165.12756	4.5
167.07109	1.0
171.02884	11.4
173.13249	9.9
175.14832	1.0
177.05496	1.3
180.09906	0.6
189.05400	0.7
191.14297	51.0
209.15352	47.0
210.15831	1.0
224.07585	0.8
224.09615	0.8
229.05081	0.8
289.25281	2.1
297.05920	6.7
307.26392	3.1
313.03372	1.2
314.04132	0.8
315.01422	1.0
315.07031	10.9
325.27234	2.0
330.03662	1.9
343.11774	0.8
343.30551	1.1
345.06030	9.3
347.05908	0.7
371.10190	2.2
466.11588	0.8
523.15735	5.4
523.28705	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	523.2173
Annotation	Macarangioside E
Peak:m/z	Relative Intensity
53.03938	1.5
55.05500	1.8
67.05490	1.8
69.03426	6.1
69.07061	2.5
70.92719	2.0
70.93050	1.0
71.05028	1.0
79.01847	2.0
79.05480	4.7
81.03416	6.4
81.07066	6.0
83.04958	1.3
85.02882	2.8
91.05463	3.4
93.07030	3.0
95.04945	1.3
95.08607	2.0
97.02866	3.2
97.06545	1.0
99.04440	1.1
105.07037	8.2
107.01285	1.4
107.04952	3.8
107.08589	17.7
109.02883	5.1
109.06496	2.5
109.10137	4.6
115.05448	1.1
117.06967	1.2
119.08576	3.4
121.06499	1.9
121.10138	9.8
122.07283	5.4
123.08003	1.0
125.02341	3.6
127.03929	7.8
131.08572	2.0
133.10127	94.8
135.08044	9.2
135.11705	1.1
137.09610	50.3
143.03392	4.6
143.08549	0.9
145.04968	1.0
147.11710	1.4
149.09619	1.4
149.13255	9.5
153.01828	100.0
158.10921	1.1
163.14746	1.0
171.02887	12.4
173.13293	4.5
175.32413	0.9
191.14299	58.8
192.14644	0.9
209.15364	6.1
279.04910	1.3
297.06079	6.4
315.07089	14.9
412.82495	1.0
462.47128	1.0
500.38263	0.9
542.60266	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
54.46278	0.4
55.05509	0.9
57.07073	0.7
60.10942	0.4
67.05505	1.5
69.03425	5.1
69.07072	1.3
70.06593	1.0
70.25934	2.0
71.04994	0.6
73.83228	0.4
79.01824	2.0
79.05491	1.0
81.03410	5.8
81.07059	2.3
83.04979	1.4
85.02898	2.4
91.05478	1.4
93.07047	1.5
95.04956	2.5
95.08591	3.0
97.02902	2.8
99.08069	0.8
105.07041	1.8
107.01313	0.9
107.04924	0.4
107.08609	4.3
109.02890	2.8
109.06514	3.4
109.10162	1.3
111.08095	0.4
112.82436	0.5
119.08570	1.4
120.08125	0.4
121.06487	0.7
121.10128	7.6
122.07273	1.1
123.04388	0.5
123.08054	3.3
123.11657	2.2
125.02364	3.4
127.03905	3.9
133.10106	1.4
135.08055	1.4
135.11681	0.7
137.08589	0.3
137.09599	8.2
137.13239	1.0
139.09578	0.4
143.03387	4.1
145.04913	0.5
147.11687	1.2
149.09605	5.2
149.13242	3.8
151.09952	0.8
151.11157	9.6
153.01817	72.5
154.02251	0.5
163.14827	0.6
165.12741	36.9
171.02873	6.4
173.13271	1.4
191.14287	5.7
193.15849	1.2
209.15349	100.0
210.15646	0.5
297.06067	3.5
315.07025	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	523.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
55.01852	0.6
55.05494	1.6
57.03409	0.8
59.04991	0.6
63.05568	0.6
65.03930	0.7
67.05487	2.5
69.03425	6.0
69.07051	2.1
69.53239	1.2
69.53651	4.3
71.04980	1.3
73.64583	0.6
79.01832	2.6
79.05487	4.6
81.03416	6.6
81.07053	6.7
83.04973	2.1
84.08930	0.6
85.02895	3.8
91.05486	5.3
93.07050	3.5
95.04956	1.6
95.08590	3.1
96.59982	0.7
97.02898	4.1
105.07024	6.1
107.01295	1.7
107.04946	3.0
107.08594	14.7
109.02861	3.4
109.06513	4.1
109.10166	6.1
109.76186	0.6
115.05450	0.7
117.07018	0.9
119.08559	2.2
121.06505	1.7
121.10133	8.9
122.07270	3.6
123.08066	1.6
123.11664	0.8
125.02346	3.3
125.09670	1.0
127.03917	7.5
131.08545	2.2
132.08781	0.6
133.10126	72.7
134.10555	0.6
135.08041	7.1
135.11708	1.6
137.05991	5.6
137.09607	46.2
138.09895	0.8
143.03410	5.4
145.04927	1.9
145.10106	0.8
147.11700	1.8
149.09595	2.0
149.13260	7.4
151.11185	6.8
153.01822	100.0
154.02167	1.2
158.10866	1.2
163.14783	1.9
165.12724	3.9
171.02887	12.2
173.13277	4.7
177.09280	0.7
191.14302	51.2
192.14629	1.5
209.15373	16.5
297.06088	5.4
315.07117	17.0
328.14032	0.7
402.44553	0.6
496.98969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3551
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05513	1.8
56.05027	1.6
57.03434	0.7
57.07067	0.7
58.06350	0.4
58.06603	1.4
59.07391	0.5
60.08161	18.8
67.05495	1.5
69.07072	2.5
69.38499	2.1
69.38922	1.1
71.07368	6.3
79.05482	0.8
79.12565	0.3
81.07052	1.3
83.08616	1.3
86.09699	53.7
91.05451	0.4
93.07043	1.1
95.08590	1.3
97.10158	0.8
98.98448	3.6
104.10735	100.0
104.67023	0.4
105.11086	0.8
107.08588	0.4
109.10146	0.5
121.10130	0.9
124.99993	27.9
135.11699	0.5
143.01003	0.6
163.01526	0.5
172.95216	0.5
184.07324	98.2
185.07639	0.7
196.99222	0.4
240.77811	0.3
258.11096	1.2
321.91742	0.3
339.28973	1.5
493.56268	0.3
504.34399	10.1
522.35522	41.1
523.35840	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.05516	8.8
57.07057	4.3
63.23803	1.5
67.05501	13.6
68.16544	1.3
69.07060	20.5
69.64772	1.4
70.45442	5.5
71.04993	1.6
79.05505	8.1
81.03438	1.7
81.07055	73.3
82.07372	1.5
83.04939	1.6
83.08604	10.5
85.02901	3.6
85.06523	1.7
91.05474	3.7
93.07023	8.1
95.04942	2.0
95.08607	75.4
96.92010	1.6
97.06505	2.3
97.10159	9.6
99.08119	1.6
105.07022	6.5
107.08604	10.6
109.10159	37.0
111.08106	2.1
111.11718	6.5
117.07011	1.8
119.08560	6.0
121.10104	8.0
123.04465	1.7
123.11702	22.6
125.09657	2.5
133.10139	3.9
135.11690	3.7
137.09631	2.0
137.13257	7.9
139.11177	5.7
143.10670	1.7
147.04514	2.0
147.11684	4.2
149.09656	2.3
149.13342	3.7
151.11200	2.3
151.14806	18.8
153.12758	1.8
157.12187	4.6
159.11652	2.6
161.13203	3.8
163.14789	3.4
165.16362	2.8
173.13315	2.3
173.64716	1.6
175.14815	3.5
179.14307	3.6
187.13312	1.6
191.14146	1.9
193.15869	2.3
197.15294	2.3
203.12721	2.2
203.17902	1.6
207.17354	2.5
215.17831	2.7
223.16859	2.7
237.18437	5.0
271.24200	2.7
281.19073	1.5
289.25189	8.3
307.26309	100.0
308.26868	1.8
325.27307	22.8
343.28360	3.6
391.87363	1.8
486.36105	3.0
522.27789	1.4
522.37799	6.3
523.26587	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	522.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22723	0.1
55.05508	0.5
56.05030	0.5
57.03428	0.2
57.07069	0.2
58.06620	0.4
59.07400	0.1
60.08158	6.4
67.05498	0.3
69.07078	0.5
70.32493	0.2
70.32887	0.2
71.07367	2.8
71.58054	0.1
79.05486	0.2
81.03392	0.1
81.07043	0.4
83.08612	0.4
86.09697	28.8
93.07037	0.3
95.08581	0.3
97.06502	0.1
97.10175	0.2
98.98453	2.4
104.10735	2.9
105.07009	0.2
107.08578	0.2
109.10149	0.2
121.10131	0.2
123.11707	0.2
124.99991	19.1
136.45551	0.1
143.01036	0.3
166.02663	0.2
172.95265	0.1
184.07323	100.0
185.07617	0.4
187.13220	0.1
232.95973	0.1
237.04784	0.1
258.11087	0.2
339.28799	0.2
504.34457	1.2
522.35394	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	522.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46503	0.4
52.89083	0.4
53.03926	0.7
54.03468	0.8
55.01883	0.4
55.04242	0.4
58.06590	1.1
68.91017	0.4
68.99783	1.4
69.03414	0.4
70.06586	100.0
70.16091	0.7
70.16477	1.0
74.06072	0.4
79.01830	0.6
79.05482	1.1
81.07037	1.0
85.02892	0.7
91.05461	1.2
93.06403	0.4
93.07021	1.0
95.04952	0.7
98.53805	0.4
103.05470	1.5
105.07029	0.9
107.04942	10.4
107.05611	0.7
109.06546	0.4
120.08083	0.4
121.06511	3.6
123.04455	0.4
131.04910	0.8
133.06482	0.9
133.37201	0.3
135.04407	1.9
137.06007	0.4
143.03334	0.7
145.08545	0.5
149.04781	0.5
149.05971	8.7
153.01817	12.3
159.04410	1.0
161.05913	2.6
165.05484	1.0
173.05965	0.6
175.07532	0.9
177.05457	65.4
178.05826	0.4
189.05450	6.1
207.06549	0.5
234.11247	3.9
295.09500	2.2
313.10660	3.0
352.15280	0.4
465.11737	6.8
522.17560	48.3
523.17761	1.2
530.89709	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70197	0.7
52.91807	0.7
53.00292	0.6
53.03936	2.1
53.17110	0.6
55.01870	1.6
55.05509	24.5
56.94398	0.6
57.03436	7.6
57.07077	4.4
59.05002	0.8
65.03930	1.6
67.05505	31.8
69.03420	2.2
69.07068	25.7
69.36621	6.0
71.04995	3.5
71.08611	2.9
73.67214	0.6
79.05493	19.3
81.03418	30.4
81.07056	33.8
83.04980	5.7
83.08139	1.3
83.08619	24.6
85.02901	15.4
85.06546	1.4
91.05474	16.6
93.07045	18.1
95.04966	14.5
95.08607	22.5
96.66402	0.7
97.02920	1.4
97.06533	3.1
97.10172	9.3
99.08106	0.8
105.07026	11.2
107.04958	2.9
107.08587	8.0
109.06513	2.4
109.10146	7.6
111.04433	1.5
111.08082	7.4
111.11716	2.8
113.06019	1.6
117.07005	1.2
119.08575	10.6
121.10144	13.6
123.08073	2.1
123.11703	4.4
125.09650	1.3
127.11303	0.8
129.07027	5.5
131.08568	5.5
133.06444	2.1
133.10143	4.3
135.11699	8.3
137.09589	0.9
137.13229	1.4
139.11128	0.7
142.07822	1.1
145.10100	1.4
147.08044	1.6
147.11682	7.7
149.09663	2.4
149.13268	3.0
157.10123	4.9
163.11179	0.7
163.14842	0.8
165.12805	1.5
175.11198	7.1
193.12244	30.9
211.13286	38.1
213.52145	0.7
219.21056	2.3
237.22141	5.9
267.15839	4.3
311.25742	4.9
410.47125	0.8
429.33859	1.4
503.37405	4.6
521.38409	100.0
522.38611	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05296	1.6
55.05508	15.6
57.03432	1.4
57.07062	4.8
57.27757	1.4
65.66006	1.3
67.05498	12.2
69.03409	4.3
69.06723	1.8
69.07066	25.2
70.64988	5.1
79.05477	9.5
81.07052	69.7
82.35187	1.5
83.04944	3.6
83.08617	7.7
85.02889	2.6
85.06518	5.3
91.05471	4.7
93.07041	19.3
95.04943	3.1
95.08598	32.7
97.02917	1.5
97.06521	4.7
97.10166	20.7
99.04431	2.1
105.06989	8.3
107.08586	24.7
109.02854	1.4
109.10143	23.9
109.10839	2.6
111.08059	2.7
111.11729	7.1
119.04929	1.9
119.08576	8.0
120.08981	1.6
121.10144	19.8
123.04425	2.3
123.11702	100.0
125.09608	3.3
131.08548	3.5
133.10175	8.9
135.10796	1.5
135.11656	8.6
137.13226	9.5
139.11172	19.2
140.48112	1.5
145.10057	2.7
147.04373	6.9
147.11673	8.5
148.04726	3.2
149.09624	1.6
149.13242	22.7
155.14238	1.9
157.12225	13.0
159.11676	1.6
161.13214	4.3
163.14787	4.2
173.13275	2.4
175.14777	3.2
177.16371	3.6
189.16316	2.2
202.04868	2.0
203.12720	13.4
203.17918	1.6
213.16336	1.8
221.18915	3.6
239.19966	3.9
253.21576	2.9
259.24112	2.3
275.23721	1.9
277.25137	3.5
287.23581	3.7
293.24686	17.3
305.24728	58.9
311.25812	5.7
323.21988	2.7
323.25790	48.4
341.26913	5.7
372.53799	1.6
445.67075	1.6
521.27319	3.6
524.45001	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.01857	0.9
55.05504	19.8
56.96579	0.7
57.03433	4.3
57.07066	3.7
58.14936	0.6
59.04995	0.6
65.03913	1.2
67.05500	27.0
69.03415	1.4
69.07062	22.1
69.31554	2.3
69.31973	4.8
71.04977	3.0
71.08614	1.8
79.05486	16.4
81.03412	26.2
81.07049	33.4
83.04968	3.9
83.08611	19.2
83.09106	0.9
85.02413	1.2
85.02899	13.3
85.06555	0.7
85.10180	0.9
86.80126	0.6
91.05470	12.3
93.07032	18.4
95.04961	13.0
95.08594	18.7
97.02908	0.7
97.06532	2.6
97.10162	7.8
99.08076	1.4
101.05070	0.6
105.04533	0.7
105.07027	9.3
107.04936	1.9
107.08591	7.7
109.06517	2.1
109.10151	7.8
111.08075	7.2
111.11726	2.2
113.05991	1.2
117.07034	1.4
119.08559	8.2
121.10126	12.9
123.08060	1.1
123.11697	4.0
125.09608	1.5
127.11160	0.7
129.06998	3.8
131.08554	4.6
133.06462	1.5
133.10094	3.3
135.11670	8.3
137.09608	1.1
137.13232	2.6
141.02251	0.7
142.07782	1.8
145.10127	1.6
147.08015	1.2
147.11662	5.7
149.09636	2.9
149.13272	2.7
153.12747	0.6
157.10115	6.0
163.14719	0.8
165.12798	1.1
172.95212	5.4
175.11165	7.2
177.16484	0.7
184.07339	1.1
190.96242	3.2
193.12228	27.2
197.31517	0.7
211.13277	34.5
213.97961	0.8
219.21062	1.9
227.12793	0.9
228.97893	1.8
237.22131	6.2
246.98984	1.0
249.14897	1.4
267.15845	4.7
285.17068	0.9
303.01794	0.8
311.25757	3.9
429.33749	1.5
447.18259	1.0
465.19366	2.4
503.37592	4.6
521.22424	3.8
521.38354	100.0
522.23346	0.8
522.38599	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.05510	20.8
57.07068	5.4
67.05502	29.0
69.03409	6.6
69.07061	30.1
69.38231	6.2
69.38638	15.9
71.04996	2.4
79.05486	18.6
80.69363	2.1
81.07050	94.8
83.04985	2.9
83.08609	16.5
85.02886	7.6
85.06533	4.7
87.04430	1.8
90.27653	2.1
91.05441	13.0
93.07034	53.3
95.04953	5.0
95.08595	75.9
97.02884	3.7
97.06539	12.0
97.10163	19.7
105.07023	30.4
107.08589	58.8
109.06518	5.7
109.10146	55.9
109.77380	1.8
111.07432	1.9
111.08069	11.8
111.11728	4.5
112.03412	1.9
117.07037	3.6
119.04966	2.3
119.08574	27.0
119.39319	2.6
121.10131	36.4
123.04406	4.6
123.08095	3.5
123.11691	30.3
125.09604	11.8
131.08554	5.5
133.10115	22.3
135.11674	33.1
137.09621	7.7
137.13245	6.8
139.11198	5.0
145.10112	9.9
147.04407	4.6
147.11656	20.6
149.09590	2.3
149.13249	54.5
151.03885	2.7
151.11151	5.1
153.01802	7.4
159.11682	9.5
161.13205	12.8
163.03941	2.7
163.11105	4.3
163.14830	17.7
165.12749	5.9
165.16391	2.6
167.14328	2.5
171.11728	2.2
173.13261	4.1
175.14828	9.1
177.12747	2.4
177.16425	10.6
179.14290	2.6
181.97330	2.1
183.17490	2.0
187.14830	3.2
189.16383	12.0
193.15845	5.6
195.17409	4.6
205.15903	2.1
207.06468	2.4
213.16437	3.0
223.16937	2.8
235.16841	3.3
257.22772	2.2
259.24197	9.3
261.22186	2.2
269.22641	7.9
275.23648	12.4
277.25186	18.9
287.23499	12.5
293.24741	28.7
305.24728	100.0
311.25891	5.6
323.25797	37.7
521.10455	2.7
521.19818	2.7
521.27118	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	521.3321
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.05508	15.2
57.07056	4.4
67.05495	22.3
69.03398	2.1
69.06731	2.0
69.07068	26.4
69.82245	7.0
69.82663	5.3
71.04976	3.6
79.05487	20.7
81.03392	2.8
81.06582	3.7
81.07053	72.6
83.08617	10.5
84.68755	1.9
85.02879	5.6
85.06516	4.1
91.05464	11.0
93.07034	49.7
95.04954	6.0
95.08604	66.4
97.06503	6.4
97.10186	14.3
100.54572	1.9
105.07034	24.4
105.38575	1.9
107.08585	53.0
109.06509	3.1
109.10151	44.8
111.08079	7.8
111.11720	6.0
119.04959	2.0
119.08575	21.2
121.10138	37.0
122.60837	2.3
123.08092	3.1
123.11692	28.9
125.09605	5.8
127.03847	2.5
131.08536	2.5
133.10121	23.1
135.08043	2.4
135.11696	23.3
137.09602	3.9
137.13228	6.1
139.11165	4.6
143.08592	1.8
145.10153	9.5
147.04405	2.9
147.11668	19.8
149.09547	2.8
149.13251	61.7
151.11205	5.3
151.14754	2.5
153.01814	4.8
159.11700	6.8
161.13197	9.1
163.11163	2.0
163.14806	15.6
165.12674	2.9
165.16385	2.0
173.13272	3.2
175.14842	5.7
177.12718	1.9
177.16368	8.2
179.14319	2.2
189.16345	7.1
193.15782	3.4
195.13826	3.2
195.17581	4.6
207.06483	2.8
207.17407	2.3
209.15355	4.4
213.16367	2.6
223.16901	4.0
243.20952	2.6
249.18448	2.4
259.24222	8.5
269.22641	7.8
275.23596	6.2
277.25281	15.3
287.23642	14.1
293.24756	23.8
305.24731	100.0
306.25241	2.1
311.25958	2.5
323.25784	30.2
341.26599	2.0
521.27234	50.3
521.34930	4.0
522.41821	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	521.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69709	2.8
55.05507	20.5
57.07066	7.4
58.93559	3.5
67.05502	26.8
67.17195	2.9
69.03411	6.6
69.07066	29.0
69.64558	26.2
71.04967	5.8
75.02685	2.8
79.05488	20.7
81.03400	6.1
81.06576	6.7
81.07050	97.6
83.04955	5.5
83.08607	17.6
83.88333	3.5
85.02901	7.7
85.06527	7.0
91.05450	19.5
93.07037	58.4
95.04968	7.3
95.08605	79.6
97.02851	3.9
97.06525	8.5
97.10175	20.8
98.20828	5.2
99.04457	3.6
105.07028	32.5
107.04926	3.8
107.08591	62.2
109.02860	4.5
109.06501	6.9
109.10145	60.1
111.04442	3.8
111.08102	7.4
111.11713	8.7
119.04926	8.0
119.08611	29.2
121.06507	3.4
121.09322	3.8
121.10135	48.4
123.04433	7.4
123.08084	26.2
123.11697	30.1
124.08391	10.2
125.09613	8.3
127.07530	4.2
131.08553	8.5
133.10129	29.7
135.08035	5.1
135.11678	35.6
137.05969	4.2
137.09601	8.4
137.13235	8.1
139.11101	5.2
145.10092	9.5
147.04402	31.8
147.11705	21.8
149.13246	73.9
151.11153	6.8
151.14793	4.2
153.01804	10.5
157.10083	3.9
159.11679	12.2
161.13235	13.6
163.11111	3.8
163.14786	16.4
165.12784	6.8
167.05598	3.0
167.06967	4.9
173.13219	7.5
175.14789	7.8
177.05499	3.4
177.16367	9.0
179.07001	3.8
187.14784	5.2
189.16342	13.0
193.15901	3.4
195.17479	4.8
203.18092	3.4
207.06558	4.7
209.15347	3.6
259.24203	12.0
265.17999	3.3
269.22705	6.9
275.23694	8.8
277.25275	18.5
287.23672	15.1
290.96695	3.2
293.24710	30.5
305.24707	100.0
323.25732	25.7
359.21838	4.0
503.16324	3.3
521.10577	3.8
521.20074	3.5
521.27234	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42054	0.9
52.41901	0.9
53.03936	3.0
55.01870	1.9
55.05506	11.6
55.96181	0.9
65.03936	2.5
65.17628	0.9
67.05502	28.3
69.03426	7.5
69.07066	13.3
69.84610	5.7
71.04993	1.1
75.51733	0.8
77.03972	0.9
79.05491	24.3
81.07055	23.1
83.04980	6.7
83.08609	1.7
91.05477	88.7
93.07044	16.9
95.04953	5.8
95.08604	4.8
97.06506	1.6
98.21408	1.1
103.05481	4.8
105.07027	100.0
107.04963	3.0
107.08596	5.1
109.02879	1.0
109.06522	2.3
109.10166	3.8
115.05444	1.7
117.07030	9.6
118.07777	1.7
119.08577	60.0
121.06519	2.8
121.10151	1.7
129.07008	4.3
131.08562	9.1
133.06476	7.1
133.10132	19.9
135.08058	2.9
135.11670	1.1
139.11171	0.8
141.07082	1.3
142.07796	2.6
143.08568	2.9
145.10121	4.5
147.08041	3.1
147.11682	85.6
148.12062	1.2
149.09615	1.7
155.08551	2.8
156.09312	1.2
157.10103	7.8
159.08080	3.2
159.11760	1.7
160.83478	0.9
161.09654	2.4
163.07541	1.8
165.07005	2.8
166.07784	1.9
167.08588	1.9
168.09384	1.2
169.10066	1.9
171.08012	2.8
171.11716	1.5
172.08765	1.0
173.09613	3.2
173.11807	1.2
173.13283	1.3
175.07626	1.3
175.11179	28.7
177.12733	1.3
179.08554	1.5
180.09381	2.5
181.10158	2.6
183.08083	2.2
183.11755	1.7
185.09636	5.0
187.11176	3.3
190.07806	1.1
193.10106	4.3
193.12164	1.8
195.08014	2.0
195.11731	3.0
196.08864	1.8
197.09628	2.4
197.13344	1.4
198.10365	1.1
199.11191	3.8
201.09096	1.4
201.12787	1.3
205.12228	1.2
207.11766	1.8
208.08859	1.7
209.09656	7.1
209.13213	1.3
210.10327	1.8
211.11136	7.0
211.14703	0.9
213.09174	1.3
213.12746	2.2
215.10764	1.0
217.10205	1.9
219.11671	0.9
221.09581	1.4
221.13295	1.2
222.10510	1.4
223.11165	7.4
224.08330	1.4
224.11987	1.8
225.09200	1.4
225.12723	3.4
227.10672	3.2
229.14351	1.6
232.12550	0.9
233.09514	1.1
235.11211	3.9
236.12004	1.4
237.12694	1.2
237.16438	1.3
239.10701	2.1
239.14308	2.2
241.12299	4.4
241.15884	1.1
247.14970	1.3
250.13608	2.7
251.10706	4.0
251.14348	1.4
253.12173	1.6
255.10168	1.4
255.17403	1.0
260.12006	1.1
263.10690	1.5
263.14374	1.4
265.15872	6.2
267.13733	6.6
269.11673	2.8
269.15433	3.0
275.14334	1.6
275.20215	1.2
278.13077	1.1
283.16806	4.7
293.15332	11.9
311.16406	23.7
329.17502	13.1
362.39545	1.1
378.10898	1.1
423.27609	1.1
428.05600	1.0
503.33646	1.6
521.28442	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.7
52.69829	0.4
53.03934	1.6
55.01858	0.5
55.05497	1.2
56.86715	0.3
63.02816	0.4
65.03927	0.8
67.05480	0.7
69.03417	4.5
69.07071	0.7
69.52153	2.4
69.52561	0.8
71.04970	0.5
77.03911	0.7
79.01841	1.4
79.05489	10.9
80.11635	0.4
81.03413	2.3
81.07037	1.4
83.04976	1.3
85.02888	1.1
87.11973	0.4
91.05462	2.1
93.07018	0.6
95.04939	3.9
95.08609	0.5
97.02875	1.7
100.23773	0.4
103.05463	5.2
105.04473	0.6
105.07028	6.5
107.01280	0.6
107.04956	0.7
107.08570	2.8
109.02866	1.7
109.06509	1.7
109.21039	0.4
117.07010	0.7
119.04977	0.5
119.08561	3.5
121.06483	5.5
121.10145	1.8
123.08079	1.0
125.02325	1.7
125.34351	0.4
127.03896	2.7
129.06998	0.7
131.08556	1.1
133.06480	100.0
133.10068	2.0
134.06798	0.5
135.08064	2.5
137.05977	0.8
143.03394	1.9
143.08565	1.2
145.04915	0.6
145.10068	1.2
146.10789	0.4
147.08037	3.1
147.11664	1.4
149.09633	1.5
151.07526	0.6
153.01817	35.9
156.09357	1.1
158.10988	0.8
159.08055	0.6
161.09552	1.0
161.13231	0.8
163.11177	7.6
171.02919	3.6
171.11688	1.0
173.13196	1.9
174.10350	0.7
176.11900	0.5
182.76364	0.5
189.12729	28.8
191.14291	18.9
191.16048	0.9
205.75464	0.4
207.06374	0.4
207.13786	23.0
210.15646	0.7
282.31668	0.4
297.05933	2.5
315.07034	3.8
351.18094	0.7
485.18900	0.4
521.27118	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.05518	10.2
57.07073	2.1
65.03926	3.2
67.05505	28.6
69.03429	5.0
69.07063	12.5
69.49886	9.9
79.05492	29.8
81.07059	24.8
83.04975	8.5
83.08652	1.7
91.05479	99.0
93.07049	19.3
95.04964	6.6
95.08602	5.9
103.05457	5.2
105.07026	100.0
107.04958	4.2
107.08586	4.4
108.31937	1.4
109.06531	2.2
115.05471	1.7
115.21761	1.3
116.82114	1.4
117.07008	10.2
119.08582	62.3
121.06525	2.2
121.10144	2.3
123.98554	1.4
125.09520	2.4
129.06985	4.0
131.08569	7.2
133.06499	8.6
133.10136	14.5
135.08098	1.9
141.07047	2.3
142.07776	4.0
143.08589	2.5
145.10136	6.1
147.08049	4.1
147.11687	79.3
155.08487	2.6
157.10120	5.7
159.08049	2.7
159.11627	1.8
161.09706	2.4
163.11212	1.9
165.07031	1.9
166.07784	1.9
171.08029	2.4
171.11626	2.9
173.09676	2.5
175.11183	21.7
180.09416	1.7
183.11777	2.0
185.09633	6.4
187.11247	3.9
193.10187	4.4
193.99767	1.7
195.08122	2.8
195.11621	3.1
196.08904	2.0
197.09563	3.1
197.13255	2.0
199.11191	2.7
206.10789	1.8
207.11696	3.5
208.08733	2.0
209.09596	4.1
210.10298	2.4
211.11143	7.5
213.12825	2.9
217.10167	2.1
222.10265	2.3
223.11214	5.9
225.12733	3.3
227.10725	3.3
227.12743	2.9
233.09634	1.8
235.11267	3.2
236.12068	2.3
239.10716	2.4
239.14359	3.8
241.12254	3.1
248.11911	1.5
249.12791	1.7
251.10699	2.3
251.14311	4.0
252.42130	1.6
253.12067	2.3
265.15805	8.2
267.13791	6.7
269.11899	2.6
269.15399	3.9
278.12933	2.1
283.16922	5.8
293.15359	11.6
311.16406	26.3
311.19800	2.4
329.17496	15.3
521.29181	2.1
521.38342	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	521.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45332	0.7
53.03942	0.9
55.05499	2.6
57.03429	1.4
59.04998	5.7
64.13527	0.8
67.05489	2.4
69.03418	9.0
69.07070	4.2
70.15256	3.7
71.04982	8.1
79.01842	2.5
79.05493	2.5
81.03419	7.4
81.07058	3.3
83.04970	6.1
83.08642	1.2
85.02901	10.5
85.06561	1.1
91.05464	4.1
93.07047	6.1
95.04973	1.9
95.08584	7.7
97.02887	5.9
97.06523	0.8
99.04457	1.7
101.06025	1.7
102.93787	0.8
105.06366	1.7
105.07021	12.6
107.01323	1.9
107.08585	12.3
109.02876	5.1
109.06516	7.4
109.10172	2.1
117.07034	1.8
119.04930	1.4
119.08569	15.1
121.06530	3.2
121.10162	6.8
123.08060	21.2
123.11697	1.1
124.08868	1.0
125.02349	3.8
127.03911	7.6
128.06195	0.9
129.06976	1.3
131.08566	2.8
133.06512	3.1
133.10124	7.9
135.08047	3.0
135.11714	2.4
137.09581	2.8
141.07036	1.2
142.07770	1.1
143.03383	7.1
143.08601	2.2
145.06490	1.8
145.10129	1.5
147.08022	8.3
147.11693	9.1
149.08400	1.4
149.09612	22.5
151.07616	1.6
151.11212	1.1
153.01820	100.0
155.08557	1.2
156.09335	7.3
159.08063	7.9
159.11667	1.9
160.08859	1.9
161.09612	2.6
161.13237	10.8
163.03864	1.1
163.11229	3.0
165.12750	1.6
167.05603	0.8
171.02913	11.2
171.11676	7.8
173.09578	1.2
174.10399	19.0
174.83298	0.8
177.05544	1.1
179.03397	3.4
179.14304	4.4
181.01315	1.6
183.08029	1.8
187.11240	1.4
189.12732	54.0
191.14325	1.6
191.23705	1.0
193.04919	1.3
195.02927	1.0
207.02901	2.3
207.13792	59.9
209.04459	1.8
209.09476	1.1
211.07533	5.7
213.05643	1.0
221.04480	1.9
225.09149	1.9
229.08490	1.5
237.02669	0.9
237.09071	1.3
239.07022	5.8
241.08615	0.9
243.06502	1.8
244.99843	1.1
256.07224	1.1
257.04196	1.1
257.08054	11.8
259.01230	1.8
259.06000	2.3
267.06488	1.9
271.06052	1.8
271.09662	2.4
273.07681	2.2
277.12265	1.9
283.09567	1.2
284.10480	1.2
285.07574	6.1
286.08325	1.1
293.08078	1.0
295.13312	2.7
297.05978	4.3
298.08322	1.5
299.06104	0.9
299.09146	4.1
299.12680	2.7
301.02216	1.1
305.11618	2.1
308.10562	2.8
311.09241	1.8
312.10010	1.0
313.14380	3.1
315.07053	8.9
319.04459	1.3
323.12717	6.2
326.11435	1.9
341.13815	55.3
359.14990	4.3
369.19034	1.2
370.80914	1.0
393.01434	2.9
411.02151	1.5
503.18997	2.3
521.20148	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57585	5.0
55.05497	21.0
57.07059	20.7
67.05498	32.3
69.07074	32.3
71.04981	6.3
79.05476	23.7
81.07052	69.8
83.08615	15.0
85.02867	9.9
85.06561	11.4
91.05392	10.6
93.07027	60.0
95.08600	76.8
97.02890	7.0
97.06551	9.3
97.10159	17.0
105.06997	29.8
107.08586	52.5
107.17730	5.2
107.44227	6.1
109.06483	11.6
109.10130	44.0
111.08072	10.7
119.08571	24.3
121.10126	42.1
123.08025	6.8
123.11671	19.0
131.08554	11.2
133.10129	66.9
135.11696	36.2
137.09604	6.9
137.13243	5.5
139.11249	8.0
145.10098	7.2
147.04424	9.5
147.11671	19.9
148.55652	6.0
149.13220	46.8
159.11687	12.9
161.13228	14.7
163.14806	22.2
166.53114	5.0
167.05576	6.4
173.13324	10.5
175.14903	6.6
184.30394	5.7
185.97559	5.2
187.14806	5.5
189.16328	8.2
203.18034	5.9
213.16405	6.3
259.24191	47.7
269.22662	10.8
277.25186	56.8
287.23730	7.3
300.06265	11.5
305.24753	100.0
323.25739	58.5
341.26837	8.2
437.15640	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	521.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01638	0.3
51.02374	0.4
53.03940	1.6
55.01863	0.6
55.05500	1.2
57.03435	0.5
59.05003	0.4
63.97580	0.3
65.03917	0.4
67.05499	0.8
68.85381	0.4
69.03426	4.6
69.07057	0.9
69.27834	0.8
69.28242	3.5
70.06590	0.5
71.05002	0.8
73.02910	0.4
77.03912	0.8
79.01840	0.7
79.05054	0.7
79.05491	9.2
81.03406	1.8
81.07060	1.3
83.04971	1.9
85.02878	2.1
85.06542	0.4
91.05459	1.8
91.14641	0.4
93.07028	0.9
94.19249	0.4
95.04962	3.3
95.08596	0.7
97.02888	1.7
98.21442	0.8
99.04453	0.4
103.05469	4.3
105.04515	0.6
105.07030	7.2
107.01321	0.6
107.04967	0.5
107.08614	2.3
109.02874	1.3
109.06494	2.6
109.10146	1.1
110.06870	0.7
117.07034	0.6
119.04929	0.3
119.08579	3.2
121.06511	5.0
121.10137	1.6
122.86859	0.3
123.08063	1.5
125.02353	1.2
127.03912	2.5
129.07027	0.6
131.08574	1.7
133.06488	100.0
133.10049	2.0
135.08035	3.2
135.11618	0.5
136.08417	0.5
137.05984	0.7
143.03368	1.7
143.08514	1.0
145.06534	0.4
145.10130	1.4
147.08047	3.5
147.11757	2.1
149.09569	1.9
149.13220	0.4
151.07539	0.7
153.01826	37.2
156.09351	1.3
158.10921	0.7
159.08095	1.1
159.11768	0.4
160.08841	0.3
161.09631	1.2
161.13310	0.9
163.11171	7.0
164.63507	0.4
168.81001	0.4
171.02876	4.1
171.11636	1.0
173.13181	1.7
174.10463	0.9
189.12740	31.2
191.14308	22.6
191.16080	0.8
192.14696	1.2
207.13792	25.2
209.15398	1.7
210.15736	1.1
214.68538	0.3
231.13913	0.4
297.06155	2.7
315.07034	3.6
351.18057	0.4
521.27246	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.3
56.05018	0.5
57.03432	0.1
58.06298	0.1
58.06616	0.5
59.07123	0.1
59.07378	0.1
60.08156	6.0
62.88552	0.1
63.00680	0.1
67.05497	0.6
69.07053	0.3
69.65202	0.1
69.96348	0.3
70.06583	0.1
71.07367	2.5
79.05476	0.1
81.07040	0.4
83.08594	0.1
84.08106	0.1
86.09695	28.2
91.05431	0.1
93.07040	0.2
95.08614	0.4
97.10165	0.1
98.98454	2.5
104.10729	2.9
105.07009	0.1
109.10117	0.1
109.70853	0.1
119.08538	0.1
124.99988	19.4
143.01021	0.3
156.74055	0.1
156.79800	0.1
166.02660	0.1
184.07315	100.0
185.07613	0.2
225.04211	0.1
258.10913	0.1
337.27219	0.1
502.32932	1.1
503.32870	0.1
520.33911	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3397
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
51.15983	0.1
55.05509	1.2
56.05032	1.4
57.03415	0.4
57.07065	0.2
58.06573	1.3
60.08160	16.9
65.03934	0.4
67.05503	3.6
69.07062	1.7
70.06590	0.2
70.53962	0.4
71.07369	6.6
76.26422	0.1
79.05482	0.9
81.07050	3.1
83.04961	0.3
83.08632	0.4
86.09699	55.2
87.10022	0.2
87.58645	0.1
91.05480	0.6
93.07034	0.9
95.08604	2.2
97.06543	0.2
97.10110	0.2
98.98460	4.3
104.10737	93.5
105.07014	0.5
105.11064	0.4
107.08578	0.6
109.10155	0.8
121.10118	0.3
123.11682	0.2
124.99996	32.2
133.10101	0.2
143.01031	0.4
163.01559	0.6
166.02596	0.2
179.23366	0.1
181.02615	0.2
183.00299	0.2
184.07327	100.0
185.07600	0.2
226.84801	0.2
258.11017	1.0
293.75766	0.2
337.27377	0.7
340.11633	0.2
443.25400	0.2
502.32907	9.1
520.33966	35.9
521.34509	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01862	3.7
55.05500	3.0
55.66099	0.9
57.03434	7.2
57.07057	1.1
59.04979	1.9
59.55921	0.9
61.02921	5.6
67.05499	1.8
68.42186	1.0
69.03428	18.6
69.07059	3.7
69.60101	1.9
69.60508	6.2
71.01330	2.3
71.04977	2.7
73.02915	25.4
75.38682	0.9
79.05483	3.7
81.03418	2.8
81.07038	3.9
83.08630	1.3
85.02902	35.6
85.06525	2.8
85.85823	1.0
87.04471	2.2
88.14297	1.0
91.03954	2.0
91.05439	8.1
93.07030	5.8
95.04972	1.1
95.08581	3.7
97.02885	25.7
97.06524	3.5
99.04480	1.5
103.03924	2.1
105.07023	31.1
107.08591	6.6
109.02873	3.5
109.06519	0.9
109.10131	2.6
109.88216	1.0
115.03917	11.4
117.07011	2.9
119.08569	23.6
120.08074	1.7
121.10138	9.6
123.04414	2.6
123.11723	2.6
127.03923	11.5
131.08557	23.5
133.04962	10.2
133.10124	24.0
135.08052	1.9
135.11697	1.9
137.05954	1.2
143.08551	1.4
145.04956	10.8
145.10098	11.2
147.04424	2.7
147.11679	100.0
149.09612	1.9
149.13261	1.7
153.01826	5.1
158.10901	2.3
163.05992	4.4
163.14790	2.1
167.05582	2.1
173.13252	61.9
175.14824	51.3
183.06406	1.0
189.12787	1.1
191.14290	90.9
192.14494	1.0
207.13795	3.8
209.15387	4.1
223.06038	1.7
223.40071	1.2
241.07091	2.3
259.08145	3.6
287.81390	1.1
295.10272	1.6
371.20734	1.6
372.88522	1.1
377.08688	1.1
520.21173	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
55.01863	3.8
55.05511	3.1
57.03439	6.5
59.04987	1.7
61.02941	4.1
67.05493	2.6
69.03432	16.0
69.07071	5.0
71.04980	1.9
71.21351	1.5
73.02911	19.5
75.69379	0.9
79.01857	2.6
79.05478	2.5
81.03413	8.8
81.06639	0.7
81.07046	4.9
83.08613	2.1
85.02898	36.8
85.06532	3.6
87.04463	1.8
88.98045	0.7
91.03938	2.0
91.05431	6.0
93.07045	6.4
95.04931	2.1
95.08614	2.8
97.02883	29.5
97.06530	3.1
97.10181	0.9
99.04443	2.8
100.46320	0.9
103.03941	1.6
105.07024	21.6
107.04875	1.1
107.08581	8.5
108.04516	1.0
109.02865	8.5
109.06521	2.6
109.10160	6.2
111.08080	1.3
115.03912	7.5
117.07027	2.2
119.08575	17.6
119.29882	0.8
120.08094	8.9
121.10136	9.3
123.04419	19.6
123.08061	1.2
123.11680	2.2
124.04743	5.0
125.02383	3.1
127.03910	19.7
127.61089	0.9
130.06544	1.7
131.08559	19.5
133.04959	8.0
133.10118	40.1
135.04449	1.0
135.08067	1.9
135.11688	1.3
137.05894	0.9
139.03882	5.1
140.04353	1.3
143.03386	4.4
143.08534	2.4
145.04948	12.0
145.10109	9.3
147.04332	4.3
147.11674	50.5
149.09613	1.5
149.13176	1.5
153.01817	93.6
156.48984	0.9
158.10915	3.1
159.09167	3.8
160.09567	2.6
163.06049	3.5
163.14815	2.2
165.05510	1.4
167.05554	1.2
170.06099	1.0
171.02866	13.1
171.11674	1.0
173.13248	50.5
175.14825	36.8
177.05376	1.0
177.84515	1.0
187.08655	1.2
188.07074	2.7
191.14293	100.0
201.10271	2.3
202.10567	1.1
209.15382	1.8
223.06015	1.3
229.09731	1.5
241.07170	2.3
246.09608	1.1
247.10754	2.4
248.11125	1.8
259.08157	4.3
273.07416	4.5
274.07959	3.0
297.06021	7.6
299.06155	2.1
300.06110	1.9
310.12756	2.4
315.07095	20.8
318.31094	0.8
320.90698	1.1
341.19788	1.1
379.43121	0.9
520.24500	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	519.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59875	1.2
53.03945	2.3
55.01854	2.6
55.05505	7.7
57.03405	1.5
65.03950	2.1
67.05183	1.4
67.05505	16.5
69.03426	13.1
69.07050	5.7
69.39149	1.1
70.73717	4.2
71.04971	2.3
77.03915	1.8
79.05484	15.2
80.26088	1.3
81.03437	1.1
81.07051	13.5
83.04974	7.0
83.08597	2.1
91.05469	43.4
93.07035	20.1
95.04965	13.2
95.08582	7.8
97.06554	1.7
100.38832	1.3
103.05453	2.5
105.07027	61.4
107.04936	4.4
107.08590	7.8
109.02896	1.5
109.06497	4.3
109.10158	2.5
111.08125	1.4
115.05436	3.9
117.07010	10.5
119.04934	2.0
119.08578	27.8
121.06512	8.4
121.10119	4.1
123.08055	5.1
128.06258	3.5
129.06996	12.0
131.08556	22.0
133.06500	20.8
133.10123	53.2
135.08052	5.8
135.11674	3.9
137.09654	1.1
141.06976	2.9
142.07779	6.4
143.08551	5.7
145.06503	3.1
145.10146	7.8
146.07230	2.2
147.08020	7.7
147.11682	39.5
149.05965	1.4
149.09608	2.1
149.13254	4.2
151.07530	2.4
153.06969	2.2
154.07817	1.7
155.08521	4.6
156.09315	1.4
156.44151	1.3
157.10115	13.5
158.07239	1.6
159.08038	6.2
159.11694	5.9
161.05904	1.6
161.09550	1.8
165.07027	6.0
166.07744	2.9
167.05600	3.2
167.08549	4.4
169.10124	5.4
171.08023	4.2
171.11659	2.3
173.09625	6.5
175.11176	100.0
177.12764	10.3
178.07806	3.4
179.07094	1.8
179.08530	6.9
180.09305	4.5
181.06543	1.4
181.10031	7.3
183.08026	4.7
183.11670	3.6
185.09641	6.2
185.13170	1.6
187.07578	1.5
189.09126	1.9
189.12773	2.5
191.08661	2.7
191.10738	1.9
192.09286	4.2
193.10123	9.1
193.12221	11.5
194.10939	2.8
195.07965	7.1
195.11650	9.5
196.08867	3.7
197.09541	8.2
197.13293	2.9
198.10414	1.4
199.11179	4.2
201.09010	1.4
203.10703	2.5
205.10187	7.0
206.10866	4.5
207.08093	2.6
207.11684	7.2
208.08858	6.5
208.12469	2.0
209.09660	9.6
209.13254	3.3
210.10432	2.3
211.11195	8.6
212.11885	1.4
213.09164	1.4
213.12669	3.1
215.08583	1.9
216.09428	1.3
217.10107	1.2
218.10837	2.1
219.07965	3.3
219.11644	3.6
220.08890	1.9
220.12508	4.0
221.09694	7.1
221.13234	3.2
222.10413	5.0
223.11172	12.2
223.14725	2.4
225.09077	3.9
225.12743	4.0
226.09746	1.5
227.10529	1.6
230.11018	2.3
231.11710	1.6
231.13800	1.6
233.09619	8.4
233.13268	2.3
234.10304	1.5
235.11107	9.1
235.14853	3.6
236.11937	4.3
237.09097	4.4
237.12749	5.2
239.10623	4.6
239.14317	3.4
241.12254	3.2
245.13213	2.7
246.10387	2.5
247.11169	3.3
248.11969	7.5
249.12776	5.4
250.37611	1.3
251.10674	6.8
251.14351	9.9
253.12202	3.9
253.15958	2.1
255.10194	4.0
259.11084	1.7
261.08966	2.1
261.12723	2.1
263.14264	11.4
264.11493	3.1
265.12164	2.0
266.13052	2.1
267.13864	7.2
269.11816	7.2
273.12704	2.6
276.11487	3.4
279.13733	4.6
281.15393	8.4
291.10986	1.6
291.13727	9.5
297.14926	2.4
299.06122	5.1
299.16400	2.6
309.14853	21.2
325.14487	1.8
327.15906	32.1
357.26193	4.0
455.25687	2.1
465.24316	2.4
473.26572	1.7
483.25262	4.4
501.26242	9.3
519.30768	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3239
Annotation	1-18:3-lysoPC
Peak:m/z	Relative Intensity
55.05509	1.0
56.05029	1.3
57.03426	0.3
58.06569	1.4
59.07387	0.3
60.08161	16.1
67.05508	2.6
69.07053	0.6
70.06573	0.2
70.66134	0.6
70.66485	0.3
71.07368	5.9
75.58341	0.2
79.05479	1.4
81.07052	2.1
86.09700	49.8
87.10040	0.3
91.05471	0.9
93.07034	1.6
95.04977	0.2
95.08606	1.4
98.98457	4.0
104.10738	100.0
105.07039	0.6
105.11063	0.4
107.08609	0.7
109.10171	0.7
115.72731	0.2
119.08555	0.3
121.10152	0.8
124.99997	27.3
133.10146	0.3
143.01080	0.4
145.10075	0.3
163.01593	0.7
163.61488	0.2
166.02582	0.3
183.60838	0.2
184.07329	95.7
185.07756	0.4
202.13080	0.2
229.26999	0.3
238.49860	0.2
258.11017	1.2
335.25760	0.8
423.52255	0.2
453.88257	0.2
500.31311	9.7
518.32422	36.9
519.32654	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	8.7
56.96562	4.0
57.07071	66.0
60.64526	4.3
60.97537	3.9
63.52069	4.2
65.03939	3.3
67.05495	8.6
69.03426	5.1
69.07059	14.9
70.13557	17.9
71.04989	3.8
79.05481	8.7
81.03419	7.5
81.07045	17.8
83.04976	29.8
83.08618	4.8
85.02898	9.1
85.06535	54.0
91.05439	7.5
93.07015	20.0
95.04958	7.4
95.08606	32.2
97.02872	6.8
97.06539	4.2
98.21468	6.6
98.47387	4.5
99.04487	5.1
105.07009	18.8
107.08580	20.7
109.06541	18.5
109.10125	19.9
119.04913	6.8
119.08582	21.8
121.06503	12.5
121.10143	9.6
123.04394	5.4
123.08024	5.6
123.11689	6.9
131.08568	13.1
133.10107	12.3
135.08029	25.3
137.15532	4.4
139.11218	6.1
145.10126	13.7
147.04387	21.7
147.11705	8.7
151.03885	4.3
151.11168	35.4
153.01851	7.9
155.10664	7.7
157.10109	6.7
159.08102	4.8
159.11696	11.0
161.09631	11.1
161.13254	8.1
173.09634	12.3
173.13240	8.4
175.11195	6.8
183.13789	12.3
185.13240	9.5
201.12752	6.8
203.14333	14.0
204.08807	4.1
209.13205	4.2
211.16840	6.7
216.36523	4.6
219.17332	4.6
229.16005	5.1
256.81705	4.2
285.22125	16.4
299.06223	10.8
303.23157	91.1
321.24203	100.0
402.63397	4.4
518.17682	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	519.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.5
54.54485	2.7
55.01864	3.1
55.05506	11.7
57.03440	3.0
57.07081	3.2
65.03945	3.9
67.05499	19.7
69.03423	18.6
69.07055	9.7
71.12792	6.7
76.63508	3.3
79.05493	27.1
81.03390	5.0
81.07050	22.9
83.04985	5.5
83.08621	3.0
91.05470	77.6
93.07046	30.1
95.04959	16.2
95.08625	14.5
97.10158	4.1
103.05451	3.7
103.50533	2.9
105.07027	100.0
107.04937	10.4
107.08591	13.4
109.06505	3.9
115.05498	3.2
117.07013	14.2
119.04898	3.6
119.08580	49.5
121.06483	8.2
121.10120	7.8
123.08038	5.3
128.06215	4.3
129.07024	13.5
131.08560	22.8
133.06496	25.2
133.10135	55.5
135.08061	3.3
135.11685	8.5
137.06017	2.9
142.07823	6.7
143.08565	11.2
145.06488	5.1
145.10101	15.7
147.08026	7.1
147.11676	68.7
149.13257	3.9
153.07047	3.8
155.08572	11.8
157.10117	12.3
158.07355	4.3
159.08043	9.9
159.11650	8.4
163.11226	3.5
165.06998	11.3
167.08684	7.3
169.10126	5.9
171.08046	8.0
173.09619	9.7
175.07632	3.9
175.11176	87.9
177.12735	8.4
178.07854	4.2
179.08562	11.5
180.09267	6.8
181.06462	6.0
181.10059	6.5
183.08084	3.8
183.11726	4.9
185.09569	7.7
191.08519	4.0
191.10710	5.7
192.09386	5.7
193.10162	9.1
193.12302	13.0
194.10934	6.1
195.08012	6.7
195.11617	8.1
196.08873	7.5
197.09637	10.7
201.09164	5.3
205.10138	8.6
206.10907	5.0
207.11676	4.4
208.08849	13.2
209.09619	9.8
209.13335	3.4
210.10445	3.7
211.07565	4.3
211.11197	18.9
213.09216	3.9
213.12756	4.6
219.08083	6.4
221.09686	6.6
221.13217	4.7
222.10437	4.5
223.11124	23.5
224.08386	3.4
224.11864	2.9
225.09047	4.4
225.12819	7.1
227.12743	4.6
233.09624	11.9
234.10300	4.4
235.11285	7.8
235.14738	3.8
236.08247	5.8
237.09157	3.7
237.12772	4.4
239.10588	4.3
239.14220	4.3
241.12285	9.2
247.11165	5.0
248.12009	12.1
249.12645	5.0
251.10640	18.4
251.14330	6.7
261.09207	3.3
263.14365	17.5
265.12082	4.3
267.13870	9.0
269.11719	34.6
273.12625	3.6
276.11404	5.5
279.13763	7.8
281.15424	11.5
291.13782	18.8
296.03445	3.0
299.06287	4.9
299.16370	4.1
309.14911	25.6
327.15924	26.5
437.25110	3.6
455.25549	4.6
483.25186	4.7
501.25934	7.2
519.27289	9.9
519.36615	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	518.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.2
56.05034	0.5
57.03433	0.1
58.06624	0.5
59.07391	0.1
60.08161	5.9
67.05507	0.5
69.07054	0.1
70.06573	0.1
71.07372	2.7
72.00285	0.1
79.05496	0.3
81.07054	0.4
83.08643	0.1
86.09702	29.8
87.10025	0.2
91.05473	0.2
93.07038	0.3
95.08588	0.3
98.98460	2.6
104.10738	2.8
105.07001	0.1
116.99499	0.1
125.00001	19.6
143.01027	0.2
163.93811	0.1
184.07332	100.0
185.07774	0.4
258.11047	0.2
326.61588	0.1
335.25775	0.1
363.20673	0.1
500.31284	1.0
518.32434	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3887
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03952	1.1
55.05500	10.6
57.00070	1.1
57.03429	3.6
57.07072	1.5
65.03955	1.0
67.05504	20.9
67.05828	1.7
69.07069	10.5
69.95889	5.9
71.04977	1.1
71.08628	1.4
75.89630	1.1
76.91409	1.1
79.05489	17.1
81.07052	25.9
83.04993	1.7
83.08623	5.7
85.09178	0.9
91.05482	12.5
91.52268	1.1
91.80335	1.1
93.07034	20.3
93.71256	1.1
95.04976	2.5
95.08595	18.6
97.06526	2.6
97.10154	2.4
104.80777	0.9
105.07025	13.2
107.08592	14.5
109.10154	11.7
111.08070	1.6
117.07030	4.2
119.08578	15.8
121.10125	10.3
123.08107	1.4
123.11738	1.6
129.07019	2.7
131.08548	10.8
133.10130	13.2
135.11693	7.8
137.09566	1.5
139.11191	1.1
143.08589	4.6
145.10107	11.4
147.11674	9.5
149.13266	4.7
155.08592	2.8
157.10136	3.3
159.11716	8.6
161.13226	5.0
163.14847	2.2
169.10193	1.7
171.11696	4.9
173.13234	5.6
175.14838	3.8
183.11673	1.2
185.13295	3.6
187.14870	3.6
189.16356	1.3
199.14928	2.1
201.16429	1.4
211.14830	1.5
213.16518	1.8
241.17929	2.1
259.20691	3.2
285.22079	1.2
299.23685	1.6
313.81772	1.1
333.24454	1.9
407.33136	1.9
425.34140	8.2
443.35361	4.1
499.31061	1.7
499.37851	13.2
517.38885	100.0
518.39386	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.2
61.15135	0.5
65.03923	1.1
67.05489	1.7
69.03425	2.2
69.07054	2.0
70.95693	1.7
71.04993	1.0
79.05487	1.9
81.03420	2.7
81.07051	3.4
83.04984	1.2
85.02900	2.2
91.05476	8.3
93.07037	2.7
95.04969	1.3
95.08595	2.3
97.02883	1.2
105.07024	3.3
107.04939	0.8
107.08611	3.9
109.02877	1.2
109.06519	1.1
109.10159	2.8
111.11750	0.6
115.05473	0.8
117.07014	0.8
119.04935	16.9
119.08554	1.7
121.06535	0.8
121.10130	3.5
121.89431	0.5
122.07300	1.2
123.04427	0.9
123.08028	0.9
127.03954	1.1
131.08582	1.4
133.10132	17.3
133.11087	1.2
135.08047	1.5
137.09602	10.0
139.03900	2.3
145.04932	0.6
145.10126	1.1
147.04404	100.0
147.11676	0.9
148.04887	0.7
149.09636	0.7
149.13232	2.5
153.01857	2.8
157.10126	0.7
159.07974	0.5
159.11633	0.7
161.09651	0.6
165.05452	5.1
173.09714	0.7
173.13234	1.9
177.05464	1.1
189.94440	0.6
191.14284	7.0
291.08600	4.3
309.09549	5.7
315.06952	0.8
319.22601	0.7
347.67273	0.5
398.74567	0.5
461.04382	0.6
499.30588	0.8
517.26270	0.9
517.33826	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	517.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62252	1.3
53.03930	6.3
53.57850	1.4
55.01866	2.8
55.05507	18.6
56.81180	1.3
57.03436	10.1
57.07053	1.5
59.04989	2.1
60.52005	1.4
63.47986	1.3
65.03927	5.4
67.05502	52.9
69.03400	5.1
69.07056	10.8
69.61452	11.0
71.04974	4.2
72.04543	1.3
79.05487	51.2
81.03415	40.4
81.07050	53.5
83.04976	9.1
83.08611	17.7
85.02898	20.0
85.06525	2.7
91.05479	53.5
93.06470	3.0
93.07040	49.5
95.04965	26.5
95.08600	25.5
97.02887	2.6
97.06519	4.3
97.10138	6.8
98.21439	2.6
98.60104	1.5
103.05465	1.7
105.07024	34.4
107.04919	4.2
107.08585	23.3
109.06508	3.7
109.10143	11.3
111.04434	1.8
111.08096	6.7
112.25363	1.4
113.05994	1.9
113.09554	1.4
115.05412	2.5
117.07011	7.1
119.08578	26.8
121.06429	1.8
121.10146	18.5
123.07996	2.4
123.11669	4.0
125.09609	3.7
128.06230	1.8
129.07010	9.0
131.08569	16.0
133.10133	18.2
135.08012	2.5
135.11679	5.8
137.09578	2.5
142.07739	1.6
143.08543	3.5
144.67326	1.4
145.10129	11.8
147.07985	1.9
147.11700	14.7
149.09612	3.3
149.13220	1.9
155.08554	2.7
157.10150	10.0
159.11737	4.7
161.13208	2.8
163.11110	2.0
165.12741	2.4
169.10060	2.1
171.11716	3.0
173.13269	3.9
175.11214	10.0
187.14758	1.7
193.12221	34.0
193.13858	2.4
210.78339	1.4
211.13283	44.5
221.00192	1.3
227.12723	2.1
233.19011	2.4
239.18015	1.5
267.15948	5.3
273.22079	2.9
307.22610	3.3
399.62207	1.5
407.29355	2.5
499.34082	12.3
517.35168	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	8.8
56.96558	0.7
57.07071	2.0
59.04985	1.2
67.05499	7.6
69.03422	1.7
69.07062	100.0
70.01731	1.2
70.02137	3.9
70.06583	1.0
71.04984	2.9
73.06205	0.7
73.06558	4.5
79.01852	0.7
79.05491	2.9
81.03401	1.3
81.07051	13.7
83.04993	0.9
83.08604	1.9
85.02910	3.3
85.06547	1.2
87.04463	6.0
89.06023	91.6
91.05480	2.4
93.07039	3.3
95.04971	1.3
95.08599	13.3
95.92281	0.7
97.02869	1.3
97.06539	1.1
103.05457	0.7
105.07040	2.8
107.07057	5.5
107.08594	2.8
109.02949	1.1
109.06606	1.2
109.10139	4.9
111.11710	39.7
117.09128	2.7
119.04957	2.1
119.08577	1.4
121.10146	1.6
123.04456	2.6
125.02395	1.1
127.03940	1.7
130.08662	2.9
131.07033	2.3
133.08589	60.6
135.08104	1.4
135.11749	1.8
137.06009	0.9
137.13228	4.8
139.03937	1.2
143.13008	0.7
145.10173	1.4
147.04381	7.6
148.04758	2.3
149.13237	1.6
151.09642	1.7
153.01816	13.8
153.12767	2.2
155.14359	1.5
161.06018	2.8
161.11722	0.8
167.03462	1.3
167.14325	8.4
169.74136	0.8
171.02890	1.9
175.09827	1.1
177.05548	1.1
177.11209	26.6
193.08670	2.1
195.12398	1.1
199.16927	6.2
200.99055	0.8
221.13834	7.6
221.15742	0.8
239.14972	2.3
243.19542	10.5
265.16446	1.6
283.17426	4.9
301.21555	1.5
309.19162	1.1
315.07117	3.7
319.22809	1.8
327.20193	2.6
349.25958	1.4
371.22699	16.7
393.28574	2.3
398.34985	1.1
437.31415	2.5
481.33676	51.6
499.34445	4.0
516.29309	2.5
516.37762	3.4
517.20300	1.8
517.30615	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	11.1
57.07075	1.8
59.05024	0.9
67.05496	7.6
69.03453	0.8
69.07064	100.0
69.48422	1.0
69.48825	6.3
70.06579	2.8
71.05000	1.5
73.06546	4.1
77.12899	0.7
79.05498	1.7
81.07044	12.3
83.08611	1.9
85.02909	1.1
87.04467	7.2
89.06026	98.5
93.07040	1.3
95.08607	9.9
95.23957	0.8
105.06996	1.0
107.07051	4.2
109.10159	3.5
110.87714	0.7
111.11712	45.8
117.09119	2.0
119.04947	0.9
123.04465	0.9
127.03893	1.2
130.08611	2.5
130.54897	0.7
131.07005	1.9
133.08594	67.6
137.13235	4.6
139.03883	0.9
144.64336	0.7
145.10065	0.8
147.04376	3.4
151.09647	1.5
153.01791	1.1
155.14281	1.6
175.09633	1.1
177.11214	29.8
183.33485	0.7
195.12221	1.3
199.16859	3.5
202.79961	0.7
219.12363	0.8
221.13794	6.9
239.14879	3.5
243.19551	11.3
265.16522	1.5
283.17487	4.6
287.22076	0.9
309.19034	1.1
316.13715	0.9
316.83075	0.9
327.20044	3.7
371.22711	19.0
393.28189	1.9
437.31140	1.6
481.33682	41.9
499.34274	2.3
516.21167	0.8
516.37439	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.2
55.01850	1.8
55.05515	9.5
56.96544	1.9
57.03414	4.1
57.07069	2.4
57.82615	1.5
59.05004	3.1
67.05511	17.5
69.03408	9.7
69.07062	12.9
69.53043	3.2
69.53443	13.9
71.04980	4.8
72.71453	1.4
74.37822	1.6
79.05491	12.4
81.03396	4.6
81.06575	2.9
81.07051	47.1
83.04975	3.7
83.08588	7.4
85.02912	8.4
85.06517	3.0
91.05480	13.2
93.06472	3.1
93.07040	40.2
95.04969	7.9
95.08601	38.3
97.02860	4.8
97.06512	9.7
97.10144	3.3
99.08044	2.7
105.07034	27.6
107.08584	31.6
109.02835	1.8
109.06507	7.1
109.10151	26.2
111.04462	2.5
111.08044	7.2
117.06996	3.1
119.04904	3.6
119.08576	21.4
120.05293	1.9
121.06488	3.6
121.10131	26.2
123.04448	14.0
123.08045	5.8
123.11700	22.8
125.05971	2.6
125.09601	4.4
128.06277	2.1
129.06952	3.3
131.08557	11.5
133.06262	2.2
133.10135	28.4
135.08032	6.1
135.11678	15.6
137.02277	2.2
137.09599	9.8
139.03864	9.0
139.11177	13.1
142.07735	2.1
143.08528	8.5
145.10126	16.7
147.04395	14.6
147.08051	2.2
147.11681	18.4
148.04723	8.0
149.09608	16.5
149.13216	6.3
151.03891	1.7
151.11195	10.4
153.01831	9.7
153.09117	9.7
153.12744	2.8
155.08485	2.4
156.09399	2.4
157.10146	14.7
159.11664	12.8
160.08699	1.6
161.09607	5.8
161.13258	7.6
163.11180	7.7
163.14796	3.3
165.09052	3.3
165.12753	3.4
167.10654	5.3
169.10109	6.3
171.11641	11.4
173.09586	3.7
173.13300	8.9
173.14513	1.6
175.11188	5.3
175.14842	2.6
177.12766	5.0
179.10695	4.4
181.10062	1.8
183.11664	4.4
185.13264	8.6
187.11168	6.2
187.14781	8.8
189.12717	7.3
191.10645	2.3
191.14268	4.6
195.11624	1.7
197.13234	4.3
199.14807	6.5
201.12735	4.7
201.16368	3.4
202.06825	1.6
203.14281	3.1
205.12296	1.7
207.13831	1.7
209.13165	4.8
211.14890	3.2
213.12709	2.9
213.16396	4.5
215.14308	2.8
215.17877	4.0
217.15953	3.5
219.13800	3.5
223.14804	2.5
225.16429	10.6
227.14287	3.0
227.17902	6.0
231.13673	3.4
241.15846	2.7
243.17453	16.9
245.15250	1.6
255.21149	7.7
257.18936	3.6
259.16992	2.1
261.18457	6.8
265.19467	5.1
271.20520	5.0
273.07748	2.1
273.22171	5.2
275.20044	3.1
283.20520	30.2
289.21555	5.0
301.21603	93.6
307.22595	3.5
319.22647	100.0
337.23749	21.1
538.50366	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.05509	12.1
55.29789	1.3
57.03428	3.3
57.07082	1.7
65.03937	2.0
67.05501	27.7
69.07061	11.0
71.04974	1.9
71.60539	1.2
71.60999	1.4
74.66558	1.1
79.05489	26.9
81.07052	22.6
83.04979	2.4
83.08605	2.8
85.06518	1.9
91.05479	17.7
93.07035	27.4
95.04967	3.2
95.08593	15.8
97.06527	4.2
97.10168	4.7
105.07027	11.8
107.08589	20.1
109.06502	1.6
109.10156	6.9
115.05467	1.1
117.07018	7.0
119.08578	9.8
121.10127	9.5
123.08060	1.5
123.11750	1.8
129.07007	3.8
131.08551	12.7
133.10117	8.4
134.62555	1.2
135.11699	17.4
138.09953	1.0
141.07054	1.3
143.08577	5.9
145.10124	10.2
147.11710	4.6
149.13252	2.6
151.96886	1.3
155.08545	2.2
157.10150	5.7
159.11713	5.2
161.13286	1.9
163.11147	2.5
169.10170	2.5
171.11728	4.2
173.13303	5.6
181.12268	2.3
183.11748	2.4
185.13275	4.3
187.14845	2.7
195.11661	1.8
197.13156	1.5
199.14900	2.0
201.16455	1.6
211.14952	1.8
243.17921	1.1
261.22229	1.5
277.43350	1.3
297.21997	1.2
325.25565	1.5
382.78098	1.1
383.82471	1.2
405.31601	2.1
423.32590	7.5
441.33820	4.5
459.34720	1.8
497.36139	3.2
500.91077	1.1
515.37317	100.0
516.37549	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01866	1.5
55.05259	1.1
55.05508	13.9
57.03434	5.0
57.07060	1.3
59.04981	1.1
61.76815	0.9
65.03941	2.1
67.05500	43.0
69.03396	1.1
69.07060	10.9
71.01342	2.1
71.04981	2.7
71.33995	1.6
79.05488	36.8
81.03407	2.4
81.07051	29.1
83.04982	4.1
83.08604	4.6
85.06526	3.6
91.05473	23.8
93.07037	41.6
95.04972	5.6
95.08041	1.8
95.08601	20.5
97.06505	6.1
97.10147	4.3
97.93936	1.0
105.07035	13.4
107.08585	23.5
109.06527	2.4
109.10143	10.5
111.08071	1.5
117.07015	7.9
119.08575	13.8
121.10139	12.6
123.08071	1.8
123.11669	1.9
123.74329	0.9
129.06984	2.8
130.07745	1.1
131.08559	9.2
133.10109	8.9
135.11682	26.7
142.07837	1.3
143.08574	3.3
145.10110	11.8
147.11679	5.2
149.13229	2.5
153.12740	2.5
155.08478	1.4
157.10155	3.8
159.11696	6.3
161.13274	3.0
163.11232	2.6
169.10202	2.1
171.11739	2.9
173.13228	3.3
175.14798	1.1
181.10086	1.4
181.12254	4.6
183.11765	1.7
185.13254	2.6
187.14850	2.6
197.13252	1.6
199.14897	2.0
207.62172	0.9
211.14819	1.3
261.22119	2.2
301.21548	1.1
317.24850	1.2
405.31979	1.0
423.32449	4.6
441.33893	2.4
461.84238	1.1
471.35287	1.2
497.36380	2.7
515.37335	100.0
516.37537	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.7
53.03952	3.2
55.01867	1.4
55.05263	0.9
55.05510	12.5
57.03429	5.1
57.07058	1.8
65.03931	2.4
67.05501	39.1
69.03413	1.1
69.06715	1.0
69.07066	11.0
69.98339	0.5
70.03113	2.3
71.01345	1.4
71.04971	2.3
77.03865	0.6
79.05489	37.6
81.03419	2.9
81.07051	27.9
83.04984	5.1
83.08614	5.1
85.06531	1.8
91.04896	1.0
91.05473	20.3
93.07037	45.3
95.04948	5.7
95.08600	21.2
95.09057	0.4
97.06516	6.7
97.10171	6.2
99.04458	0.7
99.08057	1.1
105.04494	1.0
105.07025	12.1
107.04956	0.7
107.08587	24.4
109.06515	1.3
109.10146	7.9
111.08054	1.7
113.09640	0.5
117.07015	5.8
119.08575	12.7
119.09357	1.1
119.90369	0.6
121.10138	13.9
123.11678	1.8
125.09618	1.7
129.07002	2.1
130.07774	1.1
131.08556	7.6
133.10126	6.9
135.08101	1.1
135.11681	35.0
137.09604	1.0
139.11194	0.8
143.08574	2.5
145.10117	11.2
147.11687	3.4
149.13242	3.3
153.12720	2.3
155.08482	1.3
157.10129	2.7
159.11667	5.6
161.13249	2.4
163.11174	4.1
163.14792	1.2
165.12743	0.9
169.10185	1.3
171.11668	2.8
173.13222	4.3
175.14861	0.9
181.12228	5.5
183.11694	1.2
185.13269	2.3
187.14777	1.9
195.11703	1.2
197.13316	0.7
199.13219	1.3
199.14853	1.1
209.13258	0.7
219.17377	0.8
243.21161	0.9
261.22202	3.3
299.23621	0.8
313.25180	0.7
317.24509	0.8
405.31604	1.9
423.32419	4.1
441.33691	2.1
459.34763	1.1
488.62244	0.7
497.36273	2.6
515.37299	100.0
516.37659	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.0
55.05500	21.5
57.03416	11.4
57.07042	3.3
61.02915	6.2
65.03918	3.9
67.05499	85.5
69.03420	11.7
69.07057	21.6
70.44996	2.8
70.45337	8.8
71.04986	6.3
73.02875	5.3
79.05491	51.0
81.03427	16.0
81.07047	100.0
83.04953	8.1
83.08592	12.6
85.02900	15.7
85.06519	4.5
91.05471	44.2
93.07034	63.7
95.04967	14.3
95.08598	78.1
97.02878	7.8
97.06511	9.3
99.04475	4.3
99.08077	6.0
100.13513	2.8
105.07017	29.3
106.07307	3.8
107.08574	41.1
109.06501	13.6
109.10148	35.0
111.08045	5.2
115.05377	4.2
117.07019	16.4
119.08565	28.6
121.06554	3.5
121.10132	37.9
123.08066	6.7
123.11697	14.8
125.09619	3.5
127.03877	3.0
129.06946	5.4
131.08572	25.4
133.10124	23.2
135.08096	4.2
135.11667	24.7
137.09599	4.1
137.13254	6.6
143.08511	7.7
145.10103	20.1
147.07869	2.9
147.11656	18.2
149.09608	4.3
149.13222	20.7
151.07571	3.1
155.08481	3.6
157.10089	7.7
159.11685	21.6
161.09631	3.7
161.13220	10.9
163.14835	10.6
171.11670	5.2
173.13272	18.6
175.11143	4.1
175.14813	5.7
177.12779	4.0
181.72339	2.9
185.13170	5.0
187.14816	10.9
193.12289	4.2
195.13757	3.7
197.13055	3.3
201.16360	3.2
203.10794	2.9
203.14481	3.2
211.13216	6.8
212.13632	5.3
243.21074	16.6
261.22101	59.3
269.17490	8.7
270.17871	6.0
279.23123	4.4
285.16751	3.6
286.17236	5.7
301.21597	6.6
303.23245	6.6
335.25549	20.0
345.24115	8.5
353.26706	23.2
369.24069	9.0
377.26785	5.0
387.25174	5.1
405.26517	4.4
419.27701	7.6
443.27887	5.3
461.28683	5.5
480.30167	10.8
497.30823	14.0
515.25903	10.7
515.37183	3.6
538.55817	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	515.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.3
55.05499	16.3
56.16838	3.1
57.03439	8.5
57.07049	5.1
65.03908	4.9
67.05499	94.5
69.03424	10.8
69.07061	24.9
70.20448	3.5
70.39867	15.7
71.04974	6.6
74.19191	3.1
75.77721	3.5
79.05491	56.1
81.03394	4.1
81.07054	100.0
83.04995	6.1
83.08611	14.7
85.02885	8.4
85.06544	7.6
86.97814	3.1
91.05464	29.2
93.07033	80.3
95.04967	8.2
95.08594	73.4
97.06519	5.5
97.10164	5.3
99.08071	4.4
105.07005	35.9
107.08585	39.3
108.39645	3.4
109.06483	7.8
109.10147	42.5
117.07010	19.5
119.08599	25.1
121.10139	40.0
123.11678	20.3
131.08560	27.5
133.10130	26.6
135.11673	38.1
137.09615	6.4
137.13127	5.8
143.08517	9.3
145.10107	26.0
147.11690	17.9
149.09543	4.2
149.13217	26.3
151.14871	3.7
157.10115	5.3
159.11734	22.1
161.13251	14.8
161.29837	3.7
163.14836	9.7
169.10143	3.7
173.13252	21.2
175.14818	4.3
177.16353	9.2
179.16333	3.4
187.11024	4.6
187.14803	10.6
198.69785	3.2
229.93538	3.7
234.52826	3.6
243.21075	32.6
259.13245	3.9
261.22110	88.7
335.25745	12.7
353.26694	19.1
461.28885	5.5
479.29858	5.1
497.31265	6.3
515.37286	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	515.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.1
55.01854	2.2
55.05260	1.3
55.05509	17.2
55.33741	1.0
55.79760	1.0
57.03427	7.3
57.07062	4.0
61.02924	5.0
65.03932	3.6
67.05500	87.6
68.43298	1.1
69.03419	6.1
69.07060	16.6
69.36560	12.6
71.01349	1.3
71.04980	4.5
71.08585	1.5
73.02899	2.0
75.04469	2.4
79.05487	51.7
81.03401	3.8
81.07052	100.0
83.04974	4.6
83.08608	10.2
85.02888	7.3
85.06531	3.7
91.03944	2.7
91.05476	29.7
91.06010	2.3
93.07042	65.0
95.04953	8.8
95.08601	74.6
97.02902	4.0
97.06536	6.1
97.10178	3.9
98.21452	2.4
99.04372	1.6
99.08067	3.8
103.03945	1.4
105.07023	23.4
107.04934	2.8
107.08593	39.5
109.06489	6.0
109.10153	40.9
111.04469	1.7
111.08070	3.9
111.11695	2.1
113.09668	1.4
117.07012	11.7
119.08585	20.9
120.96048	1.0
121.06505	2.5
121.10141	40.6
123.08076	4.9
123.11701	22.2
125.09660	3.4
127.03965	1.5
128.06218	1.5
129.07001	2.8
131.08559	22.1
133.10120	16.5
135.08035	2.1
135.11674	32.1
137.09627	3.7
137.13271	7.7
139.11189	1.8
143.08549	4.2
145.10103	18.8
147.07999	2.3
147.11681	16.3
149.09633	2.8
149.13255	22.6
149.59711	1.0
151.11203	1.8
151.14801	3.1
157.10170	2.1
159.11681	16.6
161.09622	1.4
161.13246	11.7
163.11139	1.3
163.14822	12.4
165.12798	4.1
171.08118	1.3
171.11755	2.8
173.13239	18.5
175.11105	1.4
175.14822	4.7
177.12740	3.6
177.16359	6.1
179.14311	3.9
183.11703	1.7
185.13290	1.8
187.14822	11.8
191.14316	1.8
201.16400	5.1
205.15910	1.4
209.13348	1.4
215.17934	1.9
219.17365	1.5
233.22592	2.6
235.94299	1.3
243.21082	29.1
250.59166	1.2
259.20520	2.1
260.67654	1.1
261.22131	89.9
262.22391	1.2
263.23740	1.3
270.45010	1.1
279.23157	6.6
301.21671	1.6
303.23206	3.1
305.49542	1.1
317.24799	1.6
320.67270	1.2
335.25790	29.6
345.24197	2.8
350.81790	1.1
351.23468	1.2
353.26865	20.6
363.25516	1.4
369.24405	1.4
377.26984	1.8
387.25125	2.8
396.01480	1.3
405.26462	2.3
419.27814	5.6
443.28027	1.5
461.28955	3.5
497.31094	8.7
515.37262	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.5
53.03935	0.4
57.26899	0.3
61.04039	0.5
63.91383	0.3
65.03930	1.0
67.05493	1.2
68.99787	0.8
69.03415	0.7
71.60025	0.5
76.01746	0.3
77.03930	0.6
79.05486	0.5
81.03413	0.4
81.07063	0.7
83.04969	0.5
85.02885	0.5
85.06548	0.4
91.05486	0.8
93.03381	0.4
93.07026	0.4
95.04966	2.1
97.02872	0.7
105.03392	1.0
105.07016	0.6
107.04945	0.5
109.02863	0.7
109.06487	0.4
111.00809	0.4
111.04450	2.3
119.04917	1.0
121.06494	0.3
121.10099	0.6
123.04421	100.0
123.11682	1.0
124.04730	0.7
127.03883	1.3
133.10155	0.3
135.04398	0.8
135.08105	0.3
137.05933	1.2
139.03893	72.9
140.04388	0.4
143.03474	0.4
145.10089	0.4
147.04404	5.8
151.03894	7.7
153.01826	6.4
153.02997	0.7
155.07103	0.5
161.05945	0.3
163.03934	1.5
164.04655	0.3
165.05490	3.0
165.12732	0.4
171.02843	0.9
177.05498	0.4
181.05013	0.5
182.26448	0.4
183.06541	6.6
189.05455	0.7
193.04924	0.6
199.07390	0.3
204.23123	0.3
209.15367	0.3
211.06006	0.7
224.06779	0.7
225.07283	1.1
227.06845	0.3
242.07837	0.7
243.08167	0.7
255.06496	0.4
271.05853	0.3
272.06543	1.3
273.07568	15.3
291.08597	2.4
295.07144	0.7
312.09656	0.5
313.08185	0.5
315.07111	1.1
354.85220	0.3
372.12045	1.5
378.78659	0.3
400.11423	1.0
413.64008	0.3
511.29907	0.3
515.08014	0.5
515.22076	0.4
515.92517	0.3
531.10638	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.2
55.05515	12.5
57.03437	21.0
64.62114	1.9
67.05171	3.3
67.05501	49.0
69.03412	3.6
69.07064	15.0
71.04977	7.3
71.59732	2.1
71.60179	2.8
79.05489	33.6
81.03410	41.9
81.07053	70.9
82.38351	2.2
83.04974	15.3
83.08622	19.5
83.53544	2.0
83.80168	2.3
85.02906	10.8
85.06526	4.6
88.92572	2.1
91.05479	31.3
93.07034	45.5
95.04963	16.1
95.08612	18.2
97.06519	10.1
97.10177	2.8
99.08084	3.4
105.07030	19.1
107.04948	5.2
107.08594	22.3
109.06505	4.6
109.10133	8.5
111.08078	12.0
117.07005	6.6
119.08575	13.1
121.10147	21.3
125.09567	2.7
129.07021	7.6
131.08560	16.5
133.06439	2.9
133.10127	13.4
135.11671	5.5
137.64742	3.0
147.11664	9.8
149.09575	5.4
149.13242	25.4
157.10104	8.2
159.11690	11.9
163.11137	2.8
175.11137	7.8
177.12721	6.7
193.12231	33.0
195.13823	13.4
211.13261	55.8
216.46790	2.3
267.15912	17.6
269.17471	100.0
270.17792	3.4
285.16956	45.4
316.36426	2.5
335.83298	2.6
384.78809	2.6
461.29019	29.4
476.12833	2.4
479.30081	84.2
532.58539	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3056
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03938	2.9
55.01843	2.6
55.05507	9.5
57.03418	5.9
61.02928	11.1
65.03947	1.9
66.04754	2.0
67.05500	27.9
68.97127	1.9
69.03414	5.3
69.07063	9.3
69.46151	12.7
69.46558	3.5
71.04982	4.1
73.02897	4.1
76.60338	1.7
79.05486	26.1
81.03403	8.4
81.07050	35.9
83.04966	3.3
83.08602	4.5
85.02897	10.3
85.06502	2.4
91.03938	7.0
91.05473	27.9
93.07037	38.5
95.04959	6.2
95.08597	20.6
97.02863	8.5
97.06510	3.9
97.10153	4.9
98.21478	3.7
99.04448	2.4
105.07019	36.3
107.08588	22.9
109.10145	12.4
111.08077	3.1
117.06991	9.1
119.08585	23.8
121.06466	3.1
121.10126	22.7
123.11716	3.2
127.03898	4.9
128.06165	2.1
129.06972	6.6
129.35616	1.9
131.08562	13.2
133.10118	27.7
133.61485	1.8
135.11673	24.6
143.08546	6.8
145.06514	2.7
145.10109	18.1
147.11699	22.0
149.09578	3.5
149.13252	13.3
157.10143	6.6
159.11673	13.5
161.06039	2.1
161.09599	8.0
161.13228	17.3
163.11192	5.7
163.14813	2.8
167.07140	2.3
167.08603	2.2
169.10199	2.1
171.11650	7.7
173.09764	1.9
173.13271	4.8
175.14803	6.5
179.10695	2.5
185.13211	8.0
189.09074	2.5
189.12779	2.1
193.12379	2.0
195.13779	2.3
197.13358	2.0
199.14825	5.6
213.16409	2.6
231.20979	2.5
241.19498	18.5
259.18005	3.0
259.20575	38.7
269.17468	3.5
277.21588	5.4
289.21875	1.9
333.24155	8.1
349.23529	2.8
351.14478	3.2
351.25253	100.0
375.25256	3.4
385.23630	2.7
417.26370	2.6
441.26102	6.6
459.27341	4.5
477.28482	3.5
495.29413	6.3
513.28882	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	513.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38045	2.2
53.03952	4.5
55.01876	10.8
55.05262	2.5
55.05510	33.6
56.96543	2.1
57.03429	24.8
57.07063	3.6
59.04987	5.9
59.13175	1.6
65.03923	3.0
66.96796	1.6
67.05502	100.0
69.03419	5.0
69.07067	16.6
69.71641	1.8
71.04988	7.0
73.02911	7.6
75.99110	1.5
79.05491	23.9
81.03427	9.3
81.07053	61.7
83.04993	8.9
83.08624	19.2
85.02904	8.7
85.06539	6.7
87.04456	4.3
91.05489	21.0
91.14417	1.7
93.07046	28.0
95.04968	6.6
95.08598	18.5
97.06534	7.9
97.10156	18.3
98.07297	2.2
98.95911	2.0
99.08086	2.1
105.07037	8.9
107.08595	23.4
109.06510	2.3
109.10154	71.5
111.08073	6.9
116.04726	8.1
117.07017	6.5
119.08586	8.2
121.06426	2.3
121.10109	8.9
123.08059	2.8
125.09612	19.0
129.05478	36.4
131.08539	5.8
133.10149	9.7
135.11678	10.8
137.09608	6.4
143.07016	8.0
145.10156	3.2
147.11668	4.6
149.13280	9.2
154.94180	2.1
155.10616	3.8
157.08585	3.0
157.10121	2.0
159.11728	10.1
161.04919	1.9
163.11195	5.4
171.10155	2.7
172.95241	7.6
173.11745	24.5
177.12740	3.6
185.11739	6.2
190.96260	2.1
193.12219	3.0
195.13893	10.5
199.13237	3.2
211.13362	1.9
213.14822	2.1
227.12766	4.0
229.14346	57.9
240.17099	2.5
257.17529	4.0
257.26767	2.7
269.17511	18.7
285.16827	2.4
297.16949	5.0
301.16504	5.8
317.17831	4.6
335.18759	2.2
420.71777	2.0
423.27423	31.1
453.16980	5.6
471.18127	10.5
494.19681	2.3
495.28873	3.1
497.67520	2.1
512.50336	3.2
513.29407	24.7
513.36292	7.5
513.50452	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	513.3056
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03934	1.7
55.05513	8.5
57.03428	5.3
57.07070	2.1
61.02930	11.5
63.15105	1.2
64.34465	1.2
67.05502	19.0
69.03426	3.7
69.07070	6.8
71.12570	3.4
73.02902	5.4
79.05491	24.6
81.03390	1.5
81.07054	22.0
83.04990	2.0
83.08622	4.7
85.02910	9.5
85.06525	1.7
91.03949	4.9
91.05481	18.6
93.07040	35.7
95.05028	2.7
95.08608	17.2
97.02885	5.9
97.06526	1.5
97.10132	2.0
99.08098	2.0
105.07027	22.0
107.04927	1.7
107.08590	20.1
109.02841	1.3
109.06519	1.5
109.10183	9.3
117.07014	5.2
119.08576	21.1
121.10138	19.6
123.11721	1.4
129.06999	6.2
131.08551	12.6
133.10126	19.4
135.08067	1.6
135.11693	21.5
136.26479	1.2
140.83392	1.2
143.08543	4.3
145.10118	11.0
147.08055	1.5
147.11687	19.7
149.09662	2.3
149.13235	12.9
155.08527	1.6
157.10147	5.2
159.11682	10.6
161.13268	16.4
163.11151	3.0
163.14819	5.0
168.88962	1.4
171.11655	5.9
173.13217	7.4
175.14822	10.5
177.12700	2.0
183.11563	1.3
185.13174	6.9
187.14810	1.8
193.12180	1.3
199.14809	3.9
203.14252	2.0
217.19458	1.5
231.17400	1.7
231.21024	3.4
241.19489	17.0
259.20569	38.7
271.14795	1.3
277.21646	5.6
301.21637	1.6
333.24182	7.0
339.23056	1.6
349.23776	5.3
351.25281	100.0
367.22754	2.8
375.25116	2.3
385.23874	2.0
441.26242	4.1
459.27414	4.0
477.28336	3.3
495.29468	3.3
504.84778	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02109	0.9
53.03941	1.0
54.56534	0.7
67.05494	2.1
69.03423	2.4
70.06576	2.5
70.57518	2.5
79.01837	1.7
79.05495	6.7
81.03417	4.2
81.07040	1.7
85.02890	2.5
91.05467	5.3
93.07040	11.6
95.04959	3.3
95.08606	1.3
97.02878	2.5
97.06549	1.1
103.05479	1.5
105.07008	1.1
107.04950	1.7
109.02876	1.9
109.07619	0.8
121.06500	18.1
123.04418	2.9
123.08073	5.2
125.02383	2.0
126.10273	3.7
127.03892	2.6
139.07532	15.3
143.03384	3.6
147.04469	1.3
149.05991	3.9
153.01822	45.8
154.72870	0.9
167.07033	100.0
168.07344	1.0
171.02907	3.7
185.08083	1.6
191.07057	1.8
192.07196	0.8
193.13846	0.8
199.09648	46.2
208.09752	2.2
209.10045	2.0
271.35928	0.8
297.06003	4.2
303.01239	1.2
315.07001	3.7
343.13153	0.9
513.18597	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	512.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
55.01871	6.7
57.03437	13.3
59.04996	1.3
61.02922	11.4
63.75321	0.6
69.03423	26.7
70.06573	1.0
71.01346	4.0
71.04984	1.4
71.22790	0.7
71.60719	1.1
72.04480	1.0
73.02911	64.9
77.03915	0.8
79.05471	0.8
81.03423	3.8
81.07025	1.7
85.02898	60.0
87.04470	3.3
91.03938	2.1
91.05470	1.4
95.04955	1.6
95.08578	1.1
96.04453	1.2
97.02887	46.0
99.04452	3.6
103.03926	2.9
103.05426	1.5
105.07017	1.1
107.08548	1.1
109.02872	5.3
109.06523	0.6
111.04436	1.9
115.03916	27.2
115.05453	3.1
115.35507	0.6
116.06223	1.3
119.04873	0.9
120.98167	0.6
123.04433	8.8
123.96559	0.7
124.04800	3.0
125.02373	0.9
127.03907	22.2
128.06200	3.3
129.06970	2.3
130.07785	1.8
131.04924	0.8
132.05673	1.0
132.06561	1.1
132.33800	0.6
133.04953	28.1
133.10133	0.9
137.05948	1.2
139.03891	6.2
140.04196	2.5
141.06900	0.6
142.07765	1.3
144.06598	1.2
145.04950	27.5
145.06371	1.4
146.07266	1.0
147.04395	4.3
150.07629	4.4
151.03911	1.1
153.01794	1.1
153.06973	5.1
154.07736	1.6
155.08557	7.7
157.04933	0.7
162.07558	0.8
163.06027	8.8
163.07422	1.0
165.06972	5.2
168.05701	5.9
169.10011	0.9
171.08043	4.5
180.08728	1.9
181.04987	1.2
181.06503	1.1
182.07277	2.3
183.08041	100.0
185.09631	3.9
186.06702	1.0
193.04973	1.9
195.08040	2.9
197.09599	16.5
199.06035	1.2
201.09134	8.4
207.08067	2.1
209.09651	4.0
213.09126	1.3
217.07027	1.3
219.08087	0.8
221.09599	7.7
223.05817	5.7
223.07185	1.3
223.07845	1.4
223.11119	1.8
224.10799	0.8
225.09076	12.3
233.09560	1.5
235.11093	1.1
237.09077	8.8
239.10703	0.7
241.06836	6.7
245.09590	0.9
249.09042	5.0
251.10677	2.7
259.08167	6.9
261.09140	1.8
263.10641	2.4
267.10181	4.0
271.13327	1.0
273.07535	1.6
274.07965	0.7
277.09171	2.6
279.10123	8.0
281.21082	0.8
291.10107	2.4
295.10318	2.3
297.11194	11.0
309.11157	6.1
315.12271	2.1
327.12302	7.7
397.49460	0.7
413.97470	0.7
512.28723	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21287	0.2
55.05514	0.2
67.05498	0.3
69.07053	0.5
70.27818	0.9
71.04979	0.2
81.07062	0.6
84.44020	0.2
93.07043	0.3
95.08591	0.3
97.10158	0.3
101.57491	0.2
107.08593	0.3
109.10141	0.4
111.00569	0.3
119.08593	1.1
133.10135	0.3
153.05212	0.5
159.11746	0.3
175.11281	0.2
189.63187	0.2
225.62558	0.3
257.11615	1.2
297.38223	0.2
314.27756	0.4
346.23721	0.3
427.26218	0.3
431.33136	0.3
449.30222	0.4
475.31821	9.6
493.32730	3.0
511.33929	100.0
512.34192	2.0
516.34308	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	10.9
53.38587	3.0
54.90262	2.6
55.01858	8.4
55.05308	2.4
55.05509	32.1
57.03434	27.5
57.07074	4.7
61.02919	8.1
65.03922	6.4
67.05496	86.2
69.03130	3.0
69.03425	36.5
69.07073	27.8
69.33985	27.4
69.34394	4.7
71.04980	20.4
73.02911	6.4
79.05484	64.8
81.03413	68.9
81.07051	100.0
83.04964	23.8
83.08608	21.5
85.02901	40.3
85.06530	9.9
87.04448	2.8
91.03947	3.2
91.05468	64.5
91.61119	2.9
93.07027	61.5
94.77914	3.1
95.04963	25.3
95.08591	50.0
97.02885	36.6
97.06519	13.5
97.10126	8.1
99.04451	13.8
99.08076	4.2
101.02352	3.8
101.06024	2.9
103.03918	4.2
105.07021	60.0
107.04941	10.5
107.08583	38.7
109.02853	10.7
109.06500	11.3
109.10142	31.4
111.04413	6.7
111.08059	10.4
117.07018	20.2
119.07800	3.7
119.08575	45.4
121.06508	6.6
121.10133	31.2
123.04415	7.8
123.08041	7.8
123.11690	12.6
125.09614	7.1
127.03889	20.5
129.05472	6.0
129.07002	10.6
130.07814	3.6
131.08546	34.7
133.06482	4.9
133.10124	33.0
135.08064	11.2
135.11711	17.4
137.05959	5.5
137.09593	7.4
143.08528	10.7
145.04976	3.6
145.06480	5.7
145.10135	23.7
147.08018	8.4
147.11656	26.6
149.09583	11.9
149.13245	10.0
151.07526	4.0
151.11128	5.8
155.08501	6.1
157.10095	16.1
159.11676	20.9
161.09599	5.3
161.13228	4.8
163.11162	11.5
165.06987	3.5
165.09128	2.8
165.12743	5.5
166.89449	2.7
167.06996	9.1
169.10110	4.7
171.11661	8.2
173.04482	15.0
173.05760	3.5
173.13234	9.8
175.11160	8.8
177.09140	3.0
177.12738	6.4
183.11635	4.8
183.13730	3.3
185.13246	5.0
187.14827	4.5
193.12178	16.9
195.13750	12.7
211.13234	23.1
215.14168	3.5
227.12666	3.9
229.14319	3.2
229.19574	4.3
239.17955	6.2
242.15611	3.3
247.20285	3.0
257.19046	15.8
267.15894	5.4
269.17438	8.0
275.20016	47.7
285.17081	6.1
293.21057	5.5
303.15851	3.8
331.22467	6.3
339.17972	5.0
349.19742	4.9
349.23657	51.8
349.27570	5.4
401.23315	3.6
409.26147	3.4
413.21579	19.6
439.26773	10.6
467.29910	4.0
493.27798	11.2
511.28369	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.4
53.93891	2.3
55.01869	15.0
55.05511	16.9
55.51518	2.0
57.03431	9.4
61.02924	29.6
67.05500	32.3
69.03433	15.4
69.07072	24.6
71.05006	2.9
71.60545	3.0
71.87199	2.3
73.02908	10.6
79.05486	27.9
81.03410	20.0
81.07056	55.1
83.04964	9.9
83.08620	9.2
85.02898	26.2
85.06514	3.0
91.03946	14.9
91.05474	51.4
93.07037	33.6
95.01322	8.3
95.04990	11.3
95.08605	27.9
97.02883	24.8
97.06525	19.0
97.10145	3.5
99.04450	6.1
101.02389	6.3
103.03938	2.6
105.07027	61.2
107.04950	15.8
107.08601	20.8
109.02884	7.4
109.06521	5.3
109.10159	8.7
111.04440	2.1
111.08086	3.3
117.07013	12.4
119.08577	32.8
121.06516	3.1
121.10146	9.3
123.04461	4.5
123.08048	7.6
123.11724	4.4
125.09644	3.8
127.03924	12.3
128.06238	2.4
129.05487	2.5
129.07004	4.3
131.08572	20.3
133.10132	36.6
135.08051	4.6
135.11690	7.2
139.07553	3.6
143.08557	4.7
145.04961	4.4
145.06367	1.9
145.10144	17.3
147.11684	15.5
149.09622	5.1
149.13202	5.3
151.11119	3.1
157.08575	2.7
157.10085	4.7
159.11681	11.2
161.13242	7.4
163.11154	3.6
165.09149	2.3
171.11684	4.7
173.13184	4.4
177.12778	5.3
179.14313	16.6
183.11728	3.9
184.26030	2.6
187.11110	2.7
191.06999	2.7
213.86655	2.3
239.17920	3.7
247.16911	2.1
247.20294	2.1
257.18976	6.2
265.60461	2.4
265.64407	1.9
271.18994	2.1
275.20056	100.0
276.20566	2.5
293.21146	3.6
349.23730	48.2
377.23056	2.5
438.58936	2.5
493.27908	2.9
511.27695	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	511.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.5
53.90228	1.8
54.36831	2.0
55.01870	39.7
55.05262	3.7
55.05508	54.7
57.03434	24.4
57.07072	12.4
59.04983	3.5
65.03930	5.1
67.05501	88.2
69.03426	13.7
69.07063	24.1
70.91933	7.3
71.04983	12.5
73.02917	6.0
79.05489	72.2
80.06264	2.2
81.03412	100.0
81.07049	73.4
82.04194	12.5
83.04977	46.1
83.08616	43.6
85.02898	38.2
85.06539	6.1
91.05476	86.7
93.07040	56.6
94.07848	3.2
95.04962	60.3
95.05563	4.3
95.08604	29.6
96.05771	2.4
97.02888	7.7
97.06515	20.2
97.10161	21.8
98.07320	13.5
99.08122	2.9
103.05434	2.2
105.07024	52.3
107.04947	17.8
107.08577	27.8
108.05724	2.7
109.06506	14.4
109.10156	27.3
110.07331	2.1
111.04422	8.3
111.08068	23.1
113.06013	6.1
115.03845	2.3
115.05416	4.5
116.04720	3.7
117.06986	10.1
119.04934	2.5
119.08572	43.7
121.06525	8.8
121.10141	24.0
123.04411	6.2
123.08034	11.3
123.11720	2.4
125.05997	2.3
125.09613	21.9
127.07534	2.5
127.11187	8.1
128.06242	4.2
129.05482	5.0
129.07014	21.2
131.04860	2.0
131.08554	24.7
133.06459	6.0
133.10124	26.3
135.08061	6.9
135.11687	8.1
137.05948	4.5
137.09639	7.2
139.03897	2.5
142.07796	5.7
145.06506	2.4
145.10121	7.3
147.08069	6.9
147.11662	30.0
149.09613	15.9
153.01772	2.4
153.12732	3.6
157.08760	3.1
157.10086	23.8
158.05753	11.1
163.11200	9.0
164.11951	5.6
165.12798	6.4
167.07063	3.7
169.10028	2.3
171.06508	14.6
173.09627	2.8
173.11810	2.7
175.11174	24.6
185.08099	6.6
185.13181	3.3
189.11252	4.9
190.04697	3.0
191.10559	3.2
193.12225	76.6
199.09605	7.6
199.13237	12.3
209.11688	16.1
211.13268	92.8
211.15256	4.7
219.13963	2.6
227.12816	13.4
234.28008	2.4
242.15224	4.5
249.14856	5.6
255.15926	8.7
265.14282	2.2
267.15915	12.2
269.17703	3.1
283.15430	12.3
283.18991	3.8
285.16953	17.8
298.17819	3.8
301.16382	3.9
311.18695	3.3
311.22244	6.2
326.24548	2.7
339.18033	11.4
339.21729	4.7
367.21182	8.7
381.22446	2.9
382.27277	6.5
383.22180	2.1
391.19839	2.5
395.24084	2.7
409.25803	9.8
421.25946	5.8
439.26883	21.8
475.26987	9.1
476.27771	3.3
493.28003	17.1
493.34964	3.2
494.28714	6.4
511.29025	94.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
55.05495	3.2
56.23757	0.5
57.03420	1.0
57.07074	2.6
57.22746	0.5
61.02911	1.2
61.34130	0.5
65.61673	0.5
67.05498	1.4
69.03426	4.7
70.06544	0.6
70.65297	1.2
73.02913	7.7
81.03443	0.8
81.07038	2.0
83.04967	2.4
85.02901	3.9
85.06563	2.4
87.52144	0.5
91.05480	0.7
93.07043	3.1
95.04941	0.5
95.08603	4.4
97.02899	6.6
97.06509	1.4
105.07014	0.7
107.08595	5.8
109.02856	0.5
109.06502	1.2
109.10135	0.9
111.04435	33.6
111.08060	1.8
115.03915	4.1
117.07025	0.6
121.06518	0.6
121.10149	0.7
123.08095	0.5
125.05984	10.8
127.03906	1.2
127.07539	1.2
133.04944	0.8
135.08034	4.1
135.11678	9.5
137.06065	0.6
137.13237	0.5
139.07509	2.0
145.04959	0.9
145.10114	6.2
146.12326	0.6
147.04407	1.0
153.01833	1.1
153.12714	2.8
163.11166	10.4
181.06432	1.4
181.12222	100.0
182.12585	1.1
199.13281	42.5
200.13585	0.8
225.22768	0.5
241.06911	0.6
259.08240	0.7
295.10342	0.8
331.04483	1.1
391.45581	0.5
395.91446	0.5
512.93024	0.6
520.71423	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3548
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
52.66511	0.4
55.05495	0.8
56.05028	1.0
56.11398	0.4
57.07074	3.9
58.06341	0.4
58.06596	1.5
60.08159	15.8
67.05488	1.1
69.07066	0.5
69.69746	0.8
69.70139	2.3
71.07371	5.5
71.08630	2.8
81.07038	1.3
83.08604	0.8
83.91959	0.4
85.10165	1.6
86.09698	47.6
87.73907	0.4
93.07056	0.4
95.08593	2.5
97.10157	0.5
98.21639	0.4
98.98467	2.9
104.10735	100.0
109.10175	0.7
123.11710	0.4
124.99993	25.3
143.01019	0.8
163.01555	0.5
184.07324	98.8
239.23604	1.0
258.11066	0.9
302.40576	0.4
309.09113	0.5
313.27322	3.4
327.28915	1.4
492.34500	9.9
510.35550	44.4
511.35562	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81174	0.8
53.03937	2.6
55.01858	2.4
55.05513	1.4
57.03437	4.4
57.07064	1.5
58.40000	0.7
59.05002	11.4
60.04515	1.5
61.02928	7.7
67.05487	5.7
69.03429	17.1
69.07053	1.9
70.06583	1.5
70.76056	0.7
71.04991	19.0
71.60151	0.8
73.02913	2.6
79.05489	7.8
81.03418	8.2
81.07057	30.2
81.51835	0.7
83.04977	1.0
83.08608	0.9
85.02904	87.2
85.06558	1.0
86.03236	0.9
87.04453	1.6
88.31852	0.8
91.03948	4.6
91.05469	5.6
93.07052	14.7
95.04971	4.1
95.08617	3.7
97.02889	25.9
99.04456	4.1
103.03947	0.8
105.07028	5.6
107.04939	0.8
107.08587	14.0
109.02882	9.0
109.06513	11.4
109.10149	23.6
111.08068	8.9
115.03903	1.1
119.08569	1.4
121.10102	2.3
123.04435	1.2
123.08069	2.9
123.11705	32.9
127.03912	20.8
131.08525	2.1
133.10127	18.8
135.11703	1.3
137.05989	1.3
140.03381	1.0
145.04959	29.3
145.10068	0.9
151.11180	100.0
152.11513	1.6
153.01791	4.5
153.12733	3.1
163.06030	10.1
169.12241	33.7
177.05569	0.8
181.12262	0.9
181.17451	0.8
207.10112	1.7
235.13232	0.8
271.07944	0.9
277.14316	1.2
283.12219	0.7
287.05493	2.0
295.15323	4.0
313.16357	8.1
325.11243	6.7
326.06708	1.1
331.17480	17.2
348.27374	0.9
361.02328	1.6
379.03009	1.0
510.32852	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71819	4.3
55.05505	34.1
55.18066	3.8
57.07067	15.8
67.05505	35.2
69.07066	62.6
71.04351	9.4
71.04698	4.0
71.04929	3.4
71.08631	8.8
72.98940	3.9
79.05490	13.9
81.07056	100.0
83.08624	39.4
85.02886	9.3
85.06557	19.0
85.10172	7.2
91.05470	6.5
93.07036	19.1
95.08602	94.1
97.02890	4.7
97.06538	4.1
97.10152	26.3
99.08097	14.1
107.08582	17.3
107.93901	3.5
109.10139	63.9
111.11723	26.6
115.53851	3.7
121.10146	12.1
123.04415	6.0
123.11697	34.9
125.09668	3.8
125.13258	11.8
135.11684	19.1
137.13257	15.4
149.13261	17.7
151.14781	10.7
162.62376	4.4
163.14847	11.8
165.16341	5.5
165.19421	4.1
177.16356	5.9
179.17978	8.4
205.19505	4.5
219.21202	6.3
263.27347	9.3
275.27359	16.2
281.28369	16.6
293.28375	68.4
299.29477	27.7
311.29388	25.2
329.30515	10.7
500.50992	4.2
509.23633	7.5
509.27026	11.9
509.34048	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	509.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30415	1.8
53.03939	2.8
55.01861	8.5
55.05508	40.5
57.03434	4.8
57.06873	1.8
57.07078	20.2
65.03905	1.8
67.05500	63.1
69.03419	5.5
69.07065	50.7
69.07379	1.1
71.01335	2.9
71.04986	5.9
71.08622	14.4
73.02908	5.8
79.05491	26.1
81.03426	12.6
81.07053	100.0
83.01350	4.2
83.04996	11.7
83.08613	57.2
85.02897	10.1
85.06525	5.3
85.10185	6.5
89.06017	20.1
91.05473	17.1
93.07044	30.8
95.04964	7.8
95.08601	92.7
97.02886	6.4
97.06522	7.4
97.10163	39.0
97.97277	2.0
98.20782	4.6
99.04503	3.3
99.08081	3.0
101.06033	4.6
105.07048	11.0
107.04955	6.0
107.08585	24.6
109.02882	4.1
109.06517	2.9
109.10152	65.6
111.04430	4.9
111.08085	5.2
111.11718	19.8
113.09628	2.6
117.07009	6.3
119.08561	11.9
121.06503	3.5
121.10146	19.7
123.04414	8.4
123.08083	4.0
123.11693	38.9
125.09667	5.4
125.13266	7.9
127.11182	2.7
131.08580	5.2
133.08606	11.4
133.10133	9.2
135.11678	27.1
137.09610	3.0
137.13249	16.0
139.03912	3.9
139.07616	2.4
145.04955	2.6
145.10138	8.8
147.04373	3.5
147.11678	4.9
149.13237	15.5
151.03905	5.5
151.11258	2.4
151.14812	5.1
153.01823	6.5
159.13821	2.1
163.03893	4.4
163.11189	6.5
163.14819	7.8
165.16394	5.6
177.16386	4.5
179.17917	6.2
187.70306	2.0
191.17937	2.9
193.19452	3.1
198.19363	2.0
205.08632	5.4
205.19510	4.4
209.11755	4.8
211.13339	3.2
227.12758	3.6
227.20172	1.9
263.27264	6.6
275.27316	16.4
283.15311	5.5
293.28403	8.0
299.29434	54.7
303.08459	2.1
311.29340	11.1
329.30502	4.4
337.16464	2.4
426.78537	2.0
455.30817	2.5
473.32953	1.9
509.26917	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	509.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33035	2.6
55.05504	32.4
57.07068	18.7
59.04961	3.3
63.26179	2.5
65.85930	2.5
67.05499	37.8
69.03424	3.2
69.07061	51.4
71.04980	3.4
71.08624	10.9
71.59734	3.2
76.99902	2.6
79.05496	12.7
81.03404	3.1
81.07053	90.8
83.04975	5.9
83.08614	35.5
85.02888	6.6
85.06527	18.3
85.10164	6.8
91.05472	10.2
93.07030	29.3
95.04946	6.0
95.08598	100.0
97.02891	3.7
97.06471	2.7
97.10163	31.2
98.81734	2.9
99.08072	14.3
100.11238	7.3
105.07030	6.4
107.04994	2.8
107.08567	20.9
108.08088	4.6
109.06448	3.8
109.10148	65.8
111.11719	21.4
113.09619	5.5
119.08553	6.3
121.10147	14.9
123.04394	5.3
123.11702	34.0
125.09623	3.1
125.13271	6.7
135.11707	19.0
137.13243	18.4
145.10176	2.8
147.04359	3.2
149.13258	22.3
151.14827	13.9
163.14778	7.7
165.16425	5.5
171.13753	3.0
177.16351	5.3
179.17964	8.1
182.15468	2.9
191.17947	3.0
193.19557	2.9
205.08638	3.2
205.19423	5.9
215.01221	3.0
219.21040	3.8
223.20511	3.7
255.23085	5.2
263.27304	7.8
275.27362	16.1
281.28314	10.5
293.28357	75.7
299.29443	22.7
311.29352	19.0
329.30386	15.6
336.38504	2.6
469.98618	2.5
478.20093	3.4
509.27435	5.8
509.40912	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	509.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47634	0.5
55.05506	1.5
57.03414	0.6
67.05499	4.0
69.03425	1.0
69.07069	0.8
71.04991	1.5
71.60236	0.8
72.08154	1.7
79.05494	2.1
79.06441	0.4
81.03413	1.0
81.07058	3.9
83.04987	0.9
85.02908	1.8
91.05479	3.3
93.07049	3.5
95.04938	1.1
95.08614	2.9
105.07030	2.3
106.58745	0.5
107.04909	0.7
107.08581	3.0
109.06493	0.6
109.10152	1.8
111.04424	0.6
117.07030	0.6
119.08576	1.9
120.08099	2.2
121.06478	0.6
121.10192	1.3
123.04477	0.5
123.11752	0.7
126.22591	0.5
131.08554	0.7
133.10141	1.5
135.11729	1.2
136.07526	1.2
142.46510	0.5
145.10057	1.0
159.11717	0.9
161.13312	0.6
163.11221	1.0
201.03696	0.8
203.05266	5.4
219.15108	0.7
227.12790	0.6
235.16614	0.7
247.14377	0.8
260.39844	0.6
265.77255	0.5
283.15039	0.6
329.24506	13.5
331.26016	2.9
347.25751	4.8
465.28726	0.7
509.30881	100.0
510.31580	2.6
511.94434	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03186	3.8
53.03939	7.3
55.01868	17.1
55.05257	4.5
55.05508	51.7
57.03426	13.7
57.07065	5.1
59.04984	4.0
61.02923	3.8
65.03926	5.2
67.05502	71.6
67.62858	3.0
68.99738	2.8
69.03420	14.1
69.07069	38.0
70.07394	3.0
70.79125	8.7
71.04995	13.9
71.08605	4.7
75.05092	3.1
75.07362	2.6
79.05486	77.4
81.03413	34.9
81.07051	100.0
83.04987	20.9
83.08615	39.2
85.02895	11.0
85.06541	14.7
91.05478	51.5
93.07035	60.8
95.04967	42.9
95.08602	65.9
97.02900	6.4
97.06525	11.6
97.10166	33.2
99.04462	4.0
99.08073	5.1
105.07017	43.3
107.04955	34.3
107.08588	46.5
109.06503	32.2
109.10155	41.6
109.64110	2.9
111.04416	6.6
111.08051	8.6
111.11717	7.0
115.05382	3.2
117.07034	17.2
118.82802	3.0
119.04956	5.4
119.08582	29.7
121.06531	19.9
121.10146	30.4
123.04420	26.9
123.08058	12.3
123.11699	18.4
125.09622	35.0
127.03880	4.7
129.06998	15.1
131.08582	26.0
133.06519	8.6
133.10138	23.2
134.06996	3.0
135.04442	4.0
135.08028	12.0
135.11705	13.6
137.05962	6.3
137.09665	7.1
137.13255	5.8
139.03876	7.2
141.06960	5.3
143.08574	8.9
143.10648	4.1
145.06526	17.7
145.10133	17.9
147.04396	12.6
147.08011	9.6
147.11656	12.9
149.09648	11.3
149.13255	10.5
151.03879	15.9
151.11169	4.6
151.14671	3.6
153.01840	18.1
153.09135	6.1
157.10101	9.6
159.08122	4.2
159.11659	7.5
161.06009	3.5
161.09662	3.7
161.13255	4.7
163.07487	4.5
163.11183	15.2
163.14719	3.0
165.05522	5.1
167.10658	10.0
169.10110	6.2
171.10258	3.9
171.11618	4.5
173.06029	5.6
173.09567	4.9
173.13203	5.2
175.11232	7.3
181.12134	3.5
183.11728	3.6
187.14702	4.1
189.11201	17.4
191.10680	5.0
193.12270	13.5
195.11771	5.4
197.06125	3.8
197.13205	3.0
199.13303	13.2
205.08557	4.3
209.11635	6.6
211.13239	7.1
215.14297	5.7
219.13879	16.5
223.13205	4.1
227.12675	19.1
231.13715	3.7
233.15335	15.5
249.14861	5.9
267.15839	9.8
273.14603	5.0
273.17062	9.0
275.27417	4.2
293.17435	14.2
293.28375	10.2
303.08569	28.9
311.29758	6.7
329.24704	9.8
329.30441	13.8
339.23337	4.2
347.25684	5.3
347.31494	3.7
349.21701	12.3
357.24625	3.5
367.22552	35.1
385.23724	34.4
387.12024	3.5
403.24557	11.7
441.26245	10.7
459.27338	56.8
477.28467	45.8
491.30695	19.9
509.26547	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08379	0.9
53.03947	2.0
55.01857	1.2
59.83785	0.8
65.03920	1.1
67.05494	2.1
69.03423	1.2
71.09976	1.3
71.10293	1.7
79.05496	4.6
81.07040	2.8
83.08530	0.9
85.02895	1.1
91.05477	15.4
93.07025	3.1
94.04172	2.9
95.04980	3.7
95.08578	1.8
97.02896	0.9
103.05453	4.1
105.07034	6.4
107.04959	6.6
107.08579	3.0
109.02833	1.0
109.06495	2.3
115.05466	4.9
116.06289	1.1
117.07005	4.2
119.04916	7.1
119.08574	1.8
121.06484	7.7
121.10187	1.0
122.03651	8.4
123.04449	2.7
123.08064	3.8
125.05975	1.5
127.83965	0.9
128.06216	1.8
129.06990	8.6
131.04906	6.3
131.08560	2.8
132.05666	1.2
133.06485	3.2
133.10081	0.9
135.04395	1.2
135.08063	3.3
136.05167	1.9
137.05968	100.0
138.06319	1.1
139.03856	1.7
143.04918	2.9
143.15155	1.0
145.06482	4.2
146.03658	1.5
146.07234	1.8
147.04367	4.4
147.08044	3.6
148.05145	2.3
149.05968	5.1
149.09612	2.3
150.06766	1.6
151.03908	4.9
151.07533	42.0
153.01857	6.3
153.05495	1.3
157.06438	5.3
159.08011	1.7
160.05078	1.9
161.05971	52.8
161.09575	9.1
163.03964	1.5
163.07555	9.6
165.05515	1.9
165.07010	1.6
165.09091	4.9
167.07051	5.4
167.08478	1.4
169.06419	1.0
174.06760	4.0
175.07541	25.8
177.05508	1.9
177.06921	1.6
177.09103	5.9
178.07814	1.6
179.07030	1.8
179.08427	1.9
185.06073	0.9
187.07596	3.2
189.09100	32.0
190.07785	1.0
191.07030	1.8
191.08578	2.3
191.10620	0.9
193.06496	1.9
193.08485	1.1
194.07294	1.2
195.08112	3.1
195.10143	23.9
199.07648	1.1
202.07700	1.1
203.06813	1.0
205.06476	3.5
205.08589	2.7
206.07214	2.0
207.08060	2.6
207.10127	25.4
208.08864	1.8
209.05919	1.2
210.06741	1.7
211.07568	2.7
213.09157	1.3
218.07321	1.5
219.08078	3.2
220.08818	1.8
221.05980	2.8
221.09644	1.5
222.06717	1.2
223.07579	2.3
224.00800	0.8
224.08264	1.6
225.09091	3.8
227.06911	1.8
227.10513	1.1
231.08061	1.1
233.06000	1.9
234.06779	3.6
235.07506	3.5
236.08319	1.7
237.09100	5.9
238.06183	1.6
239.07059	2.4
239.10719	2.0
240.07906	1.2
241.08597	1.7
245.05898	1.3
245.09596	2.2
247.07516	3.1
248.08331	1.6
249.09084	8.3
250.06230	1.3
251.07004	2.7
251.10664	3.8
252.07791	1.9
253.08530	5.9
255.06555	4.0
255.10107	1.6
261.09253	1.5
262.06192	1.7
263.07126	1.2
263.10605	1.8
264.07767	2.1
265.08606	13.9
266.09332	2.2
267.06360	1.0
267.10175	3.5
269.08105	2.5
270.08759	2.0
271.09790	1.1
273.11414	1.2
277.08597	10.3
277.11832	1.8
278.09256	1.3
279.10159	3.6
280.10989	1.7
281.08124	2.8
283.09512	5.4
284.10580	1.7
285.11148	9.7
291.10178	3.4
293.08307	1.7
293.11667	2.0
295.09616	3.2
296.10461	1.8
297.11188	19.8
298.11960	1.3
299.12839	7.2
305.11734	3.8
308.10406	1.7
309.11029	5.5
310.11850	1.1
311.12772	20.1
313.10638	2.0
317.10901	1.5
317.13855	3.9
321.11359	1.1
323.12723	6.0
325.14594	1.3
329.13821	2.5
331.15384	1.0
335.12823	1.2
337.14371	18.2
341.13916	2.9
343.15408	2.9
347.18680	1.1
349.14276	4.1
355.15369	19.4
367.15436	10.4
385.16531	1.1
403.15411	1.3
407.77609	1.0
433.16470	1.3
435.17593	1.2
461.19577	2.9
465.18835	1.6
479.20386	6.2
491.20557	3.5
509.21207	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	509.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
67.05502	1.4
69.03410	1.4
69.26607	4.1
69.27036	7.6
70.06578	1.3
79.05481	5.8
81.07038	2.5
85.02908	1.7
91.05465	16.0
93.07030	3.7
94.04190	2.0
95.04951	4.2
95.08615	1.9
103.05458	4.0
105.07014	6.8
107.04955	6.8
107.08562	2.3
108.05736	1.3
109.06499	3.8
115.05424	4.6
117.07011	3.9
119.04966	7.6
119.08554	1.5
121.06513	6.1
121.10079	1.3
122.03629	6.8
123.04452	2.7
123.08053	4.0
125.06084	1.0
128.06219	2.0
129.07008	8.5
131.04903	4.2
131.08549	3.1
133.06444	2.6
133.10126	1.3
135.04466	1.5
135.08046	3.4
137.05966	100.0
143.04892	4.3
145.06473	3.8
146.03658	1.2
146.07274	2.5
147.04384	5.0
147.08028	3.4
147.11646	1.2
148.05190	1.7
149.05968	6.4
149.09584	2.3
150.06744	1.2
151.03911	4.1
151.07529	41.9
153.01811	5.5
157.06491	5.6
159.08035	1.9
160.05191	2.8
161.05971	51.4
161.09566	10.5
162.06702	1.2
163.03937	1.3
163.07526	9.1
165.05542	1.7
165.06969	2.7
165.09105	5.7
166.07755	1.2
167.07051	4.0
174.06761	4.4
175.07529	23.1
177.05450	2.3
177.09032	6.2
179.06981	1.3
179.08522	1.6
181.06487	1.8
187.07544	2.4
189.09099	31.2
190.07877	1.1
193.06593	1.5
193.32089	1.2
194.07278	1.4
195.08276	2.2
195.10126	20.8
199.07628	1.3
205.06471	3.1
205.08434	2.2
206.07196	1.1
207.08118	2.8
207.10126	24.7
208.08893	1.4
209.05975	1.3
209.09633	1.5
209.11497	1.2
211.07576	1.9
213.09077	1.7
219.08017	2.7
219.10052	1.5
221.05911	2.2
222.06854	2.4
223.07578	2.0
225.09087	3.9
227.07002	2.3
233.06041	2.2
234.06705	3.4
235.07542	3.7
235.11261	1.1
237.09071	4.8
238.06273	1.4
239.07039	1.6
239.10567	1.9
240.07857	2.3
241.08519	1.8
245.09554	1.4
247.07343	2.2
249.05469	1.3
249.09033	7.1
250.06180	1.3
251.06970	2.0
251.10764	2.8
252.07872	1.8
253.08546	6.1
255.06502	2.2
255.10051	1.5
261.08981	2.2
263.06952	1.7
263.10571	2.1
264.07733	2.1
265.08545	12.0
266.05869	1.1
267.10117	4.3
269.08133	1.7
270.08920	1.6
277.08575	6.7
277.12231	1.8
278.09354	1.5
279.07016	1.3
279.09967	5.0
281.08127	4.2
281.11414	1.1
283.09579	5.6
284.10394	1.2
285.11197	8.5
287.12692	1.5
291.10104	2.0
293.08060	2.3
293.11569	1.8
295.09641	4.1
296.10431	2.7
297.11209	19.7
299.12793	4.4
305.11667	3.1
308.10330	1.1
309.11246	6.1
311.12726	19.4
313.10583	2.2
313.14038	1.3
317.14301	1.9
321.11325	1.1
323.12784	6.3
325.14325	2.3
329.14032	1.8
337.14340	14.5
341.13971	2.2
343.15356	3.1
348.10858	1.1
349.14291	3.6
355.15433	20.0
367.15338	9.0
403.15262	1.4
447.17490	1.3
461.19574	3.2
465.19061	1.5
479.20795	4.9
491.20187	3.2
509.21744	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	507.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	16.1
57.03431	1.6
57.07076	34.0
61.67466	1.5
67.00074	1.6
67.05505	46.8
68.21270	1.7
69.07064	19.9
71.04971	2.7
71.08628	25.6
79.05487	24.2
79.25467	1.8
81.03397	1.8
81.07054	58.8
83.04981	3.0
83.08611	17.1
85.06540	5.1
85.10165	13.6
91.05486	17.5
92.97536	2.1
93.07038	24.3
95.04958	4.3
95.08045	2.8
95.08605	31.5
95.09176	3.2
97.06543	3.9
97.10157	6.7
98.21581	3.7
98.25599	1.7
99.11729	2.2
105.07040	5.9
107.08609	13.3
109.10162	9.8
111.11655	2.5
117.07022	6.5
121.10138	4.2
121.62675	1.9
123.11700	5.6
131.08586	5.1
133.10120	7.6
135.11638	4.0
149.13243	11.1
159.11722	5.3
177.12746	3.6
183.45743	1.9
195.13745	11.8
230.78328	1.8
239.23737	4.9
258.06073	2.0
320.63885	1.9
418.82550	1.7
443.98651	1.7
507.23160	3.4
507.40445	100.0
508.41080	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	507.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
54.37442	0.6
55.01872	1.0
55.05507	11.4
57.03428	3.1
57.07072	29.8
57.66821	0.6
65.03938	1.2
67.05500	39.5
69.07066	16.0
70.21195	1.1
70.21563	2.6
71.04985	2.3
71.08627	22.2
79.05486	18.7
81.03426	0.8
81.07053	50.7
82.07381	0.6
83.04962	2.8
83.08615	16.3
85.06532	2.0
85.10177	10.1
91.05479	10.2
93.07037	27.6
95.04964	3.4
95.08600	29.5
97.06533	4.7
97.10160	4.5
99.08089	1.9
99.11706	0.6
105.04473	0.7
105.07031	3.8
107.08586	15.8
109.06533	1.3
109.10151	10.7
111.08076	4.2
111.11705	1.4
117.07013	3.3
119.08577	1.9
121.06448	0.6
121.10129	8.6
123.11702	4.6
125.13280	1.3
131.08528	3.6
133.10110	3.3
135.08090	0.6
135.11682	3.8
137.13264	1.6
139.11195	1.0
149.12025	1.2
149.13246	21.9
151.14848	0.7
159.11674	8.6
164.94057	0.6
165.16313	0.7
173.97292	0.5
177.12733	4.5
195.13789	8.4
213.14899	0.9
221.22684	0.6
239.23688	8.0
269.11591	0.8
271.13126	1.1
415.63943	0.6
489.35547	0.7
492.33777	0.6
507.40445	100.0
508.40747	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	507.3681
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
51.51016	2.3
53.03949	3.5
55.01880	2.8
55.05509	21.3
57.03420	6.1
57.07064	6.8
59.04988	4.3
62.20303	2.6
67.05501	100.0
69.03429	2.9
69.07062	16.9
70.63161	3.8
70.63516	8.7
71.04985	5.0
71.08615	3.9
79.05479	28.3
81.03413	3.2
81.07047	58.2
82.86404	2.4
83.04986	3.9
83.08611	18.4
85.06540	4.2
91.05469	22.0
93.07033	41.6
95.04971	4.2
95.08595	44.6
97.06529	5.7
97.10154	10.6
99.08075	2.9
105.07028	24.8
107.08596	26.2
109.06501	5.8
109.10151	69.4
111.08122	3.8
117.06994	7.0
119.08567	25.4
121.10130	23.1
123.11713	7.1
124.48944	2.7
125.09631	12.1
128.44820	2.6
129.07045	3.0
131.08531	12.4
133.10110	15.4
135.08072	3.1
135.11678	16.3
137.09618	5.5
137.13303	2.9
142.07806	2.5
143.08572	4.3
145.10068	16.2
147.11687	11.3
149.09595	3.0
149.13251	8.8
155.08603	3.7
157.10103	4.2
159.11694	10.7
161.13301	4.6
163.14792	2.8
171.11649	3.6
173.11742	14.6
173.13171	5.6
175.14772	4.3
176.46300	3.3
183.11716	4.0
187.14844	6.5
189.11206	8.8
194.24609	2.4
195.00287	6.3
197.69562	2.4
199.14781	4.3
211.20938	2.5
227.12773	12.5
229.14339	45.4
231.15826	3.5
243.21146	5.7
261.22113	23.9
267.86221	2.3
289.06775	2.8
317.24738	4.5
335.25775	25.8
379.29929	2.9
397.30896	7.6
415.32037	9.0
433.33203	5.8
471.34525	6.6
489.28952	3.7
489.35745	66.9
507.29037	24.2
507.36847	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3678
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
53.03936	3.7
55.01855	2.0
55.05507	23.4
57.03432	8.6
57.07076	11.5
62.97313	1.6
65.03945	2.4
67.05499	100.0
69.03406	1.8
69.07054	18.9
71.04978	5.2
71.08620	5.4
71.34521	3.2
79.05492	25.2
81.03397	3.7
81.07053	76.6
83.08612	17.1
83.32883	1.5
85.06527	4.5
85.10162	3.1
87.80633	1.4
88.74296	1.4
91.05482	24.1
92.22306	1.4
93.07038	42.4
94.22115	1.5
95.04945	3.2
95.08599	50.4
97.06533	3.7
97.10159	16.4
99.08079	3.2
105.07016	20.4
107.08583	26.3
109.06551	1.7
109.10150	63.4
111.08106	4.0
117.07019	8.1
119.08578	16.8
121.10131	18.4
123.08099	1.8
123.11723	9.5
125.09591	10.3
129.07014	4.2
131.08513	13.8
133.10123	19.0
135.08058	2.8
135.11694	17.8
137.13266	2.6
139.11160	3.4
143.08612	2.8
145.10162	10.5
147.11644	14.0
149.13249	9.6
155.10699	3.2
157.10173	3.1
159.11665	11.7
161.13263	6.6
163.14810	3.6
169.10089	2.0
171.11737	4.4
173.11740	17.0
173.13261	8.8
175.14812	1.6
185.13263	3.2
187.14851	4.4
189.11253	8.7
195.13899	3.1
197.13190	1.8
199.14967	1.8
227.12802	10.5
229.14334	41.2
231.15750	3.0
243.21165	4.7
245.61966	1.8
259.20401	2.9
261.22119	22.7
279.23358	2.2
282.28467	1.7
285.22021	1.9
288.80966	1.8
312.07056	1.7
317.24789	5.7
335.25793	31.3
351.25290	2.4
379.29990	4.5
397.30920	7.8
415.32162	10.2
433.33051	8.1
435.30713	2.2
449.33005	2.7
471.34595	7.9
489.35706	69.5
507.27158	6.0
507.37082	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.368
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
53.03936	3.0
55.01878	3.0
55.05262	1.8
55.05508	26.9
57.03438	10.6
57.07075	10.9
59.04979	2.6
65.03935	4.1
67.05501	100.0
69.03412	2.2
69.07064	19.9
69.53611	4.2
69.54028	7.5
71.04977	5.8
71.08621	4.3
79.05485	32.3
81.03400	4.2
81.07050	70.6
81.70077	1.4
83.04961	3.1
83.08611	15.5
85.06529	4.2
85.10155	2.2
87.78008	1.4
91.05466	22.3
93.07037	41.4
95.04953	4.5
95.08601	54.4
97.06526	2.7
97.10170	16.4
105.06383	2.0
105.07031	23.1
107.08589	28.3
107.14156	1.4
109.06484	2.9
109.10151	58.0
111.08073	5.0
117.07003	6.2
119.08569	18.1
121.06462	1.5
121.10134	20.0
123.11707	11.7
124.55672	1.5
125.09612	11.6
129.07013	3.8
131.08527	15.1
133.10127	16.4
135.08058	1.9
135.11676	14.6
137.09633	3.6
137.13225	2.8
137.47867	1.3
139.11179	2.3
143.08536	3.2
145.10112	12.3
147.11688	10.5
149.13255	12.0
153.09039	2.1
153.12798	1.6
155.10638	1.8
157.10075	3.8
159.11714	10.3
161.13234	7.6
163.14818	4.8
169.10231	2.2
171.11690	3.2
173.11719	13.3
173.13239	9.3
175.14850	2.2
177.12782	1.7
177.16278	1.5
183.11668	2.3
185.13274	4.1
187.14828	4.6
189.11194	6.6
195.13824	2.5
197.13272	1.4
199.14728	3.1
201.16383	1.7
213.16374	1.3
227.12779	9.5
229.14357	29.5
231.15932	3.2
243.21091	4.7
259.20633	3.0
261.22156	25.7
263.23657	2.3
279.23105	3.0
284.61935	1.5
285.22214	2.0
317.24673	3.6
335.25784	25.0
379.30215	3.0
397.31125	6.8
415.31848	9.7
433.33142	5.8
449.32635	2.1
471.34738	6.6
489.35742	67.6
507.27969	2.8
507.37079	39.4
508.08597	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
54.55124	1.4
55.01852	2.6
55.05505	22.2
57.03415	2.3
57.07075	9.3
67.05499	37.4
69.03410	3.7
69.07063	35.3
69.69222	10.9
71.04984	6.6
71.08620	4.3
71.80708	1.4
74.54963	1.6
79.05488	19.1
81.07052	100.0
83.04948	3.2
83.08613	20.7
85.02893	7.8
85.06537	9.1
85.10159	3.1
88.18114	1.6
91.05473	12.7
93.06464	2.9
93.07036	39.0
95.04939	7.5
95.08599	90.5
97.02888	3.7
97.06525	7.5
97.10173	17.6
97.16604	1.6
98.20792	2.2
99.08071	4.2
105.07013	17.2
107.04972	3.1
107.08578	31.9
109.06477	3.5
109.10152	45.5
111.08071	4.7
111.11717	9.5
119.04922	2.4
119.08567	13.1
121.06518	1.5
121.10147	25.8
123.04399	4.2
123.08121	2.6
123.11697	29.2
125.09633	1.6
125.13263	3.9
126.05486	3.4
127.03927	3.0
131.08607	3.1
133.10104	9.6
135.11681	18.7
137.05984	4.7
137.09579	3.1
137.13223	11.7
139.11186	1.8
143.03401	1.6
145.10155	3.4
147.04424	3.5
147.11687	8.3
149.09674	2.4
149.13245	23.3
151.03902	2.3
151.14699	3.6
153.01799	11.8
157.10237	2.1
159.08093	1.8
161.13217	2.7
163.03879	1.5
163.07484	1.9
163.14833	15.5
165.09102	10.1
165.16393	2.6
167.07040	2.6
169.15897	2.1
175.14784	2.9
177.05478	3.9
177.16394	9.0
179.17981	3.8
181.15628	1.6
185.13167	1.6
186.07449	1.9
189.16364	4.5
191.17947	3.1
193.15787	2.5
195.17456	2.2
203.17957	2.9
207.17363	2.9
213.18405	1.5
217.19582	3.4
246.33914	1.6
247.24173	2.4
261.25702	6.2
265.25232	2.1
273.25754	12.3
279.26791	8.5
291.26810	17.8
297.27832	12.7
309.27863	22.1
327.28888	2.7
493.21277	1.7
507.21573	18.4
507.25360	21.8
507.32947	6.6
508.21085	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	507.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08955	1.3
53.03940	1.9
54.48218	1.2
55.05263	1.6
55.05505	23.9
55.55724	1.3
56.14973	1.2
57.07075	7.6
65.03941	2.4
66.09055	1.3
67.05498	36.6
69.03401	4.9
69.07059	35.2
71.04980	5.2
71.08607	4.8
71.60392	1.9
79.05103	1.6
79.05487	15.8
81.03407	2.8
81.07050	100.0
81.39101	1.5
83.04981	2.8
83.08622	21.7
85.02904	9.1
85.06532	6.7
85.10193	1.5
91.05469	10.3
93.07035	35.7
95.04944	6.2
95.08598	86.5
97.02860	3.8
97.06515	5.0
97.10163	18.9
99.04433	1.5
99.08060	5.3
105.06516	1.2
105.07035	15.8
107.08578	33.1
109.02850	1.7
109.06519	3.0
109.10146	52.5
111.08060	6.3
111.11713	10.2
119.08571	13.3
121.10139	29.7
123.04414	5.0
123.08036	2.7
123.11703	29.1
125.09581	2.3
125.13251	4.7
127.03906	2.2
127.11174	1.6
131.08536	3.3
133.10129	8.8
135.11697	19.9
137.05942	4.0
137.09593	3.4
137.13216	11.1
139.03844	3.6
139.09013	1.6
139.11163	4.0
141.12788	1.3
143.46529	1.5
145.04930	1.7
145.10095	2.7
147.04353	1.8
147.11682	8.6
149.13228	21.9
151.03876	2.1
151.14798	5.7
153.01828	8.6
153.12704	2.0
155.10577	1.7
161.05856	1.6
161.13232	5.8
163.14799	13.6
165.09114	5.1
165.12814	1.7
165.16429	3.8
173.13167	2.4
175.14792	3.1
177.05482	2.1
177.09181	1.5
177.16319	6.7
179.17928	2.4
181.15779	1.5
186.07733	1.6
189.16351	3.0
191.17883	3.5
193.15910	1.7
195.17499	2.4
203.17839	2.0
205.19440	2.2
217.19550	2.0
261.25681	4.6
273.23093	1.7
273.25690	10.0
279.26837	10.2
291.26801	22.2
297.27826	10.6
309.24301	3.0
309.27808	27.3
327.28897	3.5
327.64999	1.5
343.32330	1.6
345.30191	1.7
355.11734	1.7
507.21741	17.3
507.25241	16.7
507.32861	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	507.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
55.05510	22.6
57.03418	1.7
57.07059	5.3
64.32813	1.5
67.05499	34.7
69.03432	3.5
69.06717	3.0
69.07063	36.1
70.85890	3.7
70.86240	3.0
71.04993	4.0
71.08623	3.4
73.02907	4.8
74.03268	1.5
74.36120	1.3
79.05482	16.3
81.03413	1.7
81.07052	100.0
83.08612	23.1
85.02909	8.8
85.06542	5.2
85.10185	2.2
86.03204	1.6
91.05491	8.5
93.07034	32.8
95.04980	3.2
95.08599	89.9
97.02880	3.2
97.06509	5.6
97.10155	17.7
99.08064	3.3
101.61214	1.6
105.07037	13.3
107.08581	32.0
109.06508	2.6
109.10149	46.4
111.08066	3.1
111.11732	8.7
115.07547	1.8
119.08585	10.2
121.10145	26.9
123.11700	27.0
125.09616	2.9
125.13232	2.2
127.03911	2.5
133.04912	2.5
133.10109	6.9
135.11676	20.0
137.09586	2.6
137.13257	10.3
139.11159	2.3
142.55670	1.5
143.77370	1.8
143.98964	1.6
147.11652	5.5
149.13254	22.1
151.14870	7.6
161.13242	3.6
163.14815	13.5
165.16376	3.3
175.14873	2.6
177.16414	14.9
178.16698	5.9
179.17950	3.1
182.56258	1.6
189.16403	3.0
191.17960	4.5
195.17416	2.2
203.17924	1.8
217.19434	3.4
246.31303	1.4
247.24150	2.7
261.25742	6.6
273.25705	9.5
279.26785	8.8
291.26770	18.9
297.27783	13.7
309.27878	25.5
380.89752	1.5
507.29373	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.5
61.02913	0.3
63.20799	0.3
67.05480	0.8
69.07051	0.6
70.21120	1.1
71.04987	0.4
79.05482	0.7
81.07034	1.2
83.05008	0.3
83.08633	0.4
87.54649	0.3
91.05465	1.0
93.07043	1.1
95.04941	0.5
95.08588	1.2
105.07019	0.8
107.08583	0.9
109.10141	0.6
114.02729	0.3
119.08560	0.9
121.06487	0.5
121.10104	0.7
123.04412	0.4
123.22739	0.3
131.08566	0.3
133.10165	0.7
135.08023	0.4
135.11714	0.5
137.05907	0.3
145.10146	0.3
147.04448	0.3
147.11687	0.4
157.10146	0.4
159.11757	0.4
171.03392	0.3
192.49361	0.3
203.05251	2.9
208.88490	0.3
255.20421	0.3
327.22922	13.8
337.17816	0.4
345.24030	0.9
355.19049	0.6
467.60898	0.3
501.25131	0.3
507.29282	100.0
508.29605	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2927
Annotation	Ixabepilone  
Peak:m/z	Relative Intensity
50.03059	0.3
55.05498	0.3
67.05491	0.9
69.07068	0.4
70.78744	0.5
70.79115	0.5
76.09149	0.3
79.05487	0.7
81.07048	1.1
82.91980	0.3
83.04958	1.4
93.07037	0.7
95.04945	0.5
95.08592	1.0
105.07025	0.9
107.08607	0.6
109.06505	0.3
109.10168	0.7
119.08561	0.9
121.10131	0.7
123.04420	0.5
129.06989	0.3
133.10156	0.5
135.73059	0.3
137.06017	0.3
139.03830	0.3
145.10114	0.4
147.04344	0.3
147.11601	0.4
150.37233	0.3
151.11142	0.3
153.01869	0.7
201.03682	0.3
203.05243	3.6
203.06879	0.4
233.15114	0.7
241.58275	0.3
294.99301	0.3
306.68427	0.3
309.21872	0.8
327.22934	15.5
329.24527	3.6
378.89395	0.3
507.29272	100.0
508.29514	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57020	2.0
53.03941	3.5
55.05507	18.7
57.07064	6.4
61.97989	1.9
65.95631	1.7
67.00497	2.1
67.05503	28.5
69.07066	31.6
71.04983	4.3
71.05540	2.4
71.05862	3.6
71.08613	2.4
78.52863	1.5
79.05486	13.6
81.07054	100.0
83.08614	19.9
85.02901	3.8
85.06524	4.6
85.10168	2.0
87.07066	1.8
91.05473	9.4
93.07035	34.5
95.04973	3.9
95.08603	84.0
97.06512	3.7
97.10164	16.5
99.08073	3.9
105.07030	11.6
107.08596	30.4
109.06543	2.4
109.10147	48.4
111.08080	3.0
111.11708	11.6
119.08566	8.5
121.10152	19.6
123.11701	25.4
125.13292	4.1
133.10117	6.6
135.11681	17.0
137.09593	3.5
137.13255	10.5
139.72353	2.4
145.10217	1.8
147.11694	5.4
149.13261	25.8
151.14796	7.9
161.13228	3.1
163.14838	13.4
165.16431	3.9
170.96577	2.0
175.14859	3.0
177.16368	7.0
179.17863	3.4
191.17908	2.7
203.17918	3.3
217.19414	2.3
235.20448	2.0
247.24167	3.0
261.25772	5.0
265.25177	3.4
270.20993	1.8
273.25861	10.5
279.26907	8.3
291.26846	18.6
297.27817	13.5
309.27817	21.6
507.25632	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96569	0.4
55.05504	1.5
56.47755	0.4
57.03403	0.5
57.07068	0.5
64.86925	0.4
67.05503	3.2
69.03445	0.4
69.07063	0.7
70.63221	0.6
70.63590	1.3
71.04972	0.4
71.27516	0.3
78.84816	0.4
79.05488	3.7
81.03413	1.1
81.07048	3.0
83.04979	2.2
83.08621	0.9
85.02921	0.8
91.05475	2.5
92.97595	0.4
93.07037	3.2
95.04974	1.2
95.08612	2.7
97.06538	0.7
97.10208	0.7
105.07024	2.5
107.04987	0.7
107.08604	2.3
109.06454	0.8
109.10162	1.5
111.04436	0.6
111.08076	0.4
117.06993	0.9
117.22665	0.4
119.08601	2.0
121.10141	1.7
123.08044	0.7
123.11692	0.5
129.06989	0.7
131.08588	0.9
133.10114	0.9
135.11693	0.6
137.09648	0.6
143.08533	0.6
145.10114	0.9
147.04333	0.4
147.11690	1.4
153.01828	0.8
156.39262	0.4
157.10110	0.7
161.09598	0.4
161.13260	0.5
163.11169	0.5
165.09169	0.5
171.11699	1.0
173.13232	0.5
175.14825	0.4
181.08617	0.4
189.37190	0.5
203.05283	3.4
207.13766	1.1
209.11726	0.8
227.12775	0.5
233.15118	0.7
281.17459	0.9
283.15363	1.0
309.21918	1.2
310.22757	0.4
322.33954	0.4
327.22940	9.3
329.24585	0.6
344.43185	0.4
345.24173	1.1
409.25558	0.5
466.08231	0.5
489.28555	0.9
507.29294	100.0
508.29852	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	507.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
54.76781	0.4
55.05507	3.0
55.06220	0.4
57.03401	1.2
57.07045	1.3
60.63486	0.4
62.41249	0.4
65.03901	0.5
67.05168	0.5
67.05498	6.3
69.03419	3.0
69.06730	0.4
69.07061	5.2
71.04969	1.2
71.08607	0.6
71.45739	0.9
79.05475	3.1
81.03384	1.8
81.07046	17.6
83.04961	1.4
83.08598	3.7
85.02897	7.2
85.06506	1.6
87.04443	0.5
91.05448	1.7
93.07040	5.2
95.04951	0.8
95.08598	15.4
97.02897	3.1
97.06512	0.6
97.10157	2.5
99.04439	0.6
101.05963	0.9
105.07034	2.5
107.08595	5.2
109.02844	1.1
109.06478	0.9
109.10146	9.2
111.08066	0.6
111.11660	1.3
113.09638	0.5
115.07537	0.9
119.08546	1.4
120.08098	0.7
121.02841	2.5
121.09391	0.6
121.10133	4.5
123.04404	0.7
123.08031	0.7
123.11700	5.9
126.05478	1.7
127.03862	1.8
129.06956	0.4
131.08476	0.6
133.06427	0.4
133.10092	1.4
135.11679	3.7
137.02301	3.2
137.05914	0.6
137.13263	2.6
139.03864	0.7
141.27023	0.6
141.39243	0.4
143.10632	0.7
145.04961	0.8
145.10132	0.8
147.04353	0.7
147.11638	1.3
147.53719	0.4
149.09538	0.7
149.13232	3.3
151.11168	0.8
151.14801	2.4
153.01816	2.8
159.13719	0.9
161.13287	0.6
163.14755	2.4
165.09077	0.7
165.12741	1.5
165.16312	0.6
167.07030	1.6
173.05836	0.5
175.14743	0.5
177.16389	1.3
179.17871	0.6
186.07646	0.5
191.14247	0.6
191.17926	1.2
197.13249	0.5
201.05408	0.8
203.18007	0.7
207.13712	0.5
209.15343	4.3
215.03334	0.8
215.20045	0.6
217.19485	0.6
229.04919	0.6
231.02853	0.9
242.02048	0.9
243.02872	0.8
246.20065	0.4
254.10806	1.2
259.02274	1.5
261.25696	1.3
269.00839	1.0
270.01764	0.7
271.02356	1.8
273.25812	1.6
279.26837	0.8
285.03900	3.3
287.01828	2.9
291.26801	2.0
297.00272	0.7
297.27808	2.6
299.01892	5.6
309.27792	5.2
313.03418	10.2
314.04169	10.1
315.01367	5.6
327.28958	2.2
329.02823	1.2
330.03647	14.6
330.07455	0.8
331.03970	0.7
345.06018	76.7
346.06253	2.8
355.06305	7.7
408.48532	0.5
454.35211	0.5
507.18307	100.0
508.18549	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.6
67.05496	2.9
69.03408	5.5
69.07049	1.7
69.52322	8.7
69.52729	2.4
70.06571	4.3
71.04990	4.4
73.98875	1.5
79.01846	3.6
79.05474	5.2
79.31853	1.3
80.05817	2.3
81.03403	3.0
81.07043	6.8
82.07362	1.5
83.04974	2.7
85.02908	9.9
90.82156	1.7
91.05468	8.2
92.05822	1.6
93.07027	4.3
94.07398	1.5
95.04946	5.1
95.08607	3.5
97.02934	1.8
98.21302	5.0
104.21635	1.6
105.07018	7.7
106.07339	2.2
107.04929	4.9
107.08577	15.5
108.08920	3.9
109.02863	2.7
109.06494	2.5
109.10145	6.2
110.10425	1.6
114.25832	1.5
117.03393	2.0
117.07008	2.1
119.04934	1.9
119.08580	4.4
120.08154	2.8
120.08904	1.7
121.06483	2.6
121.10142	7.9
122.07272	3.8
122.10471	3.4
123.04418	3.8
123.07625	1.5
125.02352	1.7
127.03916	2.3
129.05504	1.8
131.08588	3.0
133.10126	56.1
134.10458	32.8
135.08031	5.7
135.11717	2.3
136.08354	3.5
137.05965	10.1
137.09604	31.5
138.09970	15.5
143.03398	3.8
147.04376	4.4
147.11613	1.6
149.09531	2.6
149.13231	5.8
150.13535	3.1
153.01813	57.4
154.02144	18.3
160.05173	1.7
161.05914	3.0
163.07558	2.6
163.17511	1.4
165.05444	2.8
165.06979	2.9
171.02925	3.1
173.13272	3.7
174.06731	1.9
174.13608	2.7
177.09059	2.1
178.07838	1.6
191.08519	2.3
191.14305	23.3
192.14618	24.8
194.07326	1.9
195.08067	2.8
195.10063	2.2
196.06287	1.6
206.07191	1.9
208.09578	2.2
220.08826	3.0
221.05960	2.9
222.06757	2.4
223.07544	4.2
225.09094	4.3
235.07674	1.7
237.09073	2.6
239.06972	1.8
240.07791	1.8
248.08333	5.2
249.09138	3.5
251.06993	2.7
253.08571	8.5
254.09482	2.1
255.10051	2.5
265.08557	5.2
266.09390	7.1
267.10101	1.8
281.08063	5.9
281.11407	2.0
283.09647	5.1
285.11246	3.1
286.11871	4.5
297.11264	5.8
298.12054	3.6
309.11163	3.8
310.11926	6.9
311.12610	4.3
315.07059	3.3
327.12250	41.5
329.13623	1.7
330.14606	34.2
341.13806	5.2
342.14603	100.0
360.15594	12.6
488.20151	2.8
506.22418	3.4
506.29367	1.7
507.18301	2.2
507.27969	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.2
57.04030	3.6
62.02838	3.2
67.05495	10.5
69.07071	22.1
71.00111	7.6
71.00240	2.6
71.04992	11.9
79.05502	6.8
80.92746	3.2
81.07047	25.2
83.08625	11.0
86.75855	2.9
91.05479	5.8
93.07040	7.3
95.08605	32.2
97.10188	4.1
105.07014	6.8
107.08601	16.0
107.43263	3.3
109.10133	25.3
111.08099	10.0
111.11714	5.1
119.08576	28.6
121.10152	13.8
123.11690	13.8
125.09644	8.2
130.96172	3.4
131.07059	7.4
131.08580	7.5
133.10141	13.4
135.08083	3.9
135.11743	4.0
137.09731	4.3
137.13293	10.9
143.08583	3.3
145.10143	10.5
147.11713	6.4
149.13210	3.5
151.76025	2.9
153.09119	3.6
157.10133	9.8
159.11688	22.0
161.13274	5.0
163.14793	5.0
169.10109	4.2
171.10165	17.9
171.11760	13.1
173.13297	5.7
180.48276	3.2
183.11682	11.3
185.13264	11.8
187.14748	5.3
191.17929	6.9
195.00310	9.1
197.13225	5.0
199.14755	4.8
211.14735	6.1
215.17989	5.0
217.19566	3.7
225.16408	5.4
227.17993	4.8
237.16112	4.4
323.27295	29.5
393.31512	6.3
435.32587	9.1
453.33640	100.0
471.34686	23.7
495.61984	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	505.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.05505	15.3
57.03433	1.2
57.07069	4.3
57.78719	1.3
58.84489	1.3
65.03916	1.4
65.56796	1.2
67.05499	24.4
69.03424	3.1
69.07062	34.8
70.04369	5.6
71.04974	1.6
71.08626	2.1
77.03902	1.2
79.05491	10.2
81.03400	1.8
81.07051	86.0
83.04955	1.6
83.08611	15.0
85.02908	7.0
85.06538	3.2
91.05473	4.7
93.07040	19.1
95.04982	2.7
95.08601	100.0
97.02871	2.0
97.06528	3.8
97.10171	16.0
99.04460	2.1
99.08082	4.6
105.07020	6.7
107.04892	1.3
107.08590	20.6
109.02880	2.0
109.06470	1.4
109.10148	46.1
111.08083	5.5
111.11719	11.3
113.09615	3.1
117.07050	1.4
119.08576	11.8
121.10143	17.3
123.04420	2.1
123.08045	1.9
123.11704	27.3
125.09628	4.2
125.13216	2.5
127.03893	1.9
131.08528	3.1
133.06461	1.9
133.10152	7.9
134.89694	1.3
135.11652	9.4
137.06024	1.8
137.09612	2.8
137.13226	10.9
137.23114	1.1
139.04021	1.2
139.11171	6.1
143.10648	1.8
145.10130	3.8
147.04408	2.2
147.08020	2.4
147.11691	5.8
149.09598	2.3
149.13226	8.8
151.11201	3.7
151.14807	28.9
153.01817	7.9
153.12703	1.8
157.10229	2.9
157.12230	5.3
159.11693	3.9
161.13255	7.6
163.14832	5.5
165.12738	3.7
165.16411	4.6
165.73619	1.3
167.14371	1.6
169.12259	2.4
173.13297	1.8
175.14822	4.5
177.16383	4.7
179.14340	7.2
179.17918	1.3
183.13837	1.7
187.13287	3.9
187.14771	1.5
189.16388	2.8
191.17918	2.3
193.15900	5.5
197.15385	4.2
201.16364	3.3
203.17947	2.0
205.15840	1.5
207.17432	6.2
209.15343	1.8
211.16940	1.6
213.18445	2.7
215.17935	5.9
219.17497	1.2
221.19099	2.6
223.16911	2.5
225.18472	1.5
233.19011	4.8
237.18465	4.7
251.20015	4.7
259.24225	1.6
263.23788	1.7
271.24243	7.8
277.25235	4.9
289.25262	16.6
295.26352	2.8
307.26312	34.5
325.27441	5.6
373.27789	1.8
397.27600	1.8
415.28366	2.8
433.29282	2.5
451.30920	1.5
473.99161	1.5
505.26724	1.5
505.36951	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2772
Annotation	Mellerin B
Peak:m/z	Relative Intensity
55.05497	0.7
67.05486	0.6
69.03448	0.2
69.07054	0.4
71.04974	0.2
71.34364	0.5
73.40258	0.2
75.24660	0.2
75.41906	0.2
76.59061	0.2
79.05478	0.5
80.97441	0.3
81.03394	0.3
81.07040	1.0
83.04969	3.1
85.06521	0.3
86.95663	0.3
91.05475	0.5
93.07033	1.1
95.04961	0.5
95.08601	0.7
97.06527	0.3
105.07034	0.7
107.04939	0.3
107.08582	0.9
109.10143	0.8
119.08568	0.9
121.06490	0.3
121.10152	0.7
123.11669	0.3
127.61076	0.3
133.10123	0.6
145.10086	0.4
149.00092	0.2
149.09662	0.4
161.43964	0.3
174.10149	0.7
175.14822	0.2
179.03290	0.3
203.05247	1.8
204.35934	0.2
231.13562	2.2
283.64236	0.3
307.20233	1.4
325.21378	12.2
327.22995	0.5
341.49557	0.3
343.22675	1.3
441.91705	0.3
505.27686	100.0
506.28128	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	505.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.4
62.99156	0.2
67.05500	1.5
69.07065	0.3
70.26754	0.8
79.05472	0.6
81.07042	0.9
83.08603	0.4
85.06529	0.2
91.05468	0.9
93.07032	0.7
95.08599	0.7
105.07027	0.7
107.08575	0.9
109.10154	1.3
111.08018	0.3
116.27140	0.2
116.63750	0.2
119.08568	1.0
119.10484	0.2
121.10158	0.5
133.10123	0.4
135.11703	0.3
143.08589	0.3
145.10110	0.3
147.11685	0.6
149.13202	0.4
159.11647	0.3
161.13245	0.4
173.11748	0.3
229.14386	0.8
229.74625	0.2
243.95992	0.3
259.20584	0.7
333.24158	0.5
505.33456	100.0
506.33807	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60023	2.2
54.18748	2.1
55.05505	10.3
57.07072	100.0
58.17389	2.2
59.92664	2.3
61.02966	2.8
67.05500	12.5
69.07067	9.3
71.59145	2.1
71.59528	3.8
76.27845	2.1
79.05497	10.2
81.07059	27.7
83.04966	3.6
83.08613	6.7
85.06541	97.0
91.05473	5.9
93.07031	18.5
95.04975	3.1
95.08607	23.4
97.10175	10.1
99.08099	4.8
105.07016	17.3
107.08598	23.1
109.06548	3.2
109.10159	10.7
117.06988	2.8
119.08575	30.7
121.10117	23.9
123.11691	9.2
127.11185	3.2
131.08553	3.9
133.10175	11.3
135.11699	4.2
139.14789	2.9
145.10135	9.6
147.11642	3.7
149.13219	12.8
151.11215	3.5
155.14317	4.7
158.64462	2.5
159.11708	12.5
161.13289	4.3
173.13191	2.5
175.14963	3.1
189.16367	41.1
197.19006	81.7
199.14853	2.5
200.60466	2.2
203.18092	2.7
213.18527	3.1
215.17960	4.5
219.54189	2.3
271.24136	12.5
289.25259	61.0
307.26349	7.0
332.07004	2.3
335.75482	2.4
454.64270	2.8
468.29013	2.4
504.30371	4.9
505.27966	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	505.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.05492	2.6
57.03430	1.7
57.06784	1.0
57.07071	21.1
59.04990	1.6
67.05505	7.3
68.02364	0.6
69.03418	4.0
69.07059	7.0
70.60792	0.7
71.04977	1.1
71.08622	0.9
71.61670	1.3
73.06547	4.3
79.01835	2.5
79.05481	1.7
81.03403	5.8
81.07049	17.1
83.08610	1.6
85.02906	5.1
85.06535	61.6
89.06056	0.9
91.05489	0.9
93.07023	1.5
95.04965	0.8
95.08600	14.4
97.02873	2.9
97.10159	2.0
98.45931	0.6
99.04429	1.0
99.08090	14.5
103.20470	0.6
106.59142	0.6
107.01308	1.5
107.04913	0.6
107.08601	1.2
109.02873	4.6
109.10107	1.0
111.11708	2.1
113.09630	1.2
120.08051	0.8
121.10125	0.9
123.04405	1.2
125.02341	4.6
127.03925	7.4
129.12733	1.4
133.10112	1.2
137.05992	1.3
137.13240	15.9
138.05519	1.3
143.03387	5.3
153.01817	100.0
155.14291	46.6
171.02882	10.8
173.15364	18.0
177.05336	0.8
191.16406	38.6
209.15372	0.9
241.86929	0.6
279.05051	0.8
297.06042	4.5
315.07111	14.5
317.58005	0.7
373.74335	1.0
403.84354	0.7
505.21780	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.5
60.63636	0.3
63.91453	0.4
67.05490	1.0
69.03409	0.7
69.07073	0.5
70.74561	0.4
71.60593	0.5
79.05466	0.6
81.07036	1.4
83.04987	0.5
83.08626	0.6
85.02898	0.8
89.67085	0.4
91.05458	1.2
93.07036	1.1
95.04946	0.6
95.08610	1.6
97.06532	0.6
103.03576	0.3
105.07037	1.3
107.04961	0.5
107.08601	1.3
109.06480	0.8
109.10121	0.9
116.81044	0.3
119.08604	1.1
121.06500	0.4
121.10103	0.4
123.11720	0.5
131.08606	0.5
133.06415	0.5
133.10123	8.9
133.11092	0.7
134.10460	0.5
135.08003	0.4
142.11517	0.4
145.10042	0.4
147.11681	0.4
149.13141	0.4
151.03868	0.8
151.07634	0.4
157.10161	0.4
161.05986	1.0
163.11206	0.4
177.05487	0.5
179.03389	2.0
179.07034	2.7
183.02919	0.4
191.71291	0.4
197.04416	2.9
203.05209	2.3
205.04855	0.5
223.06017	3.3
325.21344	17.1
326.21664	0.5
343.15350	0.8
343.22253	1.3
360.67056	0.3
412.50610	0.4
505.27686	100.0
506.28024	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	504.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01849	0.4
55.05506	3.3
57.03411	0.4
57.07076	0.3
59.04979	0.4
61.02899	0.5
62.06071	0.7
64.11806	0.3
67.05489	0.6
69.03420	1.9
69.07056	1.3
69.75737	0.2
71.08627	4.4
71.20664	0.4
71.49818	0.3
72.08141	0.7
73.02905	1.3
79.05456	0.4
81.03397	0.8
81.07037	2.3
83.04977	2.7
83.08611	0.6
84.08122	0.8
85.02893	4.3
86.06059	3.9
87.04453	0.4
91.05466	0.5
93.07029	0.9
95.08585	1.7
96.08121	2.3
97.02904	1.4
98.06023	0.5
98.09683	3.4
99.08083	2.3
101.06001	2.8
105.07005	1.0
106.07346	0.3
107.08569	0.7
108.08102	1.2
109.02869	0.4
109.06479	0.3
109.10155	0.8
111.04441	2.0
112.07573	0.3
113.08293	0.3
114.09134	0.6
115.03943	0.7
116.10719	12.6
119.04903	0.8
119.08563	0.8
121.06546	0.4
121.10072	0.6
122.09653	1.2
123.04402	0.5
124.07558	0.5
127.03912	1.1
127.07529	0.4
129.05464	2.1
131.08525	0.5
133.04993	0.3
133.10072	0.4
135.08044	0.4
135.11684	0.4
136.07527	0.2
136.11163	0.5
137.05975	0.4
137.09596	0.3
137.13231	0.2
137.17754	0.2
138.09128	0.4
140.10669	0.7
141.51613	0.2
142.08617	0.6
143.10634	1.7
145.04904	0.6
147.04410	2.4
147.06490	1.5
149.09506	0.4
149.13208	0.3
153.01807	1.0
153.05550	0.3
154.08600	1.2
154.15894	2.6
155.06989	0.9
164.10710	0.3
164.14288	0.4
166.15947	1.6
168.17438	0.9
172.09669	0.7
173.08075	1.2
173.13234	1.2
174.13553	0.5
178.15933	1.3
182.15390	0.4
196.16940	6.3
208.13423	0.6
214.17996	100.0
215.18272	1.2
226.14331	6.2
244.15434	4.6
248.34727	0.3
306.24908	0.4
319.24985	0.3
324.21600	3.0
342.22720	20.1
343.23010	0.5
376.23215	6.4
504.17932	0.3
504.26865	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	504.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	0.4
55.46936	0.3
56.05016	0.8
57.52792	0.3
58.06604	0.8
60.07875	0.5
60.08159	6.0
61.32272	0.3
62.04323	0.4
67.05486	1.2
68.05830	0.3
69.07057	0.5
69.48250	0.3
71.07374	2.2
79.05495	1.0
81.07056	1.6
86.09701	28.1
88.61134	0.4
91.05432	0.6
93.07021	0.6
95.08586	0.8
98.98465	2.3
104.10738	2.6
105.07034	0.4
107.08612	0.8
109.10141	0.6
119.08614	0.5
121.10134	0.4
121.35978	0.3
124.99995	18.2
127.80515	0.3
133.10110	0.5
143.00952	0.5
159.11739	0.4
173.13257	0.4
184.07329	100.0
203.52155	0.3
239.15941	0.3
344.88541	0.3
386.92462	0.3
486.29166	0.9
504.30164	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	504.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12555	0.3
55.05510	3.5
57.03408	0.6
57.07055	0.5
61.02917	0.5
67.05495	2.4
69.03432	2.0
69.07064	8.2
71.60690	0.4
73.02914	5.0
74.18642	0.3
79.05476	2.7
81.03412	0.6
81.07056	4.4
83.08606	1.4
85.02889	3.1
88.99802	0.4
91.05473	8.4
93.07028	3.9
95.04961	0.7
95.08601	5.6
96.08929	0.5
97.02879	1.5
99.58807	0.4
103.05460	0.5
105.07024	13.6
107.05016	0.4
107.08584	5.5
109.06544	0.6
109.10131	1.6
115.03913	0.5
117.07019	2.5
119.08576	28.7
121.06522	1.0
121.10139	4.0
123.11709	0.6
127.03910	0.5
131.08543	2.9
133.04939	0.5
133.10121	17.3
135.08014	0.9
135.11687	1.5
137.05952	0.6
137.09563	0.8
143.08597	0.4
145.10098	4.0
146.10977	0.5
147.11679	6.4
149.13243	1.0
150.07620	0.7
160.12424	2.7
161.09686	0.4
163.38269	0.4
171.56380	0.4
175.14815	100.0
176.15131	2.1
177.16379	6.5
193.15880	2.6
223.13329	0.9
273.65292	0.4
292.11453	0.4
306.24988	0.4
307.22229	1.8
457.83337	0.4
504.28375	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30965	0.4
53.03943	0.5
55.01869	0.6
55.05513	3.6
56.05016	0.4
57.03424	1.0
57.07036	0.5
59.04973	0.5
61.02907	0.7
67.05491	1.2
69.03429	4.3
69.07060	1.0
69.60758	2.9
71.08626	5.9
72.08146	1.1
73.02905	1.1
79.05486	0.7
81.03399	1.8
81.07037	3.5
83.04967	2.5
83.08574	0.4
84.08125	0.5
85.02895	5.5
86.05583	0.5
86.06068	7.5
91.05439	0.6
92.72328	0.4
93.07030	1.8
95.04992	0.5
95.08595	2.7
95.91541	0.4
96.08140	2.5
97.02890	3.3
97.06540	0.5
98.06033	0.5
98.09684	4.3
98.20686	0.5
99.04427	0.8
99.08086	5.0
101.06013	3.6
105.06999	1.3
107.08592	1.3
108.08081	1.3
109.02863	1.0
109.06461	0.6
109.10153	1.0
111.04438	3.6
114.09168	0.4
116.10722	20.5
119.08543	1.8
120.08934	0.4
121.10104	1.1
122.09669	0.8
123.04411	1.0
123.11647	0.5
123.34918	0.4
124.07565	0.6
125.02368	0.4
127.03921	3.0
129.05466	2.2
133.06429	0.5
133.10147	0.9
135.11710	0.6
136.11122	0.5
137.09549	0.5
139.03896	0.5
140.10663	0.8
142.08611	3.3
143.10649	1.9
145.04962	0.7
147.04402	1.1
147.06523	2.5
147.11681	0.9
153.01816	4.2
154.15924	2.0
155.07033	0.6
159.11707	0.5
164.10699	1.7
166.15883	2.5
168.17511	0.5
173.08110	1.5
178.15919	0.8
182.15367	1.9
190.12267	1.0
196.16960	6.1
197.08093	1.0
198.14772	0.8
203.17912	0.5
208.13301	1.3
214.18004	100.0
215.18384	1.5
226.14349	9.4
244.15428	31.6
245.15739	0.8
261.13065	0.6
315.06970	1.0
324.21640	0.8
342.22751	17.6
343.23047	0.5
358.13168	0.5
372.06909	0.4
376.23254	11.2
376.89905	0.4
388.19595	0.8
406.20779	5.0
487.42105	0.5
504.27768	6.3
504.35678	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.05505	4.4
56.96561	0.5
57.03405	0.6
57.07066	0.5
61.02894	0.7
62.06063	0.7
67.05509	1.0
68.64702	0.5
69.03429	3.9
69.07067	1.1
70.06593	0.8
71.04975	0.9
71.08268	0.8
71.08627	7.5
71.61540	0.7
72.08143	1.3
79.05505	1.2
81.03408	1.5
81.07042	2.5
83.04977	4.3
83.07339	0.5
84.08119	0.5
85.02905	5.1
85.06528	0.8
86.06062	14.7
86.07984	0.5
87.69553	0.5
91.05450	1.7
93.07030	2.0
95.04975	0.8
95.08580	2.3
96.08120	3.7
97.02879	2.3
98.06075	1.0
98.09679	8.5
99.04434	0.8
99.08077	6.7
100.07605	0.7
101.06001	4.0
105.07013	1.9
107.08595	1.4
108.08100	1.3
108.08855	0.6
109.02843	0.7
109.06523	0.9
109.10125	1.1
111.04452	4.2
114.09203	0.8
116.10722	21.8
119.04940	0.9
119.08595	3.8
121.10172	1.0
122.09599	0.6
123.04385	0.7
123.11671	0.8
124.07552	0.9
127.03909	2.4
129.05518	2.5
131.08560	0.5
133.10092	1.1
135.11702	0.6
136.11176	0.6
137.05942	1.2
137.09612	1.4
139.03961	0.6
142.07594	0.5
142.08630	9.4
142.12282	3.4
143.03392	0.5
143.10658	3.3
145.10103	0.9
147.04370	1.9
147.08020	0.6
147.11655	0.6
153.01814	3.5
155.07033	2.1
162.12776	1.1
164.10689	3.9
165.09096	0.6
166.08751	0.5
173.08057	1.1
180.13820	1.4
182.15335	4.1
184.13313	1.2
190.12238	4.3
191.14381	0.7
192.14694	0.5
196.16795	0.6
198.14882	2.7
198.16478	0.5
203.17996	0.6
204.39233	0.5
204.71373	0.6
208.13292	5.6
214.18013	6.6
215.24510	0.5
226.14368	32.9
243.12170	0.6
244.15433	100.0
245.15781	1.1
261.13281	1.5
268.68387	0.5
324.21643	3.3
342.22739	33.7
364.04071	0.6
388.19791	1.5
406.20740	8.5
464.57373	0.5
504.25085	5.1
504.33963	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01859	1.0
55.05504	6.7
57.03434	1.9
57.07072	1.1
59.04974	1.0
61.02923	2.1
65.03942	1.1
67.05504	5.8
69.03423	3.1
69.07062	14.4
69.87589	1.3
69.87907	5.2
70.06579	3.7
73.02907	8.3
79.05488	8.1
81.03417	1.5
81.07049	17.0
83.08617	5.4
85.02889	6.8
91.05467	25.0
91.42403	1.0
93.07036	10.3
95.04969	3.2
95.08598	22.2
96.08908	1.2
97.02883	5.0
103.05445	3.0
104.06237	1.4
105.07024	39.6
107.04928	1.5
107.08587	16.6
108.08138	1.0
108.08930	0.9
109.06544	1.0
109.10150	2.8
110.10497	0.9
115.03928	3.1
115.05476	1.3
117.07005	5.0
119.08572	91.9
120.08917	1.0
121.06478	2.4
121.10132	6.7
123.11737	1.0
127.03900	3.0
131.08551	4.2
133.04964	3.5
133.10124	51.9
134.10449	1.0
135.08046	1.7
135.11676	2.7
136.56560	0.8
137.05940	1.1
145.05000	3.9
145.10101	4.5
146.10867	1.3
147.04375	1.1
147.08029	1.0
147.11679	12.1
153.01872	1.6
153.89214	0.9
160.12492	1.4
163.06013	1.6
173.13269	1.3
175.14816	100.0
176.15178	2.2
192.17465	9.5
193.15855	3.2
205.15776	1.3
209.11722	1.5
215.14235	0.9
223.05948	1.2
259.08133	1.5
295.10324	1.7
307.22610	4.7
386.16190	0.8
442.07101	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12555	0.3
55.05510	3.5
57.03408	0.6
57.07055	0.5
61.02917	0.5
67.05495	2.4
69.03432	2.0
69.07064	8.2
71.60690	0.4
73.02914	5.0
74.18642	0.3
79.05476	2.7
81.03412	0.6
81.07056	4.4
83.08606	1.4
85.02889	3.1
88.99802	0.4
91.05473	8.4
93.07028	3.9
95.04961	0.7
95.08601	5.6
96.08929	0.5
97.02879	1.5
99.58807	0.4
103.05460	0.5
105.07024	13.6
107.05016	0.4
107.08584	5.5
109.06544	0.6
109.10131	1.6
115.03913	0.5
117.07019	2.5
119.08576	28.7
121.06522	1.0
121.10139	4.0
123.11709	0.6
127.03910	0.5
131.08543	2.9
133.04939	0.5
133.10121	17.3
135.08014	0.9
135.11687	1.5
137.05952	0.6
137.09563	0.8
143.08597	0.4
145.10098	4.0
146.10977	0.5
147.11679	6.4
149.13243	1.0
150.07620	0.7
160.12424	2.7
161.09686	0.4
163.38269	0.4
171.56380	0.4
175.14815	100.0
176.15131	2.1
177.16379	6.5
193.15880	2.6
223.13329	0.9
273.65292	0.4
292.11453	0.4
306.24988	0.4
307.22229	1.8
457.83337	0.4
504.28375	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3729
Annotation	25-O-Methylcimigenol
Peak:m/z	Relative Intensity
53.03942	3.8
55.05506	24.0
57.03434	2.4
57.07064	5.7
65.03922	2.3
67.05501	49.7
68.66550	1.2
69.07063	17.5
69.50506	1.4
71.04988	4.9
71.08622	2.3
71.60489	1.8
71.60859	2.0
79.05486	25.9
81.03414	19.9
81.07050	69.2
83.08617	15.1
85.06542	9.0
89.06039	2.0
91.05469	22.5
93.07039	26.1
95.04959	7.6
95.08586	20.6
97.06571	1.8
97.10129	7.6
105.07009	15.3
107.04939	1.8
107.08589	11.6
109.06548	3.8
109.10150	11.7
111.08081	2.8
111.11755	2.4
117.07015	3.4
119.08568	13.3
121.06535	2.1
121.10149	12.0
123.11665	11.1
125.09646	1.5
129.07018	3.1
131.08563	9.7
133.10138	11.7
135.08063	1.6
135.11719	5.9
143.08557	2.3
145.10138	6.2
147.11734	4.8
149.09637	1.6
149.13300	2.0
151.11211	5.0
153.12659	1.5
157.10158	2.2
159.11746	4.7
161.13152	2.9
163.14821	1.5
171.11685	2.3
173.13261	2.1
175.11235	2.3
182.83870	1.5
185.13316	2.7
187.13277	7.6
187.14833	2.0
193.12236	7.2
213.16649	1.3
234.51180	1.3
249.14940	2.3
261.22217	2.9
299.23380	1.6
411.32504	1.9
419.54745	1.7
485.36575	2.5
503.37399	100.0
504.37729	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	504.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.3
50.21148	0.3
51.02360	0.4
53.03931	0.5
54.58797	0.2
55.05496	0.3
57.03429	0.5
67.05502	0.4
69.03419	2.9
69.07053	0.3
71.04990	0.4
71.08628	2.7
71.60377	0.4
73.02888	0.6
75.39680	0.3
75.57640	0.2
79.01854	1.9
79.05471	0.3
81.03412	5.4
81.07043	0.7
83.08614	0.3
85.02899	4.4
85.06522	0.3
91.05485	0.4
93.07061	0.6
95.08598	0.7
97.02890	3.8
99.04465	0.7
99.08089	4.3
105.06960	0.3
107.01302	1.3
107.08581	0.6
109.02872	5.5
110.10465	0.4
113.28163	0.3
119.54496	0.3
123.04401	0.7
125.02335	3.6
127.03907	7.1
129.12759	0.6
133.10114	1.2
135.08018	0.6
136.17310	0.3
137.05992	0.4
143.03381	3.8
145.04912	0.5
153.01816	100.0
154.02167	0.8
171.02876	12.3
173.15384	2.1
175.14775	0.3
185.09825	0.3
197.48744	0.3
263.50217	0.3
275.46051	0.3
279.04947	0.7
281.17432	0.4
297.06024	3.5
315.07068	21.7
504.33258	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.6
55.05512	29.5
57.07074	9.8
67.05505	12.9
69.06721	2.6
69.07069	32.0
71.08636	7.5
71.60107	1.6
77.45486	1.1
79.05475	8.7
81.03416	67.0
81.07058	10.6
83.04953	3.3
83.08619	37.4
85.10199	3.7
91.02164	1.3
91.05460	12.0
91.93657	1.3
93.07040	8.4
95.04969	18.0
95.08627	4.5
97.02913	1.8
97.10172	24.8
105.07030	12.3
105.18012	1.1
107.04980	4.5
107.08609	3.7
109.06537	1.4
109.10143	1.7
111.08076	6.7
111.11688	9.2
115.05444	1.5
119.08560	9.4
121.06515	2.0
121.10159	3.9
123.11685	1.3
125.13215	2.1
129.07037	6.4
131.08577	6.2
133.06532	1.6
133.10164	3.5
142.07787	1.8
144.25682	1.3
145.10155	1.5
147.08043	2.5
147.11699	6.4
149.09650	3.5
157.10152	6.8
160.99997	1.3
175.11197	9.0
193.12236	28.7
231.13956	1.6
236.57571	1.5
237.22253	2.6
249.14822	7.9
354.37534	1.4
503.37433	100.0
504.37836	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	503.1889
Annotation	Syringylresinol diacetate
Peak:m/z	Relative Intensity
58.26242	0.4
69.36497	2.5
69.36925	1.8
72.08141	0.8
75.55885	0.4
85.02894	0.8
94.42451	0.4
119.08620	0.8
123.04468	0.8
135.11642	0.6
137.05992	1.3
146.99599	0.4
147.04428	0.5
153.01804	4.0
176.56967	0.4
209.15453	0.5
237.02869	0.6
299.06006	0.6
503.18829	100.0
504.19312	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2615
Annotation	Tiegusanin A
Peak:m/z	Relative Intensity
50.96611	0.5
55.05494	1.3
67.05487	2.4
69.07050	2.4
69.37407	0.6
75.39157	0.5
79.05472	2.2
81.07052	3.6
83.04953	1.1
83.08611	0.7
85.02896	0.7
91.05447	1.3
93.07035	1.6
95.04939	1.3
95.08582	2.3
97.06543	0.6
105.07018	2.1
107.04932	0.9
107.08582	1.9
109.06535	0.5
109.10126	2.2
119.04852	0.7
119.08567	2.3
121.10149	1.8
123.04371	0.8
124.19538	0.5
131.04863	0.5
131.08479	0.6
133.10129	1.4
135.11678	0.7
139.03885	0.8
145.10129	1.0
147.04330	0.9
147.11673	1.1
157.10121	0.8
159.11717	1.4
161.13235	0.7
163.11256	0.7
167.05539	0.9
171.11717	0.7
173.13281	0.9
195.13690	0.5
203.05235	1.6
229.61377	0.6
243.13638	0.6
276.35794	0.5
277.85318	0.5
299.06342	0.7
323.19797	20.4
341.20752	1.3
346.58398	0.6
355.18866	0.5
373.77939	0.6
397.39160	0.7
458.20670	0.6
503.26068	100.0
504.26526	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	7.2
57.07073	80.6
59.05000	0.9
64.12886	0.8
67.05486	3.4
69.07050	3.9
70.20121	3.1
79.05482	1.5
81.07058	6.6
83.04939	1.3
83.08603	3.9
85.06538	100.0
86.79268	1.0
91.05466	2.2
93.07044	2.5
95.04948	1.5
95.08629	4.2
97.10159	8.1
99.08109	0.9
103.52338	0.8
105.07014	2.8
107.08591	1.8
109.06509	7.4
109.10139	3.7
119.08578	3.6
121.06487	2.2
121.10150	1.8
123.08066	0.8
123.11697	5.6
124.12866	0.9
129.07005	1.1
131.08519	1.3
133.10117	2.8
135.08055	3.4
141.12709	1.0
145.10117	2.4
147.11726	2.3
149.09607	1.0
151.11185	0.8
155.14259	1.0
159.11684	2.4
161.09621	2.7
165.27682	0.8
175.11113	1.2
179.75148	0.8
187.14809	2.1
197.18993	50.1
233.19055	1.3
275.20120	1.3
287.23608	1.6
305.24734	93.3
306.24939	1.8
323.25653	6.8
412.83997	1.0
502.42853	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	4.4
55.05497	12.0
57.07073	91.6
59.30061	3.7
67.05499	14.4
68.22530	3.8
69.03413	5.2
69.07055	12.0
69.29333	25.2
69.29763	20.5
79.05454	9.3
81.03438	5.6
81.07063	30.2
83.04974	80.7
83.08597	4.4
85.06536	75.2
85.07012	6.2
91.05483	8.1
93.07050	14.9
95.04968	7.5
95.08626	27.0
97.02853	4.1
97.10149	7.5
105.07028	26.6
107.08601	16.6
107.64913	3.5
109.06499	4.0
109.10145	22.3
117.07069	5.6
119.08562	42.2
121.10144	12.3
127.11291	4.7
131.08589	14.5
133.10098	8.4
135.08041	16.5
142.07765	7.5
143.08517	8.7
145.10115	30.0
147.11707	11.0
149.67445	3.8
157.10136	57.2
159.11681	30.3
161.13223	6.4
171.11713	10.6
173.13293	5.3
185.13275	10.5
187.14821	100.0
189.16431	11.5
191.49747	4.9
195.17480	15.2
199.14795	4.2
201.16370	5.8
203.18100	3.9
207.69969	4.0
211.16986	12.3
213.16380	18.5
238.44327	4.0
269.22665	25.8
285.10001	5.6
287.23639	76.0
305.21518	4.4
305.24655	19.3
337.17020	4.0
503.13135	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	502.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00985	0.9
52.32225	0.9
53.03925	1.1
55.01867	2.3
55.73551	0.8
56.96545	0.9
57.03437	5.3
58.54452	1.0
61.02933	4.8
67.05499	1.1
69.03429	13.6
69.07053	1.3
71.60711	1.8
73.02914	28.7
75.79983	0.8
79.05477	1.5
81.03416	2.2
81.07064	5.0
85.02906	34.4
85.06506	1.0
87.04474	1.1
91.03945	1.7
91.05487	3.1
91.47359	0.9
93.07027	2.4
95.04981	1.4
95.08591	2.6
97.02890	22.9
99.04438	1.9
103.03926	1.1
105.07007	3.6
107.04939	1.6
107.08600	2.0
108.64143	1.0
109.02873	3.4
109.10152	1.3
115.03937	12.6
117.07064	0.8
119.08526	1.8
121.06485	0.9
121.10123	1.4
123.04441	5.5
124.04799	1.6
127.03909	13.2
131.08565	34.9
133.04968	12.1
133.10063	0.9
135.11682	2.1
139.03862	1.9
143.08528	1.2
145.04958	16.8
145.10094	2.4
147.04388	1.6
150.07661	1.4
153.01849	3.5
158.10959	1.3
159.11591	1.2
163.05980	6.9
171.11699	2.9
173.13261	100.0
174.13689	0.9
175.14839	1.1
177.05409	1.2
217.06825	1.0
223.05998	3.9
241.07019	4.3
259.08151	7.7
273.07675	1.2
277.09177	1.6
287.16559	1.8
291.19373	1.1
295.10358	2.6
305.17514	2.2
353.19431	1.2
502.26678	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	502.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.7
57.03432	6.4
57.07066	0.6
58.95707	0.5
59.04992	0.7
61.02918	5.2
62.22347	0.4
67.05493	1.1
69.03426	14.7
69.63693	1.6
69.64102	1.1
71.01331	1.3
71.04970	1.2
73.02914	32.1
75.35340	0.4
76.92688	0.4
78.46726	0.3
79.05476	0.8
81.03412	2.8
81.07039	1.6
83.04946	0.9
85.02901	34.4
85.06511	0.7
87.04488	1.8
91.03939	1.3
91.05470	1.8
92.31579	0.4
93.07024	1.6
95.08610	0.7
97.02888	25.0
98.20702	0.4
99.04428	1.8
100.53501	0.4
103.03933	1.2
105.07013	1.9
107.04942	0.6
107.08585	1.5
108.55510	0.4
109.02863	3.0
111.73313	0.4
115.03921	11.8
119.04967	0.5
119.08563	0.9
121.06560	0.5
121.10072	0.4
123.04405	1.4
124.04747	0.5
125.09648	0.6
127.03912	12.9
129.06973	0.9
130.06487	0.4
131.08562	31.6
133.04959	11.8
133.10083	0.9
135.07983	0.8
135.11668	1.1
137.06006	0.5
139.03836	0.7
143.08574	1.2
144.09239	0.4
145.04948	15.1
145.10109	2.8
147.04340	0.5
150.07596	1.7
151.03886	0.8
153.01837	1.4
157.04901	0.5
157.10118	0.7
158.10905	1.1
159.11574	0.4
161.13106	0.5
163.06023	5.4
163.07378	0.6
171.11682	2.7
173.13252	100.0
174.13599	1.5
181.04942	0.5
185.13239	1.2
189.12836	0.6
193.04944	1.0
199.06007	1.0
217.07121	0.8
223.06001	3.2
241.07065	4.1
259.08130	6.9
262.04181	0.4
277.09164	1.6
287.16400	1.6
291.19464	1.1
295.10263	2.6
305.17590	2.0
353.19611	1.6
370.22195	0.4
370.77805	0.5
502.25940	3.1
508.62057	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
53.30651	0.6
55.05495	1.6
57.03436	0.7
65.03942	0.5
66.80602	0.4
67.05490	2.2
69.03433	3.5
69.07066	0.9
70.06597	1.2
70.87067	1.5
71.04989	2.5
73.94899	0.4
79.01837	2.3
79.05492	3.1
81.03422	5.5
81.07043	2.1
84.08121	0.5
84.22150	0.5
85.02905	4.0
85.06539	1.7
91.05473	6.1
91.95171	0.5
93.07037	21.9
95.04945	1.5
95.08566	0.9
97.02901	4.2
97.06553	0.8
105.07018	3.6
107.01299	1.7
107.08592	25.3
108.08900	0.6
109.02877	5.0
109.06503	1.1
109.10142	1.4
110.03194	0.5
123.04361	0.8
125.02333	3.2
126.02598	0.5
127.03915	7.2
128.64014	0.6
133.10114	1.7
134.10451	1.4
135.11684	17.3
143.03412	4.6
145.04991	1.3
151.11217	0.9
152.11494	0.6
153.01822	100.0
154.02151	11.6
155.02185	0.8
162.02875	0.5
169.12234	2.0
170.12524	1.0
171.02888	10.9
172.03217	1.4
187.13300	4.7
188.13651	3.2
257.04480	0.5
279.05011	0.7
297.06061	5.3
298.06390	1.4
315.07086	14.0
315.10748	0.8
316.07431	3.8
350.11407	1.0
356.17606	1.6
502.23419	25.3
503.24161	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12519	0.4
53.03933	1.0
55.05493	1.2
57.03423	0.5
59.05000	0.5
65.15340	0.5
67.05508	0.8
69.03410	2.2
69.07050	1.3
69.32891	5.3
71.04993	10.5
73.06574	2.7
77.36831	0.5
78.22974	0.5
78.98242	0.5
79.01842	1.5
79.05499	2.5
81.03425	3.4
81.07055	13.4
85.02909	4.5
91.05457	0.7
93.07038	7.8
95.08585	1.6
97.02885	3.3
97.06519	0.8
107.01309	1.2
107.08583	6.9
109.02879	5.0
109.10191	1.2
125.02335	2.8
127.03918	8.3
135.11682	15.5
143.03423	2.8
145.04971	0.6
153.01826	100.0
153.12743	74.3
154.02101	0.8
154.13078	0.9
171.02892	15.2
226.30150	0.5
263.98022	0.5
279.05011	1.6
297.06033	5.8
315.07083	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3572
Annotation	Serjanic acid
Peak:m/z	Relative Intensity
55.05510	1.5
57.03439	0.9
67.05494	3.4
69.07060	3.3
75.13289	0.5
79.05482	2.1
81.07055	6.7
83.04974	3.0
83.08627	1.3
91.05462	2.8
93.07039	5.6
95.04942	1.0
95.08599	9.8
97.06541	0.7
97.10186	0.6
105.07018	9.2
107.08598	7.6
109.06517	1.3
109.10144	8.1
111.08086	0.6
117.07032	1.2
119.08582	10.3
121.06495	1.4
121.10141	7.2
123.08092	1.1
123.11719	2.2
127.89189	0.5
129.07053	1.0
131.08505	2.8
133.06538	0.8
133.10126	10.8
133.11066	0.7
135.08081	1.9
135.11684	4.4
137.09599	1.1
137.13269	1.0
143.08562	2.2
145.06436	0.8
145.10112	6.4
147.08035	0.8
147.11647	5.2
149.09636	1.2
149.13235	2.6
151.11227	1.2
155.08548	1.2
157.10167	2.6
159.07959	0.8
159.11687	3.2
161.09642	3.3
161.13234	2.7
163.11186	0.7
163.14810	3.7
167.56674	0.6
169.10172	1.2
171.11685	2.7
173.09607	1.3
173.13216	4.6
175.11188	1.6
175.14819	7.8
177.09120	0.5
177.16420	2.3
182.10934	0.6
183.11688	1.6
185.09660	0.6
185.13269	1.2
187.11174	0.6
187.14792	5.7
189.12770	3.0
189.16380	15.2
189.18083	1.0
191.14354	1.4
193.15660	0.6
197.13266	2.3
199.14795	3.2
201.16356	1.4
205.15907	1.1
207.17578	0.6
211.14862	1.4
213.16412	1.5
215.14313	5.8
215.17886	1.3
217.15883	3.1
221.77710	0.5
225.16368	0.6
227.18036	1.5
228.04514	0.5
229.15916	1.0
229.19524	0.6
231.17424	1.0
233.15338	2.8
235.16986	0.7
239.17853	0.9
241.19400	1.0
243.17499	1.3
243.21185	0.8
251.16472	2.3
253.19572	2.1
256.26401	0.6
257.19156	0.8
271.20483	2.8
279.21097	0.7
297.22055	1.1
311.23642	1.5
379.29846	1.2
387.30627	1.9
393.31589	2.6
405.31491	11.7
423.32578	13.5
423.37003	0.5
441.33630	23.6
444.31543	0.6
447.32898	1.3
453.33878	3.7
465.33676	5.4
483.34793	15.7
501.35745	100.0
502.36172	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
54.03463	0.8
58.06598	0.8
60.75459	0.4
66.20614	0.4
68.99790	1.8
69.07071	0.6
70.06588	100.0
71.01344	0.6
71.60353	0.6
79.05481	0.7
81.03407	0.7
81.07033	0.8
85.02903	0.7
86.09677	0.6
91.05475	1.6
93.07040	1.8
95.04971	0.9
97.02901	0.9
103.05456	1.0
105.07035	1.1
107.04957	1.3
107.08595	1.5
109.02888	0.5
119.04926	1.0
121.06502	3.3
123.03053	0.5
123.04424	14.0
127.03943	0.6
131.04916	0.9
133.06499	1.7
135.04422	2.6
135.11679	6.0
140.05228	0.5
143.03340	0.5
147.04402	5.3
149.05960	6.8
153.01787	3.0
154.08723	0.4
159.04453	0.9
161.05981	3.4
163.03905	0.6
165.05476	4.4
170.06377	2.7
173.06052	0.8
175.07545	0.8
177.05458	68.0
179.07069	0.5
188.07310	0.5
189.05458	6.1
193.08499	0.4
201.05359	0.5
207.06419	0.5
234.09088	0.4
234.11223	2.0
303.01379	0.8
311.09177	5.5
329.10172	2.0
341.02698	0.9
368.15018	0.6
408.37622	0.4
445.14932	4.4
502.20682	79.6
503.07971	8.3
503.20786	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1965
Annotation	Rolapitant
Peak:m/z	Relative Intensity
51.02371	0.5
53.03141	0.5
53.03935	0.7
55.01868	0.7
55.05501	0.5
57.03436	0.9
59.92172	0.4
67.05506	2.9
69.03429	2.4
71.04995	4.4
71.45126	1.0
79.01830	2.3
79.05481	0.8
81.03409	3.6
81.07044	2.4
82.64850	0.4
83.04974	0.5
85.02903	4.4
85.06540	6.2
89.65696	0.5
91.05456	2.1
93.07041	1.2
97.02884	2.6
99.04383	0.5
104.85875	0.4
105.07006	1.9
107.01302	2.1
107.08604	3.0
109.02866	5.2
109.10136	3.7
115.17856	0.5
119.57612	0.5
120.30432	0.4
123.04422	1.0
125.02323	3.7
127.03918	7.5
131.72820	0.4
133.10121	7.5
135.11633	0.5
143.03432	4.3
151.11168	7.3
153.01819	100.0
154.02165	0.7
169.12215	6.6
171.02881	11.7
187.13287	20.5
279.04944	2.0
297.05930	2.5
315.07098	16.8
349.11014	3.8
355.17224	6.6
433.64435	0.5
433.85678	0.6
501.23038	71.7
502.23157	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3056
Annotation	Tricalysioside T
Peak:m/z	Relative Intensity
51.02373	0.5
53.03940	1.1
55.01861	1.4
55.05507	4.1
55.53553	0.6
57.03414	0.8
57.07077	2.9
57.72208	0.5
67.05506	7.6
69.03422	9.8
69.07058	4.2
69.40998	5.3
72.66185	0.5
76.79008	0.6
77.03878	0.6
79.05479	2.6
81.07053	10.3
83.04976	2.3
83.08609	1.8
85.02888	1.3
85.06535	21.3
91.05466	3.1
93.07037	7.0
95.04943	2.4
95.08604	12.7
97.02891	0.5
97.06530	1.0
97.10144	2.5
98.20710	0.9
98.97639	0.6
99.08085	2.3
105.07026	6.7
107.08589	12.7
109.02857	0.6
109.06507	14.8
109.10165	4.4
111.08073	3.4
115.05421	1.4
117.07030	1.9
119.08582	5.5
121.06499	14.9
121.10134	6.9
123.04420	4.6
123.08035	1.8
123.11679	1.6
125.09626	11.9
131.08566	2.3
133.10132	3.3
135.08043	100.0
135.11620	3.4
136.08376	1.1
137.09644	1.3
137.13269	0.7
139.03897	2.5
139.11177	1.5
143.08522	0.9
145.10101	3.8
147.08029	1.9
147.11694	2.1
149.09660	2.8
149.13234	2.1
151.03893	0.6
151.11203	0.7
153.01819	0.7
157.10138	1.9
159.08043	1.4
159.11673	3.8
161.09596	6.6
161.13275	2.7
163.11166	2.0
163.14815	0.9
165.12721	0.6
167.14333	0.8
169.10194	1.2
171.11682	1.8
173.09619	3.2
173.13268	3.3
175.11218	4.5
175.14778	1.2
177.05434	1.0
177.12761	0.7
177.16385	2.2
183.11737	0.7
185.13272	0.9
187.11226	1.3
187.14828	1.2
189.12775	1.6
201.16397	1.3
203.14276	1.1
203.18126	0.6
211.14722	1.4
213.16306	1.3
215.14285	0.8
219.17464	0.7
227.18002	1.5
229.15846	4.5
267.21060	2.0
285.22119	5.5
303.23169	52.7
304.23615	1.1
321.24219	61.1
322.24606	1.7
428.11557	0.7
501.23550	1.0
501.30515	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.05510	31.5
57.07078	10.0
67.05500	9.3
69.03404	1.0
69.07062	19.6
69.63187	2.8
69.63615	3.4
71.04985	0.9
71.08628	2.0
73.06543	3.3
75.15952	0.8
76.01192	0.8
79.05485	2.3
80.37180	0.7
81.03439	0.8
81.07052	14.5
83.04977	3.6
83.08613	65.3
85.02891	1.5
85.06571	1.1
87.04465	4.8
89.06027	100.0
91.05466	2.4
93.07050	4.5
93.59982	0.8
95.08601	14.7
97.10165	20.5
105.07042	2.7
107.07068	5.6
107.08595	2.5
107.87495	0.7
108.63776	0.8
109.06519	0.9
109.10159	11.7
117.09141	3.3
119.08556	1.7
121.10125	2.0
123.04417	2.3
123.11704	2.7
130.08665	2.2
131.07036	1.6
133.08600	60.8
133.10187	2.0
135.11726	1.0
139.03911	1.7
142.73441	0.8
143.08534	1.3
147.08035	0.9
147.11687	1.0
151.09679	1.7
153.01759	1.2
159.11710	0.9
163.14755	0.9
165.16425	1.8
177.05592	1.0
177.11223	24.8
195.12201	2.2
221.13788	5.1
223.15302	1.1
227.20041	11.3
239.14877	4.2
258.20392	0.9
271.22675	12.9
275.13705	0.8
283.17581	4.7
295.16556	1.1
327.20117	19.8
333.26422	1.0
377.28885	3.3
421.31610	2.6
465.34241	61.2
466.34552	1.7
483.34970	4.4
500.30698	1.7
500.37314	4.4
501.32373	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19528	2.3
51.76313	1.9
57.03429	3.6
57.89202	1.8
61.02916	2.2
61.26527	1.8
69.03422	15.4
71.04961	2.0
71.60802	4.0
79.66060	1.9
81.03411	8.9
85.02904	12.5
89.15408	1.8
91.05464	2.8
94.19057	1.8
97.02887	19.5
97.50744	2.3
99.00816	3.1
99.04446	8.5
103.78548	2.1
109.02866	4.6
111.04462	1.9
119.04964	3.6
127.03913	11.9
135.04440	2.6
137.05920	2.3
139.03900	4.5
146.06038	3.0
147.04398	9.0
153.01884	5.5
163.03835	3.1
165.01848	7.9
165.05437	2.8
167.03392	4.7
175.03874	5.9
177.01930	2.6
177.05429	4.0
179.03410	3.9
181.01355	5.6
183.02844	10.1
188.07071	6.2
191.03340	12.2
193.01334	12.0
193.04965	3.1
195.02907	6.0
203.03368	46.8
205.01332	3.3
205.04936	5.3
207.02916	4.5
209.04530	1.9
211.02405	6.8
219.02882	51.4
221.00790	12.2
221.04443	6.0
223.02377	8.7
231.02977	10.1
233.00812	6.6
239.01834	3.5
247.02359	76.8
249.03922	9.7
265.03229	10.3
275.01859	35.6
275.04651	3.9
293.02893	49.0
303.01202	5.2
311.03860	4.3
321.02441	18.0
339.03436	100.0
357.04611	15.7
419.93469	2.0
465.06625	2.4
472.97043	2.4
483.07321	4.4
501.12073	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	500.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89399	0.5
53.03933	1.2
55.05510	11.8
57.07066	3.8
59.04993	1.3
63.34053	0.5
67.05499	2.6
69.03435	0.9
69.07079	3.2
70.23364	2.5
79.05495	1.4
81.03412	0.8
81.07059	4.7
83.04976	100.0
83.08632	1.2
84.05324	0.7
85.06538	2.3
91.05484	1.6
93.07043	1.9
95.04975	1.0
95.08595	4.6
97.10173	5.7
99.08115	0.6
105.07028	2.1
105.68224	0.5
107.08586	3.5
109.06523	3.0
109.10144	1.3
112.11236	2.1
115.05520	0.5
117.06989	1.4
117.09138	0.7
119.04955	1.0
119.08592	1.7
121.06481	5.0
121.10154	2.4
123.08085	0.7
125.09663	1.1
129.13881	1.7
131.08636	1.0
133.10146	1.4
135.08044	33.6
137.13229	0.8
139.11301	0.6
145.10153	1.1
147.04391	7.8
147.08055	1.6
147.11699	1.5
148.04762	2.9
151.07550	0.8
151.11191	1.1
159.08022	1.5
159.11676	1.4
160.02760	0.6
161.09586	2.6
163.11195	0.7
171.11632	0.6
173.09601	3.5
175.11232	0.5
180.13901	1.1
187.11195	0.9
187.14899	0.9
195.17421	9.8
201.16376	1.4
203.14330	1.5
204.10236	4.7
205.10472	2.6
208.16933	5.1
209.17339	3.5
211.14838	0.8
219.17445	0.7
229.15848	12.2
247.16989	2.6
275.17599	2.5
276.17853	2.1
279.24246	2.6
280.24536	3.6
285.22238	1.1
291.06473	0.5
303.23163	64.5
304.23575	1.8
321.24182	5.6
385.45972	0.6
482.35446	0.9
500.36810	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	500.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34878	0.5
55.05508	1.0
57.07073	30.2
63.59410	0.4
67.05493	1.1
69.03420	1.4
69.07061	5.5
70.14359	1.0
70.14751	1.2
71.08627	47.5
73.06556	8.4
75.82169	0.5
79.05499	1.7
83.04955	0.7
83.08612	1.3
87.04468	4.5
89.06026	100.0
91.05462	2.4
91.07578	1.0
93.07034	1.4
95.08594	1.1
105.07032	2.7
107.07061	4.3
107.08595	1.0
109.35430	0.5
111.11723	0.8
113.13245	4.2
117.07019	0.6
117.09126	5.7
119.08579	1.3
121.10203	0.7
129.07030	0.6
130.08636	3.2
131.07047	1.6
131.08577	0.8
133.06488	1.6
133.08594	52.6
133.10213	1.3
135.10162	1.3
136.81416	0.5
145.10117	1.2
147.11676	1.3
157.15871	7.7
157.17102	0.8
161.11761	1.5
171.11604	0.6
175.09753	1.2
175.11224	1.6
177.11212	24.4
182.91254	0.5
183.91043	0.5
194.71890	0.5
198.18582	2.1
201.18489	16.6
207.11617	0.5
220.22614	0.5
221.13849	4.6
223.11174	0.7
223.15546	0.6
235.11336	0.6
239.14980	1.9
245.21135	10.2
247.11131	0.6
263.14377	1.1
265.16415	1.0
276.11523	0.6
281.15320	0.5
283.17407	3.2
289.15790	0.5
291.13855	0.6
309.14926	1.4
317.14420	0.5
327.16718	0.6
327.20224	2.0
353.21844	0.6
371.22778	7.9
395.30081	1.5
439.32532	2.0
457.73993	0.4
465.23618	0.7
465.29877	0.5
483.25027	1.9
483.35300	23.6
500.37863	4.2
501.26498	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	499.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01855	1.0
55.05504	2.0
56.05022	0.3
58.06592	2.6
65.03921	0.7
67.05495	9.3
68.05000	0.9
69.03407	0.4
69.06721	0.4
69.07066	5.1
70.16908	1.3
71.04974	0.6
72.08153	2.1
79.05489	2.0
81.03410	8.4
81.07053	8.3
83.04974	2.4
83.08630	0.8
84.04501	3.8
84.08138	9.0
91.05476	6.4
93.07029	2.2
94.06566	0.5
95.04961	5.4
95.08588	1.8
96.04486	1.2
97.10162	1.1
98.06052	2.4
98.09669	1.2
104.09413	0.3
105.07029	1.6
107.04935	0.4
107.08572	1.6
109.06538	1.4
109.10159	1.8
110.06012	1.3
110.09644	0.8
112.07579	0.3
112.11234	27.8
117.72016	0.3
119.04929	13.2
119.08522	0.7
121.06461	0.5
121.10143	1.4
123.08022	0.3
123.11702	2.7
124.07583	1.4
129.13872	19.5
133.10135	2.7
135.11661	0.5
138.09129	0.7
145.10141	0.5
147.04398	99.5
148.04755	0.6
150.09157	0.3
151.09984	0.5
151.11156	9.1
152.14340	1.3
153.01767	0.5
155.11781	2.5
161.09546	0.3
161.96425	0.3
163.11240	0.5
175.07353	0.3
180.13815	14.6
200.37122	0.3
203.11792	0.9
204.10187	65.5
205.10486	0.6
207.18567	1.6
208.16949	74.1
209.17308	1.0
232.66321	0.3
275.17514	54.9
276.17804	0.5
279.24289	54.4
280.24527	0.7
353.32739	1.3
392.07431	0.4
425.27158	0.3
481.35413	5.7
499.36414	100.0
500.16449	0.4
500.36685	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65810	1.5
55.05506	12.4
59.04992	2.4
64.54040	1.5
67.05494	9.7
69.07053	5.8
70.00366	6.8
72.08147	1.5
79.01851	1.3
79.05492	3.7
81.03424	4.6
81.07053	8.5
83.04977	100.0
83.08614	3.1
84.04485	2.0
84.08144	5.0
85.02899	2.4
87.26895	1.2
89.06033	3.9
91.05479	4.8
93.07045	6.3
95.04971	3.5
95.08604	4.8
96.08131	1.6
99.04452	2.0
105.07050	6.3
107.08584	3.6
109.06535	1.9
109.10165	4.9
110.06071	1.9
110.06838	1.4
112.11244	11.0
113.11600	4.7
115.45713	1.3
119.04946	6.4
119.08590	6.4
120.05283	3.0
121.10183	2.7
123.04501	1.6
123.11713	1.9
127.75398	1.5
129.13878	5.4
130.14230	1.6
131.08572	3.3
133.08607	2.2
133.10159	3.5
139.03923	2.4
143.08604	1.4
145.10121	4.0
147.04407	56.5
147.11685	2.1
148.04742	21.7
148.05809	2.1
151.11185	5.0
152.11526	2.6
153.01874	1.9
157.10045	2.3
159.11705	3.8
169.10196	2.4
177.05450	2.7
177.11154	1.7
180.13863	5.5
181.14166	2.5
183.11745	2.2
185.13277	3.3
187.14819	20.9
196.06714	1.7
199.29718	1.5
201.16426	1.9
204.10188	34.5
205.10536	23.3
208.16962	28.8
209.15459	3.2
209.17279	19.6
211.14900	2.5
229.16039	2.1
246.85666	1.3
267.21179	5.1
275.17526	12.0
276.17825	18.4
279.24277	13.8
280.24667	19.6
285.22134	6.1
303.23221	3.4
327.20261	1.8
397.71426	1.5
469.10852	1.5
482.29376	1.7
482.35880	4.5
500.36789	71.0
501.26123	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
54.11747	0.4
55.01863	0.6
55.05513	2.1
57.03402	0.6
58.06596	4.6
65.03928	1.1
67.05498	5.8
68.05015	0.6
69.03421	1.3
69.07073	3.4
69.72983	3.0
69.97959	0.4
71.04982	0.7
71.89991	0.4
72.08145	3.3
79.05489	2.0
81.03416	4.2
81.07047	5.5
82.12235	0.4
83.04987	4.0
83.08601	0.9
84.04491	1.2
84.08138	15.2
85.02895	1.4
85.06522	0.8
87.04436	0.5
91.05473	8.1
93.07032	2.8
95.04965	3.4
95.08612	2.9
97.02879	1.0
97.06519	0.4
97.10162	0.7
98.06036	0.7
98.21495	0.6
105.07045	2.8
107.04930	0.9
107.08596	2.4
109.02888	0.6
109.06488	2.5
109.10152	2.0
110.06040	0.8
110.09647	0.4
111.04433	0.6
111.08036	0.6
112.11235	46.5
113.09643	1.0
117.07000	0.5
119.04935	17.5
119.08566	2.1
121.06479	1.7
121.10127	1.4
123.04416	11.2
123.11681	2.8
124.07558	1.1
125.09637	0.5
127.03867	0.5
129.13866	30.5
131.08530	0.6
133.10124	1.9
135.04376	0.4
135.08026	3.9
135.11665	0.6
137.06004	0.6
139.03886	8.5
139.04892	0.7
139.11188	0.6
141.36298	0.4
145.10110	1.5
147.04396	48.3
147.11710	1.0
148.04813	0.4
149.09708	0.8
149.13239	0.7
151.03952	0.7
151.11165	6.4
152.14392	0.5
153.01828	3.8
157.10078	0.5
159.08076	0.7
159.11705	1.1
161.09624	0.6
161.13258	0.5
163.03870	0.7
163.07454	0.5
165.05420	0.9
167.07004	1.1
169.10104	1.4
170.10480	0.9
173.09650	0.6
173.13234	0.8
175.11206	0.4
177.05493	0.6
179.10776	0.4
180.13849	4.9
183.11584	0.5
203.14346	0.8
204.10194	6.0
207.18576	3.1
208.16953	36.5
209.17354	0.4
218.11847	0.7
221.15373	1.8
227.14325	0.8
229.15961	0.5
230.79579	0.4
273.07590	2.0
274.07886	0.4
275.17496	2.8
279.24280	14.0
301.21585	1.7
314.11890	0.5
319.22656	2.3
326.57733	0.4
335.31738	1.1
352.98239	0.4
353.32632	4.5
374.14398	1.6
425.28165	0.9
482.33737	1.5
499.36380	100.0
500.36725	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	499.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.01863	1.6
55.05504	15.1
55.99181	1.3
57.03429	1.8
57.07055	3.2
58.06572	1.5
65.03941	2.1
67.05502	17.6
68.42602	1.2
69.03423	3.9
69.07063	100.0
71.04993	8.4
71.60510	2.0
72.08128	2.0
73.02927	1.6
73.06551	2.6
74.20833	1.3
79.05490	7.7
81.03424	5.3
81.07050	25.5
83.04985	8.0
83.08614	4.4
83.18116	1.3
84.08140	13.0
85.02898	10.4
85.06533	2.8
87.04465	5.1
89.06023	87.4
91.05489	10.7
93.07039	12.8
95.04967	22.0
95.08606	22.3
97.02870	3.5
97.06540	3.1
99.04434	8.9
102.12724	1.3
105.07040	7.8
107.04942	2.6
107.07079	4.1
107.08587	10.9
109.02883	5.1
109.06516	16.7
109.10146	14.3
111.04420	2.2
111.08103	2.9
111.11712	40.9
112.11231	39.0
113.09618	1.7
115.05383	1.6
116.98708	1.8
117.07053	1.8
117.09121	2.4
119.04928	13.7
119.08565	8.6
120.79933	1.4
121.06461	7.1
121.10149	5.0
123.04430	22.3
123.08060	3.8
123.11710	5.0
127.03922	7.8
129.13872	30.0
130.08598	2.3
131.06967	1.8
131.08574	3.2
133.08595	60.5
133.10072	7.0
135.08070	15.0
135.11700	12.9
137.09628	2.4
137.13242	4.7
139.03893	16.3
139.11227	1.8
143.08522	2.2
145.04945	6.0
145.10112	3.4
147.04401	45.1
147.05513	3.1
147.07990	1.6
147.11673	3.2
149.09569	3.5
149.13271	2.6
151.03879	1.7
151.09785	2.0
151.11172	9.6
153.01808	4.7
153.12703	1.9
157.10101	3.0
159.11726	2.0
161.09596	3.9
163.03951	1.7
163.11240	2.9
165.05382	1.6
165.09125	1.5
167.07031	2.6
167.10762	2.4
169.10033	1.7
170.10498	1.7
171.11578	2.0
173.09631	2.6
173.13272	2.7
175.14816	7.6
177.05382	3.0
177.11211	22.6
177.12666	1.9
180.13835	4.5
185.07097	1.6
191.07028	1.5
191.14285	2.1
193.15944	9.4
195.12230	2.6
197.13126	1.5
199.16907	3.2
204.10178	5.1
207.18561	4.0
208.16963	33.4
211.16872	16.2
221.13661	1.9
221.15581	2.5
229.15845	1.7
239.14909	2.5
243.19655	5.6
271.08167	1.7
273.07556	4.4
275.17560	1.6
279.24268	8.9
283.17435	3.1
283.20486	2.4
301.21576	43.9
314.12158	2.7
319.22614	11.7
327.19974	2.7
353.32672	3.4
371.22845	5.6
373.13950	5.0
374.14194	9.4
420.40707	1.6
481.33823	5.7
499.29568	4.3
499.36407	93.8
500.24457	1.6
500.36792	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.01863	1.6
55.05504	15.1
55.99181	1.3
57.03429	1.8
57.07055	3.2
58.06572	1.5
65.03941	2.1
67.05502	17.6
68.42602	1.2
69.03423	3.9
69.07063	100.0
71.04993	8.4
71.60510	2.0
72.08128	2.0
73.02927	1.6
73.06551	2.6
74.20833	1.3
79.05490	7.7
81.03424	5.3
81.07050	25.5
83.04985	8.0
83.08614	4.4
83.18116	1.3
84.08140	13.0
85.02898	10.4
85.06533	2.8
87.04465	5.1
89.06023	87.4
91.05489	10.7
93.07039	12.8
95.04967	22.0
95.08606	22.3
97.02870	3.5
97.06540	3.1
99.04434	8.9
102.12724	1.3
105.07040	7.8
107.04942	2.6
107.07079	4.1
107.08587	10.9
109.02883	5.1
109.06516	16.7
109.10146	14.3
111.04420	2.2
111.08103	2.9
111.11712	40.9
112.11231	39.0
113.09618	1.7
115.05383	1.6
116.98708	1.8
117.07053	1.8
117.09121	2.4
119.04928	13.7
119.08565	8.6
120.79933	1.4
121.06461	7.1
121.10149	5.0
123.04430	22.3
123.08060	3.8
123.11710	5.0
127.03922	7.8
129.13872	30.0
130.08598	2.3
131.06967	1.8
131.08574	3.2
133.08595	60.5
133.10072	7.0
135.08070	15.0
135.11700	12.9
137.09628	2.4
137.13242	4.7
139.03893	16.3
139.11227	1.8
143.08522	2.2
145.04945	6.0
145.10112	3.4
147.04401	45.1
147.05513	3.1
147.07990	1.6
147.11673	3.2
149.09569	3.5
149.13271	2.6
151.03879	1.7
151.09785	2.0
151.11172	9.6
153.01808	4.7
153.12703	1.9
157.10101	3.0
159.11726	2.0
161.09596	3.9
163.03951	1.7
163.11240	2.9
165.05382	1.6
165.09125	1.5
167.07031	2.6
167.10762	2.4
169.10033	1.7
170.10498	1.7
171.11578	2.0
173.09631	2.6
173.13272	2.7
175.14816	7.6
177.05382	3.0
177.11211	22.6
177.12666	1.9
180.13835	4.5
185.07097	1.6
191.07028	1.5
191.14285	2.1
193.15944	9.4
195.12230	2.6
197.13126	1.5
199.16907	3.2
204.10178	5.1
207.18561	4.0
208.16963	33.4
211.16872	16.2
221.13661	1.9
221.15581	2.5
229.15845	1.7
239.14909	2.5
243.19655	5.6
271.08167	1.7
273.07556	4.4
275.17560	1.6
279.24268	8.9
283.17435	3.1
283.20486	2.4
301.21576	43.9
314.12158	2.7
319.22614	11.7
327.19974	2.7
353.32672	3.4
371.22845	5.6
373.13950	5.0
374.14194	9.4
420.40707	1.6
481.33823	5.7
499.29568	4.3
499.36407	93.8
500.24457	1.6
500.36792	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26492	0.6
51.47568	0.5
65.03930	2.1
69.03413	1.9
69.92368	4.0
70.06577	0.9
79.05474	0.9
81.03408	1.1
81.07034	1.2
85.02873	3.3
88.97487	0.6
92.04993	3.0
96.08125	4.1
97.02897	0.9
98.21416	0.9
107.04935	0.7
117.03358	0.7
122.06038	1.2
122.25113	0.6
124.07575	3.8
124.19785	0.5
125.08421	0.6
126.09135	8.2
127.03892	1.0
129.45711	0.6
135.04437	2.2
137.05960	0.7
138.09154	2.6
148.03880	1.0
150.05470	0.7
150.09108	0.7
150.15392	0.6
152.07057	27.4
153.01834	2.0
163.03894	10.3
164.03339	1.2
166.04990	48.0
170.08206	0.7
172.11183	0.8
174.09163	0.7
176.03404	8.0
182.04471	6.9
194.04523	4.9
198.07799	1.5
199.08678	0.7
200.10719	2.5
211.08600	1.5
211.12265	0.8
212.09277	3.4
213.10144	0.9
220.76859	0.6
225.10284	1.5
227.08189	1.3
227.11757	4.8
228.10194	2.8
229.06052	0.7
229.09764	1.1
229.13354	1.6
230.10791	0.7
233.09174	2.4
240.08977	2.4
241.09674	1.5
245.09360	1.0
253.09715	3.2
254.08054	1.0
255.11282	4.9
257.09201	2.6
257.12851	1.6
259.07031	2.7
261.12354	1.8
267.13705	0.7
270.09970	2.0
271.10785	10.2
272.08987	0.7
273.08652	1.2
273.12326	3.0
274.10663	0.7
283.10754	39.2
284.11118	0.8
289.11832	6.7
301.11792	29.7
319.12857	100.0
320.13293	1.2
337.13791	2.1
467.81967	0.6
470.05731	0.8
481.18173	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
59.16147	0.4
61.02909	0.5
62.01207	0.5
63.62490	0.4
65.03932	1.8
69.03413	1.6
70.08085	2.2
79.05492	0.9
81.03425	1.0
81.07062	1.0
85.02880	2.4
88.21200	0.4
92.05006	2.6
94.06554	0.7
96.08116	2.6
97.02877	1.0
98.55554	0.5
106.06535	0.8
109.06499	1.0
122.06051	1.2
124.07573	3.6
126.09140	7.4
127.03940	0.7
136.07541	0.5
138.05441	0.8
138.09142	2.6
148.03925	1.1
150.05522	1.3
152.07056	25.4
153.01846	1.3
153.07321	0.6
163.03885	1.1
164.03444	0.8
166.04987	42.5
167.05321	0.7
176.03432	7.4
180.09976	0.4
182.04469	8.6
184.11371	0.5
186.09163	0.5
187.08664	0.6
194.04443	4.1
198.07802	1.1
199.08580	1.1
200.10793	2.2
207.02879	0.8
209.10658	0.5
211.08710	0.7
212.09338	2.1
213.10133	0.6
215.08167	1.3
215.11763	0.6
225.10228	1.1
226.10913	0.9
227.08208	0.6
227.11749	3.7
228.10307	2.1
229.09738	0.9
229.13365	1.6
233.09190	2.2
235.02226	0.6
239.08168	0.9
240.08673	2.6
241.09671	1.6
242.10576	0.9
243.11292	0.8
245.09149	1.5
253.09695	2.3
254.08035	0.9
255.11293	4.2
257.09149	2.5
257.12799	1.3
259.07114	3.4
261.12317	1.9
270.09949	1.2
271.10757	8.3
272.09009	0.7
273.09094	0.9
273.12350	2.7
283.10748	39.9
284.11118	0.6
288.11026	1.0
289.11819	6.4
301.11816	31.0
319.12851	100.0
320.13129	1.8
337.13824	1.5
432.51556	0.6
463.35400	0.5
481.18008	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96143	0.5
65.03938	2.0
67.70187	0.4
69.03429	1.5
69.61494	2.0
69.61918	1.6
76.09830	0.5
79.05495	0.9
81.07061	0.5
85.02901	1.5
92.05005	3.5
96.08144	2.8
97.02871	1.2
109.06538	0.6
120.04473	0.5
122.06062	1.2
124.07583	3.3
126.09152	8.4
127.03890	0.5
134.06062	0.7
138.05446	0.5
138.09113	2.5
148.03917	1.0
150.05472	0.9
150.09137	1.1
152.07066	24.0
153.01849	0.8
164.03479	0.7
166.04999	47.9
167.05327	0.9
167.07011	0.5
176.03435	7.3
182.04495	8.6
184.09914	0.6
194.04456	4.8
198.09367	0.7
199.08641	1.5
200.10698	2.5
207.02881	1.1
211.08661	1.0
212.09306	2.4
213.10271	0.7
215.08139	0.9
225.10187	1.4
227.08116	0.7
227.11797	4.4
228.10172	2.1
229.13354	1.3
233.09344	2.3
235.02365	0.8
237.10390	0.5
240.08818	3.2
241.09612	1.2
243.08051	0.5
244.08485	0.5
253.03453	1.0
253.09700	3.3
254.08102	0.9
255.11293	4.3
257.09375	2.3
257.12851	2.1
259.07153	2.9
261.12369	1.2
270.09924	1.5
271.10794	7.8
272.09177	1.8
273.08786	1.3
273.12360	2.9
283.10776	36.4
284.11252	0.9
288.11148	1.2
289.11752	5.9
301.11832	28.4
302.12115	1.0
319.12881	100.0
320.13263	2.8
337.13760	1.5
355.03201	0.8
411.41266	0.6
481.18198	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.05509	7.9
57.03474	0.4
61.08822	0.4
63.85320	0.4
67.05493	1.3
69.03416	0.6
69.07072	2.0
70.15410	1.6
70.46036	0.6
77.54863	0.4
81.07031	1.2
83.04979	100.0
85.02905	1.0
91.05452	0.6
93.07056	0.9
95.08597	1.8
105.07034	1.4
107.08602	0.9
109.06506	0.5
109.10143	1.2
111.11718	1.7
113.09641	0.5
119.08546	0.7
121.06509	1.2
123.04462	0.7
123.11686	0.7
131.08568	0.5
135.08051	1.9
145.10120	0.5
153.01822	1.0
161.09608	1.1
167.06996	0.5
199.17010	0.6
201.12799	0.5
203.14276	2.2
217.15887	0.5
221.15457	1.4
227.14394	1.1
231.16057	0.7
245.15443	0.6
283.20538	1.0
301.21609	11.4
310.06290	0.5
319.22708	3.4
378.69965	0.6
393.03207	0.5
498.27826	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.1
55.01875	6.2
55.05507	24.3
57.03434	29.4
57.07059	3.7
58.75960	1.0
59.04990	1.4
61.02922	67.1
65.03929	4.1
67.05500	92.3
68.95570	0.9
69.03427	39.0
69.07062	19.4
69.92696	4.3
69.93112	1.9
71.01357	6.0
71.04987	9.7
73.02915	32.5
75.04464	2.9
77.03908	1.3
79.05489	58.7
80.64892	1.1
81.03409	26.0
81.07051	100.0
83.04982	6.6
83.08615	7.9
85.02898	71.3
85.06549	2.2
87.04471	3.8
89.50988	0.9
90.30289	1.0
91.03951	43.3
91.05473	34.6
93.07037	68.4
95.04962	9.2
95.08600	80.3
97.02885	57.3
97.06514	5.2
97.10179	4.9
99.04445	11.8
99.08077	2.2
101.02371	14.0
103.03925	11.0
105.07015	28.6
107.04951	3.3
107.08588	38.6
109.02876	13.1
109.06522	7.0
109.10145	36.2
111.04453	3.0
111.08073	3.3
113.09671	1.5
115.03938	6.5
117.05508	3.1
117.06999	13.9
119.08565	24.8
119.09346	1.9
121.06502	3.2
121.10134	36.1
123.08057	3.9
123.11697	14.3
125.05927	1.4
125.09538	2.5
127.03902	23.9
129.05469	8.4
129.07007	4.6
130.07806	1.5
131.08559	21.8
133.06482	1.7
133.10130	18.7
135.08040	2.2
135.11685	25.4
137.09616	3.4
137.13283	4.5
139.07532	1.1
139.11191	2.3
141.07059	1.2
143.08565	5.3
145.04941	9.5
145.10112	14.4
147.07983	1.9
147.11671	11.7
149.09619	2.1
149.13243	15.3
151.11168	2.3
152.99408	1.0
153.12698	1.7
155.08522	2.2
157.10150	4.5
159.06534	2.2
159.08055	2.0
159.11676	15.4
161.13263	12.9
163.06102	1.1
163.07492	1.1
163.11136	2.5
163.14798	6.5
165.12787	1.0
166.93971	1.0
169.10110	2.1
171.06557	2.2
171.11679	4.0
173.09581	1.4
173.13246	11.5
175.14771	5.1
177.12675	2.5
177.16338	1.8
179.14264	1.5
183.06555	6.2
183.11670	2.6
185.13275	3.0
187.11227	1.3
187.14775	6.3
197.13223	2.5
199.14769	2.5
201.07556	5.0
201.16394	2.1
211.11363	1.1
213.12830	1.1
213.16389	1.2
217.12195	1.1
217.15950	1.2
243.21072	8.6
259.17249	1.0
259.20486	5.5
261.22113	24.1
273.22028	2.8
277.21616	1.7
283.20645	1.7
285.22064	2.0
289.21619	1.6
291.23047	2.0
301.21707	3.3
303.23163	4.5
313.21814	1.6
315.23349	1.8
317.24835	2.8
327.23129	2.6
333.24240	1.6
335.25775	94.0
341.24875	2.4
345.24133	2.2
351.22922	2.4
354.47583	1.2
363.25287	3.7
369.24185	6.8
375.25443	1.5
377.27045	1.6
387.25269	2.2
405.26459	3.3
407.27365	1.1
419.27966	2.2
425.27164	1.2
443.27713	5.0
461.28900	6.8
479.30008	9.3
497.31085	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.6
53.03943	0.8
55.01847	0.4
55.05499	0.9
60.85153	0.4
65.03908	0.6
65.93458	0.3
67.01855	0.7
67.05493	1.7
68.99772	1.2
69.03429	1.6
69.07037	0.4
70.89547	1.0
71.04967	1.3
73.02905	0.4
77.03930	1.3
79.05470	1.3
81.03393	0.8
81.07035	2.5
82.07420	0.4
83.04951	0.7
83.59055	0.3
85.02884	1.8
91.05470	2.3
93.03385	0.7
93.07024	1.3
95.04973	2.2
95.05521	0.4
95.08597	1.4
97.02863	0.8
99.04430	4.1
103.05463	0.8
105.03381	1.1
105.07019	8.3
107.04967	1.6
107.08588	2.1
109.06506	0.6
109.10123	0.6
111.00784	1.0
111.04461	1.8
115.05482	0.6
119.04929	1.7
119.08575	1.8
121.02884	0.4
121.06466	0.7
121.10150	0.6
123.04414	100.0
123.11668	0.4
124.04758	0.4
125.05976	0.4
127.03915	0.8
128.06203	0.6
129.07011	0.5
131.04897	0.6
131.08527	0.7
132.05737	0.5
133.06490	1.4
133.10117	4.9
135.04408	1.6
135.08018	0.6
135.11684	0.6
137.05951	0.8
137.09605	0.4
138.13501	0.3
139.03885	42.3
140.04311	0.4
141.56441	0.3
143.08559	0.7
145.02870	0.4
145.04962	0.7
145.06464	0.5
145.10107	1.1
147.04391	6.0
147.08047	0.4
147.11682	0.8
149.06010	0.7
149.09630	0.4
151.03885	8.5
151.07521	0.8
151.11154	0.5
153.00594	0.3
153.01808	6.7
155.07016	0.3
159.11688	0.4
161.06039	1.7
161.09595	9.2
163.03888	1.8
163.07513	1.0
163.11157	2.2
165.05496	1.2
165.10565	0.3
167.07027	1.9
171.02872	2.9
175.03940	0.7
177.05475	1.4
179.03389	1.4
179.10648	3.8
180.07687	0.4
181.04950	0.9
181.08510	0.4
182.09306	0.4
189.05501	1.3
189.09100	1.4
189.12779	0.4
191.03386	3.7
191.07021	0.7
192.07874	0.4
193.04912	0.5
193.08559	1.6
201.05499	0.4
203.03401	0.5
207.06479	0.9
207.10234	1.0
207.13863	0.4
209.08098	1.0
210.08878	0.9
213.05336	0.4
224.79779	0.3
231.06514	1.1
255.06572	0.5
273.07544	12.7
283.06128	0.4
287.05420	0.8
299.05307	0.4
299.20078	0.6
303.08777	0.5
313.07129	0.5
327.16086	0.4
335.11768	0.4
343.08112	1.8
345.09631	1.1
349.30121	0.3
357.09540	0.8
479.13043	0.4
497.13962	1.2
497.21075	1.1
497.27017	1.8
497.34921	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
55.05514	0.9
55.36255	0.4
65.03905	0.5
67.05489	1.5
68.99812	0.7
69.07058	1.1
69.40116	2.1
69.40537	2.5
71.04969	1.2
77.03931	1.2
79.05486	2.1
79.62769	0.5
81.03405	1.7
81.07048	2.0
83.08649	0.7
91.05494	2.9
93.07029	1.2
95.04936	2.6
95.08601	1.7
97.02914	0.5
99.04448	3.6
105.03375	1.3
105.07021	7.8
106.07337	0.6
106.60912	0.5
107.08591	2.3
109.06532	0.6
111.00817	0.7
111.04444	1.5
113.81021	0.5
119.04930	0.6
119.08590	0.9
121.06532	0.9
121.10120	0.7
123.04421	100.0
127.03877	0.5
131.08514	0.6
131.12512	0.5
133.06490	1.3
133.10127	4.8
135.04420	1.3
135.11725	0.8
139.03896	36.0
143.08531	0.9
145.10158	0.7
147.04396	3.3
147.11670	0.6
149.09619	0.7
151.03893	7.2
153.01816	0.7
161.09615	8.3
163.03889	1.6
163.11172	3.4
165.05486	0.9
179.10696	3.2
189.05447	1.6
189.09094	2.0
193.12241	1.2
194.12569	0.7
207.10172	1.1
211.13298	1.2
212.13641	0.6
214.82291	0.5
273.07559	15.0
416.86295	0.5
496.30099	0.7
497.30008	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	497.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.3
51.02359	0.5
53.03926	0.6
55.01860	0.7
55.05494	0.7
59.43606	0.2
60.96907	0.2
65.03931	0.8
66.17165	0.2
67.05492	1.5
68.99782	0.8
69.03419	0.7
69.07815	0.3
71.04984	0.5
71.60312	0.4
71.60673	0.3
77.03911	1.0
79.05480	0.9
81.03403	0.4
81.07047	1.8
83.04984	0.5
83.08588	0.3
85.02890	0.5
91.05467	1.8
93.07031	1.5
95.04964	1.8
95.08606	1.2
97.02880	0.3
97.06499	0.5
99.04443	1.1
105.03358	1.4
105.07016	3.5
107.04942	0.4
107.08564	1.0
109.06551	0.3
109.10130	0.8
111.00824	0.5
111.04424	2.2
117.07007	0.4
119.04913	0.6
119.08549	0.6
121.06490	0.5
121.10123	0.6
123.04419	100.0
123.11655	0.3
124.04759	0.4
125.73859	0.3
127.03889	0.3
131.08548	0.5
133.06491	0.7
133.10121	2.0
135.04425	0.9
135.08138	0.3
135.11716	0.6
139.03891	68.5
143.08536	0.8
145.10077	0.6
147.04399	3.0
149.13216	0.3
151.03891	6.7
151.07510	0.7
153.01825	0.4
155.08569	0.3
157.06445	0.2
161.05971	0.5
161.09619	4.0
163.03853	1.4
163.07542	0.7
163.11136	0.5
165.05457	0.7
171.08046	0.3
175.07314	0.3
177.05521	0.3
179.10681	1.3
181.06473	0.3
189.05467	1.1
189.09097	1.3
193.12184	0.3
198.14879	0.3
199.07527	0.3
207.10139	0.6
225.11227	1.1
231.06390	0.3
237.45419	0.3
255.06491	0.3
273.07565	16.1
335.22168	0.4
366.85651	0.3
380.70862	0.3
437.29565	0.2
497.27448	0.9
498.47495	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1441
Annotation	CHEBI:70259
Peak:m/z	Relative Intensity
51.02369	0.5
53.03924	0.6
55.01857	0.7
55.05492	0.4
63.96360	0.2
65.03924	1.3
67.05509	1.2
68.99437	0.3
68.99754	1.4
69.03411	0.4
69.07036	0.3
77.03912	0.5
79.05489	0.6
81.03395	0.3
81.07030	0.6
82.83826	0.2
83.04949	0.9
85.02887	0.5
89.03925	0.3
91.05472	4.3
93.03394	0.9
93.07016	0.7
95.04941	1.3
95.08578	0.6
97.02863	0.7
99.04452	0.8
103.05467	0.4
105.03397	0.9
105.07010	2.5
107.04926	0.8
107.08569	0.4
108.12202	0.2
109.02843	0.4
109.06510	0.2
109.10142	0.3
111.00813	0.7
111.04435	4.4
119.04925	5.5
119.08540	0.4
121.06447	0.4
123.04411	65.3
124.04706	0.5
127.03862	0.3
131.04927	0.5
133.06456	0.5
133.10126	1.4
135.04427	1.0
137.02313	0.3
137.05966	0.4
139.03882	100.0
140.04225	0.6
142.03215	0.2
143.08516	0.4
144.04314	0.2
145.02820	0.4
145.10153	0.3
147.04390	7.5
149.05919	0.3
149.09602	0.3
151.02716	0.5
151.03888	7.1
151.07529	0.5
153.01799	0.8
153.05495	0.4
157.03940	0.4
161.05969	0.8
161.09596	1.6
163.03894	1.0
163.07512	0.5
163.11143	0.5
165.05486	0.5
167.07051	1.0
173.06015	0.3
175.03879	6.9
175.07610	0.3
177.05437	0.9
179.06946	0.5
179.10643	0.7
183.57535	0.2
187.07510	0.3
189.05467	0.8
189.09123	0.3
193.04929	0.5
199.07486	0.3
207.06502	13.3
217.04889	0.5
229.31322	0.3
231.06526	0.9
247.07600	0.3
255.06467	0.7
271.05939	0.3
273.07535	9.3
273.10507	0.4
313.07263	0.5
359.10944	0.3
477.25812	0.3
497.28064	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.01861	2.0
55.05498	1.2
57.03415	0.7
62.50969	0.8
64.52218	0.7
67.01862	9.1
67.05490	3.1
67.42293	0.7
68.99781	4.2
69.03411	2.0
69.07068	1.4
69.95496	3.8
71.04955	0.9
79.05502	4.3
81.03390	2.3
81.07056	3.2
83.01298	1.6
83.04993	0.8
85.02881	1.7
89.03928	0.9
91.05476	6.8
93.03385	0.8
93.07063	3.4
93.13702	0.6
95.04974	2.6
95.08591	2.0
97.02888	2.0
97.06533	1.1
98.21400	1.0
99.04442	0.9
103.05449	3.0
104.06222	0.9
105.07039	5.7
106.04145	1.4
107.04988	3.6
107.08584	2.6
109.02879	0.8
109.06516	1.8
109.10163	2.0
111.00774	1.8
111.04414	1.2
115.05436	1.4
117.03389	0.9
117.07007	1.4
119.04940	1.4
119.08588	2.1
121.06493	4.1
121.10128	1.8
123.04440	4.8
123.11728	0.7
125.02318	1.3
127.03921	1.3
129.01834	1.2
130.04147	1.0
131.04938	7.6
131.08519	0.9
132.05707	6.6
133.02885	1.7
133.06497	6.1
133.10124	1.3
135.04417	4.2
135.08014	1.0
137.05968	1.6
139.03908	1.0
140.04674	1.1
145.02792	1.1
145.10136	1.5
147.04396	6.0
147.11659	0.9
148.05139	1.1
149.02356	0.7
149.05971	6.2
149.09650	0.8
151.03941	1.4
151.07542	1.8
153.01817	100.0
153.09032	1.1
154.06229	1.7
155.07076	1.9
159.04402	1.6
159.07957	0.9
160.05151	2.4
161.02327	1.3
161.05974	16.4
163.03906	2.3
163.07526	0.9
165.05478	4.1
165.06693	0.8
167.07033	19.5
167.08430	1.5
171.02879	43.1
172.03130	0.7
173.05928	1.6
175.03857	2.1
177.05499	5.9
179.03398	26.9
179.06960	3.7
179.08493	1.0
180.07860	5.5
181.08623	3.3
181.10043	0.8
182.09366	7.6
187.03897	6.2
191.07053	5.6
192.07805	10.8
193.08585	22.0
193.10292	1.4
199.03963	1.1
201.05475	2.3
203.03392	7.2
209.08066	15.2
209.09903	1.4
210.08847	18.1
213.05460	1.7
217.04916	1.8
221.13176	1.0
227.03540	0.8
231.06532	2.0
241.04912	1.3
245.04199	0.9
249.12665	1.2
259.05963	3.5
263.07007	1.0
267.13925	1.1
269.04453	3.2
281.08026	0.8
287.05505	14.5
299.05301	0.8
309.14847	1.0
313.07025	12.9
321.07584	1.1
325.07108	2.2
327.15918	1.4
335.21899	1.4
343.08072	6.7
345.13312	1.5
353.10132	1.5
371.11447	2.2
467.13272	3.1
479.24127	1.5
497.14407	19.7
497.26590	5.2
498.14838	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3394
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
52.32044	0.2
55.05503	0.8
56.05026	1.3
57.03425	0.7
57.07073	3.7
58.06572	1.3
59.07379	0.2
59.29292	0.2
60.08157	17.5
67.05499	0.8
69.07056	0.5
70.21692	0.8
71.07367	6.2
71.08621	1.8
81.07044	1.1
81.07816	0.2
83.08615	0.5
85.10179	1.2
86.09697	53.0
87.10027	0.5
95.08597	1.5
97.10175	0.4
98.98451	3.7
104.10733	100.0
105.11086	0.5
109.10162	0.7
123.11668	0.3
124.99991	28.4
140.76735	0.2
143.01050	0.4
145.73872	0.2
146.12473	0.1
163.01540	0.6
163.53790	0.2
166.02589	0.2
184.07323	97.2
185.07695	0.8
193.44673	0.2
199.03748	0.3
258.11035	1.0
283.26382	0.2
303.23904	0.2
313.27332	1.6
366.54349	0.2
419.25104	0.3
451.20584	0.2
478.32886	9.7
496.33932	39.0
497.34204	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79781	0.6
51.45009	0.7
55.05498	1.0
57.07051	0.7
66.73565	0.7
67.01592	0.6
67.01865	8.4
67.05494	3.8
68.99776	4.0
69.03416	2.4
69.07058	1.6
69.88435	1.7
69.88873	2.6
71.04964	2.6
79.05482	3.5
80.67282	0.6
81.03421	3.9
81.07054	3.6
83.04962	1.3
83.08626	0.7
85.02903	1.7
91.05479	4.4
93.07044	4.0
95.04947	3.4
95.08614	3.6
97.02883	2.3
103.05451	4.6
104.06200	1.8
105.03388	1.1
105.07034	5.8
107.04939	2.3
107.08580	2.6
109.10162	2.8
111.00777	1.7
112.11195	0.7
117.07024	0.7
118.04179	1.3
119.04923	1.8
119.08549	1.7
121.06491	2.0
121.10120	2.4
123.04457	3.1
123.11678	0.8
125.02354	1.6
127.03897	1.3
131.04922	12.0
131.08565	1.4
132.05707	13.4
133.02847	2.0
133.06459	2.2
133.10109	0.9
134.03572	0.8
135.04379	2.1
135.08049	1.0
135.11664	1.2
137.05969	1.4
137.09604	1.7
139.03885	1.8
143.08549	1.1
145.10170	0.9
146.03638	1.5
147.04427	5.1
148.05116	1.0
149.02354	1.0
149.06004	3.4
149.06995	0.8
151.03882	2.3
151.07570	1.1
151.34888	0.8
153.01822	100.0
154.02150	1.0
155.07033	0.8
159.04391	1.2
160.05194	7.9
161.02388	0.9
161.05966	9.7
163.03903	1.8
163.07516	2.4
164.04668	2.5
165.05492	1.8
167.07030	10.7
171.02879	34.9
173.05951	1.1
175.03931	2.3
175.07550	1.0
176.04655	1.3
177.05438	9.3
178.06270	1.8
179.03389	20.6
179.06972	2.1
180.07816	2.5
181.08548	2.3
182.09406	2.4
185.05917	1.1
187.03915	2.5
190.04062	0.7
191.07016	12.2
192.07805	47.4
193.08583	6.8
193.12244	1.2
203.03387	3.1
204.10229	1.1
207.06502	0.8
209.08086	8.1
210.08844	11.1
211.13272	1.0
213.05458	1.7
231.06544	1.1
241.04941	1.0
259.06024	2.3
281.08017	1.0
287.05566	3.2
295.09610	1.4
311.09152	1.7
313.07053	5.8
325.06961	0.9
327.12277	1.2
343.08307	3.3
353.10382	1.3
359.28424	0.8
371.11328	1.3
447.10803	3.8
453.28488	0.9
467.13300	3.1
479.13412	2.2
497.14441	21.9
497.30957	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36035	0.3
55.05513	0.3
67.05489	0.5
69.12106	0.3
71.60582	0.4
81.07070	0.7
86.42133	0.3
92.88915	0.3
93.07032	0.3
94.03940	0.3
109.10210	0.3
113.21508	0.3
119.08630	0.3
190.09656	0.5
194.64545	0.4
299.41483	0.3
343.22433	1.3
360.18033	0.4
397.30557	0.4
467.35437	0.4
477.33423	2.3
495.34442	100.0
496.34769	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	496.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.2
57.03440	3.0
59.05000	1.5
69.03410	1.7
69.07059	2.2
71.04992	28.5
71.16660	1.4
73.02920	1.4
73.06553	3.9
75.04472	1.7
75.92648	0.7
79.05473	3.4
80.14993	0.6
81.03413	0.7
81.07052	15.8
83.04991	4.6
85.02902	29.0
87.04478	0.7
93.07044	9.9
95.04950	0.6
95.08600	2.4
97.02892	1.7
97.06516	1.4
99.40356	0.5
107.08593	9.2
109.02882	0.7
109.10172	1.9
111.04429	2.1
126.10239	1.1
127.03906	1.9
129.05493	9.4
133.10048	0.7
135.11688	19.3
145.04942	1.2
147.06534	7.8
153.01807	1.1
153.12740	100.0
154.13048	1.3
164.12990	0.6
171.06555	0.7
255.08575	1.0
273.09662	1.4
291.10736	0.8
299.18503	0.7
309.11813	2.2
314.03015	0.7
317.19519	1.4
358.90289	0.7
489.72119	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.1
56.05018	0.3
57.03426	0.2
57.07067	0.7
57.25787	0.1
58.06627	0.4
59.07389	0.2
60.08158	5.5
67.05489	0.3
69.07079	0.1
71.07365	2.3
71.08624	0.4
80.97443	0.1
81.07042	0.3
83.08609	0.3
85.10173	0.3
86.09697	29.3
87.09992	0.1
93.07041	0.1
94.33134	0.1
95.08614	0.3
98.98457	2.5
104.10735	2.9
104.11411	0.2
105.07021	0.1
107.08585	0.1
109.10168	0.1
120.51836	0.1
124.70017	0.1
124.99991	18.9
126.94794	0.1
130.45998	0.1
143.01016	0.4
184.07323	100.0
185.07639	0.5
228.05777	0.1
258.11032	0.2
313.27353	0.2
330.86353	0.1
344.67542	0.1
478.32861	1.2
496.33945	3.7
514.14911	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	495.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02872	1.3
66.96054	1.4
67.88110	1.6
71.59307	2.1
79.96539	1.2
101.72833	1.5
109.10120	1.9
119.08533	1.9
153.05212	3.9
154.73442	1.8
177.30879	1.4
246.20114	1.7
299.25522	1.6
477.33395	12.2
495.34421	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23423	0.5
64.52173	0.6
68.53661	0.7
69.75025	2.7
69.75430	1.4
81.07040	0.8
90.97397	0.6
91.05479	0.8
107.08552	0.8
109.10167	0.9
119.08597	0.7
133.10130	0.7
178.97313	0.7
189.08900	0.9
241.25935	0.7
325.21512	0.8
378.45770	0.7
382.97107	0.7
385.69360	0.7
410.69528	0.6
437.30203	1.2
443.41928	0.7
459.32083	1.2
471.09048	0.6
477.33392	11.9
495.34424	100.0
496.34747	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	495.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44590	0.2
67.05471	0.2
69.11689	0.2
69.46326	1.6
81.07046	0.3
95.08584	0.3
98.20736	0.2
109.10146	0.3
111.00591	0.4
126.06828	0.2
133.10144	0.2
139.31952	0.2
148.19624	0.2
151.98701	0.2
153.05208	0.6
166.75148	0.2
227.56693	0.2
334.28403	0.2
433.34427	0.3
435.32675	0.2
477.27032	0.3
477.33405	4.1
478.33887	0.2
495.34415	100.0
496.34735	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	495.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.2
54.05338	1.3
55.01630	1.3
55.01871	16.2
55.05260	2.0
55.05508	31.5
57.03432	10.1
57.07061	3.9
65.03933	4.1
66.75982	1.3
67.05500	100.0
69.03426	4.4
69.07069	18.8
70.52493	1.4
71.04981	8.6
71.60374	2.6
73.02921	2.0
79.05484	47.2
81.03413	15.4
81.07049	70.1
83.04975	18.0
83.08611	19.3
84.26986	1.4
85.02889	5.9
85.06532	5.8
91.05473	38.7
93.07037	51.7
95.04958	15.2
95.08595	30.5
97.02908	1.9
97.06524	17.5
97.10162	11.4
99.04447	1.5
99.08086	2.8
102.77240	1.2
103.05444	1.7
105.07019	23.3
107.04962	6.9
107.08592	28.0
109.06511	5.6
109.10142	32.3
111.04429	4.8
111.08070	8.9
112.80655	1.4
117.07045	10.3
119.08581	19.1
121.06512	6.0
121.10141	20.5
122.10968	1.6
123.08073	5.1
123.11708	5.9
125.09647	8.5
129.05545	1.8
129.06982	5.8
131.08583	12.4
133.06476	1.9
133.10109	13.2
135.08041	2.0
135.11661	11.1
137.09624	3.0
139.11211	1.7
143.08568	1.5
145.10127	8.2
147.08020	2.4
147.11688	8.8
149.09590	4.2
149.13257	12.7
151.11206	1.6
153.12752	3.8
155.08530	2.6
157.10118	3.8
158.05821	1.9
159.11726	7.1
163.11180	10.0
165.12773	4.1
171.06512	3.3
172.95258	2.9
173.09581	3.2
173.11745	6.0
173.13139	2.1
175.11176	2.2
175.14795	1.4
177.12747	3.7
181.12236	4.5
185.08130	1.9
185.13255	2.3
187.11298	1.6
189.11192	2.8
190.96318	3.4
191.10680	2.9
193.12291	6.5
195.13759	6.7
199.13249	2.7
209.11783	7.0
211.13222	6.6
227.12711	6.7
228.97845	2.2
229.14365	2.5
233.15311	1.7
242.15364	1.5
245.13789	1.3
255.15970	4.1
267.15994	4.1
269.17612	5.3
283.15445	8.5
323.22281	2.2
335.25598	3.4
385.23196	1.8
423.27362	14.4
431.27838	1.5
449.28918	2.0
453.17804	1.9
459.26926	2.3
471.18295	5.4
472.18747	2.1
477.28662	7.2
495.29541	88.4
496.29773	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	495.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
54.58569	0.6
55.05505	16.7
55.94563	0.6
57.03433	12.7
57.54075	0.6
59.04981	0.7
65.03912	1.8
66.98861	0.6
67.05499	23.8
67.45496	0.6
69.03434	4.1
69.07055	6.5
71.04987	4.7
75.05685	0.6
77.03888	0.7
78.59190	0.8
79.05484	28.4
79.64417	0.6
81.03409	66.4
81.07049	28.3
83.04485	0.8
83.04970	14.6
83.08614	25.2
85.02897	33.5
85.06510	2.6
87.04343	0.6
91.05472	34.6
93.06488	1.1
93.07035	18.9
95.04961	31.4
95.08066	0.9
95.08601	12.7
97.02863	2.7
97.06513	3.9
97.10178	4.3
99.04417	0.9
99.08063	1.7
103.05408	1.0
105.07019	26.0
107.04952	6.4
107.08585	8.0
109.06519	5.6
109.10155	3.6
111.04414	3.8
111.08077	12.4
113.05994	3.5
115.05410	1.5
117.07016	1.7
119.04899	0.7
119.08575	20.7
121.06483	1.3
121.10128	11.5
123.04393	2.6
123.08062	3.6
123.11678	2.6
125.05934	0.8
125.09589	2.4
129.06979	13.6
131.08548	12.2
133.06467	2.1
133.10121	10.7
135.07977	1.1
137.09567	2.6
139.03815	1.5
142.07739	3.0
145.10081	2.9
147.08014	4.2
147.11667	15.9
149.09596	5.6
151.07582	0.8
151.11229	0.8
155.08521	0.8
157.08931	1.3
157.10112	14.7
161.09413	0.6
163.11169	1.5
165.12772	4.3
175.11179	15.3
189.11215	1.4
193.12227	64.4
194.12576	1.1
211.13268	87.6
212.13512	1.9
225.01558	0.6
227.12753	1.0
267.15903	10.7
285.16794	3.5
318.45084	0.7
357.24252	1.1
359.22260	1.5
367.22705	1.1
385.23849	1.4
397.83084	0.7
403.24658	0.7
431.28140	0.9
459.27362	5.9
477.28403	7.7
495.29504	100.0
496.29590	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	495.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.05507	22.7
57.03434	12.0
57.07074	2.2
59.05002	1.5
65.03924	2.6
67.05496	45.5
69.03422	5.4
69.07063	13.2
71.04984	7.2
73.02967	1.4
79.05490	41.3
81.03411	66.3
81.07050	52.5
82.04251	1.1
83.04976	18.2
83.08612	25.4
84.08213	1.2
85.02362	1.5
85.02896	37.2
85.06530	4.0
91.05473	41.6
93.07037	33.3
93.07619	1.7
95.04960	34.8
95.05544	1.8
95.08601	21.6
95.09168	1.8
97.02917	4.5
97.06516	7.5
97.10162	7.0
98.21512	2.2
99.04496	1.9
99.08076	2.6
101.06095	1.1
103.05482	1.0
105.07027	33.2
107.04952	9.8
107.08584	18.0
109.06509	8.6
109.10135	8.1
111.04438	3.8
111.08066	12.2
112.11269	2.8
113.06026	3.3
115.05444	2.3
117.06995	5.4
119.04960	2.8
119.08576	21.7
121.06523	3.6
121.10127	14.6
123.04471	1.9
123.08079	5.1
123.11732	4.4
125.06012	1.6
125.09639	4.3
129.06998	11.4
129.13887	1.7
131.08563	14.0
133.06506	4.8
133.10132	14.2
135.08067	3.1
135.11678	5.1
137.05960	1.4
137.09666	3.0
141.07042	1.3
142.07822	3.0
143.08546	1.9
145.06477	1.1
145.10088	5.7
147.04390	8.0
147.08122	3.4
147.11655	15.7
149.05933	1.0
149.09593	7.0
149.13248	5.4
151.03957	1.0
151.11292	1.2
157.10112	15.3
159.11719	2.5
161.09584	1.4
163.11214	4.0
165.12747	2.3
167.07060	1.1
171.06592	1.4
173.09705	1.2
173.11772	1.5
173.13202	1.4
175.11171	16.0
177.12773	1.6
189.11157	1.2
191.10768	1.3
193.12225	52.9
194.12680	1.2
195.13834	3.6
199.13370	1.7
204.10274	4.7
209.11671	2.5
211.13263	70.4
220.52980	1.1
227.12808	2.5
267.15891	11.8
269.17575	4.3
275.17554	2.0
283.15457	2.8
285.16830	5.0
322.96112	1.1
333.20401	5.4
367.22916	1.3
379.04846	1.3
385.23831	1.8
403.25189	1.3
423.27469	1.9
459.27560	4.6
477.28503	10.8
478.28726	1.1
495.29678	100.0
496.30161	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	495.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
54.42738	0.8
55.05505	19.7
57.03430	11.8
59.04995	1.5
65.03938	2.7
66.98349	0.7
67.05500	29.5
69.03426	6.8
69.03765	1.0
69.07063	9.1
70.11696	2.8
70.12115	1.8
71.01369	0.9
71.04986	6.9
77.00308	0.7
79.05487	31.0
81.03413	69.3
81.07050	34.6
83.04971	14.6
83.05432	1.1
83.08609	26.1
85.02900	41.6
85.06533	3.3
87.04499	0.9
91.05473	40.2
92.05861	0.7
93.07037	20.6
95.04959	31.4
95.08034	1.6
95.08599	15.6
97.02889	4.1
97.06535	6.7
97.10153	5.4
98.20782	0.8
99.04457	1.1
99.08095	2.2
100.11254	2.8
100.32726	0.7
105.07019	30.3
107.04949	9.7
107.08596	10.3
109.02798	0.9
109.06522	8.1
109.10167	6.3
111.04469	4.0
111.08067	12.9
113.05994	4.1
115.05447	2.0
117.07037	3.0
119.04960	1.6
119.08568	27.5
121.02840	4.1
121.06505	3.0
121.10123	13.7
123.04436	3.6
123.08042	4.3
123.11720	3.2
125.06031	0.9
125.09608	3.8
127.03886	1.1
127.07558	1.4
128.06255	1.6
129.07005	13.5
131.04947	0.9
131.08557	15.9
133.06505	4.4
133.10117	11.6
135.08057	1.2
135.11688	1.6
137.05998	1.7
137.09636	2.9
139.03894	3.0
142.07729	3.7
143.08620	0.9
145.10153	2.5
147.04424	1.1
147.08029	4.7
147.11676	17.9
149.09637	6.7
151.03879	1.2
151.11243	1.4
153.01878	1.7
155.08569	2.3
157.10126	14.8
159.11629	1.2
161.09595	0.9
163.03880	0.9
163.11145	2.3
165.12775	3.0
167.07080	2.1
171.11700	1.0
175.11169	16.8
183.11632	0.8
187.11328	1.1
187.14905	1.3
189.11218	1.1
191.07098	0.8
193.12225	56.7
210.14790	1.1
211.13274	77.6
212.13632	1.7
215.14371	1.0
229.14265	0.9
231.02963	1.3
267.15927	12.0
279.26740	0.9
285.16946	5.3
297.27960	1.1
297.78635	0.8
315.01328	5.3
315.19565	1.0
341.21130	0.9
345.63565	0.9
349.21350	1.4
357.24017	0.9
359.22226	1.3
367.22556	1.2
385.23721	3.1
403.24927	2.2
459.27390	6.3
477.28503	9.2
495.29630	100.0
495.38507	2.9
496.29526	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	495.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	7.0
55.01868	29.9
55.05265	2.4
55.05508	35.6
56.96548	1.8
57.03438	15.0
57.07068	10.2
59.04982	2.4
61.02906	2.3
65.03927	3.5
67.05499	92.0
69.03428	7.3
69.07064	29.6
69.53608	1.7
71.00449	3.2
71.00769	2.6
71.01346	1.6
71.05000	7.8
73.02893	5.3
79.05486	61.0
80.06233	1.5
80.58147	1.6
81.03407	17.7
81.07050	100.0
82.04188	7.5
83.04980	20.5
83.08611	19.1
85.02883	6.9
85.06525	7.6
91.05472	44.0
93.07035	64.8
95.04961	28.2
95.08601	30.2
97.02884	4.2
97.06527	20.3
97.10179	10.4
98.07307	10.1
98.20773	1.6
99.04450	1.6
99.08070	4.5
105.07025	23.2
106.07814	2.1
107.04926	7.0
107.08587	43.1
109.02859	1.7
109.06500	6.7
109.10149	14.9
111.04430	3.1
111.08082	10.9
113.05986	3.0
113.09624	1.7
115.03935	1.7
116.04706	2.6
117.07014	10.3
119.08566	15.9
121.06496	5.1
121.10126	23.7
123.08045	9.3
123.11700	5.4
125.09640	11.9
127.11200	4.0
129.06947	7.6
131.08559	15.6
133.10118	19.5
135.08025	5.1
135.11697	13.2
137.09595	4.0
139.11189	2.5
145.06395	1.9
145.10141	5.9
147.11665	10.2
148.12456	3.0
149.09589	5.2
149.13243	33.7
151.11134	2.9
152.19696	1.5
153.09132	2.6
153.12708	1.7
157.10103	3.6
158.05731	5.7
159.11670	13.3
163.11195	5.4
164.12030	2.0
165.12682	1.9
171.06487	11.6
173.09625	2.4
173.11766	2.9
174.75447	1.6
175.11147	4.3
177.12744	6.2
181.12224	1.9
185.08029	4.5
191.10696	2.9
193.12239	6.1
195.13748	14.5
199.09685	3.4
199.13350	6.3
201.65990	1.4
201.86383	1.9
209.11725	9.4
211.13284	5.5
213.11176	2.0
213.14761	2.5
227.12761	8.1
229.14346	1.5
239.12773	1.8
239.30400	1.8
255.15892	5.7
267.15930	7.2
269.17447	14.9
283.15356	7.0
285.10217	2.9
295.19119	3.1
323.18518	9.4
323.22247	3.7
337.20151	1.7
351.21390	2.9
351.25330	2.5
393.26477	3.0
394.26892	1.7
398.13577	1.9
403.24805	2.6
423.27353	15.3
449.28851	3.5
451.30838	1.9
459.27411	1.9
477.28128	12.3
478.29227	7.9
495.29462	77.8
496.29929	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	493.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88999	2.1
53.75011	2.4
54.29291	2.5
55.05506	15.7
57.03414	3.6
57.07074	36.5
62.32652	2.1
67.05504	40.8
69.07061	14.9
70.92020	4.1
70.92361	6.0
71.01339	2.7
71.04993	3.5
71.08626	21.4
79.05492	24.8
81.03417	3.8
81.07054	25.4
83.04977	7.2
83.08635	14.7
85.10193	10.8
89.43749	2.2
91.05482	10.7
93.07040	36.1
95.05007	5.0
95.08607	26.9
97.06520	8.9
97.10168	11.3
102.93382	2.6
105.07021	5.0
107.08609	18.5
109.10152	16.2
117.06956	3.8
119.08571	4.3
121.10121	5.7
123.11788	3.6
125.63307	2.3
131.79175	2.6
133.10167	3.9
135.11688	37.4
145.10161	7.3
163.11186	4.1
181.12282	6.3
239.23711	10.0
263.76865	2.6
292.58691	2.3
333.11777	2.2
341.80966	2.4
368.27948	2.6
412.30310	2.5
493.32495	11.9
493.38950	100.0
494.39133	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	493.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57371	5.1
55.05511	43.7
57.07074	56.5
67.05485	18.5
67.29214	5.7
69.07063	66.1
69.90218	32.2
71.08622	46.7
71.61007	5.6
79.05488	35.0
81.07052	67.7
83.08617	50.0
85.06516	6.2
85.10164	22.6
91.05464	12.0
93.07030	100.0
95.08612	57.1
97.10152	40.6
99.08080	8.0
105.06989	7.5
107.08586	59.6
109.06509	8.7
109.10133	26.7
111.11742	14.3
115.07584	14.8
121.06486	7.8
121.10122	47.6
123.11683	21.6
125.13255	10.4
127.07537	22.9
135.11655	41.5
137.13240	8.9
143.07010	22.5
147.11746	7.0
149.13257	44.4
151.14833	10.0
153.09154	12.8
153.12727	7.3
159.11743	9.9
163.14828	41.8
177.16402	12.3
191.14346	9.4
195.13780	6.1
205.15698	6.6
209.15343	6.7
233.22704	11.9
289.28888	81.6
299.27307	18.1
307.29895	87.9
317.28375	52.3
349.31024	40.9
404.21521	6.3
437.42615	6.2
493.38174	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	493.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01866	2.3
55.05509	5.6
56.35685	0.7
57.03423	2.5
57.07061	0.7
60.35648	0.7
65.03945	1.1
66.63337	0.7
67.05501	12.2
69.03416	2.7
69.07064	4.3
71.04965	1.5
71.60474	1.4
74.09666	0.8
79.05482	8.4
81.03416	10.1
81.07043	12.8
83.04984	4.4
83.08607	5.5
85.02893	4.9
85.06530	1.5
87.07235	0.8
91.05477	9.6
93.07037	7.9
95.04962	7.1
95.08602	9.9
97.02876	1.6
97.06531	1.7
97.10171	3.0
99.08071	1.0
103.05483	0.8
105.07027	6.3
107.04945	4.2
107.08581	6.6
109.06512	3.1
109.10142	10.1
111.04436	2.5
111.08076	2.2
113.06877	0.8
117.07006	2.3
119.08584	6.1
121.02875	0.8
121.06483	2.5
121.10146	6.0
122.07320	1.0
123.04422	1.8
123.08045	1.5
123.11687	1.4
125.05949	1.4
125.09657	2.5
127.03939	1.0
129.07037	2.2
131.04903	1.4
131.08580	2.7
133.06497	1.2
133.10104	2.7
135.08032	1.7
135.11629	3.6
137.05949	1.7
137.09616	11.3
139.03856	1.6
139.11099	0.7
143.08557	1.3
145.06593	1.0
145.10124	4.1
147.04405	1.4
147.08118	0.9
147.11662	2.3
149.09566	1.6
149.13268	1.6
151.03915	1.1
153.01746	0.9
153.09058	1.3
153.12721	1.1
157.10132	1.8
159.08011	1.1
159.11670	1.1
161.09555	1.0
163.11221	5.4
165.09100	100.0
166.09435	1.7
167.07088	1.0
173.09512	0.9
175.11130	2.6
179.10611	0.8
181.12251	1.6
191.07076	0.8
191.10695	1.2
193.12218	6.2
205.12173	1.9
209.11678	2.3
211.13190	7.9
227.12791	2.7
247.13199	3.0
249.14838	1.1
267.15906	1.6
283.15353	2.1
285.10068	1.7
321.16824	1.3
323.25705	1.3
331.18988	1.1
383.22229	1.2
401.23270	1.9
457.33057	1.0
460.62247	0.7
475.26697	6.4
475.33768	2.0
487.75201	0.8
493.28311	20.0
493.34824	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2793
Annotation	Mucronine B
Peak:m/z	Relative Intensity
50.01579	0.7
53.03933	2.4
55.01864	7.9
55.05505	21.8
57.03431	8.3
57.07057	0.8
59.04984	2.5
65.03925	1.7
67.05497	24.4
69.03414	3.6
69.07064	5.4
71.01328	0.8
71.04995	5.5
77.03926	0.6
79.05486	28.8
81.03407	43.2
81.07044	27.4
82.07396	0.6
83.01330	5.6
83.04972	17.4
83.08610	19.2
84.01237	0.5
85.02898	20.2
85.06527	1.5
91.05472	25.9
93.07031	26.1
95.04955	22.1
95.08595	9.9
97.02892	3.0
97.06516	4.5
97.10149	3.2
99.00622	0.5
99.04418	1.7
99.08088	0.7
103.05461	1.0
105.04523	0.8
105.07018	22.0
107.04937	9.1
107.08577	13.0
109.02859	0.5
109.06506	8.1
109.10136	4.1
111.04426	4.4
111.08067	7.3
113.05992	1.7
115.05479	1.6
117.07001	8.5
119.08566	14.2
121.06498	4.0
121.10134	9.6
123.08054	7.9
123.11659	1.3
125.05977	1.4
125.09585	2.5
127.07576	0.6
128.06287	0.8
129.07002	6.5
130.07761	1.1
131.08542	8.3
133.06487	1.9
133.10100	6.1
135.08029	1.8
135.11674	7.5
137.09593	2.0
139.07590	0.7
142.07777	1.6
143.08537	0.9
145.06502	0.9
145.10110	9.6
147.08037	2.8
147.11676	8.1
149.09625	3.6
153.12726	3.3
155.08554	1.4
157.10098	6.3
163.11162	18.9
163.12529	1.0
165.09172	0.6
165.12733	1.8
173.09544	2.6
175.11176	9.1
175.12700	0.8
181.12218	3.5
191.10683	2.3
193.12221	37.0
209.11703	6.2
211.13263	45.5
227.12778	3.7
247.13087	0.7
249.14891	1.3
267.15851	3.4
283.15366	2.4
288.69763	0.6
365.21277	0.7
383.22122	2.2
401.22922	1.1
419.24176	0.8
457.26019	1.0
475.26837	3.8
493.27905	100.0
494.28287	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	493.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.7
54.03725	1.2
55.01865	13.4
55.05262	2.0
55.05506	27.8
57.03436	9.0
59.04990	2.3
61.02900	1.5
65.03927	5.0
67.05501	54.2
69.03407	6.4
69.07051	11.2
70.09167	7.4
70.92708	1.4
71.04993	7.2
71.05357	1.5
78.55361	1.3
79.05483	41.9
81.03413	63.0
81.07051	39.3
83.01331	2.1
83.04974	23.1
83.08614	23.8
85.02894	12.5
85.06520	3.2
91.05471	35.5
93.03390	1.3
93.07036	42.2
95.04958	31.9
95.08601	23.8
97.02870	5.6
97.06515	10.0
97.10168	14.1
98.20809	1.9
99.04433	3.0
99.08067	2.2
103.05458	1.7
105.07027	26.1
105.95767	1.5
107.04944	24.9
107.08576	24.2
109.02862	1.8
109.06497	9.7
109.10143	22.6
111.04436	15.3
111.08083	13.8
113.05969	2.3
115.05441	2.0
117.03392	2.4
117.07004	11.2
119.04927	3.7
119.08574	21.8
121.02869	15.3
121.06535	10.2
121.10143	17.6
123.04391	6.9
123.08054	5.2
123.11676	2.4
125.05983	2.9
125.09597	14.2
127.03896	2.2
129.05499	2.2
129.06998	11.4
131.04901	2.8
131.08548	15.8
133.06465	5.4
133.10118	9.8
135.04347	8.2
135.08073	5.1
135.11684	21.1
137.05957	3.8
137.09634	2.9
137.13251	1.6
139.03865	2.6
141.06970	3.0
142.07712	2.4
143.03416	1.5
143.08548	5.1
145.02837	6.5
145.06404	2.2
145.10088	17.2
146.03201	2.5
147.04401	4.7
147.08023	5.5
147.11679	9.9
149.05968	3.8
149.09612	6.9
149.13338	1.9
151.03911	3.9
151.07515	1.9
151.11142	1.6
153.01814	14.0
153.09146	2.9
153.12729	14.3
154.02179	4.1
155.02391	3.4
155.08522	3.4
157.10097	11.5
159.11687	3.6
161.05852	2.1
161.09566	1.9
161.13174	2.1
163.07553	1.6
163.11176	22.2
165.05441	2.3
165.09134	3.9
165.12708	3.1
167.06958	2.0
167.08315	1.8
169.10092	1.9
171.11674	2.0
173.09554	3.6
173.11749	3.6
173.13263	4.5
175.07544	1.5
175.11191	9.5
177.05476	12.3
178.05788	4.0
179.05943	3.4
181.12190	10.8
183.11702	5.3
185.09654	1.6
185.13257	2.1
187.11163	1.9
189.05376	2.3
189.11208	8.7
191.10693	8.4
191.14279	1.6
193.12222	31.5
201.12791	4.2
201.14619	1.9
205.12193	2.9
209.11720	13.1
211.11298	3.2
211.13268	31.7
219.13835	5.7
227.12762	41.4
227.14905	3.1
229.12335	2.5
229.14401	5.3
231.00555	1.5
231.13780	3.3
247.13290	26.4
249.14819	8.6
259.13287	2.3
265.14423	4.1
267.15817	20.0
276.13565	1.4
283.15436	17.9
303.08575	2.3
321.17044	7.6
331.18890	2.3
337.21494	2.1
341.17487	1.9
341.21164	1.5
355.22473	2.7
373.23636	2.4
383.22214	9.1
401.23163	8.1
419.24277	3.2
457.25943	1.8
475.26868	50.1
493.27911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01860	0.8
55.05494	2.1
57.03418	1.0
57.07061	0.9
59.05004	0.8
63.25776	0.5
65.03937	0.7
65.56168	0.5
67.05498	9.4
69.03423	6.3
69.07050	0.8
71.04977	1.5
71.60195	1.2
78.03443	4.3
79.05484	1.5
80.04996	1.9
81.03409	6.4
81.07044	2.3
83.04956	0.9
85.02892	6.8
85.06531	5.3
85.48792	0.7
90.53510	0.5
91.05470	3.0
93.01437	0.5
93.07012	3.8
95.04946	1.6
95.08599	22.1
96.04488	2.3
97.02865	2.2
99.04427	1.7
103.03912	0.6
105.07018	7.7
106.02909	19.6
107.04926	0.9
107.08578	3.6
109.02878	4.9
109.06533	2.6
109.10153	1.7
113.06009	2.1
119.07775	1.0
119.08569	10.9
121.06501	1.9
121.10140	4.3
123.04415	1.9
123.08063	9.4
123.11702	2.5
124.03943	100.0
127.03889	3.6
131.08545	1.2
133.06415	0.6
133.10106	3.2
135.08058	1.1
135.11678	2.5
137.09596	1.5
138.05493	4.8
139.03862	1.7
143.08549	0.9
145.04930	1.1
145.10095	1.2
147.08084	1.3
147.11687	9.7
149.09605	19.0
151.07553	2.2
151.14883	0.7
153.01822	1.7
156.09363	1.8
159.07968	1.2
160.08824	0.8
161.09656	0.6
161.13239	5.3
163.11174	2.2
165.12767	2.0
167.07100	0.7
167.43509	0.5
171.11703	2.3
174.10410	4.5
183.39178	0.6
189.12741	20.8
191.14417	1.1
207.13789	19.3
207.67656	0.6
209.45732	0.6
226.07069	1.5
232.06029	1.5
250.07054	7.1
268.08139	55.8
284.07565	1.0
286.09189	39.0
474.15100	1.2
474.21182	11.6
492.22174	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	493.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
55.01870	12.0
55.05510	27.6
57.03437	11.5
57.07063	2.3
59.04988	3.5
64.50786	0.8
65.03928	3.1
67.05502	48.8
69.03426	6.2
69.07066	11.7
71.01320	1.5
71.04988	6.4
73.02898	1.6
79.01701	0.7
79.05486	43.5
81.03413	62.3
81.07051	38.9
83.01325	3.3
83.04973	22.4
83.08613	25.8
83.09113	1.5
85.02901	17.9
85.06541	3.1
91.05476	42.8
93.03419	1.5
93.07037	38.4
95.04966	32.2
95.05558	1.9
95.08599	16.8
95.09155	1.3
97.02876	4.6
97.06522	7.4
97.10156	10.5
99.04473	2.6
99.08101	2.6
103.05462	1.1
105.03410	0.9
105.07027	26.3
107.04954	18.3
107.08585	21.8
109.02861	1.6
109.06506	8.1
109.10149	17.9
111.04440	9.3
111.08078	11.1
113.05987	1.7
115.05449	2.5
116.06234	1.0
117.07018	11.8
119.04945	1.7
119.08578	22.7
121.02883	4.1
121.06515	8.2
121.10136	14.1
123.04449	4.2
123.08033	5.8
123.11719	2.8
125.05979	3.2
125.09604	8.9
128.06239	1.1
129.06985	10.5
130.07773	1.4
131.04930	2.6
131.08560	15.5
133.06499	5.1
133.10117	10.1
135.04419	3.2
135.08052	4.7
135.11679	12.6
137.05951	2.8
137.09627	4.3
139.03885	1.6
139.07562	1.6
139.11183	0.9
142.07790	2.5
143.08571	2.8
145.06503	2.7
145.10130	15.9
147.04399	2.7
147.08044	5.1
147.11697	10.8
149.06023	1.5
149.09599	6.3
149.13255	1.6
151.03914	1.1
151.11162	0.9
153.01839	1.6
153.09074	1.7
153.12721	9.4
155.08594	1.9
157.10109	10.6
159.08028	1.9
161.05989	1.0
161.09659	1.7
161.13266	0.9
163.03915	1.1
163.07564	1.4
163.11174	21.6
165.09056	1.7
165.12723	2.2
167.06960	1.1
169.10153	1.4
171.08005	1.3
171.11618	1.0
173.09602	5.2
173.11731	2.5
173.13145	1.3
175.11154	9.9
181.12206	6.7
183.11711	1.4
185.13289	1.7
189.11208	4.6
191.10672	7.6
193.12231	34.9
197.13217	1.0
199.13321	1.5
201.12709	2.0
203.14276	1.4
209.11736	14.5
211.13268	38.5
219.13809	2.2
227.10571	1.2
227.12721	13.9
227.14810	1.0
229.12352	1.0
229.14336	4.3
231.13919	2.0
247.13301	15.0
249.14792	4.0
259.13263	2.0
265.14398	2.9
267.15906	13.5
283.15393	10.6
285.16959	1.0
303.08630	1.7
321.17068	3.1
341.10141	1.0
351.18027	0.9
355.22458	1.2
365.21265	1.9
365.36649	0.8
383.22195	6.3
391.25021	1.1
401.23151	6.3
419.24188	1.6
447.27448	1.8
457.25900	1.9
461.28903	1.0
475.26880	28.6
475.33463	1.7
476.27252	1.3
493.27942	100.0
494.28168	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
55.05510	0.7
57.07070	1.3
59.04987	0.4
65.03943	0.4
67.05494	1.6
68.79307	0.4
68.99780	1.1
69.03419	1.0
69.07053	1.6
70.02953	0.9
70.06583	0.9
71.04965	0.4
71.60572	0.7
72.04519	3.5
72.08153	0.8
73.02908	1.0
77.03909	1.0
79.05471	0.8
83.04990	0.8
85.02898	1.5
85.06528	1.6
86.09694	1.4
87.08087	0.8
90.05550	21.5
91.05457	0.5
93.07031	0.4
95.04956	2.7
96.08179	0.5
97.02836	0.8
98.02397	3.3
99.04447	0.6
100.03973	0.9
103.07578	1.0
105.03389	1.3
105.07030	0.7
111.00798	2.6
113.06001	1.2
115.05441	0.7
116.03441	4.7
117.06996	0.6
119.04907	0.7
121.02978	0.4
123.04424	100.0
124.04759	0.8
124.07586	3.6
127.03915	1.2
135.04419	4.2
137.06012	0.7
138.05527	0.7
139.03108	0.3
139.03897	9.1
139.04898	0.8
142.08635	3.0
145.06482	0.8
147.04419	9.7
147.08073	0.4
150.09126	1.2
150.57762	0.4
151.03879	2.8
153.01843	1.9
155.25726	0.4
157.06424	0.6
160.09683	0.9
161.06035	0.9
163.03937	2.5
163.07532	2.6
167.07071	0.7
174.11259	1.6
177.05388	0.5
184.09688	6.1
185.06009	0.6
189.05470	2.6
202.10738	15.4
220.11795	45.2
224.09206	2.2
227.06975	1.1
245.04416	1.4
247.02252	0.5
255.06544	2.1
273.07562	51.6
274.07904	1.0
285.08603	0.6
295.07291	0.7
303.01453	2.1
331.09280	1.6
354.15488	10.7
362.12341	1.0
379.01370	0.6
379.83707	0.5
474.17682	1.1
492.18405	1.0
492.30496	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60155	0.2
53.03948	0.3
53.42262	0.2
55.05509	1.3
55.89844	0.2
57.03415	0.3
57.07060	0.4
65.73437	0.2
67.05502	4.1
69.07053	0.8
70.17645	0.5
70.18034	0.6
71.04982	0.6
79.05485	1.8
81.03438	0.2
81.07054	4.9
83.04981	0.5
83.08597	0.5
85.06524	0.7
91.05477	1.5
93.07042	1.8
95.04951	0.8
95.08602	3.1
97.06500	0.3
97.10172	0.5
99.08051	0.3
99.92730	0.2
101.06039	0.2
105.07016	0.9
107.04936	1.3
107.08581	1.2
107.09210	0.2
109.06503	0.6
109.10152	6.0
111.08039	0.3
111.11641	0.2
113.06029	0.2
115.05395	0.2
117.03340	0.3
117.07031	0.4
119.04933	0.2
119.07800	0.3
119.08578	2.5
121.06493	1.1
121.10133	0.8
122.07275	1.8
123.04422	0.6
123.08108	0.3
123.10806	0.4
123.11701	7.9
125.09600	0.7
129.07037	0.3
131.08551	0.7
133.10124	0.4
135.08075	0.4
137.09610	11.8
139.07504	0.5
139.11203	0.3
145.02823	0.4
145.06477	0.4
145.10150	0.3
147.08044	0.3
147.11757	0.2
149.09612	0.5
149.13225	0.6
153.01822	0.9
155.10645	0.7
163.11171	0.3
165.09105	100.0
166.09447	1.0
167.06993	0.2
169.10048	0.3
173.11752	0.5
173.13144	0.2
175.11162	0.4
175.14813	0.2
175.66360	0.2
177.05464	0.7
183.10132	0.9
183.11574	0.2
189.12785	0.4
191.14301	0.3
191.18027	0.2
193.42165	0.2
196.26953	0.2
197.13026	0.2
201.11206	1.8
203.14320	0.3
205.12233	0.6
209.18964	0.5
212.03406	0.3
219.13795	0.3
275.16193	0.3
293.24695	0.6
321.24448	0.2
322.87665	0.2
339.25400	1.9
367.22562	0.6
385.23679	0.8
417.26059	0.2
427.31976	0.3
445.32858	0.4
459.27402	2.7
473.32260	0.3
491.30112	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	491.3
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03930	8.7
55.01877	5.7
55.05504	33.6
57.03443	12.9
67.05499	73.2
69.03410	4.7
69.07066	17.4
69.67425	9.0
69.67844	5.9
71.04972	6.7
78.46558	2.7
79.05490	76.5
81.03413	69.5
81.07052	64.4
83.04983	15.5
83.08619	29.4
85.02899	13.2
85.06540	4.9
91.05474	100.0
93.06474	3.2
93.07041	63.0
95.04964	41.7
95.08604	32.6
97.02883	2.8
97.06537	5.2
97.10182	13.4
98.20747	4.3
99.08066	4.6
103.05485	3.9
105.07027	57.7
107.04964	12.9
107.08586	23.9
109.06500	9.9
109.10135	9.6
111.04429	2.5
111.08059	10.6
115.05407	3.7
117.07035	20.4
119.08575	41.1
121.06503	4.0
121.10138	10.9
123.04404	2.5
123.08039	6.1
123.11707	11.8
125.09616	7.2
127.07541	3.2
128.06242	5.0
129.06165	2.7
129.07022	28.5
131.08562	18.6
133.06488	4.5
133.10127	18.8
135.08069	3.0
137.05930	2.5
141.09108	2.3
142.07802	3.8
143.08578	10.8
145.10095	16.9
147.08037	7.0
147.11681	42.5
149.09595	6.2
155.08485	2.6
157.10153	14.8
159.08139	2.2
159.11629	4.6
161.09593	4.4
161.13228	10.0
165.12793	2.3
171.11682	29.3
175.11179	12.1
181.10118	3.7
185.13298	3.7
187.13231	8.4
189.11220	4.6
189.12749	11.1
193.12216	37.7
207.13759	26.3
211.13234	26.3
225.14763	5.1
227.12737	4.9
243.15904	6.9
249.14850	9.8
267.15829	35.3
281.17432	25.1
305.17450	5.0
319.90976	2.5
326.08954	2.6
363.23093	5.0
381.24414	5.5
399.25278	8.5
445.29523	2.7
455.27811	5.4
473.22327	4.6
473.29007	93.6
491.23535	3.7
491.30060	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
59.37835	0.2
65.22961	0.3
67.05489	1.0
75.91125	0.3
79.05489	1.2
81.03368	0.3
81.07054	1.3
83.04987	0.3
87.55095	0.2
91.05489	0.7
93.06529	0.3
93.07034	1.5
93.07561	0.3
95.04955	0.7
95.08594	0.8
98.20721	0.7
101.07076	0.3
105.07015	1.0
107.04962	0.5
107.08583	0.9
109.06526	0.4
109.10179	0.7
111.08031	0.3
117.06998	0.4
119.08596	0.6
121.06531	0.3
121.10131	0.7
123.04476	0.3
123.08085	0.4
129.42023	0.3
131.08571	0.4
133.10170	0.6
135.04355	0.3
135.08014	0.5
135.11688	0.5
143.08618	0.4
145.10117	0.4
147.04439	0.4
147.11699	0.3
149.09714	0.4
163.03860	0.3
163.11261	0.5
173.13327	0.5
177.05453	0.3
316.63242	0.3
329.22949	9.0
422.21072	0.3
491.28247	100.0
492.28693	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	491.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.01873	0.3
55.05502	0.5
61.31880	0.2
63.46785	0.2
67.05504	1.2
69.03419	0.6
69.07053	0.4
69.84145	0.4
69.84555	0.7
71.05004	0.4
72.73048	0.2
79.01851	0.7
79.05476	0.8
80.12245	0.2
81.03423	0.7
81.07045	1.3
83.08604	0.4
85.02925	0.5
89.03928	1.3
89.16377	0.2
89.94004	0.2
91.05476	1.2
93.07045	0.9
95.04981	0.6
95.08624	1.2
97.02879	0.6
97.10184	0.4
98.21472	0.3
99.08128	0.2
105.07008	0.8
107.04951	0.5
107.08605	0.8
109.06559	0.2
109.10159	0.8
115.05353	0.2
117.03364	2.9
119.08565	0.7
120.04443	0.2
121.06522	0.5
121.10110	0.5
123.04430	0.8
123.11726	0.3
125.02351	0.4
125.09602	0.3
131.04904	0.3
131.08577	0.6
133.10086	0.3
135.04359	0.4
135.08076	0.4
135.11713	0.4
137.05975	0.4
137.09610	0.4
139.03891	0.2
143.03430	0.9
145.02827	7.9
145.10184	0.3
147.04387	0.3
147.11650	0.3
149.05968	1.0
151.03909	0.3
153.01822	11.7
154.02077	0.4
155.08607	0.3
157.10172	0.2
159.08112	0.2
159.11700	0.4
161.09581	0.3
163.03877	0.3
165.05461	0.2
165.09082	2.3
167.07048	0.7
177.05464	15.1
178.05835	0.8
181.04872	0.3
186.05518	0.5
191.07066	0.3
191.10689	0.2
191.14287	0.2
215.07037	0.3
219.13905	0.2
233.08118	0.3
238.29050	0.3
239.08850	0.2
243.06564	0.3
261.07611	0.9
273.07565	0.2
285.07553	0.4
303.08597	0.3
329.22958	5.0
336.05865	0.2
385.23611	0.3
437.33707	0.2
459.27670	0.4
473.10742	0.3
491.28238	100.0
492.28558	1.9
501.73322	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.7
51.73906	0.2
53.03929	0.3
55.05502	0.7
60.74517	0.2
63.02382	0.8
67.05500	1.3
69.03426	2.8
69.07066	0.7
69.44853	0.6
69.45262	1.9
78.04716	0.5
79.01834	3.8
79.05482	0.6
81.03409	0.9
81.07053	1.0
83.08598	0.3
83.24168	0.2
85.02908	0.6
89.03904	7.0
90.04290	0.2
91.05479	1.6
93.07026	1.0
95.04961	0.6
95.08617	0.8
95.55594	0.2
97.02885	1.0
97.10191	0.4
103.05435	0.6
105.07059	0.6
106.04144	0.4
107.01288	0.8
107.04945	0.5
107.08553	0.8
109.02855	0.8
109.06478	0.3
109.10152	1.0
117.03365	20.8
117.07001	0.3
119.08532	0.5
121.02794	0.3
121.06473	0.4
121.10105	0.5
123.04388	0.5
123.08085	0.4
123.11673	0.4
125.02320	3.0
127.03908	1.4
131.04909	0.4
131.08563	0.3
133.10115	0.4
134.03613	1.8
135.04408	1.8
135.07990	0.3
135.11656	0.3
137.05974	0.6
137.91109	0.3
143.03377	6.3
143.08516	0.4
145.02827	50.2
145.10109	0.5
146.03195	1.1
147.04388	0.3
147.11676	0.3
149.05972	7.1
153.01811	85.9
153.02760	3.1
154.02138	1.2
155.04933	0.3
157.06441	0.4
158.05991	0.7
161.05923	0.3
161.13145	0.3
162.03105	0.4
163.03926	0.6
167.07121	0.4
177.05449	100.0
178.05801	2.2
181.06458	0.3
186.05518	2.3
187.07535	0.6
189.05437	0.5
193.12117	0.4
199.07526	0.4
201.05455	0.5
213.02197	0.3
213.03946	1.6
215.07028	1.2
217.08580	0.3
231.06619	0.4
233.08061	0.5
241.08568	0.5
243.06474	1.2
247.12952	0.3
257.08115	0.6
261.07574	6.1
264.98004	0.3
285.07480	1.9
303.08649	0.7
321.09500	0.5
329.22858	0.3
466.88293	0.3
473.10580	1.8
473.32703	0.3
491.11963	4.3
491.28244	4.5
499.68399	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76064	2.4
55.05499	7.4
62.36065	2.7
67.05504	16.1
69.07066	22.1
71.04991	20.5
79.05487	3.5
81.07053	34.9
83.08601	5.1
83.24519	2.5
91.05453	7.0
93.07039	17.4
95.08607	66.6
97.10168	4.8
105.07037	15.2
107.08611	32.4
109.10148	36.1
111.11739	6.4
113.06006	7.6
116.69334	2.7
119.08579	33.3
121.10155	33.3
123.11698	17.5
125.09645	3.2
131.07004	8.3
131.08554	7.1
133.10143	22.3
135.11674	19.2
137.09607	5.0
137.13203	7.0
144.35187	3.0
145.10123	10.3
147.11684	17.9
149.13246	11.3
149.78186	3.2
157.10089	5.1
159.11676	10.8
161.13292	13.6
163.14908	3.8
171.11655	9.9
173.13266	11.7
175.14807	11.2
177.16431	4.3
183.10185	9.6
185.13243	10.6
187.14919	13.1
189.16333	5.1
191.17978	23.0
193.19580	3.3
199.14787	3.0
199.75079	2.9
201.16357	5.0
203.17938	6.8
205.19527	7.2
213.01282	2.7
215.17996	6.3
217.19481	13.9
219.21028	5.5
229.19534	10.8
231.21069	6.0
233.15257	3.1
243.21022	6.3
245.15376	3.5
245.22653	14.7
251.16516	3.9
255.20894	3.1
263.16501	3.0
269.22647	3.6
277.17978	3.4
323.27490	7.5
324.28159	4.7
325.28888	59.1
345.24066	3.4
367.33075	4.3
395.33179	27.7
437.34229	19.2
455.35239	100.0
456.35269	3.4
473.36313	23.2
491.29919	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	491.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48034	0.2
51.02391	0.5
51.22967	0.2
55.01868	0.4
55.05511	0.3
62.01641	0.2
63.02374	0.5
67.05508	0.4
69.03425	1.0
70.86129	0.4
70.86486	0.5
71.01366	0.3
78.04731	0.3
79.01846	3.3
79.05489	0.2
81.03397	0.6
81.07056	0.6
85.02844	0.2
88.40555	0.2
89.03913	7.7
91.05479	1.1
93.07018	0.6
94.14314	0.2
95.04977	0.5
95.08615	0.6
97.02898	1.0
103.05477	0.6
106.04190	0.4
107.01316	0.8
107.04931	0.3
107.08610	0.4
109.02877	0.9
109.10143	0.6
117.03374	23.4
117.07048	0.4
119.04960	0.3
121.02850	0.8
121.06483	0.3
121.10110	0.3
121.18746	0.3
123.04423	0.4
124.05175	0.4
125.02345	2.9
125.09663	0.3
127.03871	0.7
129.06987	0.4
131.04922	0.5
133.10126	0.7
134.03625	1.7
135.04378	1.7
137.05943	0.3
137.09625	0.3
143.03394	5.9
143.08580	0.3
144.05634	0.2
145.02838	55.0
146.03227	0.4
147.04372	0.4
149.05977	7.8
152.81329	0.2
153.01822	79.4
154.02168	0.5
155.04979	0.2
157.06462	0.7
158.06053	0.5
159.08067	0.3
161.05991	0.5
162.03050	0.2
163.03896	0.6
165.09053	0.5
167.07027	0.8
171.08041	0.5
173.05971	0.5
174.06760	0.3
175.07469	0.4
177.05461	100.0
178.05809	1.2
181.04980	0.4
181.06488	0.3
183.04350	0.3
184.05220	0.3
186.05466	2.6
187.07559	0.6
189.05441	0.7
189.87146	0.2
191.07030	0.6
199.07509	1.0
201.05449	1.0
201.09064	0.2
209.07997	0.3
213.03926	1.2
215.07045	2.3
217.08542	1.3
228.04144	0.3
231.06578	0.3
233.08070	1.2
241.08617	0.7
243.06586	1.5
249.90292	0.3
257.08096	1.3
261.07578	10.1
279.04993	0.3
285.07532	2.6
303.08643	1.3
317.14612	0.3
321.09720	0.3
473.10803	2.8
491.11420	1.3
491.18732	0.7
491.29309	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05790	0.8
55.05308	0.7
55.05515	7.4
55.89999	0.9
57.03431	1.7
57.07064	1.7
59.04998	1.4
60.03594	0.8
61.05032	0.8
67.05505	22.1
68.05492	0.9
68.05833	4.7
69.03442	0.9
69.07069	11.2
69.54122	4.1
69.54550	3.0
71.04987	2.2
76.85649	1.0
79.05489	10.1
80.05818	1.3
81.07054	18.8
82.07390	1.9
83.04984	0.8
83.08611	5.5
84.08978	0.9
85.06509	0.9
91.05470	7.6
92.05810	1.9
93.07044	12.5
94.07365	3.0
95.04985	1.3
95.08604	24.6
96.08936	2.0
97.06544	1.9
97.10169	1.8
98.20780	1.8
105.07029	9.5
106.07349	1.4
107.08598	14.7
108.08922	2.2
109.06506	2.1
109.10152	24.0
110.10494	4.1
111.08083	1.7
111.11713	3.5
117.07031	1.6
119.08572	12.9
120.08910	1.7
121.10149	15.5
121.10934	1.7
122.10440	2.2
123.08088	1.4
123.11704	3.9
125.09667	1.4
129.07008	1.5
131.08543	5.6
132.08838	1.2
133.10120	12.3
134.10471	2.1
135.11725	7.4
136.11996	1.1
137.09598	2.7
137.13297	2.1
139.11194	1.4
140.78009	0.8
143.08569	3.0
145.10152	8.9
146.10490	1.2
147.11710	7.3
148.12050	1.7
149.09596	2.8
149.13226	3.0
157.10080	4.2
158.10925	1.1
159.11678	9.0
160.12009	2.1
161.09665	2.6
161.13252	5.2
162.13672	1.0
163.11183	1.7
169.10077	1.9
171.11691	6.1
173.11745	3.4
173.13281	8.3
174.12181	1.2
174.13646	1.4
175.11172	2.8
175.14844	2.7
177.12746	0.9
177.16368	2.9
182.10808	1.0
185.13335	5.0
187.14835	5.5
188.15242	1.0
189.12688	1.5
189.16345	5.0
191.14284	1.4
191.17963	7.6
197.13298	2.5
199.14845	3.2
201.12743	1.4
201.16399	2.1
203.14343	1.1
203.17940	9.5
207.17458	1.3
209.13344	1.3
211.14856	1.3
213.12817	1.0
213.16321	2.0
215.14397	2.0
215.17995	2.1
217.15880	1.1
217.19441	2.3
219.17442	5.9
223.14856	0.9
229.15886	1.0
229.19498	1.1
233.15460	2.6
251.16473	1.4
257.22632	2.3
263.16541	2.2
269.22592	1.0
291.19760	1.1
299.23883	1.1
379.30020	1.4
380.30383	1.9
393.31638	3.1
398.31403	3.6
401.32077	2.3
419.33005	7.5
437.34198	20.7
438.34323	1.2
455.35254	13.5
472.34909	6.0
473.36270	100.0
474.36588	4.5
490.36111	47.8
491.29742	3.2
491.36893	4.9
514.38568	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3574
Annotation	Lycoclavanin
Peak:m/z	Relative Intensity
55.01872	4.5
55.05507	7.8
67.05501	24.9
68.82520	2.9
69.03418	7.0
69.04590	2.5
69.07073	23.6
70.63142	11.5
79.05473	17.7
81.07047	35.3
83.04977	7.5
83.08615	9.6
91.05474	13.0
93.07026	24.6
95.04947	9.1
95.08602	48.8
97.06503	3.1
97.10190	3.6
98.98472	11.4
99.04422	3.7
105.07020	23.1
107.08586	30.0
109.06490	4.8
109.10148	31.2
111.08071	5.7
111.11689	2.8
117.07052	6.2
119.08579	33.7
121.06513	5.8
121.10133	33.0
123.08064	6.7
123.11734	13.1
131.08545	13.7
133.10121	37.8
135.08063	15.8
135.11674	18.7
137.09579	4.2
137.13260	11.8
142.07784	3.8
143.08543	6.2
145.10127	15.5
147.08040	6.5
147.11679	10.9
149.09584	8.7
149.13216	9.1
155.01068	7.6
156.09338	3.2
157.10164	11.7
158.10893	3.3
159.08044	5.0
159.11696	20.6
161.09642	9.1
161.13243	8.4
163.11183	3.7
163.14784	5.5
169.10153	7.6
171.11679	10.5
173.09645	7.9
173.13272	16.9
175.11172	6.3
175.14821	10.7
177.12694	4.6
177.16351	5.2
183.11739	6.2
185.13266	10.7
187.11119	4.6
187.14830	4.3
189.12732	8.5
189.16403	6.6
191.14293	3.8
191.17941	5.7
195.11569	4.0
197.13275	5.7
199.11060	3.8
199.14803	4.9
201.12776	12.7
201.16411	2.8
203.14310	9.7
203.17924	4.3
207.13849	4.6
209.13397	4.0
213.12842	4.5
213.16402	4.3
215.17999	4.9
219.17404	3.6
220.12367	2.9
221.13188	6.3
223.11099	5.1
225.16322	5.1
227.14375	5.3
229.12328	6.7
229.15758	3.9
231.17358	3.2
236.15526	6.3
238.13560	5.3
241.15981	3.4
243.21025	4.6
249.12708	4.7
251.17947	12.8
253.15854	100.0
259.20551	4.0
264.15140	3.4
279.17429	52.4
283.23605	3.5
297.18585	5.1
317.24866	3.3
335.25751	12.3
353.28354	3.2
389.32034	4.6
391.29791	17.1
405.31204	5.1
407.33008	29.5
417.31464	25.1
423.32437	11.6
435.32550	80.1
453.33694	95.9
471.34818	65.5
489.35876	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3574
Annotation	Cimigenol
Peak:m/z	Relative Intensity
50.37094	1.0
53.03938	1.7
55.01872	1.1
55.05508	12.7
55.74765	1.0
57.03428	3.1
57.07068	2.3
59.04996	4.1
65.03934	2.2
65.47095	0.9
66.04025	1.2
67.05502	84.5
69.03419	2.2
69.07062	14.1
71.04987	6.2
77.33572	1.3
79.05488	27.7
81.03406	1.8
81.07052	41.4
83.04990	2.7
83.08617	8.8
85.06551	3.6
91.05471	20.7
91.05993	1.4
93.07042	33.5
94.08796	1.1
95.04952	5.8
95.08601	28.6
97.06556	3.2
97.10187	2.5
99.08090	2.2
105.07017	19.1
107.04975	1.5
107.08591	21.1
109.06547	2.5
109.10152	55.3
111.08098	4.4
117.07025	7.8
119.08564	19.1
121.10129	18.7
123.08080	2.1
123.11661	5.1
125.06012	2.8
125.09641	2.8
129.07040	3.9
131.08559	10.5
133.10138	11.9
135.11687	10.4
136.12083	1.2
137.09633	4.5
137.13249	1.8
141.06909	1.4
143.08607	3.5
145.10118	11.1
147.07939	1.2
147.11707	8.1
149.09642	1.4
149.13232	5.6
155.10690	3.0
157.10173	3.8
159.11673	7.9
161.13298	4.7
163.14847	1.4
169.10123	2.6
171.11739	4.4
173.11792	15.4
173.13318	6.1
175.11203	1.5
175.14922	3.1
177.12819	1.3
177.16472	1.3
180.14146	1.2
183.11723	2.3
185.13307	3.3
187.14859	4.5
189.16391	1.8
191.18074	1.7
193.12302	1.4
199.14812	2.4
201.12949	1.6
201.16336	1.2
203.14256	1.5
203.18095	1.4
211.14977	1.9
213.16653	1.5
227.18040	1.4
229.67056	1.4
233.15552	1.2
241.19643	1.3
245.19078	1.5
261.22208	3.1
271.20688	1.1
301.85605	1.3
307.19073	1.4
345.25537	1.2
379.30280	3.0
397.31174	3.5
435.32748	1.9
453.33762	4.8
454.33899	2.9
458.67917	1.3
471.35364	8.5
472.35031	3.7
489.35953	100.0
490.36548	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	489.3573
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
51.23106	0.7
53.03930	2.2
55.05509	11.6
57.03418	2.8
57.07066	2.3
59.04987	1.5
62.57077	0.8
65.03942	1.7
67.05500	57.5
69.03431	0.8
69.07066	12.6
70.69883	2.4
71.04977	3.2
71.08620	1.1
79.05487	22.0
81.07052	32.0
83.04959	1.9
83.08619	6.3
85.06544	2.3
91.05475	15.4
92.18546	0.8
93.07038	26.7
95.04961	4.2
95.08601	30.9
97.06515	2.3
97.10148	3.4
105.06370	1.6
105.07021	16.9
105.07682	1.5
107.08582	17.7
108.75372	0.8
109.06504	2.0
109.10149	42.9
111.08066	3.5
111.11687	1.6
117.07012	7.1
119.08568	17.9
121.06525	1.1
121.10138	16.4
123.08032	2.6
123.11707	5.1
125.09625	1.8
129.07016	3.8
130.07791	0.8
131.08571	13.1
133.10120	12.8
133.11058	1.1
135.08061	2.9
135.11668	10.8
136.74118	1.0
137.09602	2.6
137.13261	1.5
139.11183	1.8
139.45219	0.9
141.06944	1.3
143.08528	4.2
145.10095	11.8
147.08089	1.9
147.11668	10.6
149.09543	1.8
149.13252	6.4
155.08513	1.8
155.10672	1.0
157.10104	5.2
159.11679	11.5
161.09645	2.0
161.13290	5.3
162.10272	1.1
163.11150	0.9
163.14828	1.6
165.12756	0.8
169.10129	2.8
170.10909	1.4
171.11676	4.1
173.11748	8.2
173.13269	11.1
175.11174	2.2
175.14799	3.5
177.12776	0.9
177.16412	1.0
177.43138	0.9
181.10190	1.1
183.11705	3.2
185.13295	5.8
186.10420	1.2
187.11172	1.7
187.14813	3.4
189.16393	1.6
191.18019	1.8
191.59282	0.8
197.13235	1.6
199.14816	1.8
201.12788	4.2
201.16406	2.1
203.14374	3.2
205.19534	4.9
207.17413	1.2
211.14877	1.6
215.14372	1.2
215.17920	1.9
217.15897	1.6
219.13802	3.0
219.17424	1.8
221.15390	1.0
225.16458	1.3
227.17992	1.6
229.12152	1.3
231.17444	1.5
233.19026	1.0
241.19574	1.2
243.21147	1.1
247.13344	3.1
249.14769	2.0
259.20645	0.9
261.22095	2.2
265.14279	4.8
267.15799	1.7
285.22095	2.3
299.23584	1.1
317.24664	1.2
345.24509	0.9
363.25366	1.1
379.29886	4.4
391.29236	1.4
397.30997	7.8
409.63315	0.8
415.32147	2.6
435.32477	2.7
453.33621	4.7
457.33368	1.4
459.98398	0.9
471.34726	25.3
489.35736	100.0
490.36237	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	489.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.2
55.05503	22.0
57.07066	12.7
61.88148	2.2
67.05498	33.2
69.07058	40.7
69.53667	12.0
69.54083	8.2
71.04971	5.1
78.56503	2.5
79.05488	22.3
80.54480	2.5
81.03373	3.1
81.07056	100.0
83.08613	24.1
85.02891	7.3
85.06522	7.1
85.10147	2.5
91.05480	12.9
93.07034	37.0
95.04952	7.0
95.08600	87.8
97.02901	3.5
97.06553	2.9
97.10149	16.1
99.08061	7.5
105.07011	15.3
107.08593	39.8
109.06504	3.1
109.10149	60.9
111.08075	3.7
111.11726	13.9
119.08580	11.2
121.10149	25.2
123.08070	4.3
123.11706	31.2
125.09576	4.7
126.35181	2.4
127.07554	5.0
133.10123	13.0
135.11691	21.9
137.09566	7.8
137.13249	12.6
141.09058	3.0
147.11693	10.0
149.13232	32.5
151.14809	4.2
155.10692	4.0
161.13252	8.7
163.14819	17.5
165.12822	3.7
165.16342	4.6
167.06987	4.4
175.14862	5.4
177.16374	6.5
183.21021	2.6
189.16455	2.5
191.17946	4.7
199.14799	2.8
217.19481	5.1
225.35170	2.6
229.00592	3.1
247.24240	3.6
261.25797	4.7
273.25659	13.1
279.26810	11.8
279.97287	3.0
291.26736	18.3
309.27744	9.2
399.28586	3.6
489.35449	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	489.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.4
53.89773	1.3
55.01829	1.7
55.05510	20.9
57.03430	2.8
57.07077	13.4
57.51816	1.8
67.05499	32.9
69.03412	3.8
69.07059	38.5
69.39391	4.1
69.39812	12.9
71.04991	2.4
71.08619	7.0
79.05476	18.4
79.60844	1.6
81.03391	2.8
81.07050	100.0
82.32521	1.5
83.08610	23.2
85.02901	10.8
85.06541	9.7
85.10161	2.5
87.84529	1.5
91.05473	8.9
93.07030	37.0
95.04942	6.9
95.08596	88.2
97.02877	3.5
97.06520	4.1
97.10166	16.5
99.08080	7.2
105.07018	18.9
107.08585	33.7
109.02840	2.9
109.10146	50.1
111.08044	3.2
111.11714	11.8
113.09624	2.4
119.08552	14.9
121.10132	24.3
123.08084	1.7
123.11701	24.8
125.13277	3.1
131.08476	2.2
133.10120	14.3
135.11668	18.8
135.50665	1.5
137.09590	4.2
137.13252	11.6
139.11177	3.1
147.11667	9.7
149.09750	1.5
149.13243	27.7
151.14798	6.3
153.01813	15.1
155.10591	3.7
161.13208	7.5
163.14821	18.6
165.12712	3.4
165.16389	5.1
167.07019	2.6
169.15930	1.9
175.14828	4.5
175.40509	1.5
177.16339	7.3
179.18042	3.0
189.16342	3.3
191.17966	4.3
203.17944	2.3
217.19397	2.9
261.25888	2.7
265.25061	1.9
273.25735	13.2
279.26746	12.7
291.26755	25.0
309.27838	16.4
327.28937	5.8
408.49478	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19160	2.6
53.03941	4.8
53.84354	2.8
55.01869	3.3
55.05513	18.8
57.03435	3.0
57.07067	11.9
59.04968	3.7
60.73611	2.8
64.99516	2.8
67.05502	44.7
69.03421	12.0
69.07058	39.5
70.01057	13.3
71.05002	4.1
71.08641	6.4
73.02914	3.8
75.41798	3.5
79.05488	26.3
79.97354	2.8
81.03401	5.3
81.07053	100.0
83.04980	5.7
83.08604	28.7
85.02908	16.9
85.06543	7.8
91.05494	21.8
93.07034	47.4
95.04974	15.7
95.08603	81.9
97.02880	7.2
97.06503	7.8
97.10174	15.9
99.08085	7.0
105.07027	28.6
107.04959	4.3
107.08587	39.5
109.06490	6.8
109.10146	47.3
111.08097	5.3
111.11706	10.9
111.69428	2.7
119.08563	26.6
121.06487	5.9
121.10130	35.7
123.08067	6.7
123.11703	20.9
127.03950	6.1
131.04901	3.7
131.08524	7.2
133.10118	22.6
135.11687	20.9
137.06003	6.4
137.09596	11.9
137.13286	8.1
143.08553	6.9
145.10129	9.5
147.04420	4.9
147.11668	16.9
149.13251	25.4
151.11169	3.6
153.16718	3.0
155.55975	3.7
157.10127	6.1
159.11682	8.2
161.13206	14.0
163.14832	11.9
165.09106	11.7
165.12692	4.0
166.08606	3.0
167.07077	10.8
171.11703	5.4
172.94025	2.8
175.11200	4.1
175.14841	5.8
177.05402	4.6
177.16406	8.1
179.18054	3.3
181.04982	7.6
185.13309	4.1
189.16434	5.5
191.07123	3.2
191.17953	4.6
199.14697	3.1
203.17963	4.7
211.68639	2.7
217.19627	5.2
261.25693	4.1
273.25613	15.8
279.26910	10.1
291.26752	20.2
309.27866	12.6
315.13065	2.8
327.28925	4.2
417.29773	4.5
456.37744	3.1
489.17502	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	489.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59420	1.2
53.03934	2.0
55.01857	1.3
55.05495	4.7
57.03417	1.8
57.07053	2.5
67.05502	6.5
69.03409	4.9
69.07058	9.4
70.43097	1.2
70.79466	2.5
70.79832	2.3
71.04982	1.1
79.01822	1.7
79.05476	4.7
81.03427	6.2
81.03849	1.3
81.06623	1.8
81.07049	14.2
83.04947	1.5
83.08610	5.5
85.02899	7.8
85.06532	3.5
91.05478	7.7
93.07028	6.4
95.04972	2.2
95.08598	13.2
97.02856	4.8
97.06454	1.2
97.10152	2.1
99.08086	1.5
105.07033	6.6
105.57410	1.1
107.01367	1.4
107.08570	6.5
109.02855	5.1
109.10165	7.8
111.04403	1.8
111.08101	1.5
117.03316	1.1
117.06973	1.5
119.08554	5.2
121.06459	1.7
121.10149	8.4
123.04402	4.9
123.11687	2.8
125.02380	3.0
127.03909	8.3
131.08527	2.3
133.10104	5.0
135.11685	2.6
137.05936	1.7
137.09589	2.9
143.03424	5.6
143.08533	1.9
145.06514	1.4
145.10106	3.2
147.04420	3.0
147.11694	3.6
149.13211	3.5
153.01819	100.0
157.10205	1.2
157.15884	2.6
159.11615	1.4
161.13228	2.4
163.14777	1.6
165.05368	1.5
165.09082	6.0
165.12727	1.2
167.06998	3.5
171.02866	12.6
171.11580	1.6
173.13187	1.3
177.05420	1.4
177.16351	1.9
181.04947	2.7
191.03247	1.3
243.02890	2.4
273.25772	1.7
291.26788	3.1
295.05908	1.6
297.05930	3.7
309.27896	2.4
315.07056	17.5
333.04074	1.1
351.03366	1.2
447.10678	2.7
489.17285	4.2
489.23032	3.2
489.29391	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	489.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62627	0.8
53.03936	1.1
54.69677	0.8
55.05503	8.2
57.03436	1.4
57.07067	2.7
59.05003	2.0
65.03933	0.9
67.05498	12.8
69.03425	7.1
69.07064	11.0
70.06606	1.3
71.04978	6.7
71.60513	1.2
79.05492	3.6
81.03403	2.5
81.07050	21.2
83.04977	8.9
83.08601	6.1
85.02902	4.3
85.06535	3.2
89.06032	13.5
91.05468	4.2
93.07039	9.5
95.04950	2.8
95.08591	30.7
97.02290	1.2
97.02866	5.0
97.06523	2.1
97.10172	1.7
98.97589	1.3
99.04453	2.0
99.08086	3.5
105.07034	5.0
107.05016	1.6
107.08587	17.6
107.09289	1.3
109.02856	2.2
109.06514	8.6
109.10146	78.2
110.10461	1.1
111.08075	3.8
111.11736	1.3
113.09634	1.9
117.07055	1.2
119.04942	1.1
119.08575	26.4
121.02821	1.8
121.10130	11.3
123.04427	9.6
123.08058	9.0
123.11709	8.7
125.09595	1.4
127.03906	2.7
127.11192	1.6
131.08572	1.7
133.10133	15.1
135.06467	1.0
135.11681	70.4
137.06003	1.6
137.09593	12.8
139.03874	6.1
139.11154	2.6
145.04903	1.4
145.10094	1.9
147.04369	5.8
147.11687	2.0
149.13246	6.4
151.03941	1.0
151.11156	6.4
151.14806	9.4
152.06177	0.9
153.01817	6.2
153.12706	2.4
159.11688	1.7
163.14832	1.2
165.09093	3.9
165.12823	1.1
165.16393	2.4
173.46803	1.1
175.14813	32.3
191.03383	2.3
193.15872	45.8
211.16910	100.0
212.17334	1.9
249.55800	1.2
273.07541	1.1
273.25885	1.0
291.26794	1.0
327.03268	2.4
357.10007	1.4
400.02692	1.0
489.22092	3.8
489.34219	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85040	0.2
63.22411	0.2
67.05478	0.4
69.03431	0.2
69.07050	0.2
70.11087	0.6
70.11510	0.5
73.06551	0.2
79.05492	0.4
81.03403	0.3
81.07027	1.0
83.04960	0.2
83.08584	0.3
85.02897	0.4
91.05466	0.3
93.07069	0.3
95.08589	0.8
98.20800	0.2
102.94738	0.2
105.07042	0.3
107.08559	0.3
109.10139	0.5
112.41068	0.2
112.56892	0.2
119.08575	0.5
121.02842	0.7
121.10120	0.4
123.04416	0.7
123.11718	0.3
133.10117	0.2
135.11661	0.2
139.03877	0.2
144.41595	0.2
147.04482	0.2
147.91779	0.2
149.13277	0.2
153.01834	1.2
163.14771	0.2
179.03459	0.3
197.95856	0.2
273.07541	0.2
275.07443	0.4
315.07715	0.2
317.08456	0.5
335.09396	0.4
357.18774	9.4
471.20731	0.2
489.23029	100.0
490.23462	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	489.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.2
50.49900	0.1
51.02375	0.4
53.00294	0.2
53.03937	0.3
55.01857	0.2
55.05509	0.7
57.03415	0.1
57.07058	0.2
57.14299	0.1
67.05499	1.3
69.03426	0.6
69.07062	0.8
71.04977	0.3
71.19453	0.2
74.14027	0.1
77.17603	0.1
79.01849	3.1
79.05483	0.4
81.03410	1.7
81.07047	1.7
83.04964	1.0
83.08610	0.3
85.02924	0.2
85.06517	0.3
89.06055	0.2
91.05460	0.4
93.07033	0.8
95.04946	0.2
95.08047	0.2
95.08602	2.1
97.02882	1.2
97.06502	0.1
97.10186	0.3
99.04479	0.1
99.08109	0.2
103.05466	0.1
105.07020	0.7
107.01309	0.7
107.08582	1.4
109.02874	4.3
109.06513	0.5
109.10148	5.0
111.08069	0.3
115.05390	0.1
119.08570	2.4
121.10133	0.9
123.00753	0.2
123.04416	0.7
123.08050	1.1
123.11715	0.6
125.02334	3.0
125.09631	0.2
125.45907	0.1
127.03890	0.3
129.06946	0.1
131.04916	0.7
133.10117	1.3
135.11682	6.2
137.02382	0.1
137.05965	0.2
137.09595	1.2
139.03912	0.7
143.03386	6.6
145.10130	0.2
147.04408	0.3
147.11661	0.2
149.09589	0.2
149.13240	0.5
151.03882	0.2
151.11174	0.7
151.14848	0.6
151.15869	0.1
153.01816	100.0
154.02129	1.0
159.04382	0.8
163.03908	0.4
165.09058	0.2
165.16417	0.2
171.04355	0.3
175.14804	2.0
177.05437	0.4
181.01315	0.7
183.02901	0.2
187.04004	0.3
189.05443	0.2
191.03412	0.2
191.14278	0.2
193.15863	5.3
197.00888	0.1
205.04959	0.9
207.02881	0.2
211.16928	2.2
211.18777	0.2
215.03377	0.6
217.05028	0.6
233.04454	2.2
243.02864	0.9
261.03928	2.1
279.04950	2.0
301.17987	0.1
319.19037	0.2
327.08774	0.6
337.20303	0.2
489.23340	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10828	1.7
51.65789	1.8
53.74890	2.0
54.06315	1.8
55.05511	3.8
67.05483	5.8
69.07050	6.7
69.31107	1.7
69.98147	12.9
73.56630	1.9
75.56451	1.8
79.05489	4.7
81.07052	10.4
83.08595	4.5
83.54043	2.0
91.05461	4.1
93.07031	8.6
95.08601	26.1
98.20768	2.6
105.07025	10.3
107.08588	24.7
109.10136	16.2
118.97179	2.3
119.08570	22.0
121.10136	21.0
122.40252	2.3
123.11697	4.6
133.10139	25.7
135.11665	8.5
145.10114	8.8
147.11658	13.3
148.30418	2.0
149.13231	7.2
159.11696	9.1
161.13226	13.4
163.11203	4.8
163.14848	10.8
173.13235	3.9
175.14839	12.0
177.12674	2.2
177.16321	14.8
185.13362	2.4
187.14822	11.0
189.16417	17.1
191.17876	4.5
201.16379	3.9
203.17952	100.0
205.15878	30.4
207.17514	3.8
209.85352	2.0
215.17914	3.8
223.16943	5.7
263.20038	25.8
334.16245	1.9
342.85291	2.3
409.29642	2.9
409.34671	46.6
410.34564	2.6
427.35770	3.1
430.46762	2.2
437.34003	2.8
467.30362	2.0
469.36761	5.4
487.36032	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	487.3416
Annotation	Acerinol
Peak:m/z	Relative Intensity
53.84798	1.0
55.01865	2.0
55.05506	5.5
55.36925	0.9
57.07094	1.4
61.02919	1.3
67.05495	6.5
69.03426	2.6
69.07062	12.8
69.26711	7.2
69.27137	4.4
71.04991	1.4
79.05486	2.2
81.03387	0.9
81.07043	8.7
83.04992	1.4
83.08616	8.6
85.02920	1.0
85.06565	1.4
91.05466	3.0
93.07037	5.8
95.04967	4.1
95.08601	15.0
97.06561	1.1
97.10163	1.3
105.07046	5.7
107.08574	11.8
107.49371	0.8
109.06527	2.8
109.10168	8.8
111.08077	31.6
113.05988	1.0
115.37245	0.9
119.08570	7.9
121.06480	2.6
121.10124	8.9
123.08057	1.2
123.11705	3.5
125.09621	36.5
129.09123	3.2
131.08600	3.1
133.06479	1.1
133.10138	6.5
135.08066	7.5
135.11711	4.0
137.09593	2.0
137.13251	2.4
143.08543	2.1
145.10112	4.5
147.08032	1.5
147.11653	4.8
149.09630	2.8
149.13263	1.8
151.11186	1.0
153.09125	9.0
156.09348	1.0
157.10143	3.3
159.08089	1.7
159.11707	6.0
161.09599	4.5
161.13235	2.3
163.11209	1.9
163.14842	1.2
169.10149	1.2
171.10158	64.1
171.11548	3.0
173.09631	2.3
173.13258	4.2
175.11206	3.1
175.14873	1.2
177.16425	2.0
183.11765	1.4
185.09700	1.4
185.13290	1.8
187.11200	5.8
187.14833	2.3
189.12717	2.9
189.16438	1.8
191.17972	2.3
197.13298	1.7
199.11174	2.1
199.14827	2.3
201.12762	3.6
203.10808	1.6
203.14304	1.5
203.17990	1.0
205.19643	1.0
208.12451	1.1
209.13376	1.3
211.14778	1.2
213.12727	1.3
215.14297	1.1
217.15849	1.9
219.13803	1.2
222.38615	1.1
227.10774	1.9
227.14326	1.8
231.17456	1.2
233.19131	1.2
269.15384	2.8
271.17020	1.1
273.22220	1.4
287.16440	2.8
337.25281	1.1
381.31430	1.3
391.29745	2.1
399.32596	1.9
409.31256	5.0
423.32782	2.2
427.32135	3.4
433.31128	4.0
439.32184	1.3
451.32132	8.5
469.33255	16.3
487.34195	100.0
488.34647	5.8
502.41360	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3416
Annotation	CHEBI:65783
Peak:m/z	Relative Intensity
55.05501	13.9
57.07064	7.2
67.05494	18.8
69.03419	5.7
69.07056	22.7
70.14652	20.3
71.78761	3.8
79.05487	16.2
81.07053	41.3
83.04970	6.1
83.08614	13.6
89.02331	5.0
90.15248	3.5
91.05476	14.1
92.53870	4.2
93.07039	26.5
95.04970	8.6
95.08608	52.1
97.06495	5.4
97.10149	3.6
98.20834	4.5
104.26737	4.5
105.07021	31.0
107.08595	39.7
108.69342	3.6
109.06518	8.3
109.10153	41.6
111.08066	8.5
111.11691	4.7
117.07000	6.7
119.08590	44.5
121.06464	6.1
121.10124	47.6
123.08076	15.1
123.11694	33.2
131.08571	22.0
133.06441	4.1
133.10109	37.9
135.08040	10.8
135.11665	20.3
137.09596	9.5
137.13220	7.2
143.08546	11.5
145.10146	29.4
147.08080	7.1
147.11633	18.8
149.09673	6.4
149.13223	12.0
151.07552	8.3
151.14853	9.7
157.10127	15.2
159.11734	25.0
161.09631	10.7
161.13254	13.9
163.11176	12.6
163.14847	14.1
169.10007	5.0
171.11690	6.0
173.09735	4.2
173.13208	27.7
175.11191	7.5
175.14804	17.6
177.16347	14.0
179.17947	4.9
183.10106	7.9
183.11731	7.2
185.13214	12.8
187.11191	5.9
187.14813	32.0
189.12662	6.0
189.16330	23.7
191.14188	4.0
191.17918	5.0
193.15775	5.8
199.14809	6.0
201.12692	13.5
201.14555	3.6
201.16408	19.9
203.14261	6.1
203.17928	24.7
205.12389	4.0
211.14833	5.3
213.16415	5.3
215.14336	6.7
215.17760	5.8
217.15871	7.6
219.13831	15.3
219.17393	5.6
221.15340	6.6
231.17426	23.2
235.16934	8.7
241.19376	5.2
243.20901	4.0
247.16898	5.9
265.14197	24.4
405.31534	6.6
423.32611	12.8
433.31131	7.0
441.33749	27.3
451.31998	16.8
459.34641	63.2
469.33228	82.9
487.34378	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3416
Annotation	Acerinol
Peak:m/z	Relative Intensity
55.01858	1.8
55.05505	4.9
57.07069	0.5
65.03942	0.5
67.05500	3.1
69.03411	2.0
69.06718	0.9
69.07063	10.6
70.08704	2.0
71.04987	0.8
73.28186	0.5
79.05493	2.4
81.07055	5.4
83.04984	0.7
83.08613	7.0
86.13342	0.5
91.05463	2.3
93.07054	3.1
93.62987	0.5
95.04969	2.6
95.08047	1.0
95.08603	10.6
97.06506	0.9
97.10162	1.1
105.07018	3.1
107.08591	6.7
109.06518	1.7
109.10163	5.8
111.04532	0.5
111.08073	21.7
111.11706	0.5
113.05983	0.5
117.07007	0.7
119.08572	5.0
121.06510	1.6
121.10118	4.4
123.08070	1.3
123.11696	2.0
125.09623	31.5
127.56896	0.5
129.06976	0.6
129.09103	1.5
131.08546	1.9
133.06494	0.8
133.10130	2.9
135.08044	6.6
135.11668	2.9
137.09619	1.5
137.13257	1.8
143.08580	1.2
145.10130	2.8
146.66733	0.6
147.08116	0.9
147.11673	2.0
149.09624	2.1
149.13260	1.6
151.11127	1.0
151.36836	0.5
153.09084	7.0
155.08537	1.0
157.10161	1.8
159.08029	1.0
159.11688	3.0
161.09657	3.1
161.13300	1.4
163.11163	0.8
163.14760	0.5
165.70250	0.5
169.10118	0.7
171.10158	55.9
171.11528	2.6
172.08936	0.6
172.10468	1.0
173.09583	1.6
173.13225	1.8
175.07458	0.6
175.11200	2.1
175.14844	0.8
177.09087	0.5
177.12680	1.0
183.11688	1.0
185.09570	1.1
185.13272	1.2
187.11133	4.1
187.14822	1.3
189.09117	0.6
189.12708	1.2
189.16422	1.0
191.17950	1.4
195.11728	0.9
197.13217	1.3
199.11201	2.0
201.12750	2.1
203.10715	0.8
203.18015	0.7
205.19487	0.6
209.13173	0.7
211.11142	0.8
211.14771	0.6
213.12770	0.7
213.16402	0.8
215.14349	1.2
215.17920	0.6
217.12306	1.1
217.15907	0.8
219.13765	0.8
219.17467	0.5
227.10699	1.2
227.14247	1.3
229.12231	0.6
231.13934	0.7
231.17578	1.2
239.14149	0.6
241.15848	0.7
245.11777	1.0
251.14114	1.0
253.16098	0.6
269.15427	2.9
271.20523	0.9
273.22025	0.9
283.20789	0.6
283.24289	0.6
285.22003	0.6
287.16461	2.3
295.17126	1.1
297.21973	0.6
313.17993	0.6
325.25320	0.9
339.26791	2.6
381.31549	1.3
391.29944	1.6
399.32590	1.2
405.31775	0.6
409.31085	3.6
423.32977	1.2
427.32178	2.4
433.30908	2.0
451.31909	4.7
469.33057	8.8
487.34171	100.0
488.34543	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3418
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
50.96957	5.2
55.05503	21.0
61.04809	5.0
67.05504	27.1
69.03420	9.3
69.07061	25.1
70.75611	18.0
71.01357	8.0
71.04980	18.2
73.38840	5.9
79.05485	31.6
81.07056	52.1
83.04986	9.6
83.08603	16.9
83.61075	5.5
85.06514	10.8
91.05463	24.3
93.07043	38.6
94.17776	5.3
95.04936	13.0
95.08601	80.2
97.06509	11.1
97.10138	5.4
101.87621	5.7
105.07023	41.3
107.04970	8.5
107.08591	59.5
109.06528	11.1
109.10148	45.3
111.08062	11.6
111.11747	7.2
113.05993	7.4
117.06995	11.4
119.08577	78.1
121.06495	9.3
121.10128	62.9
123.08044	16.1
123.11667	39.5
125.05993	9.3
125.09620	15.4
131.06978	6.1
131.08585	34.7
133.10118	52.3
135.07999	18.8
135.11646	31.5
137.09608	11.4
137.13261	16.7
139.11180	17.7
143.08562	17.3
145.10109	38.7
147.11656	24.0
149.13219	21.5
149.55745	5.6
151.11201	7.5
155.08511	10.9
156.09261	7.3
157.08723	5.1
157.10089	25.0
158.10796	6.4
159.11713	34.0
161.09566	6.9
161.13307	31.8
163.11166	15.6
163.14775	13.1
165.12733	6.5
169.10060	10.1
171.10274	9.5
171.11690	22.9
173.09564	6.1
173.13258	59.0
175.11125	13.9
175.14809	16.1
177.16400	12.2
181.09979	7.2
183.10210	7.3
183.11720	11.3
185.13242	19.8
187.11099	9.7
187.14792	30.5
189.12727	6.1
189.16364	13.1
189.70834	5.3
197.13271	8.0
199.14789	14.1
201.16397	17.0
203.14288	5.9
205.15802	11.6
211.14809	7.5
213.16422	15.8
215.14349	9.3
215.17924	11.7
219.17328	11.1
221.13271	6.6
223.16858	11.6
225.16522	6.7
226.13335	5.8
229.15918	8.2
231.17409	20.0
233.18834	6.9
245.19019	8.0
247.16838	8.2
255.20871	10.8
283.20456	10.7
321.25894	9.2
337.25134	10.1
339.26791	26.3
366.47998	7.4
381.31638	12.0
409.30951	37.8
433.30991	16.3
451.32343	38.3
459.34705	15.0
469.33142	100.0
470.33633	7.6
487.34821	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3417
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
50.74847	2.6
52.84547	2.7
53.03947	5.2
55.05505	10.8
56.96568	5.3
61.02932	5.3
67.05488	22.2
69.03418	5.8
69.07059	10.5
71.05001	3.2
71.05573	5.9
71.05918	4.7
73.02895	3.5
79.05496	28.6
81.03416	4.8
81.07054	27.6
82.24780	3.2
83.04993	7.2
83.08616	8.7
85.02922	3.9
91.05479	21.5
93.07037	30.1
95.04970	13.1
95.08601	30.3
97.02907	4.2
97.06509	5.3
97.10144	3.0
99.08078	6.3
105.07033	28.3
107.08593	22.7
109.06525	4.3
109.10152	14.5
111.08089	2.7
117.07035	3.4
119.08571	31.3
121.06492	7.0
121.10136	28.4
123.08096	5.2
123.11713	8.6
125.06001	7.7
129.07002	5.6
131.08572	11.9
133.10124	27.7
135.08061	6.5
135.11664	8.1
137.05997	9.9
139.07524	9.3
143.08575	10.3
145.10138	22.2
147.08035	5.3
147.11690	18.4
149.09663	5.1
149.46255	2.9
157.10129	13.1
159.08038	3.6
159.11708	12.9
161.09581	5.7
161.13246	4.8
169.10051	4.0
170.10942	4.8
171.11684	16.7
173.09561	7.2
173.13203	17.0
175.11159	16.1
175.14844	3.7
177.09177	5.9
179.52197	3.4
185.13274	13.8
187.11172	10.6
187.14856	16.9
189.12790	7.4
189.16386	12.1
191.14134	3.1
197.13284	13.1
199.14798	14.4
201.12665	3.3
201.16464	4.0
203.14307	8.0
205.15883	9.6
207.13765	8.7
209.13268	5.1
211.14809	4.6
213.12737	4.7
215.14326	21.9
217.15851	18.5
225.14748	3.7
229.15872	55.5
231.13850	3.6
231.17462	33.6
233.13124	6.0
233.15334	39.2
247.16876	23.0
333.17291	3.4
389.28134	3.9
407.29504	3.8
415.29773	10.2
433.30984	40.6
451.32141	42.4
469.33194	100.0
487.34720	98.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3415
Annotation	Actinidic Acid
Peak:m/z	Relative Intensity
55.05512	18.2
55.05768	3.2
57.07069	4.2
58.58163	3.7
60.19374	3.2
62.60684	3.7
67.05502	21.3
69.07056	30.4
71.60826	4.5
71.61208	4.8
73.17822	3.4
76.18196	3.8
79.05484	22.2
81.03400	5.1
81.07056	49.5
83.05003	4.1
83.08604	7.8
85.06530	4.5
91.05457	19.6
93.07034	35.5
95.04962	9.4
95.08601	78.0
105.07018	28.6
107.04922	3.9
107.08572	44.4
109.06506	11.3
109.10151	46.8
111.11726	7.0
119.08568	34.6
121.06486	7.0
121.10138	40.1
123.08035	8.9
123.11701	23.3
125.05999	12.2
131.08546	12.0
133.06451	4.9
133.10114	42.4
135.08060	12.8
135.11642	27.9
137.09619	6.8
137.13263	25.5
139.07492	5.9
142.07784	4.2
143.08533	5.1
145.06468	4.1
145.10133	16.7
147.08046	7.3
147.11687	19.1
149.09637	8.9
149.13231	12.3
151.14801	4.5
155.08501	4.7
157.10127	8.4
159.11713	18.0
161.09579	10.1
161.13268	24.8
163.11183	4.5
163.14845	7.5
167.10738	3.9
168.09433	4.0
169.10028	4.3
171.11699	11.3
173.09666	5.2
173.13260	11.9
175.11182	7.9
175.14853	12.8
177.12793	6.7
177.16389	14.5
179.10640	6.9
181.10126	4.6
183.11617	3.7
185.13310	10.5
187.11092	5.2
187.14850	6.8
189.09096	3.7
189.16403	8.8
191.14270	5.2
191.17982	14.9
193.12260	9.9
203.10735	4.1
203.14314	6.7
203.17953	17.3
205.12260	10.2
205.19443	8.8
211.14795	5.0
217.12177	5.0
217.15800	4.9
217.19437	9.5
219.13782	7.8
221.15465	4.0
225.16351	4.4
229.75395	4.1
231.13855	5.4
231.21042	9.6
245.22572	5.6
255.17534	4.0
263.16589	4.9
271.20667	3.6
323.42706	4.0
403.48773	4.9
409.31201	7.3
417.26056	3.9
423.32538	10.4
441.33740	22.8
451.31888	17.1
469.33380	53.0
487.34494	100.0
488.34592	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	487.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.9
55.05493	2.0
65.03923	0.7
67.05514	3.1
68.99815	0.7
69.07053	2.7
70.63135	2.1
71.04984	1.1
77.03916	0.8
79.05478	2.0
81.03411	1.4
81.07050	6.2
83.04998	0.8
83.08622	0.9
85.02895	1.1
85.06489	0.7
91.05464	2.0
93.07017	3.3
95.04970	2.6
95.08604	5.6
97.02879	1.0
97.06540	0.9
97.10130	0.8
99.08064	0.8
105.03386	1.0
105.07023	2.5
107.08586	2.7
109.06532	0.8
109.10138	2.8
111.04445	2.0
117.07018	0.7
119.08564	2.7
121.10156	1.9
123.04422	100.0
123.11705	1.6
124.04742	1.1
125.09618	0.9
131.08572	0.8
133.10092	1.8
135.04428	0.7
135.11670	2.0
137.06033	1.4
139.03896	62.6
139.39935	0.7
142.73914	0.6
143.08517	1.1
145.10139	2.1
147.04382	4.9
147.11653	1.6
151.03889	7.3
153.94423	0.6
157.10153	0.7
159.11707	1.5
161.05931	0.8
161.13257	1.2
161.75359	0.6
163.03891	1.4
165.05450	0.8
165.12788	0.7
168.89893	0.8
171.11615	1.3
173.13312	1.1
175.14752	0.9
185.13261	0.8
187.11055	0.8
187.14844	1.2
191.14352	0.9
201.16408	1.3
221.15382	0.8
239.29445	0.7
266.36316	0.6
273.07556	13.2
291.08459	0.8
307.26541	0.6
361.14609	0.7
405.12329	0.8
469.33527	1.5
487.19620	0.9
487.34238	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	487.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	11.6
55.01872	3.3
55.05301	2.8
55.05511	31.2
56.91674	2.8
57.03430	5.9
60.31557	2.6
65.03923	5.1
67.05499	79.9
69.03442	2.9
69.07062	23.0
71.04968	5.9
71.60509	3.9
77.03904	3.1
79.05486	100.0
81.03413	16.1
81.07049	69.2
83.04970	21.1
83.08603	16.2
85.06546	6.4
91.04890	5.4
91.05470	87.6
93.06466	5.9
93.07040	87.9
95.04965	42.5
95.08598	53.5
97.02925	4.0
97.06513	9.1
97.10190	5.7
99.04427	3.6
105.04499	3.9
105.07024	71.5
107.04961	14.0
107.08590	32.3
109.06516	14.5
109.10143	16.4
111.08032	3.4
117.07002	14.7
119.08572	46.9
121.06506	4.8
121.10143	16.0
123.08060	11.4
123.11728	4.2
128.06204	7.0
129.07010	30.0
131.08549	11.5
133.10117	21.0
135.08080	4.6
135.11682	8.9
137.09589	3.1
143.08560	14.3
145.10126	21.4
147.08031	8.9
147.11671	60.5
157.10121	3.3
159.11713	6.7
161.09595	8.2
161.13245	24.2
163.11159	3.4
171.11653	47.1
173.13181	6.2
179.14316	7.4
183.07993	3.5
183.11708	3.8
187.11153	3.8
189.12729	18.4
197.13240	3.3
207.13777	48.9
211.11174	5.1
215.14401	4.3
225.12943	4.0
225.14674	18.6
233.15489	2.8
263.16455	5.6
281.17538	5.8
384.91257	3.1
424.12369	3.2
451.31897	8.6
459.34732	4.9
487.29916	89.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.3
57.03427	1.1
57.06827	1.5
57.07076	18.4
61.02923	2.0
67.05491	2.1
69.03416	3.1
69.07052	3.0
71.04984	1.2
71.08627	27.4
71.60506	1.7
73.02901	0.9
73.06546	2.5
76.61442	1.0
77.99171	0.8
79.05501	1.9
81.03405	1.8
81.07037	2.9
85.02895	9.0
89.06026	60.8
90.97446	1.0
91.03967	1.6
93.07018	1.1
95.04942	0.9
95.08575	1.5
97.02876	3.3
99.04434	1.0
106.58316	0.9
107.07045	5.8
107.08598	1.2
109.02863	0.9
109.10139	1.2
113.13289	1.6
117.03883	1.0
121.97206	0.9
127.03894	2.1
130.08664	1.2
133.08601	18.9
133.10136	1.9
135.11684	1.4
145.04990	1.4
151.09598	1.8
156.03589	1.0
157.15857	1.8
177.11258	5.9
195.12283	21.6
201.18451	4.8
226.35245	1.0
256.31766	1.1
275.08179	1.0
285.10046	3.1
294.72894	1.0
307.24762	100.0
308.25159	1.4
367.18179	1.4
486.32693	1.6
487.25110	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.05508	14.1
57.03441	1.0
57.07070	4.4
67.05505	0.8
69.03425	2.6
69.07064	10.2
69.60894	4.0
71.08609	1.5
73.59193	0.4
79.05495	0.6
81.03469	0.6
81.07062	2.5
83.04980	0.5
83.08614	34.7
85.02899	6.4
87.04460	0.7
89.06026	52.9
93.07035	0.9
95.08593	1.3
97.02888	2.4
97.10165	10.1
98.21482	0.7
107.07064	4.6
107.08559	0.8
109.10133	1.1
111.04473	0.5
119.04926	0.5
119.08584	1.2
121.10123	0.6
123.04417	1.0
127.03889	1.6
130.08633	0.9
130.60701	0.5
133.08601	12.1
139.03877	1.0
139.14796	0.6
147.04378	1.3
151.09647	39.6
153.01775	0.8
157.15860	1.5
163.07500	0.5
201.18436	0.8
219.19441	0.5
245.21111	3.1
263.22311	0.6
271.16733	0.6
288.23898	0.7
289.23767	4.2
307.24762	100.0
308.25156	1.6
325.19708	0.8
486.26328	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07072	0.2
69.37082	1.4
70.06588	0.3
71.05000	0.1
81.03416	0.2
81.07053	0.3
81.29154	0.1
85.02899	0.3
86.09698	0.4
88.08722	0.1
98.21350	0.4
99.44318	0.1
119.96768	0.2
151.30240	0.1
153.01811	1.1
162.05252	0.1
171.02930	0.2
171.11925	0.1
203.05243	0.9
215.05235	0.2
245.06458	0.3
253.02446	0.1
265.11136	0.2
275.07339	1.3
307.12189	0.2
317.08508	0.2
325.12726	0.1
335.09454	12.4
355.17221	5.7
356.17868	0.2
472.61682	0.1
487.21457	100.0
488.21823	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	487.2147
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
55.03882	0.2
71.52028	0.3
71.84289	0.1
71.84684	0.1
81.07037	0.2
85.06525	0.2
86.09665	0.3
92.09051	0.1
97.02882	0.2
132.50584	0.1
151.18199	0.1
153.01817	1.3
155.14322	0.2
161.31007	0.2
164.09059	0.2
203.05255	1.0
205.66409	0.2
245.06248	0.3
265.11276	0.2
275.07339	1.2
307.12262	0.3
317.08466	0.3
335.09464	10.8
355.17249	4.9
379.75156	0.2
487.21463	100.0
488.21786	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	485.3261
Annotation	3-Keto-24-epi-7,8-didehydrocimigenol
Peak:m/z	Relative Intensity
55.05500	0.8
67.05491	2.1
69.07056	2.0
71.66357	0.5
79.05479	1.7
81.07047	3.0
83.04962	0.7
83.08633	0.8
83.54148	0.5
91.05476	2.2
93.07026	3.7
95.04964	1.2
95.08604	4.2
97.06493	0.6
99.08072	1.8
105.07024	4.7
107.08580	4.0
108.06775	0.4
109.06501	1.3
109.10147	4.1
111.08104	0.9
117.06995	1.1
119.08566	6.0
120.58285	0.5
121.06516	1.4
121.10159	6.2
123.08070	3.6
123.11676	0.6
125.05980	2.2
131.08594	3.4
133.10114	5.2
135.08052	1.2
135.11700	0.8
137.09581	1.5
137.64470	0.5
139.07538	1.9
139.11156	2.9
143.08534	1.5
145.10107	5.5
147.08066	1.5
147.11671	2.6
149.09613	1.2
149.13220	0.7
151.28416	0.5
155.08546	1.1
156.09375	0.8
157.10091	2.8
158.10945	1.0
159.08064	1.7
159.11678	3.8
161.09584	1.2
161.13271	1.2
163.11194	0.6
169.10039	0.7
171.11678	2.8
173.09650	2.1
173.13272	4.5
175.11211	4.1
175.14845	0.8
177.09079	0.9
177.12677	0.7
177.16380	0.9
182.10928	0.8
183.11639	1.4
185.09694	0.6
185.13245	1.4
187.11217	2.3
187.14856	5.7
189.12752	2.6
189.16388	4.3
191.10634	1.1
197.13237	4.1
199.11258	0.7
199.14825	1.5
201.12778	1.9
201.16371	0.8
205.15880	2.3
211.14844	0.9
215.14299	6.8
217.15805	1.0
223.14978	0.7
225.12804	1.3
227.14281	0.8
229.15860	16.6
229.34441	0.7
231.17444	3.6
233.15376	6.6
243.13847	1.2
247.16992	1.5
257.15482	0.7
269.19064	0.6
283.20627	1.8
299.20163	0.7
307.20966	0.5
319.20456	0.6
337.21643	1.1
338.22418	1.1
339.23273	0.6
381.27982	1.0
391.26215	0.6
405.27829	0.7
409.27359	2.0
413.28503	0.7
421.30887	0.6
431.29431	3.4
449.30515	19.5
467.31567	17.9
485.32614	100.0
486.32901	2.8
514.31482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3263
Annotation	3-Keto-24-epi-7,8-didehydrocimigenol
Peak:m/z	Relative Intensity
55.05511	2.3
59.04975	1.4
62.71657	0.8
67.05488	4.2
69.03418	1.4
69.07057	6.2
70.24131	4.2
71.04987	1.2
79.05494	3.6
81.07049	5.7
83.05016	1.3
83.08615	2.3
85.02808	0.9
91.05473	4.4
93.07024	5.7
95.04946	2.4
95.08619	8.2
97.06541	2.1
103.91050	1.0
105.07006	8.2
107.08600	9.3
109.06460	1.9
109.10164	9.8
111.08074	1.3
117.07015	2.1
118.42278	0.9
119.08572	14.3
121.06497	2.8
121.10130	9.1
123.08072	2.3
123.11727	2.6
131.08583	3.8
132.46397	0.9
133.06493	1.2
133.10143	7.2
135.08070	3.8
135.11682	2.2
137.09608	4.0
139.11121	1.0
143.08588	3.6
145.06485	1.2
145.10120	13.1
147.08049	3.4
147.11668	5.9
149.09610	2.6
149.13206	1.9
155.08524	1.4
156.09351	1.6
157.10150	5.8
159.08032	1.8
159.11682	5.4
161.09602	3.2
161.13258	2.5
163.07491	2.9
163.11067	1.6
165.09119	1.2
169.10156	2.8
171.11722	3.6
173.09633	6.5
173.13234	8.1
175.11189	8.0
177.09184	1.4
177.12894	1.3
178.09883	2.1
181.04962	1.1
181.10062	1.2
182.10912	1.4
183.11745	2.7
185.09570	1.7
185.13309	3.5
186.10480	1.1
187.11218	1.4
187.14877	6.1
189.12784	2.9
189.16428	1.2
195.11723	1.5
197.13322	5.0
199.11255	1.6
201.12808	2.5
205.15932	2.4
209.13205	1.9
211.11110	1.4
211.14836	2.7
213.12830	2.6
215.14333	15.0
217.12387	1.5
225.12808	1.0
229.15843	4.7
233.15433	4.3
241.15828	1.4
243.13899	1.4
251.16277	1.3
332.21204	1.1
355.22501	1.4
381.27948	4.4
399.25629	1.6
409.27460	1.4
421.31171	1.9
425.30594	1.1
427.28452	18.7
431.29352	2.0
439.32114	4.4
449.30649	9.9
457.32861	1.4
467.31598	59.5
468.31873	1.7
485.32626	100.0
486.32913	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03254	0.5
55.01863	0.5
59.80400	0.4
62.01847	0.5
66.03043	0.5
69.03412	1.3
70.06586	51.1
71.60401	0.8
71.63186	0.5
78.03392	0.4
81.03404	0.9
85.02889	1.3
93.94325	0.4
94.26886	0.4
97.02885	1.4
103.05453	1.2
107.04947	0.6
109.02863	1.6
112.07595	55.7
116.07085	12.2
120.08099	20.4
121.08423	0.7
123.04417	0.8
127.03902	2.1
139.03894	1.1
140.07053	13.4
147.04427	1.1
149.05954	0.5
153.01810	4.4
158.08113	100.0
166.08629	11.4
166.09947	0.9
167.08975	0.9
234.14090	0.5
237.02742	0.9
244.68649	0.5
266.10281	1.2
284.11249	1.5
302.12314	5.5
303.67682	0.5
320.13434	0.9
485.08591	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	485.2875
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
52.54306	1.3
55.05490	3.9
56.59570	1.2
57.03428	6.3
57.06821	2.0
57.07075	24.5
57.93125	1.5
67.05492	8.6
67.92327	1.4
69.07063	8.2
70.13212	2.7
70.13619	4.8
71.08626	19.5
81.07045	10.2
83.04964	1.9
83.08603	6.5
83.88035	1.4
85.10180	10.0
89.06030	3.4
91.05436	1.9
93.07031	4.0
95.08609	17.9
97.10178	3.0
98.98438	7.6
105.07009	3.9
107.04931	1.5
107.08567	3.7
109.10144	6.6
119.08596	3.8
121.06526	2.9
121.10134	4.7
123.11708	3.8
133.10065	3.0
135.08047	2.8
135.11707	3.3
155.01044	3.1
159.11719	2.0
161.09679	1.7
165.09067	1.8
191.17851	1.5
201.16359	1.8
257.24826	1.6
290.06863	1.5
290.29834	1.4
313.27335	100.0
314.27750	2.3
347.22650	1.6
421.30612	1.6
425.30423	1.8
449.25827	2.3
467.31308	9.4
485.28455	11.1
485.33350	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	484.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.1
57.07074	9.9
58.06577	1.0
64.82804	0.3
67.05486	1.4
68.06194	0.3
69.07069	1.9
70.03783	0.6
70.04180	0.9
70.06591	9.4
71.08623	5.4
73.02906	1.0
80.31084	0.3
81.07045	1.5
83.08621	1.8
85.10192	1.8
88.07627	13.2
95.08602	2.6
97.06520	0.3
97.10159	0.8
99.04490	0.3
102.09176	8.8
106.08682	0.6
109.10164	0.5
123.30073	0.3
140.70834	0.3
164.87138	0.4
171.26608	0.3
184.20638	0.3
200.20085	20.0
218.21056	1.5
228.23221	16.9
246.24294	1.5
255.23140	1.1
256.26294	1.1
267.53171	0.4
283.26312	18.8
311.25742	0.7
311.29413	19.4
484.47232	100.0
485.47485	1.7
505.19958	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.2
55.05514	0.6
57.03433	4.4
59.04988	1.4
59.16941	0.5
61.02926	3.7
67.60171	0.7
69.03429	10.7
69.07074	2.8
70.09399	2.4
71.01343	1.8
71.08629	43.1
71.34254	0.5
73.02916	19.2
77.33257	0.6
81.03412	2.8
81.07061	0.9
85.02900	23.8
86.09708	0.9
87.04458	1.0
92.45287	0.6
97.02278	1.2
97.02888	17.6
99.04465	1.2
99.08088	100.0
103.03924	1.0
104.10723	0.7
107.63235	0.5
109.02865	2.5
114.30259	0.6
115.03928	7.4
125.00073	0.8
127.03904	7.7
129.12753	11.8
133.04959	8.0
135.11681	0.7
143.03436	0.6
145.04953	9.2
153.01836	5.8
153.12695	2.1
155.14276	3.7
163.05977	3.1
173.15364	88.2
174.15741	0.8
184.07346	2.4
212.81528	0.6
214.40257	0.6
223.06075	1.6
241.06996	1.5
243.60115	0.6
259.08170	2.8
265.95398	0.6
277.09262	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63464	1.0
55.05515	4.7
57.03426	1.3
57.07072	31.9
61.11083	0.9
67.05503	1.8
69.07072	4.2
70.17560	2.3
71.08630	29.7
72.13189	0.8
73.06557	9.0
75.88093	0.9
81.07059	2.4
83.08620	5.9
85.10179	27.9
87.04470	3.8
89.06028	100.0
91.05496	1.4
91.07575	1.0
93.07030	1.3
95.08622	2.9
97.10156	2.6
98.98460	1.0
99.11742	2.8
107.07063	5.2
107.08604	1.7
109.06495	0.9
111.11745	1.0
117.09124	5.2
121.10188	1.3
127.37305	1.0
130.08604	5.3
131.07028	1.2
133.08597	50.4
138.85335	0.8
141.16377	4.7
145.23509	1.2
151.09688	1.1
151.40666	1.1
177.11221	23.9
185.19022	5.5
195.12291	1.1
221.13818	2.9
226.21671	2.4
229.21634	14.1
239.14941	3.7
273.24179	8.3
283.17465	3.1
293.90216	0.9
311.25858	2.4
312.26227	7.7
327.20041	12.6
332.41895	1.2
379.30658	2.2
423.33176	2.6
467.35986	27.6
484.31537	2.1
484.38318	1.2
485.32593	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19999	2.0
55.01848	3.7
55.05505	2.4
57.03439	10.4
60.07262	2.1
61.02905	8.4
67.05479	3.0
69.03138	1.9
69.03427	26.6
69.58763	18.0
70.06590	2.6
71.49017	2.0
73.02914	30.3
79.05468	3.3
81.03407	7.1
81.07052	100.0
82.00904	2.7
85.02901	75.4
87.04430	3.5
95.08589	20.3
97.02879	47.3
99.04431	4.3
102.76479	2.2
107.08595	3.9
109.02879	10.7
109.05688	2.1
115.03918	18.0
123.04411	2.3
125.09592	3.2
127.03911	28.7
133.04961	28.5
134.65073	2.3
137.05972	24.9
137.13246	73.2
139.03914	3.2
145.04942	33.0
150.69821	2.2
150.72775	2.1
151.11084	2.8
152.09714	2.5
153.01816	19.9
154.02100	3.7
155.14247	3.3
163.06024	21.4
163.07370	4.4
169.12209	2.7
170.11694	2.7
197.04764	2.5
201.84700	2.4
207.07555	2.5
223.06042	7.4
241.07028	7.1
259.08099	35.2
263.09586	4.5
269.13809	2.5
277.09210	6.5
295.10205	41.8
317.19641	16.4
320.04889	10.2
321.04987	7.4
322.05249	13.9
323.11765	4.1
394.16730	2.7
403.44379	2.3
484.18481	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	483.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
55.05510	18.3
57.03430	7.2
57.06825	0.7
57.07075	8.1
67.05489	2.7
69.07064	22.0
70.85770	1.9
71.08629	5.9
79.05482	2.1
81.07053	4.1
83.08145	1.0
83.08614	18.3
85.10150	1.8
93.07054	3.0
95.08590	4.7
97.06538	2.0
97.10159	12.5
98.98460	6.8
105.59031	0.8
107.08566	2.0
109.10137	1.5
111.11711	3.1
116.88395	0.7
121.10124	2.8
123.11658	0.9
135.11664	1.8
149.13269	0.9
155.01047	5.2
173.02098	0.9
187.66792	0.6
237.22040	1.4
251.07083	0.7
268.11737	0.7
298.29858	0.6
311.25784	100.0
312.26163	1.4
326.57269	0.7
353.98563	0.7
359.92096	0.7
390.00409	0.6
447.25052	2.8
483.31049	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	484.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91711	0.8
57.05831	0.7
65.03915	1.1
66.95950	0.6
67.05492	3.8
69.03416	3.0
71.41120	1.2
74.97074	0.7
78.46126	0.6
79.05465	1.1
81.03400	1.6
81.07034	0.8
85.02896	3.2
87.04470	0.9
91.05432	0.7
97.02923	1.7
106.06538	2.1
108.08112	100.0
109.02863	1.1
116.98631	0.7
123.06828	4.7
124.07596	13.6
127.03939	1.3
134.06013	8.4
136.07571	19.0
147.04309	0.7
152.07057	53.3
153.01816	3.7
153.07477	0.7
154.08623	2.5
163.03964	1.1
202.07278	0.7
234.05324	0.7
314.12314	73.2
315.12811	1.0
386.71033	0.8
391.03720	0.7
484.07593	1.5
484.14359	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	483.165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.4
53.03933	0.7
55.01865	2.6
61.69445	0.4
61.97900	0.3
62.51299	0.4
65.03928	0.8
67.05489	1.6
69.03417	0.6
70.63285	1.4
77.03925	0.7
79.05493	3.0
81.03425	2.8
81.07041	0.8
83.05004	0.6
85.02890	0.8
91.05475	4.4
93.03370	0.5
93.07030	3.6
95.04967	4.3
95.08616	0.4
97.02889	1.7
99.00800	0.7
103.05444	2.8
105.03397	1.1
105.07028	7.2
107.04943	6.8
107.08576	0.6
109.02865	6.1
111.04457	0.7
114.82373	0.5
115.05448	2.1
119.04942	3.2
121.02876	0.6
121.06493	4.8
121.10148	0.6
123.04420	55.8
123.11660	0.4
125.06017	0.7
127.03912	1.2
131.04935	0.6
133.06487	7.4
134.06784	0.6
135.04408	7.7
137.02330	1.1
137.05963	1.6
139.03899	8.3
140.04655	0.7
141.06976	0.6
143.04900	1.1
145.10130	0.5
147.04399	17.9
149.05975	10.8
151.03891	53.0
152.04211	3.0
153.01808	0.9
153.05475	3.8
153.06671	0.7
155.07033	0.8
159.04390	0.8
161.05974	18.6
163.03911	3.8
165.05493	9.3
165.06854	0.6
166.06252	11.7
167.07030	18.1
168.07404	1.4
169.05014	5.9
169.06410	0.7
173.06000	3.0
175.03947	1.9
175.07542	1.0
177.05457	9.3
179.03387	1.7
179.07004	1.9
180.03790	0.7
180.07802	2.8
181.05066	3.1
181.08580	23.1
182.08939	0.7
183.02846	0.7
183.07967	0.4
187.07497	0.7
189.05446	2.5
191.07048	0.4
193.04955	12.1
193.08598	24.3
194.08969	1.4
197.06026	2.1
199.07535	0.8
199.09703	0.4
203.07014	0.5
205.08521	0.9
206.09398	0.5
207.06516	5.2
211.07544	1.1
213.05397	0.6
215.07021	3.8
217.08490	1.1
239.07077	1.8
243.06529	2.2
257.08017	0.8
267.06485	1.0
285.07571	7.7
303.08612	100.0
304.05878	0.4
304.09000	1.7
313.10760	0.4
318.41315	0.4
329.10126	0.7
331.11731	48.2
332.11987	2.1
483.16425	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	483.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.7
53.03935	0.8
55.01855	2.6
55.05518	0.5
65.03944	1.0
66.92543	0.5
67.05482	1.9
68.99778	0.8
69.03416	1.2
69.07030	0.5
69.83553	3.2
77.03932	0.6
78.04712	0.5
79.05480	2.9
81.03410	2.5
81.07050	1.1
85.02877	1.1
91.05486	2.7
93.07059	1.1
95.04945	3.9
95.08600	0.6
97.02892	1.4
98.20824	1.0
103.05444	1.5
105.03369	1.4
105.07014	6.7
107.04953	4.6
109.02862	5.0
109.06523	0.6
111.04446	1.2
115.05434	0.8
119.04922	4.8
121.02887	0.6
121.06479	1.8
123.04420	57.9
125.05980	0.6
127.03904	1.7
129.06943	0.5
131.04936	0.8
133.06500	4.9
133.10109	0.6
135.04395	8.2
137.02315	1.2
137.05975	2.4
138.23038	0.5
139.03880	8.9
141.06935	0.8
143.04900	1.3
147.04395	18.0
149.05989	2.8
151.03891	51.0
152.04347	2.0
153.01820	2.5
153.05434	3.6
153.06570	0.4
159.04362	0.5
161.05974	16.7
163.03925	5.9
163.07646	0.5
165.05473	10.3
165.06879	0.9
166.06180	1.1
167.07033	5.2
169.04967	3.3
169.06490	1.7
171.04523	0.6
173.05940	2.2
175.03859	1.1
177.05464	3.8
179.03403	1.5
179.07019	1.9
180.07784	1.0
181.04958	3.9
181.06396	0.5
181.06934	0.6
181.08534	6.6
183.08092	0.7
187.07477	0.9
189.05467	2.0
191.06961	0.7
193.04958	10.7
193.08582	13.1
194.08936	1.2
197.05968	0.9
199.07608	1.1
207.06482	4.5
211.07497	1.7
215.07011	3.3
217.08653	1.3
239.07033	1.4
242.16310	0.8
243.06438	1.9
257.08084	1.1
261.07388	0.6
267.06454	1.0
285.07574	7.0
286.15268	1.0
292.28809	0.5
298.07983	0.6
300.09525	1.1
303.08606	100.0
304.08868	1.2
329.09958	1.4
331.11728	5.1
332.12006	0.6
483.16000	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01878	2.8
55.05503	2.4
65.03934	1.4
65.61169	0.8
67.05508	4.7
69.03423	3.5
69.07059	3.4
69.76925	0.9
69.77251	5.7
71.04990	1.8
74.35934	0.9
79.01836	1.4
79.05479	4.9
81.03425	4.2
81.07049	7.2
83.04982	1.3
83.08606	2.1
85.02900	4.3
85.06548	2.0
89.06015	1.0
91.05481	8.5
91.34592	0.8
93.07037	5.7
95.04973	5.3
95.08593	4.5
97.02893	3.1
97.06489	1.1
97.10192	1.1
99.04449	3.3
103.05437	1.6
105.03394	1.0
105.07023	9.9
107.04941	4.9
107.08566	4.5
109.02873	7.3
109.06544	2.4
109.10149	3.5
109.68373	0.8
111.04440	1.4
111.08015	0.9
111.11751	1.0
115.05447	1.6
119.04919	4.7
119.08578	5.7
120.07949	0.8
121.02852	1.3
121.06480	4.6
121.10069	2.0
123.04421	71.2
123.08078	1.5
123.11674	2.4
124.04724	1.0
125.02359	1.2
127.03943	2.0
131.08606	2.0
133.06488	7.7
133.08601	1.3
133.10129	3.5
135.04378	9.1
135.08070	1.7
135.11670	2.3
137.02310	1.3
137.05980	3.6
139.03897	14.6
143.03346	1.5
145.04982	1.0
145.06522	0.9
145.10110	1.4
147.03224	1.5
147.04393	23.9
147.11703	1.7
149.05939	4.8
149.13246	1.8
151.03891	41.5
151.07472	0.9
151.11197	1.8
151.14642	0.9
153.01816	21.5
153.02974	1.8
153.05463	3.7
159.11710	1.4
161.05969	20.4
161.13203	1.2
163.03915	6.1
165.05505	9.7
165.06876	1.7
166.06242	3.6
167.07043	8.5
169.04944	5.7
169.06377	1.8
173.05992	3.6
175.03836	1.5
175.14806	1.2
177.05472	6.0
179.03406	1.1
179.07027	3.2
181.04968	3.7
181.08583	7.1
187.07509	1.4
189.05434	2.7
193.04968	10.7
193.08611	15.4
197.05977	1.6
197.83940	0.9
205.08611	1.3
207.06456	6.0
211.07495	1.2
215.07016	3.8
217.08548	1.8
218.35289	0.9
239.07083	1.5
241.12268	1.2
243.06609	2.0
257.08350	1.0
257.11774	1.3
267.06458	1.2
267.21082	0.9
273.07562	2.8
285.07648	7.8
285.22055	1.7
287.12695	1.6
303.08609	100.0
303.22769	1.2
304.08865	2.1
313.18073	0.9
331.11774	17.1
331.18961	1.6
465.22394	1.5
483.21838	3.8
483.25473	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	483.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48935	1.9
53.03943	8.3
55.01876	17.9
57.03425	6.0
61.02906	1.6
67.07020	1.7
69.03427	32.6
69.37470	2.0
69.37795	18.3
70.43140	1.5
71.01349	3.4
71.04984	6.2
73.02930	2.4
79.05480	2.9
81.03412	84.7
81.07037	3.5
83.01331	2.6
83.04993	1.8
85.02904	28.6
87.04469	3.5
91.05456	3.6
93.07037	3.4
95.04993	2.2
97.02884	15.9
99.04476	9.0
101.02392	6.4
103.05450	4.4
105.07024	4.3
107.04972	3.2
107.08580	2.6
109.02879	40.7
115.03915	3.8
119.01382	1.6
119.04963	4.1
119.08549	2.1
123.04408	2.8
125.02198	1.9
127.03915	30.7
127.04804	2.8
131.04950	9.5
131.05798	2.0
133.04953	3.4
135.11665	2.2
137.02364	5.9
145.02756	2.6
145.04968	3.4
147.04408	33.4
151.03984	2.4
153.01810	9.7
153.12743	8.7
154.13084	3.8
157.02872	2.0
157.10229	1.8
159.04411	12.9
163.03830	10.8
165.01852	16.3
165.05493	4.7
169.01344	1.8
175.03908	43.1
177.01851	2.9
177.05386	9.7
178.02583	2.1
179.03383	5.7
187.03932	4.2
191.03365	21.3
192.00479	3.5
193.01318	32.0
193.04927	11.6
201.01843	5.7
203.03386	93.7
204.03838	1.9
205.01282	4.3
205.04984	6.7
207.02913	3.0
209.00868	2.0
211.02338	2.8
219.02884	38.0
221.00829	100.0
221.04372	57.3
221.06689	3.1
231.02875	44.4
233.00859	6.0
247.02380	44.9
249.03918	42.0
253.43526	2.1
259.02359	3.3
265.03354	7.2
268.20282	1.8
275.01831	32.8
277.03497	4.1
293.02963	27.6
303.01352	3.8
321.02377	97.8
322.02731	2.2
339.03467	88.9
340.03931	2.6
447.05792	2.8
465.06741	14.8
483.07681	56.4
484.08160	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45375	2.2
53.03941	7.5
54.54893	1.9
54.63031	2.2
55.01864	14.3
55.05508	3.7
56.05043	2.6
57.03430	5.7
69.03423	28.5
69.07067	11.8
69.51617	16.7
70.06576	3.1
71.01371	2.8
71.04973	3.0
73.02914	3.6
79.01869	2.8
81.03410	82.9
83.04957	2.5
85.02904	27.4
91.05481	5.0
97.02872	18.8
98.21047	8.5
99.03887	2.1
99.04443	12.8
101.02374	6.3
103.05460	5.9
105.07027	2.6
109.02867	46.4
111.04449	3.2
119.04927	12.9
120.08097	13.7
123.04386	2.9
125.05931	2.0
127.03906	36.6
130.06535	4.6
131.04941	6.2
135.04442	4.0
135.11734	3.1
137.02370	10.4
139.03877	7.2
145.04985	6.5
147.04410	60.0
151.33037	2.1
152.19565	2.0
153.01819	30.7
153.12726	27.0
157.07607	4.0
159.04422	11.7
161.06012	2.6
163.03937	7.5
163.06279	2.3
165.01836	15.7
165.05467	2.4
175.03908	32.1
175.08679	3.0
177.05475	5.9
178.12146	2.1
179.03442	3.7
187.03940	4.5
191.03357	13.2
193.01312	32.5
193.04912	11.1
201.01888	5.0
203.03391	66.5
205.01427	3.1
205.05002	4.6
209.00780	2.3
211.02383	2.8
215.03439	3.1
219.02870	21.4
221.00815	100.0
221.04312	41.5
223.02388	2.8
231.02876	39.1
247.02382	31.7
249.03905	27.9
257.12891	3.7
259.02429	11.1
265.03516	4.3
267.11365	5.4
275.01834	22.6
277.03427	34.0
285.12482	6.3
293.02805	15.4
303.01294	3.9
303.13315	14.1
308.32599	2.2
321.02405	69.8
321.06262	3.3
321.14319	10.8
321.17908	2.2
339.03467	74.3
340.04251	2.3
395.28036	2.1
447.06042	3.0
465.06592	9.6
483.07715	80.5
483.14767	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	482.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.8
56.05025	1.3
57.03420	1.0
57.07078	3.5
58.06595	1.9
60.08161	17.0
64.26883	0.6
65.57267	0.6
67.05498	1.0
69.73775	0.6
70.04156	3.5
71.07370	6.8
71.08636	3.2
71.08987	0.7
74.43493	0.6
75.10987	0.6
79.05442	0.6
81.07043	2.0
85.10200	1.2
86.09705	54.3
91.05480	1.0
92.62022	0.7
95.08600	1.5
98.21354	0.8
98.98476	3.3
104.10741	100.0
124.99997	30.4
131.04950	1.0
132.05269	0.6
148.90552	0.7
181.02582	0.6
184.07336	94.8
197.05064	0.6
230.83046	0.6
258.11014	1.0
267.16083	0.7
299.25891	1.3
349.28214	0.6
402.88470	0.6
413.67603	0.9
424.69843	0.7
464.31409	10.5
482.32428	42.5
483.32339	1.1
492.54675	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13068	2.7
53.03936	8.7
55.01859	11.3
55.05500	7.4
56.09111	2.3
57.03424	6.7
60.00892	2.6
64.12020	3.0
69.03421	28.7
69.07070	16.4
70.06567	2.9
70.85070	8.7
71.04985	4.4
73.02905	6.1
78.85502	2.7
79.05499	3.8
81.03413	98.3
82.03694	2.6
85.02899	30.3
91.05470	13.2
94.39745	2.6
97.02882	20.9
99.04451	8.4
101.02401	4.1
103.05436	4.3
109.02876	55.4
111.04433	4.8
113.03486	7.1
119.04185	2.8
119.04906	17.4
119.62933	2.8
120.08108	17.7
121.02818	3.5
123.04443	3.5
127.03897	35.5
130.06499	5.4
131.04916	9.6
135.11691	5.4
137.02324	12.6
137.05997	3.8
139.03848	4.2
145.04930	4.5
147.04396	76.1
153.01833	34.6
153.12724	35.7
157.07558	5.0
159.04445	11.3
163.03960	13.6
165.01828	18.6
167.03249	3.4
169.01395	3.7
175.03888	38.1
177.01831	4.9
177.05534	7.0
179.03288	3.4
191.03426	17.3
193.01321	34.3
193.04951	6.1
201.01912	6.8
203.03372	65.9
205.01295	3.9
205.05005	6.6
206.08286	3.8
207.02815	6.2
211.02325	3.4
219.02870	31.0
221.00812	100.0
221.04349	35.8
231.02872	44.4
233.00905	6.7
233.70517	3.5
247.02353	31.4
249.03937	30.2
259.02371	13.8
267.11191	3.0
275.01810	23.6
277.03439	42.2
285.12265	9.1
293.02988	16.9
303.01239	6.0
303.13324	11.8
321.02390	65.8
321.14368	15.9
321.17734	4.0
339.03464	67.3
465.06503	10.8
483.07767	70.7
483.14767	11.2
502.17978	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	482.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71489	0.8
52.02369	0.8
53.03941	1.5
55.01856	2.1
55.05502	4.1
57.03439	13.1
57.07064	1.4
59.05006	4.4
61.02918	1.9
66.81789	0.7
67.05498	2.7
69.03427	44.2
69.06724	1.0
69.07069	13.9
69.50399	4.4
69.50823	2.6
71.04597	0.8
71.04987	15.7
73.02892	2.6
73.06546	2.0
75.04465	2.3
79.05489	3.6
81.03407	5.9
81.07056	16.1
83.04962	1.9
83.08616	3.9
85.02905	40.0
87.04465	28.2
91.05472	3.5
93.07040	18.2
95.04945	3.0
95.08611	8.1
97.02888	39.3
97.05891	0.8
97.06519	2.9
98.21423	1.9
99.04431	1.7
100.11249	1.0
103.03927	2.0
105.07034	7.2
107.04993	1.1
107.08589	16.1
109.02871	4.0
109.06497	4.5
109.10155	5.5
112.11310	0.8
115.03930	46.5
117.06973	1.2
119.08573	4.7
121.06496	1.4
121.10128	2.6
123.04420	6.0
123.08064	1.6
123.11694	1.2
125.13264	3.2
127.03905	6.7
131.08560	2.0
133.04961	46.8
133.06461	15.7
133.10098	1.1
135.08022	1.0
135.11691	25.3
137.06033	1.0
137.09543	0.9
137.13213	2.0
139.03894	3.8
139.11185	1.3
143.08615	1.0
145.04935	6.9
145.10107	2.1
147.04414	2.3
147.08064	2.5
147.11700	2.1
149.09572	0.9
151.03876	1.7
151.11140	2.0
153.01831	4.9
153.12744	100.0
159.08014	1.6
159.11668	1.1
161.09622	1.1
163.06033	1.6
163.11189	1.5
165.12752	5.6
169.04996	1.2
171.13774	1.7
173.09639	2.4
173.13347	1.0
177.12755	3.8
178.04919	1.5
183.08092	0.8
187.05829	1.1
189.09085	0.8
189.12820	1.6
191.30446	0.8
193.04871	1.2
195.13815	3.2
201.12769	1.5
203.03488	1.9
207.13722	1.7
219.13805	1.7
221.00801	1.2
226.12344	1.0
231.13794	2.1
237.14818	1.1
241.07014	2.1
243.13882	1.2
249.14925	2.8
251.76889	1.1
259.08182	4.2
261.14844	2.4
267.15884	3.7
277.09125	2.0
279.15872	2.4
285.16858	8.6
295.10141	6.1
297.16940	3.4
315.18005	11.7
319.04477	2.5
320.04788	5.5
321.02362	1.6
333.19089	3.6
483.08029	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.9
55.01861	1.4
55.05508	5.4
57.03435	5.4
61.02921	1.8
67.05492	7.4
69.03436	5.1
69.07067	3.4
70.06588	1.1
70.95049	1.4
70.95400	2.1
71.04990	3.1
73.02913	1.1
79.01867	1.1
79.05486	6.6
81.03416	23.9
81.07064	9.4
83.04972	4.9
83.08624	7.4
85.02901	13.7
87.04475	1.4
91.05476	10.3
93.07045	6.9
95.04964	11.8
95.08610	3.3
97.02908	6.1
97.06543	2.1
97.10195	1.4
99.04484	0.9
105.07033	5.9
107.04936	3.0
107.08589	3.8
109.02895	2.0
109.06527	2.7
109.10160	1.5
111.08073	4.8
115.03196	1.1
115.03935	4.2
119.08585	7.1
121.10152	3.1
123.04411	1.8
123.08089	1.1
127.03954	3.6
129.07036	2.9
131.08571	3.7
133.04964	3.7
133.10133	3.8
135.11691	5.7
143.03389	1.1
147.07985	1.5
147.11713	5.8
149.09627	2.3
151.03946	2.3
153.01826	26.8
153.12733	12.5
157.10085	4.9
165.12828	1.2
168.10445	1.0
169.04910	5.5
171.02925	3.9
171.13838	3.0
175.11174	5.1
193.12231	23.5
211.13300	22.7
222.06000	1.0
261.42166	1.1
267.15945	6.9
285.16949	100.0
286.17294	2.4
297.06058	2.7
315.07184	1.4
320.04727	1.3
447.22229	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01867	1.1
55.05507	1.1
57.03180	0.2
57.03430	2.5
57.07046	0.3
59.04998	1.5
60.46167	0.2
61.02914	1.7
67.05486	0.5
68.47860	0.2
69.03075	0.4
69.03423	5.6
69.07059	1.3
69.46824	0.8
69.47258	0.9
71.01334	0.5
71.04985	10.7
73.02911	7.4
73.03275	0.2
73.06553	2.5
79.05482	2.4
80.21152	0.2
81.03390	0.8
81.07047	11.8
83.08617	0.2
85.02896	13.9
85.06500	0.3
87.04467	0.4
89.16839	0.2
90.18324	0.2
91.03943	0.5
91.05470	1.1
93.07035	8.7
95.04948	0.3
95.08602	1.8
97.02881	10.9
97.06521	0.9
98.20998	0.8
99.04440	0.6
103.03916	0.6
105.06998	0.2
107.08585	7.5
109.02875	1.4
109.10139	1.2
111.08144	0.3
111.20344	0.2
115.03915	3.8
119.08549	0.3
121.78528	0.2
123.04386	0.2
123.99039	0.2
127.03902	4.6
133.03983	0.4
133.04948	4.6
135.11676	16.9
136.12009	0.3
145.04948	5.3
147.04390	0.2
153.12727	100.0
154.13063	1.1
155.98203	0.2
163.06004	3.0
167.47906	0.2
171.13765	0.7
181.04976	0.2
187.06009	0.2
199.05959	0.2
217.07088	0.4
223.06017	1.2
235.76300	0.2
241.07069	1.6
259.08130	3.4
261.59717	0.2
277.09244	0.6
289.84488	0.2
295.10172	1.2
298.31842	0.2
482.25812	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	4.5
55.02127	1.4
55.81916	1.5
56.96541	1.9
68.99770	1.8
69.03413	5.7
70.06572	3.8
70.93961	5.0
81.03405	7.8
81.40937	1.6
85.02889	6.1
95.04982	1.7
97.02878	3.0
99.04443	2.4
107.04943	2.8
109.02843	6.1
111.04428	2.6
112.07581	4.8
116.16885	1.4
119.04947	2.5
121.02886	2.4
123.04414	100.0
127.03891	5.2
133.04958	1.8
135.04405	3.9
137.02321	6.6
139.03880	10.6
141.01759	2.5
147.04382	7.7
149.02286	4.4
149.05896	2.3
151.03923	5.3
153.01810	20.4
154.02060	2.5
158.08116	8.2
159.04369	1.9
163.03940	8.7
165.01793	20.9
165.05402	3.7
169.01292	3.0
171.02873	3.1
171.06509	4.9
175.03851	3.0
177.01790	8.4
177.05432	7.3
179.03362	8.9
183.02885	28.7
191.03403	8.3
193.01089	1.8
193.04900	1.8
195.02974	2.5
195.06552	1.8
203.03339	2.0
205.01360	4.4
205.05006	8.2
207.02859	7.2
215.03349	2.0
217.05084	1.9
221.00821	2.4
221.04428	4.9
223.02341	15.4
227.68265	1.6
233.04442	18.4
235.02332	3.9
243.02840	1.9
247.02194	2.2
249.03879	10.0
261.03931	11.7
267.04919	9.0
277.03412	13.7
279.04846	1.5
295.04474	10.3
297.06027	18.2
313.05511	80.2
315.06970	4.0
325.05435	7.3
411.07169	3.2
419.09644	2.1
429.08069	6.7
447.09235	17.4
465.10175	12.3
482.06339	3.9
482.12653	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	481.316
Annotation	Xestobergsterol B
Peak:m/z	Relative Intensity
53.03940	2.8
55.01873	5.8
55.05259	3.4
55.05508	42.2
57.03435	15.2
57.07064	4.4
63.81795	1.7
65.03943	3.7
65.82179	1.6
67.05500	72.9
69.03436	6.5
69.07062	29.3
71.04991	9.4
71.19691	4.4
75.34184	1.6
78.08161	1.9
79.05491	52.9
81.03413	39.1
81.03850	2.9
81.07048	93.8
83.04965	18.2
83.08611	31.9
85.02904	17.0
85.06532	9.2
91.05470	48.9
91.06008	3.4
93.07037	53.6
95.04960	32.5
95.08599	65.0
97.02890	4.3
97.06513	20.2
97.10157	21.9
98.03178	1.8
99.08098	4.8
103.05479	2.6
105.07024	44.0
107.04968	7.9
107.08588	35.2
109.06493	15.0
109.10136	21.5
111.04473	5.6
111.08091	12.9
111.11726	2.2
115.05511	2.2
117.07006	14.4
119.08574	46.6
119.09347	3.9
121.06529	5.3
121.10127	24.1
123.04415	5.3
123.08082	8.6
123.11699	7.2
125.09626	16.1
129.06989	10.4
131.08557	21.7
133.06505	4.3
133.10109	24.7
135.04382	3.7
135.08096	6.1
135.11661	15.4
137.05956	11.8
137.09624	5.6
137.13292	4.4
139.03964	3.2
142.07841	2.1
143.08597	8.9
145.06364	2.5
145.10097	13.7
147.04424	4.7
147.08084	4.2
147.11685	17.5
149.02361	3.6
149.09654	7.5
149.13268	6.1
151.03963	2.5
151.11188	4.4
153.01877	7.1
155.08586	4.7
157.10106	15.7
159.11656	10.0
161.09663	2.6
161.13263	20.1
163.11186	4.1
165.12820	4.1
167.07106	3.4
171.11635	3.6
173.13318	7.6
175.11177	10.9
175.14990	3.4
177.12874	2.8
179.14272	11.1
183.11772	3.3
185.13261	13.3
185.78455	2.3
187.11203	2.5
189.11230	7.9
189.12750	2.9
191.10599	2.2
191.14272	2.3
193.05057	2.6
193.12202	36.4
193.13783	2.2
195.11792	2.8
199.14850	4.6
199.26137	2.2
201.16487	4.2
203.14413	6.6
209.13417	3.1
211.13261	42.5
217.15881	2.7
219.17444	3.5
221.15408	12.6
227.12756	3.8
229.14452	5.5
235.17046	5.9
237.07704	3.3
239.14487	2.5
249.14999	2.5
253.17961	33.9
259.16946	3.3
267.15897	23.8
271.19177	7.1
272.25800	2.7
277.17889	3.9
285.16989	16.9
304.98782	2.2
309.20554	2.4
311.16449	2.7
313.18094	2.1
335.23822	3.8
337.57565	2.0
353.24817	8.9
359.26328	2.5
371.25815	17.3
389.26834	18.9
407.28122	5.5
409.27518	2.4
427.28461	6.6
433.29681	4.1
445.29202	22.5
463.30539	100.0
481.31686	67.2
482.31705	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	481.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	9.2
54.57531	2.4
54.87591	2.7
55.01854	6.7
55.05505	29.6
56.96529	2.5
57.03434	12.4
57.07050	3.6
63.36213	2.4
65.03924	4.2
67.05500	72.5
69.03407	13.0
69.07063	27.6
71.04986	8.8
79.05058	3.7
79.05482	45.3
81.03416	50.8
81.06577	4.8
81.07048	75.0
83.04976	97.7
83.08614	23.6
85.02894	26.2
85.06533	8.3
91.05476	70.3
93.07037	47.7
95.04973	29.8
95.08598	38.0
97.02879	4.0
97.06484	9.6
97.10165	8.0
99.04436	6.5
99.08068	3.6
105.07024	71.9
107.04946	17.5
107.08582	55.8
108.92722	2.4
109.02873	3.7
109.06498	16.1
109.10147	89.7
111.04419	5.9
111.08048	11.2
113.06015	4.5
115.05469	3.3
117.07015	4.5
119.08568	29.3
121.06512	13.2
121.10162	15.6
123.04423	16.2
123.08052	4.4
123.11672	16.9
125.09597	6.7
127.07527	3.6
128.06190	2.8
129.06993	9.9
131.08537	17.3
133.06482	4.2
133.09096	5.5
133.10110	91.5
135.04411	4.5
135.08029	38.0
135.11653	14.7
137.05965	23.1
137.09567	4.7
139.03888	9.7
143.08441	3.1
145.06490	3.0
145.10106	10.8
147.04382	6.4
147.08043	8.2
147.11685	16.0
149.06003	3.5
149.09575	8.1
149.13239	3.6
151.03885	5.7
151.07541	5.6
151.11168	48.7
153.01729	2.8
153.05396	2.8
157.10106	11.1
159.11694	4.3
161.05948	5.9
161.09650	6.4
161.13167	3.6
163.03847	6.5
163.11174	3.2
165.05473	4.7
165.12808	3.6
167.07018	5.3
169.12213	11.0
171.07918	3.5
171.11636	3.6
173.13263	6.1
175.11172	10.1
175.14806	2.9
177.05536	4.3
179.10611	3.5
185.13254	3.2
187.14748	2.7
193.12219	38.8
201.12756	3.5
203.06979	3.3
203.14265	3.5
211.13245	53.6
212.13756	3.1
215.12775	8.1
227.14302	6.9
245.15340	4.2
253.14345	100.0
264.74185	2.9
267.15887	8.4
271.15375	8.9
273.07538	3.0
285.11090	4.6
301.21576	15.4
311.16403	9.7
319.22641	3.5
329.17380	6.8
427.28442	3.9
437.19217	3.1
445.25806	4.9
463.21170	5.5
463.26907	15.7
481.22171	5.8
481.27902	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0975
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
53.03926	0.5
55.01852	0.6
57.03422	0.7
59.04999	0.2
61.02920	1.3
68.99789	1.0
69.03429	3.4
71.03535	0.4
71.03877	0.2
71.04976	0.5
73.02909	0.4
75.32516	0.2
78.17631	0.2
81.03428	2.0
81.57269	0.2
83.01310	0.3
84.73402	0.2
85.02904	10.3
87.04449	0.5
91.03930	0.4
97.02886	4.1
99.04423	0.6
109.02885	1.8
111.00801	2.3
111.04488	0.3
113.12948	0.2
121.02765	0.2
123.05633	0.2
125.02335	0.2
127.03930	2.3
137.02322	1.7
137.05962	0.3
139.03929	0.2
145.04953	2.1
153.01822	9.1
153.05464	0.3
165.01830	2.8
166.02617	0.4
177.05530	0.2
179.03416	1.2
183.02905	1.0
189.05443	0.7
191.03326	0.3
195.02808	0.6
199.03909	0.5
203.03336	0.5
207.02888	0.5
217.04938	3.4
219.02957	0.3
227.03348	0.3
232.03551	0.3
235.02426	0.4
235.06026	0.3
239.01826	0.3
244.03596	0.4
245.04442	4.6
255.02869	0.7
263.05527	0.6
272.02988	0.3
273.03915	3.9
290.04239	1.1
301.03394	0.9
319.04477	100.0
320.04803	2.0
337.02094	0.4
481.06161	0.7
492.34451	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.7
53.03946	7.6
55.01886	1.3
57.03420	1.5
65.23774	0.5
69.03427	14.5
69.55818	1.4
69.56247	2.9
71.01349	2.2
71.04983	1.3
71.91814	0.6
73.02924	0.9
75.05605	0.8
79.05494	0.7
81.03414	71.6
83.01355	1.0
83.06273	0.5
85.02898	7.0
89.46033	0.5
91.05497	0.9
97.02889	3.9
99.04458	2.8
101.02346	1.1
107.04926	1.0
109.02878	32.4
117.03372	1.3
120.08099	1.2
123.04430	1.3
127.03915	6.6
133.02850	1.7
135.04439	1.5
137.02342	0.8
139.03922	0.7
145.02858	0.8
147.04417	2.1
151.03931	1.3
153.01846	2.4
161.02353	2.6
163.03886	6.7
165.01851	1.5
172.88400	0.5
173.02374	1.7
174.78986	0.5
175.03860	1.2
177.05414	0.7
179.03395	3.0
181.01268	0.6
189.01799	6.3
191.03387	9.5
193.01361	0.7
199.11038	0.6
201.01851	2.4
203.03371	1.6
207.02905	7.2
217.01309	14.7
218.01999	0.9
219.02890	10.3
221.00797	2.7
221.04413	1.1
229.01335	1.1
231.02856	1.6
235.02376	24.7
239.01750	1.0
245.00813	12.9
247.02380	6.6
249.03998	0.7
257.01053	1.0
259.02240	1.0
263.01865	9.8
273.00302	10.9
273.03357	1.1
274.01257	1.0
275.01813	8.1
277.03378	0.8
277.10022	0.7
287.01883	0.9
289.75565	0.6
291.01337	6.5
293.03009	1.2
300.99802	3.6
301.03262	1.2
301.11783	1.1
302.00519	1.0
303.01227	0.9
304.89926	0.6
319.00870	5.6
319.04523	3.3
319.13190	1.1
337.01892	25.5
350.71655	0.7
379.03015	0.9
407.02478	2.1
417.04636	0.8
463.05011	13.8
481.06140	100.0
481.21652	2.2
482.06427	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	481.0971
Annotation	4-o-Galloylbergenin
Peak:m/z	Relative Intensity
55.01870	0.4
55.87595	0.3
57.03428	2.2
61.02905	0.3
61.67878	0.3
62.14686	0.3
67.58591	0.3
68.56871	0.3
68.99792	1.0
69.03425	1.1
69.87634	1.2
69.88046	0.6
71.01383	0.3
71.04988	16.9
73.02921	0.6
75.04488	0.8
78.51309	0.3
79.01848	1.1
79.05482	0.4
81.03415	2.0
83.04983	0.5
84.04512	0.4
85.02901	17.0
87.04470	0.5
91.05486	0.6
93.07059	0.3
95.01326	0.7
95.04958	0.3
97.02882	0.8
101.88121	0.3
103.05473	0.3
107.04882	0.3
109.02868	1.1
111.04418	0.6
119.08694	0.3
120.08064	0.3
121.02804	0.4
121.06537	0.4
123.00763	1.1
123.04433	0.7
123.96745	0.3
125.02339	1.8
127.04000	0.5
127.17358	0.4
129.05486	3.4
131.04924	0.7
137.02362	0.7
137.05966	0.5
138.05499	0.4
139.03874	1.4
141.01883	0.6
143.03386	1.5
146.14026	0.3
147.04408	0.7
147.06516	0.6
149.02351	0.4
149.05937	0.3
153.01817	25.5
159.04428	0.7
163.03889	1.0
165.01816	1.1
166.02588	0.4
169.01323	4.4
177.05470	3.5
179.03439	0.4
181.01286	0.9
184.73254	0.3
185.00859	0.6
187.03911	2.0
189.01871	0.4
191.03419	1.3
195.02930	0.6
203.03400	0.4
205.04948	1.2
215.03362	2.7
219.02858	1.1
233.04375	2.3
235.02400	0.4
237.03912	0.4
243.02904	1.7
245.04527	0.6
247.02393	0.5
255.41380	0.3
261.03928	4.6
265.03152	0.5
271.02402	2.1
273.03806	0.3
279.04984	0.6
289.03406	14.6
290.03983	0.6
299.01868	1.3
307.04565	0.5
311.08948	0.3
317.02890	16.0
318.03329	0.6
319.04465	6.9
329.10196	0.4
333.06042	0.4
335.03940	100.0
336.04419	1.7
337.01819	0.5
377.04434	0.3
391.71240	0.3
481.06351	1.0
481.20761	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3081
Annotation	1-18:1-lysoPE
Peak:m/z	Relative Intensity
55.05504	8.3
55.62282	2.2
57.03432	3.9
57.07062	5.3
62.06081	23.2
64.13947	1.9
67.05499	11.0
69.07061	17.7
70.76108	2.7
70.76438	5.1
71.08603	2.8
73.02931	2.0
79.05481	4.0
81.07066	12.8
83.04953	2.0
83.08622	11.6
85.45165	2.3
89.34085	2.1
93.07025	5.3
95.04952	2.1
95.08598	12.4
97.10166	6.9
98.06066	4.3
98.98463	4.7
104.66542	2.0
105.07002	3.0
107.08570	3.9
109.10159	4.7
121.10154	5.4
135.11668	3.9
150.15555	2.1
155.01042	6.4
158.40010	2.0
172.43166	2.5
198.05399	2.3
246.88211	2.0
265.25360	4.1
278.28265	2.3
308.29468	27.1
339.28934	100.0
351.95905	2.1
371.09668	2.1
419.25745	4.3
425.43628	2.1
462.29599	5.4
480.14600	2.5
480.30603	4.8
481.14932	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	480.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.5
53.00315	0.3
53.03934	1.0
55.01855	0.5
56.96538	0.2
57.03432	0.6
68.08443	0.2
69.03136	0.2
69.03429	3.3
71.04988	0.3
71.50354	0.4
74.84438	0.3
79.01857	2.5
80.24982	0.2
81.03414	8.2
83.06100	0.3
85.02895	3.2
85.76718	0.2
88.21206	0.2
93.80127	0.3
97.02885	5.4
99.04447	1.0
107.01305	1.4
109.02878	5.3
110.07098	0.4
123.04417	0.3
125.02338	3.5
127.03912	7.9
143.03395	5.1
145.04933	1.8
146.39862	0.3
153.01820	100.0
154.02124	1.2
169.01242	0.3
171.02878	16.3
235.02367	0.3
240.47505	0.3
279.05051	0.3
297.06021	10.7
315.07074	17.5
316.07288	0.5
341.39154	0.3
435.16953	0.4
480.17715	0.5
481.06454	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11407	1.4
53.03938	5.8
55.01861	5.5
55.05510	20.5
56.96563	3.9
57.03439	10.5
57.07070	1.6
61.02912	2.0
65.03921	3.3
67.05501	57.8
69.03408	3.2
69.07064	21.9
71.04984	8.4
71.05277	2.7
79.05489	45.4
81.03413	36.1
81.06575	3.5
81.07052	66.5
82.07399	1.9
83.04976	12.0
83.08620	23.9
85.02899	18.8
85.03372	2.3
85.06539	4.4
91.05482	42.0
93.07040	53.0
95.04968	30.2
95.08602	23.8
97.02871	3.1
97.06513	10.1
97.10155	5.2
99.08092	3.6
103.37573	1.5
105.07020	24.3
107.04931	5.7
107.08586	27.5
109.06501	7.1
109.10140	7.0
111.04413	2.5
111.08069	11.5
113.06041	2.7
115.05377	1.6
117.07028	9.3
119.08566	17.8
121.06538	3.2
121.10126	17.1
122.03658	4.0
123.08084	2.8
123.11713	4.6
125.09613	3.4
128.06201	2.0
129.06989	11.2
131.08548	17.6
131.09402	2.0
133.06538	2.8
133.10112	16.1
135.11714	7.5
137.05960	30.5
137.09625	2.1
138.06357	7.2
139.11189	2.1
145.10101	3.3
147.08057	2.8
147.11690	10.6
149.09648	4.8
149.13246	23.9
155.08594	1.8
157.10123	9.5
159.11682	8.5
163.11145	1.7
165.12724	2.6
169.10107	1.8
175.11162	12.2
177.12758	4.3
193.12227	38.1
195.13754	10.3
211.13297	46.1
211.15266	2.8
213.14920	1.5
226.11182	4.5
227.11426	2.3
243.86095	1.6
244.12234	5.3
248.11597	1.6
249.14993	1.9
265.83496	1.6
267.15869	9.1
269.17471	10.8
325.17941	3.7
325.68143	10.7
326.18341	9.8
326.68317	3.3
343.22641	1.7
344.15500	2.0
346.19366	1.8
369.24362	2.4
387.25336	4.5
398.42038	1.5
443.27716	3.5
461.28928	23.2
479.30008	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11407	1.4
53.03938	5.8
55.01861	5.5
55.05510	20.5
56.96563	3.9
57.03439	10.5
57.07070	1.6
61.02912	2.0
65.03921	3.3
67.05501	57.8
69.03408	3.2
69.07064	21.9
71.04984	8.4
71.05277	2.7
79.05489	45.4
81.03413	36.1
81.06575	3.5
81.07052	66.5
82.07399	1.9
83.04976	12.0
83.08620	23.9
85.02899	18.8
85.03372	2.3
85.06539	4.4
91.05482	42.0
93.07040	53.0
95.04968	30.2
95.08602	23.8
97.02871	3.1
97.06513	10.1
97.10155	5.2
99.08092	3.6
103.37573	1.5
105.07020	24.3
107.04931	5.7
107.08586	27.5
109.06501	7.1
109.10140	7.0
111.04413	2.5
111.08069	11.5
113.06041	2.7
115.05377	1.6
117.07028	9.3
119.08566	17.8
121.06538	3.2
121.10126	17.1
122.03658	4.0
123.08084	2.8
123.11713	4.6
125.09613	3.4
128.06201	2.0
129.06989	11.2
131.08548	17.6
131.09402	2.0
133.06538	2.8
133.10112	16.1
135.11714	7.5
137.05960	30.5
137.09625	2.1
138.06357	7.2
139.11189	2.1
145.10101	3.3
147.08057	2.8
147.11690	10.6
149.09648	4.8
149.13246	23.9
155.08594	1.8
157.10123	9.5
159.11682	8.5
163.11145	1.7
165.12724	2.6
169.10107	1.8
175.11162	12.2
177.12758	4.3
193.12227	38.1
195.13754	10.3
211.13297	46.1
211.15266	2.8
213.14920	1.5
226.11182	4.5
227.11426	2.3
243.86095	1.6
244.12234	5.3
248.11597	1.6
249.14993	1.9
265.83496	1.6
267.15869	9.1
269.17471	10.8
325.17941	3.7
325.68143	10.7
326.18341	9.8
326.68317	3.3
343.22641	1.7
344.15500	2.0
346.19366	1.8
369.24362	2.4
387.25336	4.5
398.42038	1.5
443.27716	3.5
461.28928	23.2
479.30008	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.8
55.01862	4.7
55.05510	20.2
56.96556	4.1
57.03431	12.4
57.07057	1.3
61.02912	2.8
65.03921	3.2
67.05499	59.1
69.03419	3.7
69.07064	20.9
71.00513	4.0
71.04993	6.4
71.08605	2.0
73.02935	2.9
77.03920	1.6
79.05488	52.8
81.03415	50.5
81.07051	83.5
82.07430	1.3
83.04966	14.2
83.08617	26.3
85.02901	24.9
85.06527	4.0
85.07018	1.4
91.05471	49.7
93.07035	54.6
93.54762	1.3
95.04967	32.1
95.08607	24.1
97.02875	5.0
97.06523	10.4
97.10149	5.0
99.08106	2.0
105.04497	1.7
105.07026	23.6
107.04946	5.3
107.08591	30.5
109.06512	7.2
109.10143	5.4
111.04450	2.3
111.08056	12.5
113.05999	2.5
117.06993	9.1
119.08569	17.3
121.06496	5.1
121.10133	14.9
123.08047	2.5
123.11710	4.4
125.09591	2.4
127.03975	1.7
129.07005	9.1
131.08563	17.0
133.06528	3.2
133.10146	15.7
135.08025	2.4
135.11691	8.8
142.07809	2.3
143.08632	1.6
145.10127	3.3
147.08055	2.6
147.11662	11.7
149.09612	5.9
149.13242	17.0
151.11189	3.1
157.10162	11.0
159.11642	9.7
165.12772	2.1
175.11168	10.8
177.12752	4.8
185.13280	1.4
189.11153	2.2
193.12227	34.2
195.13815	11.5
203.05952	1.5
211.06476	1.7
211.13284	44.8
213.14919	1.5
267.09067	6.2
267.15768	6.8
269.10672	2.1
269.17462	5.8
285.10086	14.0
285.17020	2.5
308.11694	1.8
324.11420	5.1
343.22495	2.0
349.16519	1.4
361.23798	1.6
365.15619	3.7
369.24002	3.7
387.25308	5.2
398.19769	1.6
435.28070	1.4
461.28931	10.3
479.30011	100.0
480.30707	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	479.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02345	1.1
53.03936	3.3
53.57879	1.3
53.87340	1.2
55.01855	5.5
55.05503	23.2
57.03423	13.6
57.07065	2.8
58.33569	1.2
65.03927	2.4
67.05501	60.5
69.03416	3.5
69.07067	19.6
70.53638	4.0
71.04992	8.4
79.05486	48.4
81.03413	41.7
81.07052	74.4
81.34126	1.4
83.04982	12.5
83.08619	21.6
85.02902	19.3
85.06514	4.4
91.04895	2.3
91.05470	46.3
93.07035	56.4
95.04964	38.7
95.08055	1.8
95.08601	23.2
97.02879	3.0
97.06512	12.2
97.10138	5.2
97.72257	1.4
99.08088	3.0
105.07023	25.4
105.07688	2.6
107.04954	6.2
107.08590	28.1
109.06518	7.8
109.10137	5.6
111.04427	2.3
111.08069	9.8
113.06017	2.3
117.06981	8.6
119.08569	17.4
121.06474	3.2
121.10136	19.7
123.08018	2.6
123.11674	2.4
125.09605	3.0
129.07007	8.6
131.08553	13.9
133.06505	2.8
133.10126	13.3
135.08084	2.6
135.11667	6.2
145.10083	1.6
147.08037	2.8
147.11690	12.9
149.09596	5.7
149.13260	24.1
151.11194	1.4
157.10098	11.4
159.11673	11.0
163.11241	1.6
165.12732	3.7
169.10168	1.7
173.13269	1.6
175.11188	11.5
177.12698	3.5
193.12222	39.7
195.13814	8.0
211.13266	51.3
237.14906	1.9
249.14842	2.1
267.15875	11.2
269.17444	9.6
341.25037	1.5
343.22583	3.3
351.23657	1.5
361.23480	2.1
369.24234	5.5
373.92468	1.3
387.25259	9.8
417.26495	2.0
435.27170	1.6
458.12686	1.3
461.28918	19.8
479.29987	100.0
480.30435	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	479.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	13.8
55.01859	10.8
55.05509	36.9
57.03439	41.7
57.07067	6.4
57.17289	3.5
61.02915	3.5
67.05170	7.1
67.05503	97.5
69.03077	5.2
69.03430	65.6
69.07063	29.7
69.62220	19.1
69.62649	13.3
71.01353	7.5
71.04979	13.3
73.02902	12.3
79.05492	66.3
81.03413	59.9
81.07056	91.2
83.04961	19.6
83.08611	18.1
85.02912	32.6
85.06536	4.7
87.04453	3.9
91.05480	66.6
93.07046	80.6
95.04948	21.8
95.08601	57.4
97.02881	24.1
97.06509	7.4
98.06036	5.3
98.20761	8.0
99.04439	14.4
101.02350	4.4
103.03936	7.5
105.07033	56.1
107.04932	9.2
107.08605	40.0
109.02872	24.9
109.06512	14.3
109.10158	23.8
111.04488	5.3
111.08049	6.9
115.03896	5.8
115.05454	5.7
117.07007	28.8
119.04959	6.6
119.08591	42.7
121.06506	8.2
121.10156	32.3
123.04414	4.9
123.11679	9.8
125.09643	6.1
127.03918	32.0
129.05464	7.3
129.07019	19.6
131.08559	30.5
133.06494	8.8
133.10115	29.8
135.07999	5.6
135.11725	21.5
137.05949	4.4
140.31876	3.7
141.06996	5.9
143.08565	21.5
145.04984	9.7
145.06453	6.5
145.10112	31.6
147.04427	5.7
147.08026	10.6
147.11673	20.1
147.47752	3.8
149.13164	10.4
151.11182	6.0
155.08545	9.3
157.10139	16.4
159.11673	23.0
161.09657	4.7
161.13245	13.3
163.11226	7.6
167.08569	4.1
169.10106	15.3
171.11667	16.2
173.09604	7.5
173.13272	19.5
175.03889	35.2
175.11194	9.5
183.06552	8.4
185.09705	5.7
185.13277	10.5
187.11234	8.1
187.14789	9.0
189.12796	5.0
193.12186	4.6
195.11668	6.4
195.36755	4.4
197.09547	4.4
197.13327	7.7
197.85097	4.1
201.07593	8.3
203.10735	5.0
203.14346	4.5
207.13512	4.1
209.13292	4.5
213.12708	4.4
259.20633	5.6
261.22076	13.0
262.35281	5.4
273.22101	4.5
277.21655	6.3
306.28036	21.9
307.28244	100.0
315.23254	6.2
317.24640	5.3
323.23441	4.6
327.08707	10.4
327.23105	8.8
335.25739	11.1
338.27664	6.1
341.24765	9.7
345.24197	6.7
351.23080	13.4
369.24316	24.3
387.25259	14.3
419.28195	5.3
431.27948	5.5
443.27908	28.2
449.29010	6.9
461.28973	72.4
479.30038	84.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.2
55.01867	9.6
55.05506	15.6
57.03421	7.2
58.98634	3.0
59.04995	4.7
61.39090	2.5
65.03931	3.7
67.05507	33.0
68.99783	6.8
69.03425	17.7
69.07069	13.7
69.42439	26.8
70.06603	4.2
71.04992	4.9
73.02886	3.1
79.05489	38.2
81.03419	13.3
81.07056	49.0
83.04964	16.2
83.08613	10.9
85.02896	16.9
86.09716	6.3
91.05476	41.7
93.07047	35.7
95.04971	18.5
95.08606	28.8
97.02879	6.3
97.06541	6.6
97.10170	7.9
98.20836	4.0
98.46847	2.8
99.08092	4.2
103.05466	10.9
104.06264	5.8
105.03387	2.7
105.07019	50.9
107.04988	18.6
107.08591	20.8
109.02844	5.7
109.06510	13.7
109.10152	10.2
111.04421	6.4
111.08073	5.4
111.67302	2.5
115.05428	6.6
117.07001	13.4
119.04929	9.7
119.08560	21.8
120.08113	2.9
121.06512	15.3
121.10144	15.3
123.04402	26.5
123.08044	9.0
123.11711	6.2
125.02325	5.4
125.05982	3.4
125.09593	3.8
129.06985	5.1
131.04933	10.6
131.08557	12.2
132.05727	11.5
133.06479	22.7
133.10127	13.3
135.04381	8.3
135.08063	7.5
135.11662	7.3
137.02347	3.6
137.06023	7.4
137.09619	4.2
139.03883	16.8
141.07028	4.9
145.06552	4.2
145.10133	10.5
147.04396	17.6
147.08044	41.9
147.11674	14.5
149.05957	11.0
149.09607	7.6
149.13261	6.8
151.03931	8.0
151.07527	40.1
151.11180	3.5
153.01813	20.5
153.06993	3.7
155.08553	5.8
157.06505	2.7
157.10098	4.9
159.04434	5.1
159.11725	5.5
161.05977	29.3
161.09641	6.5
163.03896	11.3
163.07503	6.8
163.11176	5.4
165.01797	5.8
165.05478	8.4
165.06973	6.1
165.09105	11.7
165.12766	3.2
167.03456	5.2
167.07121	3.8
167.08543	10.0
169.06381	2.7
171.11711	3.4
173.09593	5.5
173.13245	7.7
175.03877	7.4
175.11185	4.6
177.01830	4.0
177.05594	13.9
177.06929	5.0
179.07056	9.8
179.08533	6.3
181.01282	23.1
181.06454	6.5
182.15489	3.5
183.04405	5.2
183.08020	6.3
187.03899	3.0
187.11209	7.3
188.04724	3.7
189.05490	9.5
189.11188	4.9
189.12740	2.9
191.03401	11.2
191.07024	5.7
191.08704	3.0
191.10655	5.7
191.14294	3.6
193.01277	15.3
193.06494	6.8
193.08495	5.6
195.07990	19.5
201.12807	3.9
203.03447	15.0
203.07150	3.7
205.01416	3.9
205.04825	7.5
205.06514	10.0
207.02925	5.2
207.06435	6.4
207.08180	4.4
209.00737	19.9
211.02402	11.6
211.07518	12.8
211.11185	6.1
211.13148	4.8
213.05444	5.2
213.12764	3.6
217.01303	9.5
217.15860	4.0
219.06537	5.4
219.13710	4.5
221.00832	4.9
221.05965	19.2
221.07971	4.6
223.02338	16.5
223.07426	18.3
225.09149	4.0
225.12807	5.5
226.06630	2.7
227.03201	3.1
227.07034	3.2
229.04926	4.3
231.02858	4.5
233.06058	6.7
235.02287	14.7
235.07512	10.3
239.07028	21.5
240.07973	4.6
241.04887	3.6
241.08508	8.1
243.02940	3.1
243.15926	4.0
245.00694	3.0
245.04433	5.3
247.02310	3.7
249.00320	11.0
249.05740	15.5
251.06996	23.5
253.05133	4.9
253.08556	5.2
255.02754	3.9
255.06535	7.6
257.04440	30.5
263.01868	12.4
267.06549	47.5
267.09357	3.4
267.15964	4.5
268.07330	5.1
269.04974	5.1
269.08105	25.9
271.02328	4.2
271.06143	4.5
273.07651	4.1
277.05130	13.0
279.06488	17.2
281.04443	5.6
281.08014	4.7
281.19104	4.5
282.05283	4.1
283.02377	16.1
283.05765	4.5
285.07675	8.3
291.01358	11.5
295.02975	2.5
295.06000	68.1
296.07001	5.7
297.07596	50.1
299.05588	4.6
299.09155	8.1
299.19955	8.9
301.03564	3.5
305.04376	10.4
307.06006	21.1
308.03152	4.6
313.07050	31.9
313.10358	5.6
315.04929	6.6
315.08670	7.4
317.17355	3.4
317.21078	10.4
323.01663	4.8
323.05478	100.0
325.07059	38.0
327.08606	12.2
327.15552	3.7
329.10135	5.1
339.08786	3.4
341.06549	76.4
341.10294	3.5
343.08148	11.3
351.04999	81.2
353.06631	3.3
355.04330	4.0
355.08157	37.4
357.09613	11.5
359.07571	9.9
369.06049	75.2
369.24152	8.8
373.09311	14.1
379.04428	11.4
383.07632	31.3
387.07141	16.5
387.25082	8.7
397.05444	18.3
401.08603	27.7
405.26163	3.9
411.07123	9.8
415.06445	7.3
419.09665	5.5
419.14603	6.3
429.08301	13.2
435.17896	3.1
436.31644	3.1
443.28033	4.4
447.08505	3.5
461.14813	4.8
461.20026	5.0
461.29132	15.7
479.16031	11.6
479.25558	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2929
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03935	0.5
55.01876	0.5
55.05509	10.1
57.03436	6.1
57.07077	1.4
62.06082	0.4
65.03928	0.9
66.61703	0.2
67.05502	22.2
69.03406	0.2
69.07065	14.0
70.85809	0.5
71.04977	0.9
71.08608	0.8
71.16338	0.2
73.06566	0.3
79.05489	6.0
81.07052	22.0
83.04971	0.8
83.08614	6.8
83.09113	0.3
85.06548	0.6
85.10172	0.4
91.05473	3.7
93.07037	6.4
95.04961	0.9
95.08603	17.0
97.06538	1.4
97.10168	3.6
98.06023	1.3
98.98462	0.6
99.08086	0.3
105.07019	3.2
107.08578	3.0
109.06512	0.4
109.10155	6.1
111.08073	0.7
111.11720	0.7
112.07545	0.3
113.09647	0.2
116.72014	0.2
119.08585	2.6
121.10130	2.4
123.08080	0.3
123.11700	2.4
124.01599	0.5
127.86667	0.2
133.10123	2.8
135.11681	1.5
137.09619	0.5
137.13257	1.0
143.07019	0.2
147.11664	1.7
149.13242	0.7
151.11143	0.3
161.13272	1.0
163.14775	0.4
175.14825	0.6
189.16484	0.2
198.05283	0.5
216.06291	0.7
245.22690	0.6
263.23706	0.9
294.09705	0.2
306.24286	0.3
306.27881	9.5
337.27341	100.0
338.27673	3.0
460.27982	0.3
478.28772	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.118
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03935	0.9
55.01868	0.6
57.03422	1.0
61.02910	1.6
69.03434	3.7
69.37579	0.6
69.37987	2.3
71.05000	2.3
73.02898	0.6
78.83028	0.3
79.74961	0.3
81.03421	1.6
85.02901	10.7
91.03948	0.5
92.02629	1.0
93.03391	1.0
97.02896	3.3
99.04437	0.7
109.02869	1.3
121.02837	0.8
127.03922	1.9
129.05504	0.6
137.02336	0.3
139.03874	1.3
145.04951	1.8
148.02122	0.5
151.03893	0.9
153.01822	8.4
163.03915	0.3
165.01830	1.0
166.03268	0.3
177.05475	0.4
189.05371	0.4
201.05402	0.6
203.03429	0.7
217.05014	0.6
217.22757	0.3
218.05847	0.5
219.02942	0.3
228.04202	1.6
229.04982	3.4
231.02837	0.7
244.55315	0.4
245.04388	1.4
246.05318	1.8
256.03568	0.4
257.04471	2.4
260.03174	0.5
271.06039	0.3
273.03864	1.7
274.04712	4.1
284.03079	0.8
285.03922	3.8
301.03296	0.4
302.04202	12.4
317.06546	100.0
318.03683	0.4
318.06891	1.8
333.02063	0.4
333.06009	6.9
334.06418	0.4
383.56906	0.3
403.30844	0.3
405.49661	0.3
479.11710	1.2
479.19467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.0
56.96539	0.6
57.03421	1.5
57.07090	1.3
62.06090	3.0
67.05500	9.9
69.03425	0.8
69.07063	7.3
69.94179	0.5
70.18138	0.6
71.60357	1.2
79.05480	4.5
81.03411	1.2
81.07051	10.1
83.04982	0.8
83.08611	2.5
85.02899	0.7
85.05263	0.8
85.06514	0.6
86.06087	0.6
89.88676	0.6
91.05459	2.7
93.07046	4.5
95.04939	1.3
95.08600	5.7
97.10166	1.3
98.06044	8.5
98.98456	1.3
105.07021	2.3
107.08613	3.0
109.10146	3.0
112.07560	0.7
119.08595	1.3
121.10136	1.7
123.08073	0.8
123.11735	1.2
133.10152	1.0
138.09204	0.8
146.10448	0.7
149.13232	0.7
159.11789	0.8
161.13226	0.6
163.11148	0.9
182.15523	0.7
193.15955	0.6
196.17000	0.8
268.68271	0.6
272.50854	0.6
306.27890	100.0
307.28275	2.1
334.47107	0.9
337.27307	11.5
478.28931	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	478.2926
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03918	0.8
54.06693	0.6
54.51608	0.5
55.01836	1.1
55.05512	11.3
57.03439	2.8
57.07034	1.8
62.06087	28.9
65.03928	1.1
65.74651	0.6
66.50119	0.5
67.05503	27.1
69.07067	15.5
69.78220	3.3
71.04984	0.8
71.08607	1.2
79.05489	7.7
81.03375	0.5
81.07058	29.0
83.04961	0.9
83.08609	7.1
83.53764	0.5
85.05242	0.9
91.05479	4.7
93.07038	8.9
95.04952	1.0
95.08601	21.4
97.06487	1.7
97.10149	3.8
98.06051	5.5
98.98467	8.3
101.11420	0.6
105.07021	4.1
107.08595	5.6
109.06486	0.7
109.10143	8.0
110.09649	0.5
111.08073	0.7
112.07613	0.9
113.09521	0.5
119.08579	3.9
121.10111	5.1
123.11740	3.6
124.01594	1.9
131.08530	0.9
133.10068	2.6
135.11641	2.3
137.13206	1.5
140.10632	0.6
142.02589	1.4
147.11659	1.9
149.13223	1.6
151.14816	0.7
155.01035	5.7
159.11612	0.7
161.13235	1.6
163.14767	0.6
165.16306	0.7
168.19139	0.7
173.02054	2.4
175.14778	1.3
195.68338	0.6
196.16966	0.8
198.05231	1.7
216.06308	4.2
222.78433	0.7
245.22644	2.5
262.23242	0.6
263.23651	6.3
306.27896	79.3
307.28284	1.1
319.26437	1.2
337.27356	100.0
338.27661	1.6
417.23917	2.5
460.28250	8.1
478.29150	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	477.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	1.2
53.03936	5.6
55.01659	1.2
55.01869	13.1
55.05508	54.8
57.03430	13.0
57.07070	2.0
59.05004	1.8
65.03944	3.1
67.05500	58.4
69.03426	8.5
69.07066	19.1
69.40196	4.9
69.40634	7.2
71.04984	6.2
73.02913	1.6
77.03907	1.5
79.05486	67.6
81.03410	64.2
81.07049	57.5
83.04981	13.7
83.08613	35.7
85.02898	8.1
85.06563	3.0
91.05473	58.9
93.07036	41.7
95.04961	36.1
95.08600	27.4
97.02908	3.0
97.06519	7.9
97.10162	43.2
99.04504	1.4
103.05469	3.5
105.07018	36.1
107.04945	33.7
107.08591	29.9
109.02863	2.3
109.06509	11.8
109.08475	1.1
109.10149	17.6
109.26195	1.1
111.04409	1.7
111.08054	8.9
113.05997	2.1
115.05441	4.3
117.07015	19.4
119.04961	3.7
119.07787	2.4
119.08575	27.3
121.06493	29.7
121.10132	14.1
123.04415	3.1
123.08058	12.5
123.11703	9.3
125.06011	2.9
125.09621	30.9
128.06219	3.6
129.07002	22.9
131.04919	4.5
131.08577	21.4
133.06482	12.7
133.10110	19.2
135.04460	1.6
135.08057	11.2
135.11708	5.4
137.02534	1.2
137.06006	3.0
137.09598	5.1
139.07600	2.1
141.07001	4.5
142.07768	2.5
143.08569	10.3
143.10625	2.0
145.06468	18.8
145.10092	11.8
147.04373	3.8
147.08023	10.9
147.11671	14.2
149.05975	2.0
149.09584	8.2
149.13240	2.5
151.07538	41.4
151.11252	1.6
153.01794	2.2
153.09082	7.4
153.12752	1.3
155.08565	5.4
156.75327	1.2
157.06493	4.4
157.10114	15.9
159.08087	4.9
159.11687	4.4
161.06035	2.9
161.09642	4.6
163.11180	7.5
165.09084	6.2
165.12689	3.0
166.09387	1.7
167.08591	3.0
169.10132	4.7
171.08067	5.1
171.11639	8.7
173.09596	4.3
173.13286	3.3
175.07550	1.4
175.11186	12.9
177.09129	1.3
177.12871	1.6
178.03606	1.2
179.08716	1.8
181.10139	3.7
183.11696	3.3
185.09705	3.6
185.13260	4.0
187.11244	3.4
187.14828	3.2
189.09369	2.0
189.11221	20.0
189.12798	5.7
191.10558	3.6
193.12231	42.2
195.11723	3.9
195.13733	1.6
197.09622	3.0
197.13232	6.3
199.11195	5.1
203.14339	2.3
205.12122	2.2
209.13295	2.0
211.11308	3.2
211.13306	15.6
213.12752	3.8
215.14264	6.1
217.12262	3.5
223.11192	1.6
223.13179	2.2
224.11890	1.2
225.12762	2.2
227.12675	18.9
231.13725	2.9
233.15384	16.2
235.13280	2.9
237.12732	3.2
239.14287	1.3
241.12253	1.4
241.14389	4.3
243.13623	1.3
245.15521	2.2
247.13409	1.6
249.14882	4.9
255.13893	4.3
257.15515	1.6
259.13321	2.4
263.16495	1.6
267.15906	38.8
271.17200	1.6
273.14853	15.2
275.16699	1.5
291.15918	3.4
293.24905	1.6
315.19565	1.7
321.22144	2.9
339.23148	6.2
341.20975	3.2
349.21628	15.0
357.24298	9.6
367.22659	41.1
375.25482	2.0
385.23703	79.4
386.24197	1.9
403.24805	25.3
403.29755	2.3
405.24326	1.8
415.24860	2.0
423.25226	2.5
429.95773	1.4
433.25824	7.6
441.26065	9.3
459.27371	100.0
460.27814	3.6
477.28500	92.6
478.28812	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2845
Annotation	Hongdoushan B
Peak:m/z	Relative Intensity
55.01867	8.8
55.05266	2.6
55.05511	41.8
55.62587	2.0
57.03425	9.1
65.03933	2.7
67.05167	3.3
67.05502	43.7
69.03430	5.7
69.07061	12.4
71.04978	3.4
71.05908	2.6
71.45136	2.0
79.05055	3.7
79.05492	50.5
81.03413	41.6
81.07055	39.7
83.04971	10.6
83.08612	23.2
85.06528	3.3
91.05477	39.4
93.07052	25.6
95.04970	25.6
95.08609	17.3
97.02868	3.1
97.06510	2.7
97.10163	31.7
105.07033	24.9
107.04936	22.9
107.08588	25.5
109.06489	9.9
109.10142	12.7
111.04457	3.6
111.08090	7.6
115.05490	3.3
116.33500	1.8
117.07032	12.0
119.04948	3.6
119.08576	20.2
121.06503	28.5
121.10129	10.7
123.04381	2.9
123.08061	7.7
125.09634	31.3
128.06261	2.6
129.07010	18.0
131.04910	5.9
131.08554	16.9
133.06491	11.3
133.10127	8.4
135.08040	7.6
135.11742	2.8
139.07518	2.3
141.06982	4.8
142.07773	2.9
143.08569	7.6
145.06467	20.1
145.10136	9.9
147.08058	6.7
147.11690	10.2
149.09593	8.2
153.07124	2.3
153.09135	7.3
155.08582	4.2
157.06451	2.5
157.10117	13.2
159.08102	5.6
159.11693	2.8
161.05984	3.8
161.09627	4.1
163.11176	5.0
165.12714	2.9
169.10114	6.4
171.08051	5.6
171.11711	5.5
173.09654	3.3
175.11198	7.6
181.10057	2.2
187.11288	4.5
189.11212	21.0
189.12749	4.1
193.12242	24.3
195.11696	2.3
197.09483	2.5
197.13254	3.8
199.11186	4.3
205.12253	3.1
209.13358	2.6
211.11218	3.0
211.13120	3.8
213.12869	2.6
215.14323	2.4
225.12790	3.2
227.12715	27.3
227.14566	3.3
231.13802	4.4
233.15350	20.7
237.12553	2.6
245.15387	3.1
249.14903	3.5
255.13780	4.8
259.13348	2.5
267.15872	38.8
273.14880	10.2
277.21863	2.2
311.16534	2.6
339.23141	5.6
341.20984	6.7
347.08130	2.3
349.21484	13.9
357.24301	7.7
362.92932	2.2
367.22702	37.8
385.23727	52.2
386.24246	2.6
401.50812	2.1
403.24789	26.1
415.24548	4.8
433.25711	14.9
441.26245	6.5
459.27399	100.0
460.27856	4.1
477.28461	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	477.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.6
57.03418	1.7
59.06164	0.7
65.03895	0.7
67.05489	1.7
69.03407	1.5
70.89810	2.3
71.04984	10.3
73.02899	5.9
79.05482	1.6
79.38324	0.7
81.07024	1.3
84.37077	0.8
85.02419	1.4
85.02899	17.2
87.04463	1.7
91.05465	5.4
93.07027	0.8
94.04179	3.3
95.04949	1.1
98.04576	0.7
99.04447	1.6
103.05470	2.2
105.07021	2.2
107.04942	2.9
109.06536	0.9
115.05463	3.0
117.05457	0.8
117.07008	2.8
119.04909	4.0
119.08543	1.0
121.06470	2.0
122.03642	5.9
123.04463	1.3
123.08049	1.7
128.06195	1.8
129.05476	3.4
129.06987	3.4
131.04916	4.1
131.08551	1.9
133.06458	0.8
135.08018	2.0
136.54282	0.7
137.05966	100.0
138.06320	0.9
141.06973	1.2
143.04929	4.9
143.08546	1.8
145.06499	2.9
146.07262	0.7
147.04387	2.9
147.08025	1.3
149.06000	1.8
149.09647	1.1
151.03944	0.9
151.07526	30.4
152.06172	0.9
153.01825	3.2
153.07021	1.1
155.08565	2.2
157.06462	3.4
159.08055	1.7
160.05171	2.5
161.05995	6.8
161.09619	1.0
163.07510	7.3
165.07016	2.0
165.09116	1.9
167.06996	0.7
167.08519	1.7
171.08051	5.4
173.05957	1.0
173.09619	0.9
174.06744	2.1
175.07521	27.0
177.05467	9.7
177.09071	5.3
179.07050	2.6
181.06438	1.6
183.08037	3.1
185.05942	1.1
187.07465	5.2
188.08307	0.8
189.05482	1.8
189.07318	1.1
189.09079	9.7
191.07040	4.0
193.08661	1.2
195.08109	3.2
195.10161	15.5
197.06050	0.9
197.09659	0.9
199.07550	2.0
201.09140	3.8
203.06915	3.6
203.10638	5.0
205.08525	1.7
207.10081	1.5
211.07605	2.0
213.09116	2.4
215.07014	1.4
215.10623	1.2
217.08563	3.2
219.08116	1.7
219.09996	5.1
221.05891	0.8
221.09656	1.2
223.07573	2.1
225.09160	1.8
227.10701	3.6
229.08441	1.6
231.10098	1.6
233.06100	0.8
233.11713	2.0
234.06686	1.2
235.07457	1.4
235.09616	1.4
236.08232	1.0
240.07693	1.0
241.08487	1.2
245.09543	1.4
247.07477	1.2
248.08383	1.0
249.08984	1.4
249.11212	1.6
253.08557	1.8
253.12181	2.0
255.10139	3.9
261.08905	1.4
261.11249	2.8
265.08527	1.9
266.09381	1.0
267.10324	0.8
269.07968	1.1
273.08923	1.3
273.11551	1.3
274.09811	1.9
275.07449	0.9
275.10355	1.3
276.07791	1.1
277.08572	3.3
281.11499	0.9
285.11383	2.1
287.12814	6.7
290.09460	1.1
291.10278	2.8
292.10751	0.9
293.08014	1.4
293.11597	1.2
297.11206	2.1
299.12863	2.6
303.09836	1.0
305.08624	1.0
305.11484	3.9
307.09671	1.0
308.10471	1.7
309.11154	3.7
311.12677	4.8
313.14362	4.7
315.08810	0.9
317.11319	4.6
319.09796	1.1
321.11127	4.9
323.12726	3.5
325.14264	1.4
329.14044	1.5
331.15833	4.5
335.12628	6.1
337.14169	3.8
339.15942	1.0
341.13879	2.1
343.15488	5.3
349.14313	3.9
353.13818	1.1
355.15402	5.4
357.16766	3.7
365.13986	1.5
367.15372	15.2
379.15292	2.5
385.16281	3.7
397.16165	1.5
405.16959	2.2
423.17929	4.7
441.18985	1.6
459.20154	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.3
55.02000	0.2
55.05392	0.7
55.05678	0.4
57.03311	0.8
57.03616	0.5
67.05366	1.1
67.05753	0.3
69.03289	1.0
69.03716	0.4
69.06968	0.4
69.30454	0.5
69.30849	2.2
71.04896	0.2
73.02772	1.2
79.05346	1.1
81.03265	1.3
81.03780	0.5
81.06895	1.2
83.08452	0.6
83.08936	0.2
85.02758	0.6
85.03231	0.2
91.05327	0.8
93.06887	1.0
95.04799	0.9
95.08447	0.8
97.02721	0.9
97.10013	0.7
97.26245	0.2
98.20716	0.3
105.06860	0.8
107.04771	0.9
107.08465	0.5
109.06365	0.3
109.10007	0.6
111.04301	0.2
115.03754	0.8
115.05296	0.3
117.06892	0.4
119.04784	0.3
119.08430	0.7
121.06305	0.8
121.09990	0.5
123.07892	0.4
125.09439	0.7
127.03777	0.2
129.06888	0.5
129.93344	0.2
131.04826	0.3
131.08365	0.7
133.06320	0.4
133.09969	0.5
135.07838	0.4
135.11577	0.3
145.06325	0.6
145.09985	0.3
147.04276	0.4
147.07970	0.4
147.11511	0.6
147.75812	0.2
148.11884	0.3
149.09531	0.2
153.01645	0.8
157.09947	0.3
159.11554	0.2
161.09416	0.4
163.10962	0.3
165.09026	0.3
169.10001	0.4
171.07938	0.3
171.11552	0.3
173.05888	0.2
175.11049	0.3
183.11612	0.2
184.86043	0.2
187.03738	0.6
189.11055	0.7
193.12144	0.5
199.03751	0.5
201.05275	0.8
203.03218	0.4
204.60533	0.2
213.01573	0.2
213.05350	0.2
214.02405	0.6
215.03256	0.6
227.12621	0.6
228.04076	0.3
229.04846	0.9
231.02985	1.0
233.15233	0.5
241.01117	0.7
242.02145	1.1
243.02705	0.7
246.05107	0.3
256.03552	0.6
257.04453	0.3
259.02380	2.1
267.15848	1.1
269.00787	1.0
270.01520	1.5
271.02386	1.3
273.00146	0.3
274.04581	0.7
284.03122	0.3
285.03873	5.0
286.01141	0.3
286.04395	0.4
287.01831	4.5
289.03366	0.3
297.00272	0.5
299.01831	7.3
299.99042	0.3
300.02222	0.2
301.03281	1.1
302.04312	0.4
312.02625	0.5
313.03381	12.7
314.04147	12.8
315.01303	8.2
315.04401	0.3
315.19513	0.4
316.01849	0.3
329.02930	1.2
330.03656	19.7
331.04074	0.4
345.06009	100.0
346.06393	1.6
349.21680	0.3
360.30185	0.2
367.22449	1.0
385.23590	1.8
399.07034	0.2
403.24997	0.5
433.25858	0.6
441.26428	0.3
459.27402	2.4
477.10471	1.5
477.24561	1.2
477.30371	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	476.277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27325	0.6
53.03923	0.9
53.59426	0.6
55.05300	0.7
55.05511	6.7
57.03431	3.6
62.06085	34.2
65.03924	0.8
67.05501	22.8
69.07064	8.0
70.20191	1.9
71.08643	0.8
79.05486	16.4
80.06216	0.6
81.06574	1.1
81.07051	22.0
83.04942	0.7
83.08607	2.5
85.06506	0.7
85.86012	0.6
91.05479	8.6
93.07040	16.9
95.04953	1.6
95.08598	16.5
97.06552	0.7
97.10153	1.6
98.06056	1.1
98.98458	8.6
103.59757	0.7
105.07030	5.3
107.08592	8.2
109.06503	0.9
109.10143	6.0
111.08060	0.8
116.50674	0.6
117.07010	1.4
119.08565	4.5
121.10142	6.7
123.08025	0.8
123.11698	1.6
124.01589	2.0
127.88754	0.5
131.08557	2.4
131.09492	0.6
132.57919	0.7
133.10121	3.4
135.11667	4.4
142.02621	1.9
143.08450	0.6
145.10088	1.9
147.11665	2.3
149.13232	2.4
155.01028	2.8
159.11668	0.8
161.13219	2.5
163.14816	1.8
173.02121	3.0
173.13237	1.5
175.14801	1.1
185.13269	0.7
187.14792	0.8
198.05284	1.9
216.06310	3.9
242.80782	0.8
243.21100	2.4
261.22092	6.3
304.26312	9.6
317.24661	1.5
335.25778	100.0
336.26169	1.8
415.22446	2.0
434.26648	0.6
458.26639	6.9
476.27438	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	476.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.8
55.01866	0.6
55.05262	0.4
55.05507	6.4
57.03436	7.1
57.07068	0.4
60.32896	0.3
62.06068	0.4
65.03919	1.2
67.05499	26.1
67.27023	0.2
69.03415	0.4
69.06721	0.4
69.07066	6.7
70.66704	0.8
79.05487	13.8
81.07052	22.4
82.12516	0.3
83.04958	0.6
83.08600	2.7
85.06532	0.5
87.62238	0.3
91.05473	6.4
93.07040	15.9
95.04963	1.5
95.08600	19.1
97.06509	1.0
97.10154	1.1
98.06029	0.5
98.98514	0.3
105.04549	0.4
105.07025	3.5
107.08586	6.1
109.06516	0.7
109.10149	6.8
111.08066	0.5
117.07032	1.3
119.08562	2.8
121.10143	5.6
123.08008	0.5
123.11679	1.9
124.01579	0.5
131.08589	2.0
133.10085	1.8
135.11681	2.6
137.13208	0.4
145.10097	1.3
147.11673	1.1
149.13242	1.4
159.11662	0.8
161.13246	0.8
173.13293	0.6
216.06357	0.6
236.16460	0.3
261.22168	0.9
304.26343	3.7
311.53433	0.3
335.25769	100.0
336.26160	2.0
371.30823	0.3
426.79523	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
53.35622	0.5
55.01860	1.0
56.96550	1.4
57.03432	0.8
58.88632	0.5
61.01162	0.9
61.02925	1.2
63.06940	0.4
69.03429	7.7
69.68737	3.8
71.05017	0.6
73.02912	0.8
81.03419	2.1
84.96036	0.5
85.02906	6.3
87.02689	0.5
87.04437	0.9
91.03970	0.5
97.02888	100.0
98.03195	0.8
98.21423	1.1
98.97578	3.5
99.04457	0.7
100.80539	0.5
109.02884	1.4
111.04465	0.5
113.02325	0.6
116.98592	2.9
118.65713	0.5
123.04417	0.7
127.03949	2.4
128.98627	1.2
134.99634	2.0
136.06181	83.8
137.04649	0.5
137.05936	0.8
139.03897	1.0
142.71985	0.5
143.01595	3.3
144.98207	0.5
145.04933	1.0
146.99619	1.8
147.04434	2.4
151.95351	0.5
153.00677	0.8
153.01831	6.5
158.99622	0.8
161.01303	0.8
161.02673	6.5
162.07813	0.9
163.03925	0.6
164.05681	4.9
173.05840	0.5
177.00714	1.4
178.07239	2.7
179.03708	4.0
189.00786	0.6
201.00529	0.8
218.01392	0.6
219.01741	1.6
231.91069	0.5
237.02852	5.7
238.03168	0.8
239.01950	0.5
248.07796	1.4
257.04596	0.6
277.03290	0.6
278.07016	2.5
284.04526	0.9
296.08115	3.2
302.05444	2.6
314.09164	17.2
416.09232	1.0
434.10345	1.1
458.13477	3.6
476.14459	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	475.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.3
55.05512	10.9
57.03431	17.9
57.07071	40.6
61.02923	49.1
67.05500	24.6
69.03432	25.4
69.07063	14.5
71.01346	5.3
71.04984	6.8
71.08630	30.2
71.60510	2.2
73.02913	23.5
75.04467	1.9
79.05492	6.1
81.03416	14.3
81.07053	28.0
83.01357	2.3
83.04980	3.0
83.08604	16.1
85.02901	49.6
85.10175	21.9
87.04443	4.3
87.26899	1.8
87.49500	2.1
91.03954	30.0
91.05469	5.9
93.07029	8.4
95.04974	4.3
95.08044	3.1
95.08603	33.2
97.02887	43.4
97.10159	8.3
99.04449	7.8
99.08013	2.0
101.02370	11.9
103.03915	8.7
105.07027	7.0
107.08584	8.0
109.02885	9.7
109.06504	3.1
109.10151	20.8
111.11734	2.6
115.03897	5.1
117.05480	2.7
119.08559	7.6
121.10131	7.7
123.08045	3.0
123.11692	9.9
125.13305	3.1
127.03939	20.1
129.05479	3.9
133.10118	6.2
135.11679	4.6
137.13249	4.1
145.04912	10.1
145.10104	4.7
147.08069	2.0
147.11694	4.5
149.13216	2.4
151.14801	2.9
159.11600	2.9
161.13306	4.4
165.12831	2.2
171.11606	2.9
173.13364	2.3
183.06526	6.8
183.63148	1.9
201.07639	3.5
201.25833	2.4
239.23721	26.0
257.24847	2.3
313.27356	100.0
341.26871	3.6
439.35800	3.5
457.31439	12.2
475.32532	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	475.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17573	2.2
53.03932	4.5
55.01859	3.0
55.05510	22.6
57.03422	5.7
65.40985	2.3
67.05498	73.9
69.03403	4.7
69.07056	27.1
70.86103	2.1
71.04967	8.8
71.60431	2.8
73.06516	2.3
79.05489	74.5
81.03400	8.0
81.06582	3.7
81.07053	73.1
83.04978	13.3
83.08617	12.7
85.06531	21.5
91.05470	52.7
92.46540	2.5
93.06467	4.4
93.07034	70.0
95.04966	22.6
95.08595	38.3
97.06513	10.6
97.10162	4.0
99.08051	3.4
105.07027	33.0
105.69360	2.3
107.04931	5.5
107.08582	37.7
109.06530	6.8
109.10148	14.7
111.08058	14.9
117.06982	13.8
119.08553	23.6
121.06512	3.4
121.10126	20.2
123.08023	4.4
123.11661	7.7
129.07004	11.9
131.08556	10.8
133.10133	19.2
135.11697	12.7
143.08536	4.0
145.10126	8.0
147.11682	34.6
149.13246	21.9
157.10143	4.0
159.11679	10.0
161.09555	5.5
161.13249	11.0
171.11649	16.8
173.09599	2.8
173.13283	3.5
175.14847	3.7
177.12762	5.4
187.14705	3.0
189.12704	11.2
193.15944	2.7
195.13721	6.1
197.13252	2.4
207.13814	26.5
225.14883	6.0
251.16284	2.7
281.17404	3.1
299.31268	3.0
367.91833	2.6
372.66885	2.7
402.85382	2.5
457.28802	3.6
475.30542	100.0
476.30807	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	475.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53711	1.4
53.03933	5.2
55.01853	3.5
55.05265	1.9
55.05508	25.2
55.97586	1.2
57.03428	6.7
57.07074	2.5
65.03917	4.9
67.05499	84.8
69.03441	1.9
69.07063	24.3
70.87587	4.5
71.04975	5.7
79.05486	81.4
80.05816	1.7
81.03412	8.5
81.07050	86.2
83.04985	14.2
83.08607	14.4
85.02874	1.8
85.06541	7.0
91.05477	56.3
93.07035	84.5
94.07324	1.3
95.04962	25.0
95.08600	34.7
97.06521	11.0
97.10162	3.2
98.06019	3.7
99.08073	2.3
103.05467	1.6
105.07022	41.6
107.04927	6.5
107.08587	37.5
108.08932	1.6
109.06517	7.1
109.10140	10.3
111.08040	7.0
115.05487	1.3
115.69026	1.3
117.07018	14.3
119.08572	24.8
121.06509	3.5
121.10135	18.2
123.08047	5.7
123.11700	3.4
125.09584	1.7
125.58740	1.3
129.07002	14.8
131.08566	9.1
133.10120	16.7
135.08022	1.9
135.11655	8.7
139.07541	1.5
139.11172	1.8
143.08563	6.6
145.10100	9.3
147.08034	2.4
147.11658	28.6
149.13242	27.1
151.11119	1.7
153.09058	1.8
153.12668	1.7
156.09352	1.7
159.11665	12.3
161.09639	4.1
161.13283	11.8
163.11090	2.1
165.09152	2.1
171.11687	23.2
173.13272	2.4
175.11215	1.5
177.12762	6.4
179.14330	2.1
187.14769	2.0
189.12784	9.2
191.17940	1.7
195.13777	4.6
207.13789	32.1
225.14836	7.3
269.17252	1.6
304.26328	35.7
335.25818	7.3
350.24402	1.4
457.29398	2.3
475.30496	100.0
476.30923	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.9
55.01864	2.8
55.05504	19.5
57.03423	5.1
57.07064	2.4
58.06948	1.1
65.03926	2.6
67.05501	75.0
69.03411	1.4
69.06721	1.6
69.07063	20.3
70.61329	4.1
71.04974	5.9
73.06527	1.3
79.05489	72.2
80.05766	1.1
81.03409	7.9
81.07050	80.9
83.04975	13.6
83.08615	13.1
85.02888	1.5
85.06542	7.1
91.05475	53.7
93.07034	71.8
94.07349	1.5
95.04964	23.3
95.08603	28.9
97.06538	9.0
97.10154	3.0
98.06048	4.6
99.08057	3.0
103.05484	2.1
105.04506	2.5
105.07022	32.9
107.04950	5.0
107.08588	30.0
109.06487	6.3
109.10140	9.3
111.08086	7.9
113.09613	1.3
115.05459	1.7
117.07024	8.8
119.08575	21.0
121.06496	3.7
121.10121	14.1
123.08063	4.5
123.11701	3.7
125.09679	2.1
127.07569	1.8
128.06252	2.0
129.07005	10.5
131.08569	7.7
133.06534	1.4
133.10120	15.2
135.08040	2.8
135.11681	7.3
143.08556	6.4
145.10098	8.1
147.08049	2.4
147.11673	26.1
149.09616	1.3
149.12155	2.2
149.13254	21.6
157.10117	1.6
159.11678	11.3
161.09660	3.1
161.13243	8.8
163.11230	1.8
171.11668	20.4
173.13245	1.4
177.12744	4.1
189.12772	10.1
195.13768	5.6
207.13783	28.4
225.14809	3.6
244.60321	1.4
251.16422	1.6
281.17374	1.7
304.26337	29.5
318.23126	1.3
457.29468	1.7
475.30524	100.0
476.30869	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	475.2877
Annotation	Asn Thr Leu Lys
Peak:m/z	Relative Intensity
55.05506	0.5
57.07053	0.3
67.05500	1.7
68.16805	0.2
69.07062	1.0
69.77842	0.4
69.78246	1.5
79.05483	1.8
81.03397	0.8
81.07056	2.1
83.08615	0.4
85.06516	0.2
91.05482	1.3
93.07040	1.8
95.04943	0.8
95.08592	1.1
95.55862	0.2
97.06532	0.6
98.20800	0.3
103.76263	0.2
105.06982	0.7
105.46947	0.2
107.04927	0.3
107.08585	1.2
109.06537	0.4
109.10152	0.4
117.07006	0.5
119.08573	0.6
121.10101	0.6
123.08046	0.3
128.93373	0.2
129.07072	0.3
133.10062	0.4
135.07999	0.3
135.11723	0.4
143.08537	0.3
145.10133	0.4
147.11690	0.9
149.13272	0.3
151.07544	0.3
171.11722	0.4
189.09109	0.3
192.42639	0.3
193.12422	0.2
207.13741	0.3
307.98114	0.2
313.23465	6.0
410.41278	0.3
475.28741	100.0
476.28983	1.6
502.25415	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2689
Annotation	(+)-Lucidenic acid B
Peak:m/z	Relative Intensity
53.03934	2.4
55.01876	6.8
55.05260	1.7
55.05507	23.3
55.88775	1.0
57.03420	4.7
59.04999	1.5
60.21095	1.0
65.03932	2.2
67.05498	27.0
69.03417	3.6
69.07064	7.7
70.17498	5.2
71.04972	3.5
79.05487	23.4
81.03412	12.6
81.07046	23.1
83.04973	3.9
83.08611	11.4
85.02895	1.5
85.06509	1.6
91.05468	20.4
93.07042	16.5
95.04972	13.3
95.08595	15.4
97.02873	1.4
97.06543	2.0
97.10166	13.7
98.21391	1.2
103.05402	1.7
105.03434	1.2
105.07022	13.3
107.04947	12.1
107.08595	12.3
109.02887	5.5
109.06503	4.6
109.10144	13.1
111.04392	1.2
111.08119	2.7
115.05450	1.9
117.07015	9.3
119.04947	3.4
119.08575	11.0
121.02839	2.5
121.06496	7.2
121.10085	6.6
123.04420	3.9
123.08037	5.3
123.11702	2.9
125.02331	2.9
125.09610	12.1
127.03890	1.3
128.06207	2.0
129.06998	9.2
131.04929	6.0
131.08574	9.6
133.06474	7.0
133.10117	6.9
135.04410	2.2
135.08052	5.3
135.11697	5.3
137.05952	3.2
137.09616	3.7
137.13219	1.2
141.06993	4.4
143.08577	5.8
145.06480	8.9
145.10118	9.3
147.04398	4.8
147.08040	5.7
147.11681	3.8
149.06010	1.6
149.09608	4.4
149.13231	1.7
151.07596	1.3
153.01826	1.3
153.09085	1.3
155.08559	3.4
157.06477	3.7
157.10124	4.2
159.04344	1.4
159.08047	7.8
159.11690	3.0
160.05199	2.8
161.05954	21.1
161.09621	3.2
163.03937	1.2
163.07503	1.4
163.11176	7.7
165.06973	1.4
165.09093	1.8
167.08476	2.6
169.06522	2.5
169.10083	4.0
171.08037	3.0
171.11644	3.6
173.05971	4.4
173.09602	6.7
173.11778	2.7
173.13281	1.7
175.07547	3.1
175.11162	3.8
181.10103	2.2
183.11690	4.5
185.05922	1.7
185.09627	2.9
185.13205	2.5
187.07565	2.8
187.11220	1.6
189.09070	3.1
189.11214	4.1
189.12717	1.3
191.10640	2.9
193.04901	1.2
193.12204	3.5
195.11691	2.9
197.06081	1.3
197.09662	2.9
197.13202	1.7
199.11217	1.9
201.09187	1.3
201.12770	2.1
205.12357	2.0
207.11823	1.2
211.11180	4.4
211.14732	2.2
213.12775	1.8
215.10693	1.7
215.14339	1.2
223.11156	1.3
225.12759	3.5
226.25949	1.3
227.12723	2.6
229.12192	2.7
231.13750	4.8
235.11185	2.3
237.11145	2.2
243.13763	5.2
247.13345	2.6
255.13754	1.5
259.13300	2.0
261.14841	1.8
269.15375	4.0
271.13315	4.0
273.14771	3.2
285.15164	1.2
287.16342	2.6
289.14313	12.9
297.15283	1.3
299.16409	1.4
303.15869	1.2
327.23340	1.5
337.21588	3.5
347.20105	2.1
355.22705	6.4
365.21109	10.0
383.22125	64.8
384.22336	2.3
385.23636	1.4
393.24301	1.4
401.23203	24.7
419.24234	2.4
421.23712	4.6
431.24380	4.3
439.24805	9.3
457.25821	50.3
457.31863	2.1
458.26614	1.8
475.26849	100.0
476.26953	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.05510	2.7
57.07072	3.1
62.02659	0.3
63.47656	0.3
65.03937	0.8
67.05482	1.1
69.03413	1.0
69.07053	0.7
73.06554	0.5
79.05475	1.0
81.03403	0.9
81.07050	1.1
83.08621	0.3
85.02885	2.2
91.05467	0.7
93.07042	0.9
95.04940	0.7
95.08589	1.6
97.02859	0.6
98.21507	0.7
105.07032	0.6
107.04932	0.6
107.08582	1.2
109.06474	0.4
109.10133	0.7
110.80427	0.3
111.04430	0.3
119.08602	0.7
121.02878	2.4
121.10126	0.7
131.08575	0.4
133.10115	0.6
143.08611	0.3
149.02330	100.0
150.02710	1.5
153.01796	0.4
159.11632	0.5
160.62054	0.3
165.09106	0.6
167.03397	2.4
173.09579	0.3
176.47015	0.3
177.05296	0.4
190.05011	1.2
203.07005	0.4
205.08583	22.8
206.08910	0.5
221.08104	0.9
223.09680	0.4
277.14310	9.1
277.21317	0.3
289.14221	0.4
295.15430	1.0
343.50983	0.4
383.22314	0.6
475.26410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39213	5.7
51.52106	6.2
55.05510	9.9
55.52577	5.1
67.05487	13.6
69.07069	26.4
70.43495	7.2
70.43835	29.2
77.89170	6.0
81.07056	24.3
82.63199	6.5
83.08625	10.0
91.05515	6.6
93.07054	15.5
95.08606	60.0
96.08951	12.0
105.07052	21.4
107.08579	39.1
109.10154	42.5
110.10528	8.5
111.08030	6.1
111.11713	8.7
117.65511	6.5
119.08604	33.2
120.08849	10.4
121.10146	39.8
123.11713	21.5
133.10123	23.2
135.11687	15.5
145.10143	16.6
147.11687	21.3
148.11880	7.1
149.13248	9.4
159.11665	8.2
161.13245	13.4
163.14784	10.0
171.11713	9.9
173.13255	17.1
175.14893	12.0
177.16254	7.6
185.13315	9.6
187.14778	8.1
189.16377	12.4
191.17982	10.6
192.18369	8.4
199.14818	9.8
203.17885	46.0
217.19524	13.8
229.19313	9.4
235.16969	9.8
247.17044	7.9
271.24402	7.0
275.20154	7.3
403.33505	21.5
421.34723	56.3
438.34528	13.9
439.35825	61.9
456.35471	24.7
457.36853	100.0
474.36978	10.7
475.32806	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	473.3624
Annotation	Microfokienoxane C
Peak:m/z	Relative Intensity
53.39708	2.1
53.95965	2.2
54.19093	2.1
55.05499	5.2
58.68418	1.9
67.05496	9.2
69.03423	3.2
69.07073	16.9
70.74195	6.7
76.12011	2.1
79.05487	5.8
81.07051	18.9
83.08620	8.8
91.05474	7.6
93.07037	20.5
95.08604	39.6
97.10184	3.1
105.07004	13.3
107.08590	28.8
109.06536	2.3
109.10156	33.1
111.08073	3.5
111.77245	2.2
119.08572	17.0
121.10133	70.0
123.08051	6.7
123.11684	6.4
126.66528	2.4
126.69547	2.3
129.06857	2.6
131.08592	3.1
133.10109	13.3
135.08093	5.0
135.11679	23.3
137.09688	2.7
137.13275	5.0
143.08577	3.1
145.10107	7.2
147.11688	9.1
149.09586	7.0
149.13228	7.3
151.95502	1.9
157.10121	5.3
159.11662	6.4
161.09648	4.3
161.13274	4.7
163.11160	2.5
163.14781	4.3
168.57268	2.3
171.11636	4.7
172.95189	2.7
173.13274	11.0
173.37115	2.2
175.11200	2.4
177.09120	3.0
177.16328	3.1
183.11684	3.1
185.13260	8.1
187.14819	6.5
189.16414	3.5
190.96202	2.5
191.14270	6.5
191.17915	21.3
193.48991	2.5
197.13283	2.4
199.14726	3.1
201.12764	3.5
201.16344	6.3
203.14352	5.0
203.17944	5.1
205.19360	2.7
215.17702	3.4
217.15927	7.5
219.17424	100.0
223.14865	2.5
224.47832	2.1
255.17595	3.5
401.31897	6.2
419.33124	8.2
437.34155	59.0
455.35437	17.7
461.44983	2.7
473.19696	6.2
473.36508	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	473.3627
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
52.89180	2.1
52.93373	1.9
54.30313	1.9
55.05509	13.6
57.07079	5.4
67.05495	23.2
69.03421	5.0
69.07060	35.4
69.88749	13.2
70.95097	1.8
71.04989	5.5
71.08633	2.3
79.05486	13.4
81.07045	39.6
81.82576	2.3
83.08619	15.1
83.54752	2.0
87.04491	2.3
91.05462	10.4
93.07030	30.5
95.04985	5.9
95.08600	79.9
97.06532	6.0
97.10186	7.8
99.08081	3.5
100.39503	1.9
103.34081	1.9
103.72462	1.8
105.07027	31.2
107.08579	49.7
107.09260	3.3
109.06541	6.1
109.10140	66.6
111.08099	5.7
111.11747	7.1
113.06030	3.5
113.09660	2.4
117.07056	6.0
118.14361	2.2
119.08569	48.4
121.06483	3.9
121.10128	54.9
123.08084	7.2
123.11687	24.2
125.09625	3.9
128.06218	3.2
129.06973	3.0
131.08548	14.1
133.10117	43.8
135.08101	8.3
135.11681	26.1
137.09615	10.9
137.13246	14.7
139.07555	2.5
139.11183	4.3
142.07762	2.8
143.08568	8.7
144.09319	2.3
145.10089	22.1
147.08057	3.8
147.11673	29.8
149.09650	8.1
149.13251	15.2
151.11229	3.8
151.14888	1.9
156.09282	3.3
157.10097	19.6
157.12241	2.0
158.10962	4.9
159.08038	3.1
159.11667	27.2
159.12900	2.8
161.09636	8.4
161.13245	18.1
163.11163	2.9
163.14877	8.3
169.10194	3.2
170.11002	3.9
171.11690	18.1
173.09592	4.7
173.13255	28.6
175.11224	11.4
175.14818	16.1
177.12741	4.8
177.16328	12.7
179.14079	1.9
183.11755	7.1
184.12492	4.5
185.13235	18.5
187.11198	2.9
187.14830	15.3
189.12801	6.6
189.16379	23.5
191.14363	7.5
191.17924	34.4
193.10191	2.4
195.11674	2.3
197.13216	13.2
199.14743	10.3
201.12775	2.7
201.16441	6.1
203.14360	6.3
203.17947	36.4
205.12328	2.4
205.19440	3.8
207.11847	2.2
207.13770	4.1
207.17499	3.8
209.13336	4.7
211.14859	8.4
213.12862	2.1
213.16496	7.0
215.14404	7.1
215.18030	6.8
217.15981	8.1
217.19461	13.5
219.17410	20.3
221.15445	2.0
221.19060	6.0
223.14893	4.2
225.16432	4.8
227.14392	8.0
227.17984	3.8
229.15988	6.3
229.19545	5.2
231.21042	3.2
233.13297	2.6
233.15372	9.4
235.17090	6.4
237.16501	3.7
239.18044	2.5
245.15352	9.7
247.17062	5.5
251.16522	6.5
255.21126	2.5
257.22681	5.5
263.16473	5.4
269.22684	3.2
271.24289	4.2
273.18579	4.0
291.19687	5.9
299.23749	4.2
375.30667	2.2
377.32074	5.0
379.30280	2.5
391.34009	2.8
393.31610	7.1
401.32214	11.4
409.34631	2.5
419.33066	39.7
419.38333	2.7
437.34183	87.3
438.34372	3.2
455.35300	42.8
473.36432	100.0
474.36868	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3623
Annotation	3alpha,27-Dihydroxy-28,20beta-taraxastanolide
Peak:m/z	Relative Intensity
53.03924	1.6
55.05504	12.3
57.07066	4.4
65.03931	2.1
67.05502	17.3
69.03424	4.4
69.07064	30.2
71.04987	4.9
71.08614	1.5
79.05481	11.3
81.07050	32.4
83.04979	2.0
83.08621	10.8
84.73057	1.1
85.06541	2.3
91.05474	10.2
93.07037	23.2
95.04958	4.7
95.08601	73.1
97.06533	5.0
97.10174	5.7
99.08105	1.1
105.07024	29.6
107.07916	0.7
107.08587	44.1
109.06524	4.3
109.10147	65.1
111.08084	7.9
111.11713	8.2
113.05982	4.7
113.09625	1.8
117.07009	3.2
119.08575	42.7
121.06512	3.6
121.10135	55.5
123.08085	6.2
123.11700	21.9
125.06020	1.4
125.09634	3.5
129.07053	1.9
131.08557	11.8
133.10120	42.0
135.08060	6.4
135.11678	19.1
137.09621	13.9
137.13243	9.0
139.11171	4.2
142.07755	2.1
143.08534	6.8
144.09369	2.6
145.10118	18.7
147.08054	3.2
147.11676	26.5
149.09605	9.3
149.13264	9.8
151.07616	1.4
151.11203	1.5
151.14871	1.5
155.08504	2.3
156.09331	5.5
157.10110	14.8
158.10939	3.6
159.08052	2.6
159.11685	23.8
161.09599	8.0
161.13229	19.3
163.11208	4.9
163.14825	8.0
165.09114	1.4
167.08632	1.5
167.10637	2.3
169.10138	4.8
170.10849	7.9
171.11707	14.0
172.12442	1.8
173.09692	3.8
173.13261	26.9
174.02602	1.2
174.14005	1.6
175.11171	10.0
175.14815	11.4
177.12770	4.6
177.16360	12.0
179.08595	1.2
179.10614	2.0
179.17979	1.8
181.10153	2.2
182.10896	1.7
183.11703	5.3
184.12462	2.7
185.09631	1.8
185.13235	16.2
187.11217	3.1
187.14810	13.6
189.12726	8.1
189.16382	23.0
191.14323	7.2
191.17932	30.2
193.15901	1.4
193.19600	2.2
195.11792	2.1
197.13219	12.4
199.11320	1.4
199.14783	9.3
201.12801	4.6
201.16382	6.3
203.14359	6.8
203.17938	31.9
203.19739	2.2
204.18436	1.2
205.12181	1.8
205.15910	2.1
205.19574	2.5
207.11888	1.7
207.13861	4.3
207.17493	4.4
209.13321	4.8
211.14861	6.3
213.12799	3.4
213.16362	5.7
215.14389	7.8
215.17911	6.5
217.15915	7.7
217.19492	12.8
219.13924	2.5
219.17412	20.9
221.19017	4.7
223.15062	2.2
225.12730	1.2
225.16438	3.3
227.14357	4.7
227.18060	2.9
229.15886	4.7
229.19559	5.3
231.13863	1.7
231.17496	2.5
231.21205	1.9
233.15318	10.6
233.41573	1.3
235.17007	4.2
237.16438	2.5
239.18013	3.0
241.15961	2.9
241.19513	2.3
242.53517	1.3
243.17462	2.2
243.20898	1.2
245.15390	8.6
245.19057	2.1
247.16962	2.3
251.16130	6.0
253.19557	1.4
255.17465	3.6
255.20979	2.6
257.22690	7.9
259.16940	2.6
263.16263	6.3
267.21463	1.4
269.22650	2.5
271.24225	4.4
273.18613	3.1
277.18021	3.9
281.22552	2.9
283.20349	1.4
289.25232	1.7
291.19669	4.2
299.23682	3.3
309.21951	1.9
313.21213	1.4
327.23322	3.1
351.30493	1.5
361.28851	2.4
375.30453	2.0
376.31168	1.8
377.32056	4.3
379.30078	2.9
391.33691	1.9
393.31516	7.7
401.31750	9.0
409.34833	1.8
419.33057	36.1
427.35895	1.4
437.34131	90.9
438.34619	3.1
455.35214	36.0
455.41568	2.5
473.36261	100.0
474.36389	3.6
491.37308	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	473.3623
Annotation	3alpha,27-Dihydroxy-28,20beta-taraxastanolide
Peak:m/z	Relative Intensity
50.10836	1.8
53.03915	1.5
55.05510	11.9
57.07070	2.8
57.46008	1.6
61.20975	1.7
65.03935	2.9
67.05505	21.8
69.03419	4.9
69.07058	32.5
69.29728	14.1
69.30152	5.7
71.04980	1.7
75.42966	1.6
79.05478	10.1
79.63815	1.5
81.07048	37.2
83.08621	11.0
91.05495	9.7
93.07055	22.0
95.04946	3.9
95.08603	75.4
97.06506	2.6
97.10166	4.7
105.07024	24.2
107.08586	46.4
109.06544	2.5
109.10152	65.1
111.08062	5.6
111.11709	8.6
117.07002	3.2
119.08571	39.5
121.06516	3.4
121.10133	52.5
123.08051	6.4
123.11680	24.3
125.05977	2.6
126.69469	1.8
131.08583	11.9
133.10136	35.3
135.07997	3.4
135.11711	19.6
135.86771	1.5
137.09584	12.3
137.13312	8.3
139.11165	2.7
143.08556	8.1
145.10133	25.2
146.10805	2.1
147.11682	31.3
149.09592	5.2
149.13251	12.1
151.11174	3.0
151.14827	2.3
155.08546	3.9
155.10674	3.0
156.09354	5.3
157.10135	14.2
158.10933	4.9
159.08012	2.1
159.11685	27.9
161.09593	2.1
161.13248	22.9
163.11179	6.3
163.14815	7.7
167.10640	2.6
169.10120	6.9
169.50075	1.7
170.10884	5.2
171.11694	12.0
173.09578	2.8
173.13264	32.1
175.11137	5.3
175.14766	13.4
177.12762	2.4
177.16371	12.8
182.10910	2.0
183.11655	7.0
184.12436	2.8
185.13196	16.0
187.11095	3.8
187.14825	19.9
189.12747	7.4
189.16362	14.2
191.14337	4.8
191.17938	27.9
191.27180	1.7
195.11873	2.8
197.13243	13.0
199.11310	2.0
199.14796	9.5
201.12666	3.5
201.16356	7.3
203.14299	8.8
203.17952	59.1
205.15816	3.5
205.19484	2.8
205.40738	1.9
207.13768	6.2
207.17392	2.6
209.13199	6.8
211.14761	9.2
213.16376	6.2
215.14362	11.6
215.17896	11.2
217.15950	4.8
217.19493	17.4
219.17436	5.1
221.15385	2.1
221.18991	3.9
223.14799	4.3
225.16437	3.3
227.14394	4.6
227.17955	3.6
229.15921	9.3
229.19493	7.7
231.13710	2.5
231.17505	3.0
231.21063	4.1
233.15315	11.5
237.16493	2.4
239.17967	3.3
241.15892	4.0
243.21080	2.5
245.15334	7.1
247.16922	6.1
251.16287	11.3
255.17421	3.4
255.21053	4.9
257.22632	14.0
259.16953	3.6
263.16232	9.3
269.22641	4.2
271.24228	3.4
273.18430	7.4
277.17920	2.9
279.21045	2.3
281.22739	3.3
283.24002	2.2
291.19507	4.0
299.23627	2.7
305.22781	2.6
324.60138	1.9
327.23123	3.7
333.25488	2.0
335.27240	2.0
348.33035	1.9
375.30215	3.1
377.32089	2.2
393.31271	8.2
395.33035	2.9
401.31918	15.8
409.34497	2.4
419.33105	59.8
437.34161	100.0
438.34500	2.5
455.29062	2.8
455.35233	52.0
473.36368	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	473.3627
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
55.05502	10.3
57.07059	6.3
60.09729	2.2
67.05498	24.5
69.03419	2.7
69.07061	33.3
71.01340	5.3
71.04997	11.1
71.62083	3.7
71.62428	2.9
79.05495	13.6
81.07053	54.2
83.04965	3.7
83.08606	14.2
85.06523	4.0
89.02367	5.6
91.05470	8.8
93.07038	30.0
95.04956	4.4
95.08603	100.0
97.06519	2.8
97.10168	6.0
101.24442	2.5
105.07032	26.2
107.08589	57.8
109.06506	5.3
109.10152	69.9
111.08058	11.0
111.11720	17.0
113.05995	5.1
114.58948	2.5
118.05599	2.7
119.08575	44.6
121.10136	73.8
123.08072	6.2
123.11707	33.1
125.09624	7.9
129.07039	2.8
131.07036	4.6
131.08537	9.3
133.10124	43.7
135.08051	5.5
135.11691	29.5
137.09608	9.4
137.13231	18.5
139.07458	2.5
143.08533	4.2
145.10110	13.0
147.11682	22.1
149.09644	2.9
149.13223	22.2
151.07568	3.2
151.11079	2.5
153.09169	2.9
156.09326	2.6
157.10146	8.0
159.11700	18.9
161.13266	19.6
163.14850	18.6
165.09148	2.3
165.12784	3.2
171.10158	10.5
171.11676	7.0
173.13255	23.3
175.11209	4.3
175.14793	8.4
177.16386	12.8
183.10104	4.1
185.13248	8.9
187.14787	15.0
189.16385	9.8
191.14275	4.2
191.17957	11.9
193.12260	5.3
199.14873	3.3
201.16389	5.6
203.17889	13.7
205.15793	3.4
205.19502	16.2
207.13727	3.2
213.16379	3.9
215.17931	6.9
217.19505	21.7
219.13799	3.8
219.21086	8.8
229.19487	11.0
231.13647	5.7
231.21078	7.5
233.15314	5.3
237.14828	2.7
241.19455	3.7
243.21106	5.0
245.22554	8.8
247.20491	3.0
249.14760	3.4
251.16461	9.3
255.21031	5.4
263.16443	5.9
269.22610	4.4
281.17471	3.8
311.27237	5.1
323.27271	7.4
325.28946	19.7
367.33636	4.4
385.26956	2.8
391.33609	3.4
395.33200	12.8
413.33945	7.2
419.33310	3.0
437.34283	16.8
455.35208	96.7
473.36215	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	473.3625
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
55.05505	9.5
57.07064	3.4
67.05503	19.0
69.03438	3.2
69.07066	35.4
69.35656	21.0
71.01327	4.4
71.04981	13.7
79.05477	11.1
81.07052	57.1
83.08611	14.6
85.06542	4.1
89.02375	4.0
91.05454	7.7
93.07031	29.5
95.08603	99.7
97.06513	4.4
97.10160	6.5
105.07018	28.6
107.07858	4.0
107.08586	61.8
109.06501	6.9
109.10150	68.5
111.08067	11.7
111.11713	19.0
113.05979	7.1
117.07009	4.2
119.08571	46.0
121.10136	68.9
123.08118	3.2
123.11691	42.4
125.09610	5.9
129.06953	2.2
131.07022	9.9
131.08537	8.5
133.10123	46.8
135.08003	6.2
135.11696	28.6
137.09612	8.1
137.13232	23.1
143.08551	3.5
145.10141	17.0
147.11673	22.0
149.13277	19.6
151.11168	2.6
151.14784	2.7
153.09071	3.8
156.09340	3.0
157.10121	10.3
159.11671	18.4
161.13251	20.2
163.14822	13.7
165.12753	2.8
171.10164	10.8
171.11670	12.9
173.13295	22.6
175.11308	2.6
175.14801	17.5
177.16368	9.7
183.10219	5.6
185.13194	12.3
187.14850	16.6
189.12704	4.7
189.16331	8.2
191.14275	5.3
191.17941	16.6
193.12212	5.6
197.11685	2.3
197.13367	3.3
199.14816	6.7
201.16388	7.9
203.14238	2.3
203.17946	14.0
205.19499	18.0
213.16457	4.8
215.17920	10.1
217.15961	2.8
217.19479	25.4
219.21062	7.1
221.15508	2.2
227.17996	3.4
229.19490	12.8
231.21042	6.7
233.15344	8.1
237.14790	3.9
241.19543	3.6
243.21262	3.3
245.15331	5.2
245.22617	6.1
249.14828	3.8
251.16388	13.6
255.21109	7.4
257.22729	4.2
263.16513	4.8
267.20917	2.6
269.22580	6.2
281.17188	2.7
295.24445	3.2
300.59357	2.2
309.25751	3.5
311.27277	6.9
323.27319	7.9
325.28903	25.7
345.23816	2.5
367.33624	7.3
377.31934	3.1
385.34555	3.1
395.33127	35.2
413.34082	5.9
437.34210	21.4
455.35181	100.0
456.35489	4.5
460.20914	2.3
473.36487	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	473.3624
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
50.94137	2.7
55.05507	12.8
57.07067	7.2
67.05222	3.0
67.05506	30.0
69.07070	23.0
69.34247	11.8
69.34669	13.0
71.04978	4.3
73.06522	2.3
73.86382	2.4
74.62659	2.4
79.05482	18.0
81.07053	64.8
83.08613	11.4
85.06470	4.0
89.02420	3.4
89.06103	2.4
91.05459	13.1
93.07045	34.1
95.04965	6.4
95.08606	100.0
95.95877	2.6
97.06541	6.3
97.10140	11.5
98.21476	4.0
99.08087	4.8
105.07021	36.8
107.08589	54.0
109.06525	5.8
109.10149	82.9
111.08067	6.0
111.11748	4.5
113.05979	3.3
117.02801	2.7
117.07010	4.7
119.07802	3.4
119.08580	47.8
121.09312	5.2
121.10142	69.1
123.08071	9.7
123.11701	45.3
125.09645	6.4
131.08549	10.2
133.10120	38.8
135.08035	5.8
135.11684	37.2
137.09578	11.9
137.13263	12.3
143.08575	2.8
145.10107	18.1
147.11679	29.1
149.09615	4.4
149.13243	23.9
151.11194	4.9
151.14784	10.0
153.09111	6.4
157.10141	5.4
159.11699	18.4
159.12811	2.9
161.09639	2.9
161.13271	22.4
163.11163	4.1
163.14824	26.2
165.09167	3.6
165.16365	4.9
171.11642	2.9
173.13231	15.7
175.11189	5.6
175.14807	26.6
177.16385	27.2
179.10657	3.3
181.12225	5.1
183.10149	15.3
185.13261	4.4
187.14813	19.2
189.16396	22.7
191.14268	3.6
191.17896	16.6
193.15898	8.6
199.14807	6.8
201.16365	15.8
203.14192	3.1
203.17958	28.8
205.15895	6.1
205.19508	7.3
207.13585	3.4
207.17381	4.7
213.16270	3.7
215.17946	16.0
217.19548	20.5
219.17459	5.7
221.15430	3.5
221.18959	5.5
229.19527	5.0
231.21034	4.2
233.19048	9.2
235.16927	9.1
235.20593	3.6
237.14880	2.7
239.16322	6.5
241.19534	4.3
243.21013	4.8
305.24847	4.3
313.28790	5.5
323.27185	3.8
325.28793	6.3
399.32281	10.7
411.35403	3.4
425.34100	6.1
437.34442	16.6
443.35251	21.0
455.35461	32.6
473.36996	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	473.3626
Annotation	16-Oxolycoclavanol
Peak:m/z	Relative Intensity
51.76526	0.6
55.01869	0.6
55.05509	3.1
55.21297	0.6
57.07070	1.4
58.67664	0.6
59.05001	0.6
65.03899	0.7
66.10625	0.5
67.05496	4.7
69.03410	2.2
69.07056	7.8
69.26890	7.0
79.05482	3.9
81.07047	9.0
83.08608	2.4
90.99019	0.6
91.05471	3.5
93.07039	6.6
95.05011	3.0
95.08601	17.1
97.06506	0.8
97.10155	0.9
97.13494	0.6
97.54781	0.5
97.68428	0.7
103.05422	0.7
105.07025	10.4
105.21919	0.6
107.08580	9.1
109.06520	1.4
109.10142	11.6
109.10835	1.1
111.08056	0.9
111.11710	2.7
119.08579	9.3
121.06500	2.5
121.10136	42.4
122.10440	0.8
123.08051	3.0
123.11703	4.9
125.09584	0.8
129.06990	1.3
131.08554	4.4
133.07555	0.9
133.10118	12.3
135.08041	14.8
135.11703	4.7
137.09622	1.0
137.13261	2.1
142.07770	1.8
143.08546	2.4
145.10132	5.1
147.08089	1.3
147.11685	5.4
149.09634	2.0
149.13228	2.5
155.08560	1.3
156.09360	0.8
157.10118	5.3
158.10909	1.5
159.11679	11.4
161.09601	2.2
161.13258	3.2
163.11130	1.0
163.13570	0.6
163.14841	2.0
165.28444	0.6
169.10124	1.9
170.10880	4.3
171.07971	1.0
171.11707	3.7
172.12535	0.5
172.95232	0.9
173.09628	1.5
173.13263	12.4
175.11201	3.3
175.14838	2.3
177.12737	0.6
177.16388	1.6
183.11713	3.4
185.09625	1.0
185.13237	14.1
187.11264	1.7
187.14799	4.6
189.12737	2.1
189.16377	1.8
191.14316	1.6
191.17969	2.9
193.10115	0.8
195.11665	1.4
197.13219	3.0
199.11176	0.8
199.14807	2.4
201.12753	2.3
203.14360	0.6
205.15950	1.1
205.19565	0.9
207.13689	1.1
209.13268	0.7
211.14787	2.6
213.12732	15.4
213.16185	0.7
215.14319	1.1
215.17944	1.7
217.15967	1.0
219.17393	3.8
220.12283	0.6
221.13287	1.0
223.11055	0.6
223.14775	1.6
225.16353	1.8
227.14261	1.3
227.17929	0.7
229.19528	0.7
231.13742	1.7
231.17494	1.0
233.13388	0.7
233.19025	0.7
235.14775	0.9
237.16443	1.6
239.14319	1.6
239.17924	1.5
241.15840	1.9
243.21124	1.5
249.16408	0.7
251.17937	0.6
253.19418	1.1
255.17372	4.0
257.19113	1.2
257.22513	0.9
259.20441	0.7
261.22180	0.8
263.18036	3.2
267.21164	0.6
273.19104	0.7
273.21985	2.8
281.18967	4.3
283.20554	1.0
297.22070	0.9
311.23364	0.8
377.28342	1.5
379.30121	1.2
391.33737	1.0
393.31479	0.9
395.33224	1.2
401.32254	3.9
419.33066	38.0
420.33423	1.4
437.34149	100.0
438.34671	2.6
455.35263	16.2
473.36942	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	473.3625
Annotation	Falcatin A
Peak:m/z	Relative Intensity
55.05510	8.3
56.96558	2.7
57.07066	2.6
57.12037	2.0
61.02924	3.6
65.03945	3.4
67.05504	14.3
69.03425	2.5
69.07065	17.4
69.56876	11.1
69.57285	3.6
71.04999	2.8
79.05484	11.5
81.07054	33.7
83.08615	8.1
85.02919	3.8
91.03929	2.1
91.05492	8.9
93.07037	27.8
95.04946	2.1
95.08599	53.4
97.02885	2.7
97.06535	3.3
97.10193	2.4
98.20708	2.0
105.07016	23.9
107.08588	42.9
109.06544	4.6
109.10146	36.2
111.08086	6.1
111.11762	2.8
117.07059	3.5
119.08580	24.6
121.10130	42.0
123.08073	5.6
123.11720	12.9
124.68784	1.7
125.09601	2.3
129.06967	1.9
131.08572	6.5
133.10114	25.5
135.08041	3.7
135.11697	14.1
137.09627	10.1
137.13239	5.9
139.11174	3.2
141.09116	1.7
143.08530	5.0
145.10115	15.6
147.11681	16.4
149.09578	4.2
149.13243	40.6
149.14372	3.4
153.30180	2.0
155.08543	2.4
156.09319	2.2
157.10162	9.2
158.10922	2.2
159.11693	15.1
161.09706	2.2
161.13251	13.5
163.11206	3.3
163.14819	40.1
168.07564	1.7
168.09258	1.8
169.10173	2.6
170.10826	2.6
171.11722	8.7
173.09654	3.0
173.13255	19.1
175.11218	5.9
175.14796	14.4
177.16380	62.5
179.14249	1.7
179.18042	1.9
185.13181	8.4
187.14806	22.1
189.16351	20.4
191.14326	3.9
191.18005	10.0
193.15869	3.3
197.13222	8.6
199.14816	6.8
201.12949	1.8
201.16330	8.7
203.14314	5.1
203.17953	9.3
205.15869	3.6
207.17456	2.3
211.14798	6.4
213.16335	10.7
215.14340	6.6
215.18019	5.2
217.15932	5.6
217.19528	2.6
219.17307	1.9
222.01434	2.0
225.16354	2.4
227.17978	2.7
229.15871	4.4
231.17471	6.8
233.15366	5.1
233.19046	2.6
235.16910	3.7
241.07559	2.3
241.19565	2.2
243.21036	2.4
247.16995	2.3
249.18503	6.6
254.66072	2.0
259.08463	4.6
267.09036	3.0
267.19412	3.3
269.22610	2.2
285.10129	5.7
303.11438	1.9
381.31458	4.8
389.32111	4.9
399.32236	2.1
401.31790	2.6
407.33203	11.6
411.32275	2.4
419.33023	7.1
425.34103	34.4
437.34348	16.7
443.35190	100.0
454.72220	5.9
455.35669	20.6
473.36539	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	473.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57713	1.3
53.03931	3.4
55.01847	3.1
55.05262	2.3
55.05506	28.7
56.14652	1.2
57.03423	3.3
57.06868	1.1
57.07073	13.4
59.04971	1.9
64.03651	1.2
67.05168	2.4
67.05499	31.5
69.03414	8.3
69.07062	57.2
70.21102	6.1
71.04977	2.9
71.08607	4.8
79.05486	14.8
81.03418	6.6
81.07047	100.0
83.04956	2.1
83.08133	2.4
83.08611	31.4
85.02895	22.8
85.06541	17.9
85.10166	1.8
91.05480	8.7
93.07030	23.6
95.04950	6.2
95.08598	98.2
97.02885	4.4
97.06525	4.0
97.10159	22.8
99.08083	11.5
105.07015	11.0
107.04924	2.1
107.08574	17.7
109.02852	3.8
109.06500	4.5
109.10147	58.9
111.04431	1.8
111.08064	8.5
111.11706	16.9
113.09631	5.8
115.05467	1.4
117.07024	3.3
119.08559	9.0
121.06453	1.7
121.10125	13.2
123.08034	2.1
123.11693	30.3
125.09608	3.8
125.13290	7.4
127.03891	3.9
127.11161	3.3
129.05449	1.7
129.07016	1.7
129.12743	2.6
131.08569	3.7
133.10109	8.8
135.08032	3.1
135.11664	10.5
137.09584	2.0
137.13225	16.5
139.07597	1.3
139.11104	1.8
139.14783	1.4
143.08554	3.0
143.14291	3.1
145.04924	2.7
145.10059	4.0
147.04230	1.4
147.07985	2.2
147.11671	4.1
149.09601	2.4
149.13268	13.2
151.14812	12.7
153.16345	2.2
157.10106	1.8
159.11723	3.0
161.09579	2.9
161.13193	2.1
163.11221	1.2
163.14784	8.6
165.09100	5.1
165.12833	1.5
165.16397	8.0
169.15839	2.0
173.13281	2.3
175.11269	1.7
175.14806	2.8
177.09056	1.6
177.12677	1.7
177.16400	3.8
179.17911	4.2
183.17499	1.7
185.13274	1.6
191.17953	3.7
193.19550	3.3
199.14902	1.7
199.20554	1.9
205.19547	3.5
219.13751	2.5
219.21036	2.5
237.14716	2.1
265.31287	1.4
275.20047	3.7
275.27319	4.7
276.20432	4.3
277.18457	1.6
281.28336	6.9
291.26843	1.5
293.21198	4.9
293.28336	14.5
294.21432	11.9
311.29526	10.6
317.28467	1.3
323.29489	1.8
331.95636	1.5
335.29266	1.6
359.29398	2.5
371.29233	2.0
383.29315	2.2
389.30688	2.3
401.30399	6.1
419.31528	5.4
437.32529	2.0
455.33322	2.2
456.26706	2.1
473.23859	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	473.2896
Annotation	Paeonenoide A
Peak:m/z	Relative Intensity
51.02366	1.7
53.03945	6.5
55.01876	4.3
55.05507	19.6
57.03427	2.5
62.62671	0.7
65.03929	2.9
67.05502	47.3
69.03426	3.2
69.07066	10.1
69.89981	4.6
71.04968	2.6
73.06559	0.9
79.05489	59.0
81.03414	85.9
81.07051	37.7
83.04981	12.9
83.08132	1.4
83.08616	20.1
85.06539	3.0
85.94157	0.8
91.05476	55.8
93.07038	45.7
95.04967	35.7
95.05487	0.6
95.08600	21.5
97.02898	2.5
97.06544	4.0
97.10173	5.3
99.08105	1.1
103.05474	1.0
105.04460	1.0
105.07024	41.4
107.04941	11.5
107.08584	14.6
108.63859	0.7
109.06518	7.8
109.10138	6.7
111.04404	1.1
111.08067	8.6
115.05418	2.6
117.07016	9.1
119.04952	0.9
119.08577	26.5
121.06503	4.8
121.10142	7.6
123.08069	6.6
123.11713	1.6
125.09636	1.8
127.07529	1.2
128.06201	3.2
129.07001	20.1
131.08578	11.5
133.06467	3.4
133.10121	10.2
135.08014	1.0
135.11671	2.1
137.09576	2.8
141.06961	2.0
142.07777	3.8
143.08568	6.4
145.06482	1.6
145.10095	5.9
147.08002	4.0
147.11684	30.1
149.09662	3.6
153.09103	1.1
155.08586	1.8
157.06538	0.9
157.10121	9.1
159.11664	2.6
161.09586	3.6
161.13237	6.4
163.11237	1.2
165.12784	1.9
169.10164	1.3
171.08153	1.2
171.11678	20.2
175.11157	7.2
177.12720	1.5
179.14305	0.8
185.13206	0.8
187.14818	0.9
189.11176	1.1
189.12740	9.0
193.10405	1.3
193.12234	24.2
205.12222	0.8
207.13777	21.6
211.14929	0.9
225.14879	3.3
229.15883	1.9
231.13878	1.2
249.14801	5.1
267.15909	1.0
281.17484	1.9
301.18048	0.9
363.23270	1.6
381.24243	3.2
399.25177	2.4
403.24832	1.1
417.26331	1.1
455.27844	3.0
473.28967	100.0
474.29443	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21172	0.7
53.03955	0.8
55.01861	0.8
55.05510	7.7
57.03435	0.9
57.07069	2.4
67.05502	7.8
67.71980	0.6
69.03427	2.4
69.07066	100.0
70.07386	0.9
70.80981	1.9
71.04993	1.4
73.02893	0.7
73.06562	3.2
74.52266	0.6
77.06701	0.6
79.01846	1.4
79.05489	1.9
81.03414	1.1
81.07049	11.8
83.05022	1.0
83.08631	2.6
85.02905	6.0
85.06558	1.2
87.04470	5.7
89.03907	2.0
89.06029	84.1
90.10041	0.6
91.05487	2.0
93.07051	2.1
95.04987	1.2
95.08601	9.8
97.02899	2.7
105.07038	1.4
106.87041	0.7
107.07053	4.0
107.08584	1.6
109.10170	3.2
111.11719	35.1
117.03381	5.2
117.09136	1.2
119.08599	1.0
119.89732	0.8
120.17313	0.7
121.06487	0.7
121.10154	1.8
123.04432	5.1
123.11686	0.6
127.03921	1.7
130.08655	3.0
131.07069	1.2
131.08551	1.1
133.08597	55.8
133.46228	0.7
135.11682	0.7
137.09628	1.5
137.13260	3.5
139.03905	4.1
143.03409	1.8
145.02850	11.5
145.04947	2.2
145.10069	0.8
147.04454	1.9
149.06026	1.5
151.09637	6.8
153.01823	19.6
155.14302	1.4
157.10103	0.9
163.04120	0.9
163.06012	1.2
163.11208	0.9
165.01891	0.6
165.09169	1.7
166.09491	1.0
175.03905	0.9
177.05472	21.1
177.11223	19.5
187.07523	0.7
195.12370	0.8
199.16957	2.5
215.07056	1.2
221.13812	6.0
239.14908	3.5
243.19577	9.4
254.08417	0.9
261.07825	0.8
275.20313	0.8
283.17493	3.4
293.17773	0.7
293.23413	1.4
300.23175	0.8
310.14716	0.9
327.20132	26.9
328.20749	0.8
349.25931	0.8
393.28677	1.4
437.31094	48.2
455.32312	2.5
472.21872	9.5
473.22614	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	472.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	10.0
57.03430	0.7
57.07072	1.9
59.04996	0.7
61.25875	0.6
67.05501	7.4
69.03423	1.4
69.07063	100.0
69.53074	5.4
70.07384	1.3
71.04994	6.3
73.06558	2.4
79.05494	2.7
81.03416	1.1
81.07050	12.6
83.04980	2.2
83.08632	1.8
85.02895	4.2
85.06537	4.1
87.04458	5.6
89.06024	89.7
91.05477	2.8
93.07034	4.9
95.04976	3.2
95.08592	13.6
95.09159	1.1
97.02888	1.1
97.06512	5.1
97.10156	0.9
99.04440	18.9
99.08083	1.1
101.06002	3.2
105.07016	4.3
107.07057	5.5
107.08575	3.1
109.02879	0.6
109.06485	1.0
109.10139	5.0
111.08065	1.3
111.11709	32.9
113.09695	0.8
117.09125	2.5
119.08594	4.8
121.06463	0.7
121.10136	4.0
122.10399	0.7
123.04434	2.1
123.11674	1.4
125.09633	0.7
127.03905	1.0
130.08607	1.7
131.06993	1.6
131.08574	1.7
133.08597	57.5
133.10034	4.4
135.08054	0.8
135.11671	1.4
137.09576	2.2
137.13223	3.1
139.03847	1.5
143.08537	2.0
145.04962	0.8
145.10118	1.9
147.04393	1.7
147.11668	10.2
149.09610	0.8
151.09647	1.5
151.11090	0.7
153.01808	1.0
153.09096	1.7
155.10661	16.5
155.14293	1.5
156.09299	0.7
157.10135	1.7
159.11665	1.6
165.09076	1.3
165.12708	1.3
171.11662	1.8
173.13234	1.1
175.14828	5.4
177.11206	23.7
181.04930	0.6
183.11664	2.1
184.12563	1.0
187.14838	1.5
193.15805	2.9
195.12164	1.1
197.13257	2.0
199.14783	8.3
199.16884	4.2
217.15776	0.7
221.13795	5.2
232.42737	0.6
239.15053	4.3
239.17838	4.9
243.19530	10.1
257.18954	8.0
265.16580	0.7
275.19983	4.2
283.17499	4.1
293.21112	3.0
315.71521	0.7
327.20105	21.0
328.20425	0.9
349.25851	1.1
393.28210	1.7
426.87106	0.6
437.31064	58.3
438.31396	1.3
455.32346	3.8
472.21579	2.7
472.34625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.0
55.05503	14.9
57.07081	5.3
60.81944	2.7
66.70465	2.5
67.05502	51.7
69.07059	16.8
70.23323	13.2
71.04984	6.8
79.05489	59.4
81.03407	9.2
81.07050	49.0
83.04972	6.6
83.08607	7.6
85.02882	4.8
87.04467	4.1
91.04909	3.0
91.05473	74.5
93.07040	100.0
95.04950	15.1
95.08602	50.6
97.10163	2.6
98.24205	2.5
99.04485	2.6
105.07021	73.7
106.07360	3.1
107.08581	47.7
109.06506	6.4
109.10157	20.9
117.07021	23.8
119.07861	2.0
119.08573	66.2
121.06511	12.6
121.10147	36.6
123.08073	7.0
123.11758	13.0
129.07011	13.5
131.08543	27.1
133.10124	79.9
135.08073	7.3
135.11682	66.3
137.09624	8.8
139.07520	4.4
141.06973	8.5
142.07742	3.3
143.08566	10.4
145.10132	22.1
147.07930	3.8
147.11687	37.5
149.09654	4.8
149.13232	11.1
153.09102	6.5
154.07790	3.1
155.08578	4.0
157.10086	8.2
157.28503	2.5
159.08051	3.4
159.11671	32.9
161.13240	37.5
165.09174	4.1
167.10707	2.8
169.10132	9.9
171.11678	21.5
173.13242	27.2
175.11211	5.2
175.14816	27.1
179.10692	6.3
183.11678	14.2
187.11188	6.3
189.12831	2.9
193.12236	11.6
197.13258	9.6
201.12750	3.8
205.12277	4.9
205.84691	2.8
211.14839	6.1
213.16394	8.8
215.14517	3.9
215.17972	28.8
219.13774	3.9
229.15944	4.8
233.15375	6.0
239.17932	46.7
257.18988	23.7
275.20068	73.1
473.28931	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.347
Annotation	Kunzeanone C
Peak:m/z	Relative Intensity
55.05514	8.4
57.07067	3.8
67.05502	11.7
69.03399	2.8
69.07062	18.3
71.04988	5.4
71.59854	1.7
71.60218	1.6
76.93450	1.4
79.05496	7.2
81.07047	22.3
83.08601	5.4
85.06541	2.6
91.05464	10.2
93.07043	9.9
95.08598	31.0
97.06526	3.6
97.10178	3.9
101.96455	1.7
105.07033	18.7
107.08581	17.7
109.06510	4.2
109.10133	19.2
111.08073	4.5
111.11706	5.7
113.05991	1.8
117.07018	6.0
119.08573	42.7
121.02602	1.3
121.10123	16.5
123.08052	3.6
123.11706	8.6
125.09645	2.0
129.07007	4.0
131.07068	3.5
131.08554	13.8
133.10118	20.5
135.08066	2.7
135.11674	8.7
137.09602	2.6
137.13281	7.3
141.07011	1.5
143.08572	6.6
145.10112	24.2
147.08035	2.0
147.11667	14.3
149.13245	7.4
155.08559	4.4
157.10120	10.6
159.11673	20.9
161.09741	1.8
161.13260	8.9
163.11206	2.3
163.14809	3.2
169.10132	3.3
171.10246	3.3
171.11723	9.5
173.09630	2.1
173.13205	11.3
175.11151	4.2
175.14807	6.0
177.16313	3.7
183.11725	6.7
185.13179	9.9
187.11288	2.7
187.14842	8.2
189.12752	4.2
189.16374	1.7
191.17961	6.6
195.11703	2.2
197.13266	3.9
199.14861	4.4
201.16473	4.4
203.17949	3.9
205.16077	1.9
205.19576	3.6
209.13208	1.9
211.14836	3.6
213.16423	4.5
215.14349	2.4
215.17888	1.8
217.19543	3.5
219.17468	2.8
225.16418	2.8
227.17944	4.2
229.19548	8.5
231.13618	1.9
231.17268	1.7
231.21249	3.4
237.32590	1.5
239.17996	3.9
253.14384	6.1
263.16196	1.7
273.22220	3.4
323.27478	9.8
379.29886	7.6
397.31036	6.6
411.32642	2.2
413.24036	1.5
417.31415	2.0
435.32687	7.3
441.34396	1.8
453.33652	35.2
471.34717	100.0
472.35037	5.0
480.38010	1.6
489.89325	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3469
Annotation	Kuguacin A
Peak:m/z	Relative Intensity
50.48348	0.6
55.05502	1.9
57.07067	2.2
67.05497	4.7
69.03406	1.1
69.06775	0.8
69.07066	8.6
69.54179	5.8
71.05000	1.4
75.36909	0.7
79.05481	2.6
81.07045	9.9
83.04964	0.7
83.08619	2.4
91.05474	2.2
93.07029	5.4
95.04976	3.0
95.08600	17.6
97.06459	0.8
97.10165	1.4
99.08104	0.8
104.09204	0.7
105.07037	4.2
105.07585	0.7
107.08570	8.4
109.06516	1.3
109.10152	9.6
111.08051	1.7
111.11722	1.6
119.08566	9.7
121.06477	1.4
121.10139	12.2
123.08022	1.3
123.11695	3.4
125.09635	1.5
129.06989	0.9
131.08551	2.7
133.06467	0.8
133.10132	8.0
135.08047	21.8
135.11699	4.0
137.09590	1.1
137.13264	2.7
143.08580	1.8
145.10118	4.5
147.08072	4.0
147.11671	4.7
149.09602	1.9
149.13264	2.2
156.09325	1.2
157.10115	3.6
158.10898	1.6
159.08046	2.6
159.11693	5.0
161.09607	4.3
161.13232	3.6
163.11172	1.1
163.14754	1.5
169.10194	1.0
170.10883	1.5
171.10374	0.9
171.11623	4.0
173.09590	2.4
173.13258	6.2
175.11209	3.1
175.14824	2.5
177.16393	1.3
181.10254	1.2
183.08147	0.8
183.11761	1.6
185.09515	1.0
185.13260	4.1
186.10393	0.8
187.11191	2.4
187.14839	1.6
189.09055	0.8
189.12743	3.5
189.16394	2.6
191.17950	3.4
195.11763	1.1
197.13271	2.6
199.11139	1.5
199.14825	1.7
201.12686	3.8
201.16484	1.2
203.14288	4.3
203.17836	1.5
205.19530	2.1
211.11174	2.0
213.12794	1.5
215.14334	1.6
215.17979	2.6
217.12274	1.3
217.15907	1.4
217.19540	1.4
219.17398	1.7
221.13269	1.9
222.14238	1.3
223.14769	1.2
225.16447	1.1
227.14336	1.4
229.12263	2.4
229.15758	1.0
229.19516	0.8
231.13815	1.6
231.17490	1.0
235.14647	0.8
236.15598	1.3
237.16354	3.5
239.14267	4.6
241.15860	1.3
251.18027	1.6
253.15887	9.4
255.17499	1.7
255.21021	0.8
257.15457	0.9
257.22504	0.9
273.22168	1.8
279.17462	7.1
297.18704	0.8
323.27332	1.4
354.45987	0.8
375.30478	2.5
379.26300	2.2
391.30020	2.4
393.27670	2.9
393.31714	2.9
417.31464	6.0
435.32587	100.0
436.32874	4.2
453.33691	19.8
454.34048	1.2
471.34924	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	471.3467
Annotation	Fatsicarpain G
Peak:m/z	Relative Intensity
55.05385	0.9
55.05649	1.0
67.05335	2.0
67.05726	1.0
67.58254	0.5
69.03290	0.5
69.06906	3.0
69.07327	1.4
69.54607	3.8
71.04855	1.0
71.05185	0.6
79.05357	0.9
81.06871	5.5
81.07387	1.4
83.04805	0.5
83.08424	1.8
85.06419	0.4
91.05282	1.5
93.06847	2.9
93.07476	1.0
93.80628	0.4
95.04848	0.9
95.08405	10.4
95.09086	2.2
97.10016	0.8
98.21505	0.5
105.06823	3.9
105.07583	1.0
107.08378	4.6
109.06340	1.1
109.09938	6.7
109.10740	1.0
111.07902	1.2
111.11548	0.8
111.12209	0.5
113.05841	0.9
117.00697	0.5
119.08360	8.1
119.09281	0.8
121.06335	1.0
121.09914	5.2
123.07832	1.5
123.11472	2.3
125.09402	1.4
129.06854	0.6
131.06880	0.5
131.08339	2.1
133.09900	4.6
133.74158	0.5
133.92715	0.5
135.07816	5.4
135.11465	2.0
137.09485	0.9
137.13025	2.6
142.92068	0.5
143.08336	1.5
145.09872	3.3
147.07809	1.5
147.08897	0.5
147.11447	3.0
149.09389	1.4
149.13106	0.9
151.14616	0.5
153.09013	0.7
156.09160	0.8
157.09871	2.2
159.07903	0.6
159.11685	5.2
161.09366	1.9
161.13203	2.9
163.11011	0.5
163.14577	1.0
169.09993	1.2
170.10716	1.1
171.10138	0.8
171.11443	3.7
173.09442	1.0
173.13014	2.2
175.07040	0.5
175.10971	1.0
175.14642	1.2
177.12688	0.6
179.10414	0.6
183.11462	1.4
185.09444	0.6
185.13266	3.0
187.10992	1.2
187.14619	1.2
189.09000	0.5
189.12524	1.9
189.16167	1.0
191.17792	1.1
195.11517	1.0
197.13036	1.8
199.11000	0.8
199.14592	2.0
201.12564	1.0
201.16165	1.1
203.14090	1.2
203.17645	0.7
207.11467	0.8
207.13582	0.7
209.13077	0.8
211.11166	0.9
211.14644	1.1
213.12607	1.1
213.16176	0.6
215.14108	1.1
215.17769	1.0
217.19283	0.8
219.17245	0.6
220.12344	0.6
221.13075	1.0
223.11017	0.9
223.14680	1.0
225.16072	1.5
227.14162	1.1
227.17775	0.9
229.12093	1.2
229.19403	0.9
231.13646	0.8
231.17184	0.6
235.14726	0.6
237.16283	1.1
238.13315	1.1
239.14095	1.5
243.13788	1.0
243.20885	0.6
245.18732	0.6
245.22430	0.5
249.12540	0.7
253.15863	10.4
255.17365	2.7
271.16803	1.9
277.33609	0.5
279.17502	2.2
281.22156	0.5
283.23895	0.7
293.18774	0.5
297.18298	1.8
323.27231	2.3
338.42590	0.5
365.32199	0.6
375.30527	0.8
377.28412	1.6
389.31992	0.6
391.29855	0.8
409.31055	0.8
417.31396	2.6
435.32532	12.6
453.33618	100.0
454.34100	3.2
471.34698	22.8
472.35037	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3467
Annotation	Kunzeanone C
Peak:m/z	Relative Intensity
55.05499	5.1
57.07069	3.7
59.04997	2.0
65.03919	2.0
67.05496	11.0
69.03419	3.2
69.07059	20.2
69.29499	7.1
69.29926	9.4
69.80541	1.9
71.04998	4.4
72.37015	1.4
79.05476	9.1
81.07049	18.9
81.76335	1.5
83.04988	3.2
83.08611	8.2
85.06525	2.6
91.05476	10.0
93.07032	18.9
95.04974	14.1
95.08600	38.0
97.06512	5.7
97.10168	1.9
105.07021	18.2
107.08601	26.6
109.06503	11.3
109.10145	32.1
111.08084	10.9
111.11740	4.6
113.06031	2.5
115.05341	1.6
117.07015	5.0
119.08572	29.1
119.09354	2.4
121.06511	4.6
121.10139	34.0
123.08044	8.2
123.11696	8.2
125.09597	3.0
128.96007	1.5
129.07027	3.0
131.08562	21.2
133.06465	1.4
133.10112	23.4
134.14474	1.6
135.08054	7.7
135.11687	15.9
137.09619	8.7
137.13252	5.8
139.07529	2.6
142.07762	2.6
143.08571	9.9
144.09337	5.2
145.10120	28.2
147.08090	3.9
147.11668	15.2
149.09608	14.6
149.13171	8.5
151.07596	1.6
155.08546	3.8
156.09341	3.6
157.10110	12.7
158.10909	9.2
159.08058	2.9
159.11679	19.3
161.09648	5.3
161.13235	12.9
163.07535	3.3
163.11125	10.3
163.14783	4.0
165.09082	2.7
167.08551	2.2
169.10127	7.6
170.10904	3.4
171.11647	12.9
172.12575	2.1
173.09613	6.5
173.13257	45.1
173.14688	3.0
175.11209	3.9
175.14821	9.1
177.12746	3.0
177.16377	3.7
181.10135	2.3
181.12238	1.7
182.10944	5.6
183.11685	4.2
185.13217	9.5
186.10414	2.0
187.11229	4.4
187.14796	18.0
189.12761	5.7
189.16388	3.2
191.10666	2.2
191.14313	4.9
191.17888	4.4
195.13875	1.7
197.13232	16.4
199.14938	2.6
201.12756	4.5
201.16376	3.5
203.14369	7.4
203.17960	4.7
205.15909	1.8
205.19505	4.2
207.13799	4.4
209.13300	1.9
211.14926	1.7
213.16251	2.2
215.14273	16.6
215.17874	3.5
217.15851	3.9
217.19633	2.4
219.13818	6.4
219.17407	12.0
221.15393	4.1
221.19011	4.9
227.18069	1.9
229.19580	4.4
231.17494	4.1
233.15410	12.0
233.18973	16.6
243.21091	3.0
245.15407	2.6
245.18970	2.1
247.13284	3.6
247.16907	2.3
249.14894	6.7
249.18570	4.3
251.16382	33.6
255.21069	3.5
259.24295	2.0
265.14319	3.7
267.15814	2.0
269.22690	3.1
271.20560	2.1
273.22165	1.5
304.84967	1.9
315.23068	1.6
317.24640	3.0
372.40353	1.8
407.33160	4.0
409.30911	1.6
417.31183	2.3
435.32639	13.2
453.33719	29.0
471.34698	100.0
472.34988	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	471.3467
Annotation	Maytenfolone A
Peak:m/z	Relative Intensity
51.91171	2.5
55.05501	10.0
57.07065	4.5
63.64756	2.6
67.05494	13.4
69.03423	6.4
69.07059	28.1
69.80156	2.3
70.73554	5.3
71.04980	15.3
79.05489	8.5
81.07057	34.8
83.08609	11.8
91.05474	8.6
93.07040	20.1
95.04982	4.0
95.08602	62.1
97.06502	4.7
97.10204	3.4
105.07028	21.9
107.08600	34.7
109.06526	8.7
109.10159	34.8
111.08083	14.0
111.11703	7.0
113.06005	9.0
117.07070	3.7
119.08572	42.6
121.10130	30.5
123.08084	8.1
123.11705	17.5
125.05997	2.9
125.09652	9.1
131.07019	9.0
131.08563	9.0
133.10112	27.0
135.08066	8.3
135.11696	19.8
137.05948	3.5
137.09619	8.3
137.13211	15.8
143.08553	9.1
145.10092	24.6
145.83865	2.3
147.11699	17.1
149.09628	7.4
149.13257	13.7
151.07571	5.8
151.11217	4.1
151.14816	3.3
157.10089	14.7
159.11676	30.4
161.13229	12.7
163.11223	4.8
163.14822	7.1
165.09203	3.4
169.08598	3.2
169.10091	3.7
171.10172	8.3
171.11714	16.1
173.09723	2.5
173.13231	12.5
175.11198	6.8
175.14824	8.0
177.12788	2.9
177.16412	7.0
179.14407	3.0
179.82288	2.9
183.11774	3.2
185.13251	15.8
187.14845	9.1
189.12796	9.9
189.16400	12.3
191.10712	3.7
191.17946	16.5
197.11699	3.6
197.13367	5.6
201.16400	8.0
203.14359	3.5
203.17955	8.0
205.19502	9.0
207.17400	6.1
211.14940	6.1
213.16411	7.6
217.12337	3.2
217.19554	9.4
221.15422	4.8
227.17871	4.8
229.19466	24.1
231.13910	3.9
231.21065	10.8
241.19588	2.7
243.21101	3.2
249.14822	4.3
253.14240	13.0
255.21098	4.7
257.22598	3.8
263.16666	2.6
265.14435	3.4
273.22122	9.6
283.24307	3.9
297.25949	3.1
309.26880	3.1
323.27292	35.8
345.28180	3.2
393.31476	6.0
411.32291	3.5
435.32700	15.9
443.35202	54.1
444.35968	3.1
453.33630	93.2
454.34082	4.8
471.34756	100.0
476.06180	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	471.3465
Annotation	Enoxolone
Peak:m/z	Relative Intensity
55.05500	1.0
55.91505	0.2
57.07058	0.4
67.05500	1.9
69.03410	0.4
69.07056	2.5
69.49088	0.6
69.49504	1.4
71.04967	0.2
79.05478	0.7
81.07048	3.3
83.08607	0.8
91.05459	0.9
93.07034	1.8
95.04930	0.2
95.08597	6.9
97.06496	0.3
97.10150	0.7
105.07030	1.4
105.07591	0.2
107.08589	2.9
109.06515	0.7
109.10146	7.0
111.11706	1.5
117.06972	0.3
119.08567	2.9
121.06535	0.6
121.10134	4.5
123.08074	0.5
123.11697	1.8
125.09515	0.2
128.06238	0.3
131.08557	0.7
133.06479	0.3
133.10130	2.5
135.08060	2.2
135.11679	2.0
137.09592	1.7
137.13197	1.4
143.08539	0.6
145.09157	0.2
145.10114	1.4
147.08017	0.6
147.11676	1.0
149.09550	0.6
149.13260	0.9
151.14780	0.3
155.08511	0.4
157.10144	1.1
159.08022	0.6
159.11684	1.4
161.09578	1.5
161.13255	1.0
163.11179	0.5
163.14775	0.3
169.10153	0.7
170.10869	0.7
171.08014	0.4
171.11639	1.1
173.09651	0.7
173.13293	1.1
173.14532	0.3
175.11154	0.7
175.14810	0.9
177.16309	0.3
179.08673	0.3
182.10962	0.4
183.11685	0.7
185.09540	0.4
185.13252	1.5
187.07512	0.4
187.11128	1.1
187.14804	1.2
189.09056	0.3
189.12689	1.4
189.16380	0.9
191.17918	2.7
195.11739	0.6
197.13264	0.9
199.14871	0.5
201.12663	0.7
201.16362	0.4
203.14340	1.4
203.17950	0.4
207.11623	0.4
209.13362	0.5
211.11200	0.5
211.14838	0.7
213.12753	0.8
213.16385	0.2
215.14388	1.1
215.17856	0.4
219.17432	0.5
221.13219	0.5
223.14821	0.4
225.12753	1.5
227.14302	1.1
229.12265	0.9
229.15817	0.5
231.13786	0.8
231.17465	1.0
233.15283	0.4
235.14781	0.4
236.15448	0.2
237.16426	0.4
238.13573	0.2
239.14427	0.5
243.13754	0.7
245.15369	0.4
249.14880	0.5
251.18059	0.3
253.15887	2.7
255.17511	0.3
261.16449	0.3
279.17316	1.2
297.18472	0.7
297.21664	0.3
378.80646	0.3
385.27426	0.4
389.32291	0.5
391.30121	0.3
393.31644	0.4
399.30585	0.4
413.30511	0.5
417.31458	1.4
435.32492	5.3
453.33667	6.7
471.34668	100.0
472.35004	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3468
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.05511	6.6
56.96544	5.2
57.07066	2.1
61.02929	1.5
65.03964	1.6
67.05509	13.6
69.03416	2.7
69.07063	17.6
69.46600	1.5
69.46989	11.8
71.04990	16.8
74.80914	1.2
75.66180	1.3
79.05466	5.8
81.03411	2.5
81.06587	1.5
81.07057	26.7
81.27838	1.2
83.08598	4.8
85.02895	3.0
85.06524	2.3
91.05468	6.8
91.94886	1.5
93.07045	12.1
95.04957	3.5
95.08605	38.5
97.02862	2.4
97.06522	1.4
97.10171	2.8
102.69952	1.3
105.07030	12.2
107.07948	2.1
107.08588	18.8
109.06540	3.5
109.10146	22.3
111.08085	7.7
111.11727	7.9
113.05993	6.4
116.98606	2.8
117.06982	3.2
119.08578	29.8
121.06503	1.4
121.10149	16.6
123.08046	3.0
123.11696	12.0
125.09628	6.1
129.06966	1.6
130.07843	1.9
131.07024	10.3
131.08543	8.4
133.10117	15.0
135.08018	3.0
135.11694	9.2
137.09610	3.3
137.13231	10.1
143.08569	6.2
144.09332	1.6
145.10124	16.7
147.11667	7.8
149.09651	2.0
149.13263	5.6
155.08563	2.9
156.09302	2.6
157.10101	10.7
159.11682	27.3
161.09650	2.1
161.13197	5.6
163.14816	3.5
169.10100	4.1
170.10849	2.7
171.10126	7.6
171.11690	15.5
173.13295	7.4
175.11183	3.5
175.14803	3.4
177.16350	5.5
183.10262	1.7
183.11681	5.1
185.13217	14.4
187.11185	3.3
187.14807	4.6
189.12711	3.3
189.16423	4.0
191.17931	15.5
197.11676	2.1
197.13264	4.5
199.14796	6.2
201.12711	1.8
201.16357	4.9
203.17914	5.5
205.19579	4.7
209.13213	1.9
211.14816	4.9
213.16385	4.7
215.14317	2.2
215.17946	3.0
217.12321	1.7
217.19476	6.0
219.13863	1.8
219.17470	2.0
223.14908	1.9
225.16380	5.1
227.17928	5.0
229.16034	1.5
229.19508	3.8
231.13776	5.8
235.13290	2.0
237.16402	2.2
239.17889	1.9
241.15681	1.7
243.13805	2.0
243.21074	3.1
247.12968	1.3
249.14912	1.5
253.14250	1.7
255.21068	2.4
257.22711	4.5
283.24149	4.9
289.17767	2.0
297.18457	2.4
321.25912	1.9
322.26242	3.3
323.27310	31.2
324.28098	2.7
335.25864	2.2
341.28436	2.2
343.26358	3.6
356.30719	1.5
365.31946	5.2
375.30563	1.7
389.32132	2.1
393.31610	6.3
401.30524	1.8
409.35056	2.3
411.32330	2.0
417.31412	2.6
427.32166	3.9
435.32584	16.0
453.33636	100.0
454.34039	1.5
471.28836	1.9
471.34912	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	471.3471
Annotation	Fatsicarpain G
Peak:m/z	Relative Intensity
53.03961	1.4
55.05505	3.9
56.96558	3.2
57.03435	1.9
57.07060	3.3
58.83040	1.0
61.02916	2.2
62.74137	0.8
67.05495	10.7
69.03410	1.9
69.07061	9.7
69.40505	6.2
69.40910	2.3
71.04991	1.1
73.02927	1.6
73.53236	1.0
73.88142	0.9
79.05499	7.8
81.03422	1.6
81.07055	19.0
82.48487	0.8
83.04988	2.0
83.08620	2.5
85.02904	2.6
85.06544	2.1
91.03985	1.4
91.05475	7.3
91.29311	0.8
93.07035	13.8
95.04962	4.8
95.08603	16.0
97.02888	2.8
97.06537	4.3
98.97593	1.1
99.08110	2.8
105.07026	13.7
107.04942	1.9
107.08587	14.8
109.06512	2.4
109.10163	13.2
111.08088	3.0
112.69279	0.8
115.05431	1.1
117.07008	2.5
119.08575	18.2
119.09367	1.7
121.06491	4.4
121.10134	18.2
123.08080	2.9
123.11698	16.7
125.05973	5.5
125.09604	1.2
128.98604	1.1
129.07013	1.5
131.08554	7.6
133.10127	13.9
135.08058	6.9
135.11702	6.7
137.09654	2.6
137.13266	1.4
139.07509	5.3
139.11205	1.0
142.07753	1.7
143.08583	3.6
144.09262	1.1
145.06459	1.3
145.10110	30.1
147.08008	2.2
147.11685	10.5
149.09607	3.5
149.13315	3.1
151.11200	1.4
155.00916	1.3
155.08595	1.4
156.09337	2.2
157.10092	5.9
158.10873	1.6
159.08089	3.7
159.11684	9.7
161.09637	3.8
161.13263	7.3
163.11185	2.8
163.14813	4.8
165.09204	1.2
165.12801	0.9
169.10112	4.5
171.10231	1.0
171.11642	5.2
172.12357	1.3
172.95293	2.8
173.09624	5.7
173.13216	6.2
175.11191	9.2
175.14801	3.4
177.00748	1.3
177.09154	5.2
177.12781	1.3
177.16498	2.4
181.10106	1.1
182.11038	1.7
183.11734	2.3
185.13239	5.2
187.11188	11.8
187.14809	33.1
187.16409	1.6
189.12770	2.3
189.16380	8.4
190.96365	2.7
191.10713	3.0
191.14278	1.5
193.16034	1.2
196.12468	1.8
197.13278	2.8
199.11404	1.3
199.14839	2.8
201.12650	2.3
201.16374	4.6
203.14357	1.8
203.17989	1.3
205.15886	15.4
205.17598	1.7
207.17450	6.8
209.13260	2.4
211.14775	5.0
213.16446	2.9
215.14319	10.1
215.17824	1.9
217.15935	2.2
219.17401	2.2
223.17061	1.3
225.16412	1.2
227.14459	1.2
228.97844	1.1
229.15869	100.0
230.16255	2.2
231.17444	22.2
233.15356	28.6
239.17932	1.3
243.09065	2.6
243.17456	2.4
247.16927	33.5
249.18509	16.0
257.18958	2.0
259.08530	3.4
269.19003	2.2
271.20526	1.1
283.20599	2.2
285.10193	3.6
285.22101	1.6
295.20816	1.9
311.10620	1.6
313.21680	7.9
317.17892	3.0
324.11639	4.1
335.19046	1.8
335.26062	2.0
355.26389	1.7
417.31653	6.8
425.30566	1.2
435.32639	19.8
436.33167	1.4
441.33463	1.3
453.33655	65.3
454.22333	2.9
454.34076	2.2
471.19260	1.6
471.34784	87.1
472.35074	3.2
494.19711	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3464
Annotation	Kunzeanone C
Peak:m/z	Relative Intensity
55.05514	6.7
62.67558	2.9
67.05488	6.8
69.07060	12.0
69.50613	4.7
69.51021	28.8
74.19927	3.0
77.97910	2.9
79.05484	10.8
81.07070	17.9
83.04977	5.2
83.08632	3.9
91.05476	5.2
93.07041	11.7
95.04940	5.5
95.08607	32.5
98.21509	8.2
105.07037	13.1
107.08597	16.2
109.06518	5.0
109.10156	26.4
119.08584	11.4
121.10155	17.2
123.11687	13.6
126.14618	3.4
131.08556	5.1
133.10158	7.7
135.08023	5.5
135.11702	14.3
137.09576	3.4
137.13237	3.7
147.11649	9.7
149.13243	4.4
157.10170	6.8
159.11702	9.4
161.13248	8.6
163.11139	4.4
163.14789	6.2
171.11702	5.7
173.13237	5.4
175.14830	4.8
177.16377	5.0
185.13232	3.8
187.14851	3.9
191.17889	7.7
202.84685	4.0
203.17950	9.1
205.19637	4.9
255.21042	4.4
339.26773	4.4
369.31436	6.2
411.32385	19.1
432.81183	3.3
435.32755	6.3
453.33664	30.7
471.34827	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.7
55.01862	4.8
55.05266	3.8
55.05512	60.5
57.03430	3.4
57.07075	22.6
67.05508	31.3
69.03420	8.0
69.07068	100.0
69.68230	3.3
70.52740	2.5
71.04980	10.0
71.08616	14.1
73.72221	2.9
79.05495	21.6
81.03397	13.2
81.07054	81.8
81.32450	3.3
82.07391	3.7
83.04964	7.7
83.08138	4.4
83.08612	56.8
85.02899	7.3
85.06538	7.1
85.10182	6.1
86.61553	3.1
91.05471	19.0
93.07047	30.4
95.04960	10.7
95.08605	77.8
95.76632	3.1
97.02885	28.9
97.06511	9.5
97.10175	54.0
99.04454	22.0
99.08091	4.8
105.07044	24.3
107.04948	7.7
107.08591	37.4
109.02877	13.0
109.06508	8.6
109.10150	48.8
111.08053	12.4
111.11717	30.3
113.09666	3.6
119.04958	4.7
119.08578	20.8
121.06519	5.6
121.10144	34.4
123.08089	5.1
123.11723	27.9
125.09601	14.3
125.13273	8.4
127.03917	40.9
127.11181	4.2
129.06984	4.2
131.08574	10.8
131.41772	3.4
133.10118	21.6
135.11688	16.9
137.09634	5.9
137.13240	14.2
139.03876	3.5
139.11145	6.9
139.14806	4.3
142.07689	2.8
143.10634	5.4
145.04990	6.6
145.10121	10.6
147.04382	14.5
147.11702	16.5
149.09634	7.1
149.13248	10.2
151.11128	6.2
153.12813	3.4
157.10129	3.5
157.12212	6.5
159.11658	7.1
161.09575	3.7
161.13246	8.5
163.11172	5.0
163.14764	9.8
165.09111	7.2
165.12723	4.3
165.16360	3.2
167.14336	7.5
169.10187	4.2
171.11778	6.3
173.09607	4.9
173.13246	4.2
175.14857	8.5
177.16341	9.7
179.14291	4.1
181.15833	4.4
185.13264	3.8
187.14766	5.9
191.17923	8.6
193.16023	3.3
195.17462	6.1
203.17990	5.7
205.12090	3.3
209.18961	10.9
215.17987	5.0
217.19482	4.1
221.19049	8.5
227.20139	4.8
235.20526	4.4
261.25677	3.5
269.12299	5.9
273.25687	9.6
279.26999	4.9
291.26746	22.9
297.27899	7.8
309.27899	4.3
317.27939	3.0
435.32651	3.8
453.33167	7.1
471.34979	4.3
479.01547	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.01853	1.4
55.05507	21.5
55.05766	0.7
57.03421	4.2
57.07080	6.2
59.04989	1.2
61.02951	1.2
65.03932	1.1
67.05498	35.1
69.03426	18.4
69.07060	32.9
71.04991	6.9
71.08618	2.2
71.60654	1.5
71.61042	1.6
73.02911	1.8
79.05485	17.9
81.03413	13.4
81.07048	97.6
82.07355	1.8
83.04971	4.5
83.08610	22.3
85.02897	29.5
85.06517	5.7
85.10179	1.4
86.13464	1.5
91.05485	9.9
93.07036	31.4
95.04960	5.7
95.08601	100.0
96.08960	1.5
97.02898	7.2
97.06519	6.5
97.10165	17.2
99.04482	7.7
99.08088	3.0
105.07023	14.5
107.04939	1.6
107.08595	24.9
109.02855	8.0
109.06516	2.9
109.10146	44.9
111.04418	2.1
111.08071	2.0
111.11713	9.1
114.58869	1.2
115.03899	1.6
115.30947	1.1
117.06991	1.9
119.08578	14.3
121.06503	1.0
121.10133	25.6
123.04470	2.0
123.08070	3.4
123.11692	31.6
125.09621	2.8
125.13277	1.9
127.03909	11.4
127.11236	1.7
129.06972	1.1
131.08565	3.5
133.10107	8.8
135.07959	1.8
135.11678	16.6
137.09569	2.4
137.13245	9.9
143.08627	1.6
145.04945	3.3
145.10146	3.8
147.04410	3.7
147.11665	8.0
149.13243	17.6
151.14786	2.5
157.10085	1.6
159.11671	3.9
161.09587	2.2
161.13255	4.4
163.11305	1.5
163.14809	11.9
165.09131	3.8
165.16406	1.2
167.14342	1.5
171.11790	1.5
173.04474	3.4
173.09618	1.4
173.13239	1.3
175.14819	3.7
177.16304	6.0
179.17928	6.4
189.12798	1.3
189.16394	1.6
191.18002	3.2
197.19157	1.9
199.14825	2.3
201.16399	2.1
209.19012	1.4
217.19505	2.9
217.30637	1.2
222.81212	1.4
227.17859	1.1
273.25754	8.2
276.35675	1.1
291.26804	15.8
309.20453	4.3
309.27823	21.0
371.29361	1.9
389.30518	2.2
399.28769	1.5
405.30090	2.5
417.29745	3.5
427.00360	1.2
428.76007	1.2
435.31296	3.3
453.32526	2.8
471.25427	17.0
471.31747	1.8
472.25717	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.01849	2.9
55.05507	17.5
56.96525	0.9
57.03429	3.2
57.07062	3.8
61.02916	3.2
61.76299	0.6
62.28700	0.7
67.05501	8.4
69.03078	0.9
69.03423	13.0
69.06681	0.8
69.07059	15.6
69.96700	3.8
70.06602	0.8
71.04976	3.4
71.08630	0.9
73.02910	1.1
77.19418	0.6
79.05467	4.4
79.64896	0.7
81.03412	4.9
81.06582	1.4
81.07050	27.4
83.04478	1.3
83.04971	24.9
83.08611	6.5
85.02898	26.5
85.06527	8.9
87.04435	1.1
88.22668	0.6
91.03936	1.0
91.05457	4.9
93.07034	9.7
95.04966	3.3
95.08592	22.8
97.02885	8.8
97.06523	3.3
97.10183	3.7
99.04425	2.4
99.08074	2.9
105.07025	5.5
107.08586	10.1
109.02870	4.0
109.06495	5.1
109.10141	14.8
111.08067	23.0
111.11698	2.2
119.04911	1.2
119.08537	6.4
121.10123	8.7
123.04414	12.5
123.08057	2.7
123.11700	10.1
124.04747	0.8
125.09607	5.5
127.03901	6.3
129.06941	0.9
131.04932	0.8
131.08545	1.0
133.10112	3.5
135.08017	1.0
135.11656	5.6
137.06059	0.9
137.09604	2.6
137.13251	5.0
139.03854	4.9
139.11156	2.0
144.09383	0.7
145.04926	3.1
145.06261	0.6
145.10080	1.8
146.99680	0.9
147.04398	3.2
147.11658	2.8
149.09598	1.4
149.13255	5.7
151.03973	1.0
151.11186	1.0
151.14772	1.2
151.53516	0.7
153.12729	2.2
155.14357	0.8
157.10127	1.4
159.11670	1.3
161.09657	1.3
161.13235	1.2
163.14807	2.7
165.09084	4.4
165.12709	1.9
165.16365	0.7
167.14238	1.4
171.11702	1.0
173.13243	0.8
177.16342	1.1
181.15875	0.8
189.16393	1.2
191.17961	1.2
193.19539	0.8
199.14798	1.0
203.17944	1.0
217.19580	0.8
273.07675	1.8
273.22357	0.8
273.25623	1.1
279.26407	0.6
291.26770	8.5
309.27847	100.0
310.28235	3.2
435.31180	0.9
450.40485	0.8
471.25674	4.9
471.33380	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	471.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.5
55.05489	0.9
57.03416	0.7
61.02879	0.6
67.05475	1.3
69.03403	1.3
69.07037	1.2
70.06561	0.5
71.59891	0.4
71.60314	0.5
73.02893	0.5
79.01815	0.5
79.05463	1.0
81.03381	0.7
81.07057	2.8
83.04939	0.6
83.08574	0.4
85.02872	1.3
85.06543	0.7
91.05447	1.1
92.81228	0.4
93.06997	1.3
93.84643	0.4
95.04964	0.9
95.08610	2.0
97.02851	1.0
97.06530	0.4
97.10140	0.5
98.97581	1.0
104.12236	0.4
105.07021	1.6
107.08549	1.6
109.02831	0.8
109.06478	0.6
109.10104	1.4
111.93651	0.4
116.98578	0.7
119.01869	0.4
119.04905	0.9
119.08547	1.4
121.10130	1.4
123.04430	9.5
123.11663	1.1
124.04767	0.7
127.03860	0.7
131.08546	0.6
133.10060	1.5
135.08012	0.8
135.11673	0.8
137.05927	0.6
137.09570	0.6
139.03909	2.4
143.03363	0.7
145.10071	0.9
147.04439	2.3
147.11665	0.6
149.05931	0.4
149.13254	0.5
151.03906	0.6
153.00749	0.5
153.01833	4.6
154.02100	0.5
155.01979	0.5
155.03215	0.7
165.01802	1.3
165.05493	0.5
167.03384	9.6
179.03398	4.3
180.03629	0.5
183.02907	1.0
193.15793	0.5
203.05367	2.6
245.06316	0.7
273.07480	0.6
275.07407	3.3
284.34158	0.4
291.19489	0.9
301.07059	0.7
309.20428	0.7
309.27786	0.8
319.04648	0.8
335.09464	44.4
411.16867	0.5
471.21790	100.0
472.22058	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2198
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
55.05506	0.5
57.03427	0.4
57.61391	0.3
67.05486	0.9
69.03394	0.7
69.07046	1.1
69.73318	2.0
71.04984	0.4
79.05486	0.8
81.03395	0.6
81.07051	2.5
83.04977	0.5
83.08614	0.5
85.02882	0.8
85.06519	0.6
87.40260	0.3
91.05467	0.6
93.07024	1.2
95.04970	0.4
95.08603	1.8
97.02866	0.8
99.04519	0.3
105.07021	0.8
107.04974	0.3
107.08595	1.1
109.02802	0.3
109.06539	0.3
109.10159	1.4
111.04413	0.3
117.37714	0.3
119.04960	0.3
119.08615	0.6
121.06519	0.4
121.10136	0.9
121.20059	0.2
123.04438	3.8
123.08074	0.7
123.11671	0.5
125.20555	0.3
131.08508	0.4
133.10126	0.8
135.11723	0.6
137.05959	0.4
137.09602	0.5
139.03853	0.6
145.10095	0.6
147.04379	1.5
147.11713	0.5
149.13235	0.4
153.01804	1.1
159.11638	0.5
161.13220	0.5
163.04053	0.3
165.09091	0.8
167.03360	0.9
167.07147	0.3
169.68909	0.3
171.11751	0.3
173.13309	0.5
179.03458	0.4
199.11046	0.3
203.05272	0.8
221.07587	0.3
258.15268	0.3
259.07953	0.7
273.07446	0.3
291.26901	0.4
309.16867	1.3
309.27853	1.1
333.08118	0.7
335.09433	1.6
471.21964	100.0
472.22308	3.6
482.01596	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.4
51.02374	0.8
51.51883	0.1
53.00283	0.2
53.41463	0.2
55.01865	0.3
64.65024	0.2
68.99796	0.5
69.03408	0.4
71.58851	0.3
74.85181	0.1
79.01849	5.8
79.05486	0.2
81.03405	0.2
81.07072	0.3
85.02904	0.3
85.06531	0.3
87.00816	0.2
92.06721	0.1
95.04955	0.2
95.08611	0.2
97.02888	1.1
100.11246	0.3
101.07151	0.2
107.01302	1.3
107.04958	0.7
109.02868	0.5
111.00813	1.2
111.04442	0.3
119.05025	0.2
121.10060	0.2
123.04414	0.5
125.02349	3.8
126.03153	0.2
127.03934	0.2
135.04372	0.3
135.51674	0.1
137.02324	1.0
137.05968	0.7
139.03905	0.4
139.11188	0.2
143.03395	8.4
147.04411	0.4
153.01823	100.0
153.02798	3.8
154.02155	0.7
161.05910	0.3
165.01843	1.2
165.05371	0.2
166.02715	0.2
166.05159	0.2
177.05444	1.1
179.03369	0.7
183.02896	0.5
189.05452	0.6
193.01221	0.2
194.24803	0.2
195.02916	0.3
195.65820	0.1
203.03426	0.2
217.04956	1.5
221.04576	0.2
235.06129	0.2
245.04408	2.8
255.02977	0.2
263.05511	0.4
273.03882	2.4
290.04166	0.6
291.05038	0.2
291.08640	0.2
301.03430	0.6
301.10730	0.4
319.04474	46.1
320.04843	0.4
324.81409	0.2
325.03220	0.2
389.53195	0.2
404.30090	0.2
468.39893	0.2
471.05539	10.2
471.21112	1.2
471.35138	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.2
55.43566	1.8
56.96565	4.9
57.07077	24.1
61.02916	5.1
67.05485	3.5
69.03427	4.7
69.07054	4.6
69.33854	12.2
69.34287	9.7
71.04984	2.1
71.08624	20.0
73.02916	3.5
73.06547	2.7
81.03429	4.5
81.07059	5.1
83.08610	3.1
85.02903	18.3
85.10174	19.4
89.06028	83.0
91.03954	2.2
91.05446	3.4
93.07038	5.2
95.04950	2.5
95.08597	4.4
97.02885	7.1
98.21463	3.4
99.04454	2.3
105.07102	2.0
106.77308	1.8
107.07063	7.3
107.08593	3.5
108.68624	1.8
109.10101	3.2
119.08539	5.4
127.03925	4.1
133.08592	20.2
133.10115	4.6
145.04935	2.9
145.10158	2.2
151.09654	73.3
178.30005	2.0
188.59853	2.0
194.44907	2.0
211.02606	2.2
229.21678	4.0
285.10031	4.1
285.29099	2.2
291.25281	100.0
316.11639	3.1
323.69498	2.7
339.24673	2.0
349.16782	3.4
356.15024	4.0
373.68594	2.4
399.43259	2.4
470.22263	2.5
470.33401	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	470.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.05490	1.8
56.96554	3.6
57.03428	1.5
57.07066	7.1
61.02906	3.9
67.05489	2.1
69.03414	2.6
69.07050	3.2
69.81669	1.2
71.00603	0.9
71.08620	6.9
73.02924	1.3
79.05491	3.1
81.03409	4.3
81.07039	5.8
83.04963	1.1
83.08592	1.3
85.02894	12.1
85.10168	5.0
89.06026	51.0
90.88807	1.1
91.03952	1.6
91.05470	1.9
93.07024	4.7
95.04944	2.0
95.08590	3.2
97.02869	3.8
97.06533	1.3
97.10104	1.5
104.28577	1.0
105.07005	2.2
107.07059	4.0
107.08586	3.7
109.10117	3.1
112.02232	1.2
119.08572	4.4
121.10093	1.3
127.03855	2.8
130.08597	1.7
131.08549	1.1
133.08598	9.2
133.10081	1.6
135.11659	1.1
143.08565	1.2
145.04901	1.6
145.10135	1.9
145.38179	1.2
147.11700	1.4
151.09642	100.0
157.10146	1.9
159.11673	1.6
161.13332	1.3
171.11707	1.2
173.13271	1.6
193.12329	1.2
203.05962	1.5
211.13283	1.3
229.30037	1.3
240.07124	1.2
267.09085	3.3
269.12357	1.4
275.12650	1.3
285.09991	6.1
291.25262	18.6
307.53656	1.1
308.11731	1.8
331.16028	1.8
349.16864	5.2
356.14883	4.2
367.18210	1.2
452.32474	1.4
470.21600	2.8
470.33917	2.3
470.72165	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3672
Annotation	Koelpinin B
Peak:m/z	Relative Intensity
52.14795	1.1
53.03943	1.1
55.05499	3.6
56.14941	1.1
56.32652	1.1
57.07063	2.2
59.98338	1.1
63.29659	1.1
67.05513	6.2
69.07065	11.6
71.08647	1.2
71.62128	1.7
79.05478	7.2
81.07046	16.8
83.08596	5.2
85.31122	1.1
91.05482	6.2
93.07048	16.4
95.04941	1.4
95.08604	33.7
97.10183	2.6
105.07009	16.3
107.08593	34.5
109.06537	1.5
109.10155	21.7
111.11771	1.1
119.07786	2.1
119.08574	25.0
119.09357	2.1
121.10141	32.2
123.11680	8.2
131.08574	4.7
133.10123	29.2
135.08124	2.3
135.11697	11.9
137.13293	2.0
143.08566	1.3
145.10127	8.8
147.11679	16.3
149.09558	1.8
149.13248	16.3
151.14841	1.5
158.11000	1.5
159.11690	7.4
161.09587	1.6
161.13243	11.4
163.11229	3.0
163.14842	14.5
173.13278	4.4
175.11046	1.4
175.14818	19.2
177.16393	27.0
185.13303	1.8
187.14807	11.5
189.16374	28.2
191.14270	2.3
191.17947	6.4
201.16364	8.4
203.17950	99.1
203.79175	1.3
205.15869	49.5
205.19458	2.5
207.17459	2.5
213.16449	1.6
215.17957	4.8
217.15988	1.6
217.19553	2.5
219.17468	3.6
219.20932	1.3
227.17883	1.3
229.19502	1.7
231.17555	2.2
233.18927	2.7
249.18423	2.1
261.18469	1.8
263.20081	9.0
391.33588	5.7
409.34644	100.0
410.34961	1.4
437.34177	1.6
451.36252	2.5
469.32312	6.4
469.37015	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.331
Annotation	alpha-Kudinlactone
Peak:m/z	Relative Intensity
52.34504	1.7
52.82113	2.0
55.05510	4.2
57.07073	2.2
60.99886	2.4
67.05492	7.2
69.03421	3.1
69.07066	9.8
69.28786	10.2
69.29210	11.4
75.93531	1.7
79.05498	3.3
81.07043	11.0
83.08598	3.4
83.31017	2.3
87.94936	1.9
91.05476	4.2
93.07040	9.6
95.08595	17.9
102.39806	2.2
105.07008	8.5
107.08564	12.9
109.06512	3.2
109.10149	11.5
111.11699	3.9
119.08583	15.9
121.10128	25.3
123.08025	2.5
123.11712	6.7
125.13219	2.3
133.10120	7.3
135.11685	3.9
137.13251	5.4
145.10129	4.0
147.11681	7.4
159.07939	3.4
159.11658	4.9
161.13264	6.9
171.11679	3.2
173.09595	6.5
173.13277	3.9
175.11171	3.8
175.14818	2.8
187.11154	3.8
188.29874	2.0
189.16359	2.6
191.17891	2.3
199.11229	4.2
201.12755	4.5
203.17982	3.8
208.39874	2.0
213.12682	4.0
215.17899	3.3
217.19489	13.6
227.14264	5.1
229.12415	2.9
233.11670	9.7
234.24887	1.8
247.13399	10.1
251.12749	2.7
263.48676	2.2
287.16208	2.7
311.27283	4.0
331.89740	1.9
369.62067	2.0
391.29855	5.7
426.17267	2.2
451.32080	100.0
452.32303	3.1
469.33102	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3312
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
54.02100	0.9
54.06204	0.9
55.05505	6.6
57.03432	1.3
57.07064	1.5
63.86228	1.0
67.05496	8.9
69.03440	2.4
69.07065	7.3
71.01370	1.3
71.04983	3.1
71.61112	2.2
79.05495	4.3
81.07058	12.8
83.04980	3.9
83.08609	3.5
85.06526	1.8
86.09710	2.3
91.05491	4.8
93.07034	12.3
95.04982	3.4
95.08603	20.9
97.06513	2.5
97.10182	1.4
99.08088	1.2
104.10757	4.4
105.07024	11.7
105.11090	1.1
107.08595	16.3
109.06537	2.9
109.10143	13.7
110.78861	0.9
111.08080	3.3
111.11750	1.1
113.05975	5.0
117.07003	2.9
119.08577	21.8
121.06526	1.7
121.10139	16.8
122.19865	1.1
123.08078	4.3
123.11703	7.4
125.00066	1.0
125.09601	1.6
125.68644	0.9
129.06943	1.2
131.07062	1.5
131.08569	10.0
133.10117	22.1
135.08037	2.9
135.11684	11.4
137.09651	5.0
137.10713	0.9
137.13306	3.1
139.11166	4.0
140.50293	1.0
141.05467	2.2
143.08522	6.2
145.10114	11.4
147.08041	2.7
147.11662	9.0
149.09634	3.1
149.13287	3.8
151.11191	1.5
155.08629	2.5
156.09396	2.3
157.10114	7.0
158.10919	1.6
159.08061	1.3
159.11687	13.2
161.09657	2.4
161.13252	8.1
163.11208	4.8
163.14764	2.4
165.12733	2.1
169.10172	4.0
170.10980	1.6
171.11688	5.9
173.09683	1.1
173.13248	14.8
175.11200	2.0
175.14864	5.5
177.12735	2.8
181.10004	1.0
183.10179	3.8
183.11771	3.4
184.07387	4.1
185.07776	1.5
185.13292	5.8
187.11287	1.9
187.14799	8.2
189.12753	2.6
189.16441	3.0
191.14238	6.1
193.12286	1.4
195.11711	2.1
197.13330	3.3
199.14830	7.8
201.12755	1.4
201.16441	3.8
203.14349	4.0
203.17812	1.1
205.15878	2.4
209.13309	3.3
211.14838	3.6
213.12788	1.4
213.16336	5.3
215.14389	2.0
215.17987	2.5
217.15907	6.7
219.17506	3.1
223.14824	1.6
225.16391	3.1
227.14363	1.9
227.18010	2.8
229.15782	1.8
231.13857	1.2
231.17514	3.2
233.15468	3.1
239.18040	1.0
241.19640	1.4
245.19026	1.7
251.16228	8.6
253.19612	1.3
259.20590	1.2
269.19070	1.9
279.21066	1.2
283.20657	2.1
297.22131	1.5
309.22357	1.3
319.24231	2.5
321.25772	2.3
337.25400	4.1
339.26727	8.3
381.31555	2.5
391.30148	1.2
408.24426	1.1
409.30997	23.3
415.30740	1.4
433.30899	5.3
451.32217	13.0
466.08060	1.1
469.33228	100.0
470.33841	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	469.3311
Annotation	Oncostemonol H
Peak:m/z	Relative Intensity
55.05498	1.4
57.07058	0.6
64.62352	0.3
67.05503	2.1
69.03417	1.0
69.07066	3.7
70.79013	1.0
71.08628	0.3
79.05484	0.9
79.21874	0.3
81.07057	4.5
83.04971	0.8
83.08613	1.0
83.30994	0.3
87.38492	0.3
89.06029	1.1
91.05486	0.8
93.07027	1.7
95.04990	0.7
95.08041	0.6
95.08603	7.5
97.10152	0.8
98.21354	0.4
105.07022	1.7
107.08572	3.1
109.06519	0.9
109.10153	3.6
111.11707	1.3
119.08556	3.3
121.06494	0.7
121.10140	3.0
123.08065	1.3
123.11697	1.5
131.08568	1.6
133.08612	0.7
133.10129	2.8
135.08061	2.8
135.11671	1.8
137.09633	0.6
137.13223	1.8
141.40004	0.3
142.07790	0.5
143.08522	0.5
145.10083	1.5
147.08078	1.2
147.11674	1.6
149.05956	0.4
149.09639	0.6
149.13211	0.8
155.08588	0.3
157.10127	1.2
158.10876	0.8
159.08014	1.0
159.11673	1.8
161.09644	1.1
161.13214	0.6
163.11166	0.4
169.10143	0.6
171.08144	0.7
171.11693	1.4
173.09656	1.0
173.13271	3.9
175.07506	0.6
175.11201	1.2
175.14832	1.0
177.09131	0.4
177.12756	0.5
182.10924	0.5
183.11702	1.2
185.09650	0.7
185.13300	0.7
187.11171	0.9
187.14830	0.4
189.16426	1.1
191.10690	0.6
191.14328	0.5
191.17940	1.4
195.11751	0.5
197.09579	0.3
197.13297	0.8
199.11179	1.0
199.14960	0.4
201.12730	4.4
203.10703	1.1
203.18031	0.6
205.12202	0.5
209.13202	0.6
211.11253	0.6
211.14835	0.4
213.12752	1.4
215.14433	0.5
217.12259	0.7
219.13768	3.3
225.12685	0.7
227.10725	0.9
229.12320	0.7
231.17584	0.4
235.15065	0.4
243.13783	0.5
247.13318	2.4
253.15956	1.2
267.17368	0.5
277.15811	0.5
283.17407	0.9
284.17911	1.0
295.16803	0.6
313.18237	0.5
327.22955	0.3
340.47031	0.3
341.24786	0.8
355.22620	0.4
355.26443	3.1
391.29892	0.8
409.31320	0.6
415.29962	0.4
423.32758	0.6
433.31039	2.8
451.32068	12.7
452.32980	0.4
469.33139	100.0
470.33475	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	469.3311
Annotation	alpha-Kudinlactone
Peak:m/z	Relative Intensity
51.10788	0.3
54.75538	0.3
55.01860	0.4
55.05497	1.2
55.31647	0.3
56.85770	0.4
57.03436	0.3
57.07067	0.8
67.05495	2.6
69.03410	0.9
69.07069	2.9
69.96204	1.6
71.04973	0.3
73.47557	0.3
79.05459	2.0
81.07046	4.5
83.04981	0.6
83.08602	0.9
87.04440	0.3
91.05460	1.8
93.07032	4.4
95.04946	1.2
95.08595	5.7
97.06499	1.1
97.10127	0.6
99.08084	1.2
105.07013	4.5
107.04936	0.5
107.08582	4.7
107.23799	0.3
109.06515	1.2
109.10144	5.5
111.08103	0.7
117.06976	0.9
119.08572	8.4
121.06506	0.8
121.10125	6.8
123.08059	1.0
123.11700	1.8
125.05992	2.9
129.07007	0.4
131.08551	2.8
133.06430	0.4
133.10112	6.4
135.08057	1.5
135.11670	1.7
137.09618	1.3
137.13239	0.8
139.07547	1.8
139.11159	1.0
142.07770	0.5
143.08557	1.7
145.10101	5.4
147.08041	1.0
147.11674	4.2
149.06018	0.4
149.09616	1.7
149.13252	1.4
153.09135	0.4
155.08676	0.4
155.10625	0.5
156.09297	0.5
157.10127	3.3
159.08040	1.0
159.11697	4.9
161.09613	2.1
161.13251	2.2
163.07535	0.4
163.11159	0.6
163.14798	0.7
167.08614	0.7
169.10086	0.8
170.10915	1.0
171.11700	2.0
172.12592	0.6
173.09593	2.3
173.13246	3.1
175.07460	0.4
175.11159	4.6
175.14833	1.6
177.09088	0.4
177.12700	0.7
177.16428	1.2
182.10858	0.5
183.11684	0.5
184.12524	0.5
185.09627	0.4
185.13249	3.0
187.11139	2.7
187.14793	3.4
189.12781	1.0
189.16351	5.0
191.10660	1.3
191.14270	0.5
191.17867	0.6
195.11690	0.4
197.13242	2.2
199.11237	0.4
199.14792	2.9
201.12828	0.7
201.16396	1.2
203.14281	2.9
203.17992	0.6
205.15842	2.5
209.13239	1.2
211.14851	1.2
213.12828	0.4
213.16364	0.5
215.14310	6.5
217.15800	1.6
219.17490	0.5
221.15431	0.4
223.14844	0.8
227.14302	1.5
227.17767	0.4
229.15854	15.7
230.16673	0.6
231.13841	0.7
231.17433	1.9
233.15331	7.1
235.14880	0.4
235.16998	1.1
239.17813	0.5
243.17609	0.9
245.15369	1.0
247.16968	1.4
269.18652	0.4
275.17963	0.4
277.19464	0.4
283.20432	0.8
291.21259	0.4
295.20435	0.4
297.22256	1.1
299.20071	0.4
309.21832	0.4
321.22183	0.6
329.21454	0.6
347.23410	0.5
363.23068	0.5
375.27078	0.6
379.26233	0.4
393.27893	0.7
405.31714	0.6
409.31259	0.4
411.28751	0.4
415.29886	2.8
423.32907	0.6
433.30991	8.8
434.31750	0.5
451.32065	29.3
452.32559	0.6
469.33118	100.0
470.33258	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	469.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
55.01860	0.8
56.96529	0.7
57.03439	0.7
61.02901	1.9
65.03930	0.7
67.05499	5.9
69.03429	4.8
69.07046	2.5
69.56369	0.7
70.06569	2.2
70.61272	2.1
71.04976	1.2
73.02912	0.9
76.59333	0.6
79.01851	0.8
79.05466	2.4
80.04979	1.1
81.03398	2.6
81.07059	3.5
82.06562	0.9
83.04949	0.7
84.08102	0.9
85.02897	7.8
85.06496	0.7
91.03928	0.8
93.07016	0.9
94.06543	2.7
95.04959	7.0
95.08592	2.5
96.04483	1.4
97.02888	3.9
97.06509	2.3
98.97568	0.6
103.55172	0.6
105.07010	1.5
107.08582	0.9
109.02862	2.0
109.10148	1.3
110.06041	4.3
112.07591	1.5
113.06015	0.7
116.06163	0.7
122.06017	3.1
123.04433	7.4
124.07573	2.7
125.05978	1.4
126.09137	2.8
127.03881	2.3
133.10133	1.3
135.04385	0.9
135.11644	0.7
136.03943	1.9
136.07512	1.1
137.05952	1.6
138.05501	10.2
139.03880	3.6
140.07065	6.1
143.03391	2.0
143.08578	0.9
145.04964	1.8
145.10121	1.5
147.04430	1.3
149.81819	0.7
150.05507	8.2
151.03891	1.6
152.07040	7.3
153.01826	17.3
153.05424	0.9
154.02132	3.3
154.04939	2.1
155.02339	2.3
156.06595	0.9
160.07466	0.9
160.11217	1.7
161.09651	1.1
161.13254	1.0
162.05446	0.7
163.03865	1.0
164.03352	1.4
164.07060	0.7
166.04994	4.3
168.06511	1.1
172.11266	0.7
173.09682	0.9
174.09189	1.0
177.05463	2.6
177.07837	0.8
178.08618	1.2
178.12256	1.7
182.04453	1.1
188.10698	6.1
189.09085	1.2
190.12280	2.0
191.09363	1.6
192.10130	0.8
200.10652	1.3
201.07799	0.9
204.10316	0.9
206.08095	2.0
206.11745	9.3
216.10280	11.0
217.08641	1.3
218.11816	2.5
220.06230	0.8
230.08055	1.3
231.11273	0.8
232.09816	3.1
233.12798	1.4
234.07703	1.5
234.11244	15.0
243.11290	1.3
244.09692	20.1
245.12640	0.8
246.11293	1.1
259.08331	3.4
259.10867	4.9
260.09164	15.2
260.11780	1.1
261.12256	3.3
262.10733	40.5
263.11139	1.5
271.10550	1.3
271.19043	1.7
272.09097	3.8
277.12152	0.7
289.11804	8.7
290.10211	94.4
291.10611	1.9
297.05954	0.9
307.12866	100.0
308.13248	1.7
315.07236	0.7
325.21478	0.7
410.19568	0.9
469.18155	37.6
469.24564	1.5
470.17975	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1341
Annotation	Catechin-4-ol 3-O-beta-D-galactopyranoside
Peak:m/z	Relative Intensity
53.00297	0.4
55.01875	0.7
55.05489	0.3
56.96563	0.2
57.03406	0.5
61.02911	1.0
61.82796	0.2
63.76178	0.2
65.03916	0.8
67.05488	0.4
68.99783	0.8
69.03420	1.9
71.04984	0.3
71.59039	0.3
71.59452	0.3
73.02922	0.3
81.03406	1.0
83.01324	0.3
83.04967	0.5
83.83971	0.3
84.62250	0.2
85.02425	0.4
85.02900	5.1
85.07657	0.7
93.03421	0.4
95.04949	1.1
97.02866	1.9
99.04449	0.6
107.04967	0.9
109.02859	0.8
111.00775	0.4
111.04463	1.7
121.02878	0.5
123.04417	2.9
127.03907	2.8
131.04942	0.3
133.02869	1.4
135.04431	1.7
139.03894	100.0
140.04193	0.7
143.03368	0.4
145.02797	0.4
145.04945	0.8
147.04375	0.6
149.05963	0.4
151.03899	6.3
153.01823	3.0
153.05466	1.1
154.02127	0.8
155.02257	0.7
155.03401	0.9
159.04382	0.6
161.06073	0.3
163.03896	7.7
165.05467	0.7
167.06981	0.3
169.04950	3.1
177.05461	1.2
179.03502	0.5
181.04958	4.7
195.06535	1.0
201.05499	0.3
203.03247	0.3
205.04968	1.2
223.06064	0.3
229.05008	0.3
247.06017	0.6
283.08182	0.5
289.07043	7.7
307.08105	5.2
307.11856	0.4
307.13217	0.5
331.10492	0.5
367.51102	0.3
451.12476	0.6
451.18771	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27221	0.4
53.03942	3.7
55.01863	2.1
55.05495	1.7
57.03422	1.5
59.04985	0.5
61.02916	0.9
67.05488	0.5
69.03085	0.7
69.03429	11.3
70.75910	1.5
71.01366	0.7
71.04993	6.0
73.02931	0.5
77.47573	0.4
79.05475	0.7
81.03413	22.8
81.07043	1.9
83.04972	5.0
85.02946	2.0
91.05473	0.7
93.07059	0.5
95.04925	0.5
95.08592	0.9
98.09695	1.0
99.04452	11.3
100.07658	0.8
100.11224	0.7
103.03935	2.4
104.10749	0.6
105.07024	0.7
107.04842	0.5
109.02879	9.3
117.05511	2.1
118.06509	2.4
118.21884	0.4
123.04411	3.9
127.03889	2.8
128.07048	0.6
133.10056	0.5
135.04384	0.5
137.05937	2.1
139.03960	0.7
143.03459	0.7
145.07584	3.7
147.04396	1.1
147.09152	7.9
151.03856	0.6
153.01834	7.2
154.02150	2.7
155.02264	1.9
162.07895	0.8
163.03897	1.6
163.08647	1.3
165.05475	1.7
173.07114	10.1
175.08672	11.4
176.09267	0.5
176.83502	0.4
182.15356	1.1
184.07329	0.7
190.07333	0.4
191.08145	100.0
192.08456	1.9
198.14896	0.7
199.08694	1.0
203.08116	0.9
204.08905	1.2
205.09749	0.6
210.14912	1.2
213.10237	0.9
226.14417	0.7
227.17473	0.6
231.11218	1.1
233.09245	0.8
243.11342	1.1
271.10767	1.8
273.42227	0.5
289.11826	8.6
299.09164	1.2
305.05518	0.5
307.12872	33.0
308.13223	0.8
317.10034	0.5
325.13916	30.6
326.14172	0.4
331.12854	6.8
337.21155	0.7
349.13953	8.7
351.13559	0.4
354.23907	0.5
371.15997	1.9
389.17105	3.7
397.13882	4.9
407.17969	0.8
415.14963	11.6
433.16049	12.2
451.17151	10.8
469.34174	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3085
Annotation	2-tetradecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05507	1.4
56.05027	1.1
57.03412	0.8
57.07080	4.0
58.06601	0.7
60.07880	1.1
60.08164	19.8
67.05482	1.4
69.07047	2.2
70.24706	3.3
71.07367	6.9
71.08629	2.2
79.05476	0.9
81.07043	2.6
83.08630	0.8
85.10171	1.4
86.09703	51.1
95.08591	3.0
98.98438	2.3
104.10742	99.2
105.07089	0.8
107.08569	1.2
109.10139	1.2
119.08561	1.4
124.99075	1.4
125.00005	30.2
131.08553	1.0
163.01549	0.9
184.07336	100.0
258.11047	1.7
285.24249	2.2
450.29791	9.3
468.30927	44.8
469.32895	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	469.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46909	0.4
55.01875	0.5
57.03416	0.7
59.05010	0.4
67.05496	1.1
69.03423	1.5
69.07050	0.5
69.43752	1.9
69.44177	1.9
71.04986	0.4
79.01851	0.6
79.05482	0.6
81.03479	0.4
81.07035	0.8
83.05030	0.4
85.02908	1.5
87.04464	2.8
88.24339	0.4
91.05477	0.9
93.07024	0.5
95.04984	0.4
95.08633	0.9
97.02877	1.0
99.99217	0.5
107.08591	0.5
109.10134	0.7
111.00785	0.4
111.04433	0.6
121.10110	0.5
123.04419	6.7
125.02372	0.4
127.03951	0.5
131.04799	0.5
135.04433	0.4
135.11659	0.4
137.02341	0.4
137.05956	2.9
139.03879	1.5
143.03415	1.2
147.04401	1.4
151.03958	0.6
151.07564	0.7
153.01813	10.1
153.02985	0.7
154.02161	2.6
155.02216	2.0
155.07057	0.4
156.10245	0.4
161.05881	0.4
163.03926	0.8
163.07571	0.8
165.05411	0.7
171.02898	0.5
175.03677	1.8
175.07567	0.9
177.05482	0.9
177.09116	0.4
179.03688	0.6
179.07056	0.7
189.09122	0.4
195.74181	0.4
197.04762	3.4
208.60138	0.4
253.21629	0.4
271.22705	0.8
273.07532	2.2
289.11719	0.5
299.09030	0.5
307.12857	1.2
317.08463	7.0
331.08469	0.9
337.09030	0.9
354.73987	0.4
355.06097	1.0
373.60236	0.5
425.02042	0.4
469.13159	100.0
470.13608	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	468.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
59.49955	0.5
61.02910	0.5
69.03423	2.7
71.04995	0.7
79.01847	2.2
81.03418	5.0
85.02897	3.6
97.02882	4.2
97.91844	0.6
98.97582	0.8
101.05988	1.1
105.07011	7.2
107.01331	1.6
109.02859	4.2
116.98590	0.9
122.09667	6.4
123.04427	2.1
125.02315	2.9
127.03911	7.6
137.05943	0.7
139.03865	1.9
143.03429	5.4
144.03661	0.6
145.04993	0.8
147.04375	0.5
153.01822	100.0
154.02150	13.6
155.02269	0.8
167.07074	0.6
171.02884	10.7
206.84456	0.6
231.06560	0.6
237.02809	1.0
297.06064	5.2
303.01419	1.1
315.07065	20.1
315.10757	1.1
316.07269	0.6
468.21933	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.5
55.65437	1.2
57.03432	2.7
57.07072	26.8
59.04989	3.9
62.79054	1.3
65.03927	1.5
67.05501	74.4
69.07066	7.9
71.04984	3.1
71.08627	19.4
71.60668	1.9
71.61072	1.6
75.08971	1.4
79.05475	2.7
81.07054	23.5
83.08618	11.5
85.06538	2.6
85.10177	10.6
89.21487	1.2
91.05473	4.2
93.07039	3.9
95.08603	20.2
97.10149	5.0
98.41782	1.2
105.07049	3.2
107.08612	3.6
108.73125	1.5
109.10150	63.0
111.08065	2.2
119.08556	5.6
121.10112	2.4
123.11712	3.8
127.35365	1.5
133.10072	1.9
137.09599	2.6
137.13235	2.1
155.10680	3.3
173.11732	23.8
198.76711	1.3
200.72971	1.2
232.52029	1.6
239.23659	5.8
421.30682	1.9
467.31573	9.2
467.37332	100.0
468.37564	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	467.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.5
51.04062	0.2
53.03927	0.5
55.01859	0.3
56.15718	0.2
57.03424	0.5
61.02928	0.3
69.03082	0.2
69.03424	3.5
70.26012	1.1
79.01851	2.3
81.03410	4.2
83.34964	0.2
85.02900	4.1
87.00803	0.3
87.04437	0.2
91.05489	0.3
91.71806	0.2
97.02889	3.1
99.04449	1.0
107.01314	1.7
109.02870	4.5
109.88956	0.2
117.05464	0.8
119.04915	0.5
123.04431	0.4
125.02344	4.4
127.03905	7.1
134.05986	0.2
136.07567	0.7
139.03871	0.2
143.03377	5.3
145.04967	0.5
149.02328	0.4
153.01817	100.0
154.02148	0.6
171.02882	10.3
173.56438	0.2
216.72131	0.2
225.47197	0.3
231.06491	0.4
252.77161	0.2
267.09570	0.2
277.03540	0.2
279.04816	0.8
297.06012	4.2
305.06473	0.5
315.07077	13.1
411.99878	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.9
55.05505	13.6
57.07060	4.0
67.05501	23.2
69.03416	4.1
69.06780	1.6
69.07064	18.9
71.04967	5.7
73.02910	1.4
73.45277	1.7
79.01850	3.7
79.05503	11.1
80.30207	1.5
81.03410	4.0
81.07052	40.9
83.04958	7.1
83.08607	8.5
85.06497	2.1
91.05471	11.6
93.07036	14.1
95.04965	2.8
95.08604	35.7
97.02869	2.6
97.06515	4.5
97.10176	2.7
99.04427	4.1
99.08086	2.2
105.04507	1.6
105.07033	13.9
107.04921	1.9
107.08581	14.4
109.02875	2.8
109.06492	4.0
109.10145	15.1
111.08064	2.2
111.11685	1.6
113.06001	1.8
117.06950	2.4
119.08553	12.1
121.06476	2.8
121.10184	9.0
123.04413	2.9
123.08006	3.5
123.11700	8.0
125.02352	3.1
125.06005	3.4
127.03910	7.9
129.06946	2.1
131.08629	3.7
133.10129	9.0
135.11705	9.2
137.05992	3.9
137.09616	2.4
137.13245	5.4
139.03879	9.4
143.03352	7.0
143.08539	2.9
145.10104	3.6
147.08037	1.9
147.11674	5.1
149.13237	6.5
151.14799	2.2
153.01814	100.0
153.02798	3.6
154.02151	5.1
157.10123	3.9
159.11693	3.0
161.09654	2.6
161.13255	11.5
163.10999	1.8
165.12822	1.9
169.10014	2.0
171.11656	2.7
173.13313	2.2
175.11153	5.0
177.05357	1.8
179.14299	6.2
187.07513	4.1
187.14844	2.7
199.14752	2.6
213.16428	2.1
253.17970	7.9
253.34790	1.8
271.19131	2.9
275.16364	1.7
331.22650	1.8
356.68936	1.7
367.30066	2.1
395.29272	1.8
413.30493	22.7
431.31680	12.4
443.78320	1.9
449.31784	5.0
467.31641	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	467.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
53.03934	0.3
55.01851	0.9
55.05482	0.3
65.03924	0.9
67.05518	0.4
68.99780	0.8
69.03409	0.6
70.24821	1.0
77.03921	0.4
79.01816	0.5
79.05444	0.3
80.98196	0.2
83.04958	0.7
85.02885	0.4
89.03925	1.8
93.03384	0.5
95.04962	0.8
97.02899	0.3
105.03371	0.6
111.04432	3.3
117.03382	4.9
123.04420	45.6
125.02328	0.3
134.03564	0.5
135.04370	0.4
137.05995	0.3
139.03893	100.0
139.87512	0.3
140.04210	0.8
143.03377	0.8
145.02835	10.9
147.04405	1.5
149.05969	1.7
151.03894	7.2
153.01826	13.4
153.02837	0.5
161.05986	0.4
162.78278	0.3
163.03880	0.5
165.05496	0.4
177.05463	24.1
186.05571	0.5
189.05496	1.0
231.06509	0.8
255.06412	0.5
273.07565	6.3
360.10110	0.3
362.30814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1182
Annotation	(2S,3S)-Taxifolin 3-glucoside
Peak:m/z	Relative Intensity
51.02372	0.8
52.43790	0.4
55.01868	0.3
57.03426	0.4
69.03426	1.9
69.95953	1.0
69.96367	0.5
79.01846	5.3
79.05479	0.3
80.18761	0.3
81.03407	1.8
85.02901	1.9
86.61475	0.3
91.05454	0.3
97.02876	2.9
98.20830	0.3
107.01315	1.4
109.02885	1.5
115.05470	0.4
123.04443	0.4
124.07620	0.3
125.02335	3.4
126.39929	0.3
127.03899	3.5
131.04961	0.3
133.02946	0.3
135.04350	0.3
136.07581	1.0
143.03384	8.5
145.06480	0.4
147.04475	0.3
152.07051	0.4
153.01817	100.0
153.02789	3.8
154.02179	1.6
157.02924	0.3
161.05992	0.4
163.03882	0.5
164.07036	1.7
164.98509	0.3
171.02895	2.2
173.05981	0.4
178.06340	0.3
178.62364	0.3
185.02330	0.6
186.03101	0.8
189.05382	0.6
190.06253	0.4
191.03398	1.0
199.03900	0.7
201.05481	0.7
202.02576	2.6
203.03362	1.6
205.04951	0.4
206.05754	0.8
213.01836	1.7
214.02574	2.5
215.03308	0.5
216.04149	0.4
217.04996	0.7
218.05644	0.3
219.02917	0.9
227.03372	0.7
229.04910	4.1
230.02116	4.6
230.05621	0.4
231.02872	11.4
233.04459	0.6
234.05235	0.9
237.03864	0.6
240.16229	0.3
241.01317	7.8
243.03059	0.4
243.06578	0.4
244.03693	1.0
245.04469	5.2
246.05208	10.9
247.02429	1.0
256.10638	0.3
257.00861	0.3
257.11029	0.4
258.01605	1.1
259.05768	0.3
261.04062	0.6
262.04718	1.0
269.12820	0.4
272.03195	0.7
273.03915	17.8
274.04553	1.1
275.01883	2.1
279.04886	0.4
287.13901	0.5
290.04193	13.4
297.06030	1.4
303.04980	0.7
304.05371	0.6
305.06531	89.5
306.06851	1.0
306.14911	0.3
315.04929	0.7
329.06656	0.4
449.07333	0.5
467.08951	0.5
467.15250	0.9
467.23544	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1182
Annotation	3,4,2',4',6',beta-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
55.01848	0.7
57.03411	0.7
67.01841	0.8
68.99764	0.9
69.03435	2.2
71.08983	0.8
71.09344	1.0
79.01855	3.9
81.03410	2.7
85.02894	3.5
95.04943	1.0
97.02901	2.6
107.01307	1.0
108.11939	0.5
109.02856	1.2
111.04445	1.7
111.52427	0.5
121.02852	2.7
123.04424	21.3
125.02360	2.6
127.03923	4.5
133.02838	0.7
135.04410	0.7
137.02341	1.1
139.03874	2.0
141.60931	0.5
143.03392	6.4
147.04439	0.7
149.02332	22.7
150.03087	1.1
151.03882	1.5
153.01822	100.0
154.02197	1.4
157.06500	1.1
161.02341	1.6
163.03897	1.5
165.01791	1.0
167.03419	3.5
171.02852	2.0
173.02376	0.6
175.03937	0.5
177.01820	1.0
179.03369	1.8
183.02922	1.5
185.05988	2.5
191.03436	0.8
195.02885	9.5
203.03336	0.7
213.05469	3.9
219.02911	0.9
231.02896	1.1
231.06512	16.2
241.04971	2.0
249.03955	1.0
255.06598	0.8
258.05295	0.8
259.06000	17.6
261.03702	0.6
271.05896	0.5
277.03491	1.6
278.03735	1.0
279.04202	1.7
287.05484	10.3
297.06180	1.6
301.07098	1.2
305.06543	28.2
305.14767	0.9
317.06378	1.0
325.07068	0.6
329.06519	1.4
333.95975	0.5
347.07520	1.4
371.07742	1.1
383.07663	0.7
395.07452	0.6
431.09991	0.6
467.14874	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.6
52.43795	0.3
53.03937	0.3
55.01873	0.3
69.03419	2.2
70.84894	0.5
79.01852	6.1
79.05511	0.3
81.03410	1.5
85.02900	1.1
95.04984	0.3
97.02899	3.1
107.01331	1.4
107.04918	0.3
109.02879	1.2
115.05473	0.6
123.04433	0.4
125.02345	4.2
127.03928	3.5
130.69885	0.3
136.07565	0.5
139.03996	0.4
143.03394	8.1
147.04407	0.4
153.01823	100.0
153.02802	3.7
154.02197	1.0
157.02838	0.3
159.04454	0.4
163.03902	0.5
164.07080	0.6
171.02885	2.5
171.04266	0.5
173.06013	0.3
174.03093	0.4
175.03836	0.3
183.04401	0.3
185.02385	0.5
186.03136	0.8
191.03368	1.2
194.71883	0.3
199.03900	0.6
201.05481	1.1
202.02615	1.6
203.03508	1.5
205.04941	0.4
206.05751	0.8
207.02882	0.3
213.01906	1.3
213.03769	0.3
214.02628	2.0
215.03331	0.5
216.04097	0.3
217.04997	1.1
219.02812	1.1
227.03400	1.0
229.01515	0.4
229.04958	4.6
230.02095	4.1
231.02878	12.2
232.03239	0.3
233.04445	0.6
234.05193	0.9
237.03986	0.6
241.01314	7.5
243.06670	0.4
244.03642	1.5
245.04456	5.0
246.05231	11.1
247.02397	1.3
247.05382	0.4
257.11227	0.5
258.01569	0.9
259.02441	0.4
261.03946	0.8
262.04724	1.0
272.03162	0.7
273.03934	15.0
274.04639	1.0
275.01917	2.0
279.05005	0.5
287.05444	0.3
287.13779	0.3
290.00964	0.6
290.04202	11.3
295.53323	0.3
297.06091	1.7
300.02521	0.3
303.05014	0.9
304.05356	0.4
305.06546	79.5
306.06808	0.9
315.05023	0.9
347.07541	0.5
449.07135	1.1
467.08530	0.5
467.15158	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.3
50.76118	0.3
51.02385	0.6
53.03942	0.3
69.03423	1.7
71.04993	0.3
71.59138	0.5
74.22278	0.2
79.01393	0.4
79.01852	5.0
81.03407	1.8
81.14375	0.3
84.79346	0.3
85.02884	1.1
97.02896	2.6
107.01305	1.1
109.02910	1.2
115.05455	0.3
125.02333	4.1
127.03915	3.7
136.07567	0.5
143.03394	8.1
147.04378	0.3
153.01825	100.0
154.02179	0.6
157.02892	0.4
161.05997	0.3
163.03914	0.5
164.07040	0.7
167.07042	0.3
171.02905	2.3
171.04311	0.4
173.05988	0.3
174.03145	0.3
183.04362	0.3
185.02290	0.3
186.03099	0.8
190.06244	0.4
191.03389	1.0
199.03796	0.4
200.04739	0.3
201.05457	0.8
202.02657	1.9
203.03384	1.1
205.04997	0.4
206.05748	1.0
213.01874	1.5
213.03777	0.4
214.02602	2.3
215.03374	0.3
217.04932	1.0
219.02847	1.4
220.51788	0.3
227.03343	0.9
229.04964	3.1
230.02086	3.9
231.02876	12.1
233.04457	0.5
234.05295	0.4
237.03850	0.6
241.01309	6.4
244.03700	1.2
245.04437	4.9
246.05228	10.1
247.02426	0.7
258.01663	1.0
259.02313	0.4
259.05911	0.3
261.04062	0.3
262.04697	0.8
272.03162	0.6
273.03934	15.4
274.04684	0.9
275.01846	2.1
279.05023	0.4
290.04190	10.6
297.06134	2.1
303.04932	0.8
304.05328	0.6
305.06543	78.7
306.06897	0.7
315.04959	0.6
329.06430	0.3
427.65216	0.3
449.07092	0.6
467.08572	0.6
467.15149	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.2
51.02376	0.5
53.00300	0.1
53.03934	0.2
55.01862	0.3
55.05499	0.2
59.05008	0.1
67.05494	0.4
69.03425	1.1
69.07063	0.3
70.49723	0.4
71.04964	0.1
71.08625	0.3
73.02907	0.2
79.01392	0.3
79.01853	4.9
79.05482	0.3
81.02978	0.2
81.03415	2.7
81.07050	0.6
85.02907	0.6
87.00859	0.1
91.05489	0.3
93.07040	0.4
95.04937	0.2
95.08636	0.5
97.02886	2.2
97.06537	0.2
97.10141	0.2
99.04453	0.3
99.08093	0.7
105.07021	0.3
107.01315	1.4
107.04965	0.3
107.08572	0.6
109.02875	1.3
109.06522	0.2
109.10153	0.3
111.04424	0.2
119.04948	0.1
119.08540	0.3
121.10138	0.1
123.00785	0.2
123.04404	1.2
125.02342	4.0
125.09629	0.1
127.03909	2.3
135.04376	0.3
135.11688	0.2
136.07504	0.2
137.05959	1.0
139.03870	1.3
143.03392	8.3
145.02878	0.2
147.04405	0.4
151.03914	0.3
153.01822	100.0
153.02771	3.6
154.02130	0.7
154.07695	0.1
163.03903	0.4
171.02892	1.7
173.15387	0.4
177.05515	0.4
179.07043	0.1
183.02856	0.1
191.03339	0.6
203.07141	0.1
213.03969	0.4
233.04451	0.2
237.03917	0.3
273.07562	0.1
279.04971	0.3
297.06006	1.6
305.24823	0.1
309.07242	0.1
315.07693	0.1
343.07843	0.1
449.06943	0.3
467.08286	1.4
467.17914	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.2
51.02359	0.5
53.03926	0.2
55.01862	0.3
57.03436	0.1
59.94709	0.1
61.24313	0.1
65.03539	0.1
68.99786	0.1
69.03069	0.2
69.03425	2.7
71.59934	0.1
79.01846	4.3
81.03405	0.8
85.02900	0.9
97.02878	1.2
98.21224	0.1
99.04454	0.3
107.01311	1.0
109.02898	0.6
123.00751	0.3
125.02335	3.6
127.03905	3.9
136.07574	0.3
139.03920	0.2
143.03386	6.7
146.90344	0.1
150.07893	0.1
152.07071	0.1
153.01817	100.0
153.02780	3.7
154.02132	0.8
162.24434	0.1
163.03889	0.2
164.07091	0.2
171.02911	0.4
191.03325	0.4
195.02855	0.3
205.04842	0.2
209.04483	0.2
213.03903	0.5
219.02922	0.1
229.04932	0.2
230.02159	0.3
231.02840	0.6
233.04408	0.2
237.03972	1.1
241.01337	0.5
245.04527	0.3
246.05328	0.6
261.03870	0.3
269.12973	0.2
273.03885	0.7
279.04950	1.0
290.04211	0.6
297.06091	1.0
305.06512	4.7
386.45184	0.1
449.07123	1.2
467.08170	1.0
467.14124	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.3
51.02384	0.6
55.01866	0.3
67.05489	0.3
69.03426	2.9
69.51966	0.5
69.52391	0.8
70.06573	0.2
74.70171	0.1
79.01851	4.7
79.05507	0.2
81.03410	1.1
81.07034	0.4
82.07355	0.1
82.62785	0.1
85.02888	0.5
91.05479	0.3
95.04958	0.2
95.08678	0.2
97.02881	1.3
99.04451	0.2
101.77593	0.1
105.07011	0.2
107.01302	1.1
107.08582	0.2
109.02859	0.7
109.10207	0.2
119.04952	0.3
119.25885	0.1
123.00790	0.2
123.04414	1.2
125.02350	3.5
127.02962	0.2
127.03912	4.6
137.05992	0.6
139.03874	0.8
143.03392	7.7
147.04414	0.6
151.03912	0.5
153.01822	100.0
154.02122	0.8
161.06007	0.2
163.03932	0.4
171.02905	0.6
177.05420	0.3
183.02994	0.2
191.03377	1.4
195.02901	0.4
203.03282	0.2
205.04903	0.3
213.04028	0.7
237.03975	0.8
256.98123	0.2
261.04056	0.3
273.07431	0.2
279.04965	1.3
297.06055	1.0
303.04971	0.2
315.08627	0.2
327.08521	0.3
343.07977	0.3
449.06879	0.8
449.21378	0.3
467.08331	1.5
467.18756	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
55.01862	1.5
57.03432	3.7
61.02915	2.9
67.05489	1.5
68.34819	0.5
69.03422	9.0
70.15513	1.8
70.15922	1.2
71.01354	0.6
71.04992	0.7
72.02246	0.5
73.02914	15.3
79.01871	0.6
79.05493	5.0
81.03421	2.1
81.07050	100.0
85.02897	23.0
85.03421	0.8
87.04462	1.2
93.07059	0.6
95.08599	8.8
97.02888	15.8
99.04446	1.2
100.10754	0.5
103.03935	1.0
107.08623	0.7
109.02885	2.0
109.10186	0.7
115.03920	6.2
115.33112	0.6
116.18309	0.5
119.08627	0.6
123.04448	1.0
125.02357	0.6
127.03915	8.4
133.04951	11.6
137.13242	33.3
138.13609	0.6
143.03432	1.0
144.26709	0.6
145.04945	11.3
150.07611	0.9
153.01813	19.9
154.15883	0.6
163.05991	9.3
181.06966	0.7
217.07111	0.6
223.06049	2.2
228.18474	0.6
241.07043	3.6
259.08109	9.3
267.21066	0.8
268.21448	1.6
269.17572	0.6
277.09250	1.8
285.22125	1.3
286.22498	4.2
295.10184	6.1
298.14105	0.5
317.19620	1.8
330.13824	0.5
360.47559	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	5.9
58.06564	1.5
65.03918	1.3
68.05006	0.4
69.07020	0.4
70.06586	14.1
70.14617	1.9
71.08614	2.3
81.44423	0.4
85.10150	0.5
88.07625	15.2
90.09235	0.5
91.05427	0.7
95.04980	0.4
98.20897	0.5
102.09165	12.5
103.01778	0.4
121.02844	0.8
132.10181	0.4
139.03844	1.7
149.02328	43.0
149.03387	1.5
153.01805	1.3
189.54901	0.4
193.04944	45.8
194.05269	0.8
205.83345	0.4
212.23613	0.7
237.07550	60.1
238.07820	0.9
256.26324	42.1
257.26605	0.9
300.28909	1.6
457.10675	0.4
466.31607	100.0
467.31992	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.7
53.03934	1.0
55.01859	1.3
55.05500	2.0
57.03434	2.4
57.07067	0.5
61.02912	1.5
65.03915	0.5
67.05495	5.6
68.99805	0.4
69.03420	4.9
69.07073	2.8
70.74509	1.4
71.04979	1.5
73.02911	5.8
78.80732	0.5
79.01847	5.1
79.05484	3.3
81.03416	3.2
81.06577	0.9
81.07054	15.6
83.04990	0.9
83.08607	2.0
84.04505	0.5
85.02900	7.9
85.06532	0.6
87.04476	1.0
91.03931	0.6
91.05467	1.7
93.07033	5.4
95.04951	1.3
95.08604	5.2
96.08969	0.4
97.02888	6.6
97.06501	1.1
97.10164	0.6
97.78391	0.5
99.04443	0.7
99.08089	0.9
100.11256	1.7
105.07019	1.6
107.01309	1.0
107.04961	2.0
107.08576	3.5
108.09074	0.5
109.02861	1.8
109.06430	0.6
109.10147	1.2
111.04430	0.7
111.08057	0.7
111.11710	0.6
115.03918	3.3
117.07008	0.6
119.08571	1.4
121.06495	0.9
121.10126	1.5
123.04410	2.9
123.11696	1.1
125.02341	4.0
127.03916	4.7
128.07066	0.5
131.08551	1.4
133.04964	2.4
133.10127	2.6
135.11700	1.9
137.05951	0.8
137.13264	3.6
139.03920	1.5
143.03378	8.8
145.04944	3.1
147.04416	1.3
149.05910	0.7
149.13234	2.5
150.07663	0.5
151.03900	3.3
153.01817	100.0
153.02795	3.8
154.12271	0.6
155.14343	0.7
159.11684	3.4
161.05962	0.5
163.03922	0.9
163.06007	1.3
165.05464	0.6
167.07054	1.5
171.02896	1.1
177.12706	4.1
179.03397	1.4
179.14282	2.2
182.15411	1.2
191.07069	0.7
193.05025	0.5
193.08531	1.3
195.13780	1.7
210.14857	0.5
213.04022	0.5
213.74362	0.5
222.82234	0.5
223.06004	1.0
224.07144	1.7
251.16414	1.8
259.08139	1.0
269.17474	14.0
281.18195	0.5
287.09186	1.7
295.09976	0.5
297.06021	1.6
298.15704	0.4
304.05411	0.8
314.10226	1.7
319.04413	0.6
320.04916	0.9
331.11621	1.4
466.35391	0.8
467.08090	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01873	1.1
55.05519	2.3
57.03433	4.5
57.07072	1.4
59.04987	0.4
61.02912	3.0
63.53754	0.4
66.37115	0.4
66.39745	0.5
67.05167	0.9
67.05502	10.9
67.15648	0.4
69.03427	4.7
69.07062	4.6
70.26450	2.4
71.01355	0.7
71.04989	1.4
73.02510	0.5
73.02917	10.1
79.01842	1.6
79.05487	10.4
81.03429	1.2
81.07052	100.0
82.07384	0.8
83.04977	1.7
83.08607	2.6
85.02422	0.9
85.02903	11.6
85.06541	0.9
87.04458	0.6
91.03968	0.9
91.05488	2.4
93.07041	9.9
95.04986	1.2
95.08601	13.8
97.02882	9.3
97.06535	2.1
97.10133	0.6
99.04472	1.1
99.08092	0.9
105.07048	1.6
107.01351	0.7
107.04958	2.0
107.08595	6.0
109.02886	1.6
109.10152	1.4
111.04447	0.5
111.08071	1.8
115.03929	4.2
117.06999	1.0
119.08608	0.5
121.10125	4.1
123.04420	1.4
125.02363	1.8
127.03909	4.6
131.08559	1.5
133.04956	4.7
133.10156	1.4
135.11714	1.9
137.13246	25.0
139.03934	1.2
143.03392	2.5
145.04950	5.9
149.06067	0.6
149.13246	9.0
151.03885	2.8
153.01820	32.9
159.11646	3.0
161.06035	0.8
163.06024	2.8
167.07030	0.9
167.28098	0.6
172.59932	0.5
177.12746	3.2
181.04930	0.5
181.22285	0.5
183.02863	0.6
193.04971	0.6
193.08603	1.0
195.13783	3.1
213.14894	0.5
223.06129	1.2
229.05219	0.5
241.07057	1.6
259.08112	1.4
269.17465	60.0
270.17847	1.0
287.09235	2.0
287.68326	0.6
295.10193	0.7
312.45853	0.5
406.48303	0.7
431.22467	0.8
473.09012	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.4
50.41744	0.4
51.02383	0.7
53.03940	1.1
55.01865	1.0
55.05510	1.4
57.03436	3.7
57.07069	1.2
58.72088	0.4
59.05014	0.5
61.02912	2.1
65.03951	0.6
67.05499	6.4
69.03423	12.4
69.07056	3.9
69.95876	2.1
71.04982	1.0
73.02505	0.5
73.02911	8.5
79.01842	5.1
79.05054	0.6
79.05486	8.3
81.03415	4.0
81.07049	94.2
83.04962	0.5
83.08597	1.2
85.02895	16.7
85.06519	0.5
87.04457	5.8
91.03960	0.4
91.05461	2.0
93.07045	3.3
95.04987	1.0
95.08598	16.7
97.02276	0.9
97.02885	14.2
97.03516	0.9
97.06505	0.6
99.04472	1.0
100.11243	0.4
105.07030	1.4
107.01307	0.8
107.04935	0.9
107.08568	2.1
109.02876	2.4
109.06515	0.9
109.10155	1.5
111.08079	1.4
111.11706	1.2
115.03918	13.0
119.04867	0.6
119.08542	1.0
121.10134	1.4
123.04414	2.7
123.08092	0.5
123.11761	0.8
125.02341	5.1
127.03915	7.0
129.06870	0.5
131.08539	1.4
133.04961	13.8
133.10127	1.0
135.04362	0.8
135.07993	0.7
135.11716	0.6
137.05966	0.6
137.13243	23.5
139.03894	2.4
143.03383	7.8
145.04941	7.5
145.10185	0.4
147.04369	1.0
147.11667	0.8
149.13243	1.4
150.07593	1.8
151.03889	0.6
153.01816	100.0
153.09119	1.7
153.12807	0.5
155.14297	0.7
159.11679	1.9
159.47919	0.4
161.13257	0.5
163.03883	0.7
163.05983	2.6
171.02843	1.4
171.10138	0.5
176.15155	0.6
177.05362	0.8
177.12747	2.2
179.14322	1.3
180.91461	0.5
181.32794	0.5
195.13771	1.4
223.06017	1.4
228.44672	0.4
241.07088	1.3
251.16446	1.0
259.08118	3.0
267.21115	0.7
268.21405	2.1
269.17487	7.3
277.09039	0.9
279.05011	0.7
285.22034	0.6
286.22504	2.3
295.10217	2.0
297.05997	1.6
304.23483	0.7
320.04776	0.8
449.06735	0.7
466.30707	0.9
466.81769	0.5
467.07996	1.4
467.15121	0.6
482.45148	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.3
55.01862	1.2
55.15377	0.9
57.03416	2.3
60.04511	1.1
67.87234	0.7
68.99802	0.7
69.03429	11.8
71.04978	1.2
71.58478	1.3
72.08185	0.9
73.02894	1.2
79.01836	2.3
81.03410	7.3
85.02895	9.7
87.04465	5.7
87.41974	0.7
89.02409	0.8
89.43293	0.8
95.04942	1.1
97.02885	12.2
99.04441	3.8
107.01331	1.4
107.04916	2.5
109.02856	5.0
111.04378	0.9
115.03924	8.6
121.02856	0.8
123.04432	6.3
124.04759	2.4
125.02324	2.9
127.03072	0.9
127.03917	10.2
133.04945	11.6
135.79179	0.8
137.02324	5.1
137.05959	1.0
139.03949	2.1
143.03391	3.8
145.04964	1.2
147.04413	1.4
150.07582	3.1
153.01816	100.0
154.02119	1.3
155.03383	8.0
158.08115	0.9
167.06967	1.0
171.02867	12.7
179.03351	0.9
183.02856	1.8
188.04318	0.9
211.89740	0.9
231.02820	1.5
232.03238	2.4
259.02286	2.2
260.02744	4.0
277.03442	7.0
278.03696	12.0
287.05536	1.4
297.06049	9.9
303.01270	1.6
304.01669	3.8
315.07080	23.6
466.06683	1.2
470.71155	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.1
55.01861	1.4
55.05493	3.0
57.03429	4.9
61.02930	4.7
67.05511	3.9
69.03425	11.1
69.07060	4.6
70.06590	11.4
71.04996	4.0
71.40459	1.8
72.08157	8.0
73.02917	5.8
79.05493	4.5
81.03402	5.8
81.07053	41.6
83.01360	0.9
83.08588	1.3
85.02900	38.4
86.09711	5.9
87.04462	2.2
91.03954	2.4
91.05473	4.7
93.07041	6.9
93.35480	0.7
95.04955	2.1
95.08609	9.8
97.02898	15.6
97.06506	0.9
99.04443	2.2
105.07024	9.2
107.04948	3.0
107.08597	7.3
109.02872	3.8
109.06506	1.1
109.10159	5.5
115.03920	2.3
117.07016	3.5
118.06520	1.3
119.04960	3.3
119.08571	10.4
120.08125	0.9
121.06454	1.8
121.10139	8.7
123.04424	5.9
123.08063	0.9
123.11706	1.7
127.03913	10.0
129.07005	2.2
131.08578	4.9
133.04985	3.9
133.06505	1.6
133.10127	4.7
135.04411	1.1
135.06853	1.0
135.08040	5.1
135.11668	3.0
136.07568	3.7
136.08650	0.7
137.05997	1.4
137.13254	10.5
139.03920	1.0
141.06973	1.6
142.07765	1.0
143.08539	3.3
144.09344	1.1
145.04929	8.1
145.10107	9.2
146.06006	2.7
147.04396	5.2
147.11646	2.5
147.68077	0.9
148.04691	1.3
149.09630	1.1
149.13196	1.5
151.03915	1.7
153.01816	2.2
154.07732	0.8
155.08545	4.4
156.09274	1.6
157.10104	8.2
159.11720	6.3
161.05969	1.7
161.09639	5.1
161.13284	4.2
163.03860	3.1
163.05991	2.5
165.05461	2.5
167.07066	1.0
169.10110	4.4
171.11711	7.4
173.09601	2.7
173.13232	5.2
175.11205	2.1
175.14850	1.6
177.12848	1.0
181.10074	1.0
182.08134	2.8
182.10883	1.7
183.11652	5.7
183.14830	0.9
184.12460	1.4
185.13269	5.2
187.11191	7.2
187.14825	4.2
189.09093	1.0
189.12779	1.8
193.08484	1.2
195.11678	0.8
196.12480	0.8
197.13249	8.8
198.13998	1.2
199.14851	1.8
201.12764	1.2
201.16347	1.1
203.14247	0.9
205.05087	0.9
209.13403	1.3
211.14717	7.9
212.15546	1.2
213.16370	2.5
215.14346	1.5
217.13483	0.8
217.15790	1.0
221.00699	1.0
223.14771	1.3
224.15604	0.9
224.70665	0.9
225.16383	6.0
226.17076	1.1
227.17949	20.2
229.16019	1.2
229.19547	1.0
231.14911	0.9
239.18015	4.3
241.19505	1.0
243.11217	1.4
245.19017	3.3
252.18561	1.0
257.08051	1.6
257.18954	3.9
257.22562	1.6
259.08099	2.5
259.14410	1.8
267.06598	1.0
267.21060	53.7
269.22791	1.1
277.03470	1.9
285.07568	3.3
285.22110	100.0
286.22452	1.8
295.10242	2.3
303.01508	1.3
303.04959	2.5
303.08545	1.0
303.13208	1.1
303.23151	15.9
313.18246	0.9
319.04501	5.0
356.19672	1.0
360.20892	0.9
447.27322	3.8
465.21640	2.7
465.28531	3.5
475.52063	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01849	1.7
55.05515	3.2
56.45859	0.5
57.03444	3.0
57.14516	0.6
61.02918	3.9
67.05515	3.1
68.99766	0.6
69.03427	9.8
69.07068	3.8
69.07383	0.9
70.72211	0.6
70.72543	1.4
71.04987	3.6
73.02898	1.9
79.05489	3.2
81.03410	4.6
81.07052	7.9
83.04976	1.1
83.08620	2.7
85.02899	28.0
85.06536	0.8
86.09698	1.5
87.04446	2.1
91.03946	1.6
91.05466	3.4
93.07045	7.2
95.04959	1.2
95.08600	9.1
97.02882	9.0
97.06528	0.8
97.10153	1.1
99.04430	1.6
105.07026	8.4
107.04951	1.7
107.08581	8.0
109.02860	3.1
109.06482	0.6
109.10166	4.2
111.00806	0.5
111.04369	1.1
117.07008	2.3
119.04889	0.7
119.08580	10.8
121.06510	1.4
121.10122	6.8
123.04419	11.0
123.08058	1.0
123.11697	1.2
124.99978	0.5
125.09548	0.7
127.03888	5.2
128.06154	0.8
129.06987	2.2
131.08575	5.6
133.10138	5.0
135.04353	1.3
135.08046	7.9
135.11684	3.9
137.09573	0.6
137.13188	0.7
139.03903	4.9
141.06992	1.6
142.07784	1.2
143.08582	3.8
145.04956	5.8
145.06081	0.7
145.10107	7.7
147.04387	2.9
147.08043	0.6
147.11644	3.0
149.09625	1.5
149.13226	1.3
151.03879	2.3
151.07549	0.7
153.01802	2.3
155.08517	4.8
156.09300	1.6
157.10107	10.7
159.11676	6.1
161.05927	0.6
161.09608	8.4
161.13246	3.5
163.03896	1.7
163.11195	1.5
165.05524	0.8
167.08504	0.9
168.09343	1.2
169.10089	7.8
171.11665	6.7
173.09642	3.2
173.13266	3.8
175.11160	2.4
175.14780	2.0
177.05431	0.8
177.12747	1.1
182.10925	1.6
183.11650	5.5
184.07353	4.6
184.12442	2.9
185.07643	1.5
185.13243	5.6
187.11177	5.5
187.14760	3.8
189.12761	1.4
189.16348	0.7
191.03317	0.8
191.06943	1.1
193.12248	2.9
195.11703	1.1
195.13672	0.6
196.12498	1.0
197.13271	9.2
198.13992	1.0
199.14813	2.2
201.12706	2.0
201.16354	1.3
203.14246	0.7
209.13274	1.9
211.14809	6.1
212.15579	1.0
213.16360	1.6
215.14270	1.2
215.18039	0.9
223.14914	0.9
224.15578	6.3
225.16368	5.4
227.17940	19.8
228.18428	0.7
229.15840	1.3
229.19424	1.5
233.09195	1.2
233.80420	0.5
236.85278	0.7
237.16354	1.1
239.17950	8.4
241.19398	0.7
242.16576	0.9
243.11670	0.7
245.18942	1.5
252.18610	0.7
257.12036	0.7
257.18997	8.5
257.22397	1.2
267.21060	54.1
268.21426	1.4
269.17474	2.1
269.22485	1.3
273.07568	5.1
277.03424	2.3
285.07608	1.4
285.22107	100.0
286.22397	2.2
303.01685	1.0
303.04950	4.0
303.08484	1.0
303.13309	1.8
303.23138	11.9
313.17892	2.3
319.04507	4.4
447.27487	1.9
465.18018	1.8
465.28601	2.4
491.98843	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01860	4.5
55.05505	22.5
57.03439	15.0
57.07063	2.0
64.09314	1.1
65.03918	2.4
67.05502	52.9
69.03420	5.3
69.07061	14.7
69.86817	6.2
71.01348	3.7
71.04991	9.0
79.05489	50.8
81.03414	46.9
81.07054	41.3
83.04973	15.7
83.08610	14.5
85.02904	21.4
85.06539	4.8
91.05476	45.4
91.05898	0.7
93.07038	55.4
95.04964	41.5
95.08592	17.0
97.02872	1.8
97.06531	13.4
97.10170	12.6
98.20846	1.5
99.04490	1.2
99.08067	2.1
103.05453	1.6
105.04503	1.3
105.06306	1.5
105.07021	25.1
107.04950	9.2
107.08585	33.5
109.02869	1.0
109.06503	6.0
109.10152	8.8
111.04440	2.6
111.08085	8.2
113.05981	1.2
115.05454	1.9
117.07012	8.4
119.08572	19.7
121.06495	3.6
121.10133	13.7
123.04402	2.8
123.08080	3.2
123.11687	2.8
125.09624	3.5
129.06999	9.8
131.08572	11.0
133.06464	3.5
133.10112	12.1
135.08049	2.6
135.11678	37.6
137.05986	1.3
137.09599	3.0
141.06984	1.2
142.07776	2.7
143.08524	2.3
145.10120	10.3
147.08078	2.7
147.11707	11.7
149.09604	4.0
149.13280	2.1
151.03876	1.2
151.11113	1.4
153.01816	1.8
157.10138	9.8
159.11713	2.1
161.09592	1.6
163.11218	6.9
165.12784	2.1
171.10213	1.0
171.11607	1.5
175.11171	9.7
177.12773	1.4
181.12183	8.0
187.07549	1.3
187.11232	1.7
189.11232	2.1
193.12234	41.2
199.13345	1.2
203.10745	1.3
211.13280	51.7
223.13307	1.3
237.14803	1.2
249.14935	2.6
255.15953	9.7
261.15030	1.2
267.15894	10.0
303.05023	1.8
303.08496	2.1
319.04526	3.5
329.21082	6.7
347.22235	2.3
355.22754	3.1
373.23740	9.1
403.24792	4.8
414.06268	1.2
421.25772	6.0
447.27454	16.5
465.28470	100.0
466.28381	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.8
55.05508	18.0
57.03191	0.6
57.03437	7.0
57.07074	7.6
67.05499	6.9
69.07066	22.6
70.77997	0.8
70.78374	1.1
71.04949	0.8
71.08635	4.8
73.02916	5.7
73.35910	0.5
75.04490	0.7
76.92992	0.5
79.05487	4.0
81.07049	7.3
83.04977	0.7
83.08616	20.8
84.08991	0.4
85.10165	2.2
85.58902	0.5
91.05465	1.3
93.07039	4.3
95.04972	0.9
95.08611	5.6
97.06532	2.3
97.10169	11.9
98.98461	49.2
100.80187	0.5
105.07018	0.9
107.08579	3.7
107.09251	0.6
109.10140	2.2
111.08063	1.2
111.11713	3.0
116.99486	2.0
121.10130	6.8
123.11684	0.7
125.13227	0.7
129.05476	2.4
135.11690	3.7
136.99954	2.7
137.84938	0.5
141.12708	0.6
149.13222	1.7
155.01035	44.5
193.02582	1.0
211.03674	1.5
219.21086	1.4
229.04773	3.7
237.22119	8.2
245.77757	0.6
311.25787	100.0
312.26031	2.2
319.04379	0.5
362.56961	0.5
391.22256	0.8
447.25012	19.5
447.31174	1.1
448.25354	1.0
465.30029	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.7
53.03935	1.9
55.01863	2.3
55.05502	2.2
55.99312	0.9
57.03435	9.4
57.91772	0.8
59.04988	2.3
61.02916	3.3
67.05478	1.8
68.99791	2.2
69.03429	10.4
69.07071	3.8
69.36819	1.9
69.37234	6.0
70.06580	1.2
71.01358	1.1
71.04990	38.3
71.18337	0.7
73.02913	6.8
73.06547	2.8
79.05477	5.2
81.03424	3.9
81.07053	17.7
83.04959	0.9
83.08609	1.2
85.02900	50.0
87.04457	1.5
91.05476	9.2
93.03439	0.8
93.07041	13.5
95.04948	2.2
95.08597	3.0
97.02888	14.9
97.06551	1.0
99.04459	2.1
103.03931	1.0
105.07016	2.1
107.04938	4.4
107.08606	9.3
109.02879	3.8
109.10164	2.7
111.00763	2.1
111.04458	1.7
115.03932	2.6
117.06972	0.9
119.04916	1.5
119.08528	1.2
121.02827	1.2
121.06522	1.2
121.10110	1.2
123.04432	12.9
127.03902	9.2
129.05446	6.1
131.05013	1.1
133.04962	4.7
135.04437	1.1
135.11685	20.8
137.02327	4.0
137.05992	1.3
139.03879	2.8
143.03394	1.3
145.04924	7.5
147.04405	2.9
147.06493	1.0
151.03912	2.9
151.07492	1.2
153.01817	22.0
153.02991	1.5
153.05550	0.8
153.12738	100.0
154.02176	1.5
154.13068	1.8
154.31021	0.8
161.05980	2.4
163.03906	1.6
163.06023	1.6
163.07469	0.9
165.01904	4.2
167.07045	2.5
171.13715	1.4
174.06775	1.0
176.03476	1.3
177.05466	2.2
179.03316	0.9
181.04886	1.1
181.08594	1.2
183.02876	1.2
189.05431	0.9
189.09108	2.6
191.07182	1.0
194.04500	2.6
195.02951	1.4
195.04730	0.9
201.05562	0.8
203.03461	1.3
207.10149	0.8
217.04959	2.0
219.10161	2.7
223.06033	0.9
229.04993	3.6
231.02956	1.9
241.07045	1.3
245.04414	3.5
257.04385	2.6
259.02353	3.2
259.07980	1.8
263.05554	1.1
273.03943	3.5
277.03445	9.0
282.86075	0.8
285.03979	0.9
285.07373	1.1
303.01526	3.9
303.04965	73.1
303.16592	1.2
304.05325	4.8
314.10095	1.9
319.04474	79.9
320.04773	6.2
361.16370	1.9
465.10086	4.7
465.17188	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	465.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
54.04755	0.7
55.01871	5.0
55.05500	1.5
56.05018	1.3
57.03432	3.8
61.02921	4.8
69.03426	15.4
70.06233	0.6
70.06587	2.2
70.55730	2.3
71.04989	25.3
72.08152	0.8
73.02916	3.3
73.83345	0.7
81.03409	6.4
84.04507	1.0
85.02896	27.3
86.06056	1.1
87.04460	2.7
91.03946	1.5
94.06583	0.9
95.04943	0.7
96.91916	0.7
97.02884	9.8
98.06046	47.9
98.97559	1.2
99.03825	1.5
99.04447	23.3
109.02892	2.8
110.06023	2.4
111.06782	0.7
112.07617	1.8
114.05492	0.7
115.08699	1.2
116.07084	22.6
116.98605	1.2
117.05601	0.7
118.06482	0.8
119.01917	1.1
120.08099	0.8
121.02938	0.7
123.04419	1.0
124.07607	1.4
125.05976	1.4
127.03899	8.1
132.08122	0.8
133.03424	1.1
135.04436	0.9
136.07628	1.3
138.05492	5.4
139.03839	0.7
140.07060	4.2
142.08662	2.3
145.03952	0.9
145.04938	5.3
148.07587	3.2
150.05568	1.1
152.04942	0.8
152.07056	4.6
153.01836	1.7
153.05540	0.8
154.08629	1.6
157.03506	1.6
157.09698	1.7
159.05026	1.1
160.07613	1.3
161.02968	1.2
161.05580	1.5
162.05498	1.1
162.09163	1.4
163.06180	0.9
164.07111	2.3
166.08702	1.1
170.06042	1.9
170.08124	2.1
173.02965	2.3
175.04482	0.7
176.07047	11.6
177.07664	1.0
178.04996	2.2
178.08643	3.2
186.11205	1.5
188.07536	1.0
188.09157	7.0
190.08633	4.5
191.04039	0.8
192.10208	1.3
194.08116	1.3
198.98608	1.9
199.98653	1.3
200.07056	1.0
200.98218	8.8
203.13861	1.6
204.06575	1.3
206.08133	1.5
208.09692	1.4
218.08125	12.6
218.99355	4.0
219.01636	0.7
220.09702	1.1
221.05093	2.5
229.09361	3.7
230.99271	1.2
231.02968	1.7
231.07164	1.9
232.09627	1.2
235.08508	1.7
235.10727	19.1
236.09119	0.9
238.10735	5.6
242.99409	1.2
245.05122	3.4
247.04771	0.9
250.10745	12.2
251.08690	2.2
251.58801	0.8
255.06941	0.9
257.15125	1.2
259.02429	1.5
259.06775	1.4
261.00366	1.2
263.06091	1.0
265.05765	1.7
268.11768	1.4
277.03415	6.7
285.00443	1.1
285.14423	3.5
286.12903	2.1
291.09396	1.2
303.01563	5.3
303.05145	6.1
303.15512	81.8
310.11752	3.1
310.61920	1.3
318.10910	1.4
321.02618	1.7
321.10312	5.0
322.10550	1.6
323.09952	0.8
345.07361	0.7
369.47510	0.7
429.18680	1.1
447.19418	0.8
465.15231	9.9
465.20871	100.0
466.21310	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
65.64349	2.1
67.05488	3.4
67.94499	2.1
69.03426	3.9
71.04997	7.2
71.60635	2.8
79.05493	5.4
81.03417	2.4
81.07056	6.6
85.02907	6.8
91.05473	12.3
93.07048	9.1
95.04966	9.1
95.08613	2.8
97.01785	2.3
97.02882	2.2
102.40084	2.1
103.05481	5.6
105.07050	6.3
107.04953	18.8
107.08571	2.4
109.02873	2.2
109.06491	2.3
111.04479	2.4
114.73164	2.3
115.05522	3.6
117.03371	2.9
117.07040	3.5
119.04942	5.6
119.08583	4.7
121.06506	12.2
121.10116	4.1
123.04433	13.7
123.11726	2.5
124.05222	2.5
125.05968	2.8
127.03910	3.5
128.06255	4.3
129.07007	13.4
131.04979	5.1
131.08551	6.3
133.06512	4.0
135.04448	2.6
135.08073	4.6
137.05962	8.6
138.05508	6.4
138.09146	2.6
139.03894	3.0
140.04712	8.0
145.02863	6.9
145.06477	5.6
147.04404	12.9
148.05026	4.1
149.05986	6.1
151.03949	3.9
151.07544	13.1
153.01808	7.3
153.05455	6.3
155.07057	11.6
157.06456	13.0
159.08089	3.0
161.05960	39.5
161.09608	10.4
163.07550	7.7
165.09113	4.9
166.05003	10.3
166.06305	5.9
167.07048	70.1
167.18765	2.3
174.06706	11.0
175.07564	15.6
177.05534	12.2
177.09094	5.5
179.08549	3.4
181.08586	51.2
181.10191	2.5
182.07159	2.5
189.09113	59.9
191.07025	4.0
193.08504	2.3
195.08070	5.3
197.09677	3.4
207.10130	12.0
210.06688	2.4
219.10199	8.7
221.09619	2.4
223.07530	3.9
223.11125	2.5
225.09174	7.3
237.09084	2.9
239.10580	2.6
240.08003	3.3
241.08572	3.4
251.07089	2.9
251.10602	2.4
253.08635	7.9
255.10219	5.3
257.08408	2.1
257.11996	7.7
259.02374	2.7
267.06888	3.0
269.08154	2.4
270.08881	4.3
272.11633	3.8
274.09470	3.5
277.03448	7.1
279.10272	2.6
283.09637	6.8
283.13309	5.5
285.07980	3.2
285.11526	13.9
285.22156	4.9
287.05612	4.9
291.10214	2.4
295.09488	2.4
297.11185	3.5
299.09177	2.7
302.11523	4.5
303.01559	3.6
303.04987	18.1
303.13361	54.6
311.12732	6.0
315.12390	12.7
316.12375	2.9
317.13754	18.5
319.04422	11.5
329.13885	5.5
331.15796	4.8
343.15356	31.8
346.14090	2.9
359.14835	6.2
360.15601	26.3
361.16418	100.0
372.15491	2.8
435.20050	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	465.1026
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
55.32987	0.1
67.01797	0.4
68.99741	0.3
69.03365	0.4
69.03700	0.1
71.04992	0.6
71.61913	0.2
81.03371	0.3
83.01234	0.1
85.02894	1.2
89.33332	0.1
95.04924	0.2
95.08579	0.2
97.02865	0.3
105.07007	0.2
107.08488	0.2
109.02801	0.3
117.06940	0.1
121.02837	0.1
121.10035	0.1
123.04400	0.3
125.02323	0.1
127.03835	0.4
133.02780	0.3
147.04390	0.3
151.03897	1.1
153.01810	5.1
154.02028	0.1
161.05997	0.2
163.03812	0.2
171.02881	0.8
177.01822	0.3
177.05467	0.2
179.03369	0.2
201.05447	0.2
203.03360	0.5
213.32886	0.1
219.02777	0.1
229.04881	0.6
231.02730	0.2
248.83293	0.1
257.04370	1.6
269.81528	0.1
277.03433	0.4
281.62119	0.1
285.03879	0.8
285.07120	0.1
303.04956	100.0
304.05301	3.3
304.08664	0.3
319.04437	1.8
465.10333	4.2
466.10757	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03933	0.5
54.41634	0.3
55.01849	0.5
57.03415	1.0
57.85617	0.3
61.02925	1.1
68.99776	0.7
69.03423	3.3
69.52972	0.5
69.53384	2.3
70.95040	0.3
71.04990	0.6
73.02913	0.4
81.03420	1.7
82.48830	0.4
83.55646	0.4
85.02898	9.1
87.04471	0.5
89.87056	0.3
90.54230	0.3
91.03946	0.4
94.94315	0.3
97.02886	3.2
109.02864	1.2
111.00793	1.1
121.02842	1.1
127.03865	2.0
135.04436	0.4
137.02361	2.9
145.04950	1.9
149.02296	0.4
153.01805	3.9
163.03902	0.6
165.01869	1.8
173.05980	0.7
183.02881	0.6
183.04410	0.4
201.05501	2.2
219.06453	0.4
229.04926	5.1
247.06071	0.9
257.04379	2.6
274.04648	0.5
285.04004	1.3
285.19815	0.4
303.04984	100.0
304.05371	2.8
319.04315	0.8
474.53583	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	Myricitrin
Peak:m/z	Relative Intensity
51.43336	0.6
55.05481	0.6
57.03426	3.7
65.13987	0.6
67.55662	0.6
68.99800	0.7
69.90218	4.0
71.04992	29.3
84.67045	0.7
85.02906	28.0
88.04876	0.6
94.74934	0.7
103.12616	0.6
109.02872	0.8
111.00798	1.5
117.37736	0.6
129.05476	9.3
132.28215	0.7
137.02339	1.6
147.06548	1.1
153.01851	6.4
165.01862	2.6
179.03468	0.8
183.02820	1.1
192.17055	0.6
217.04927	2.7
230.62639	0.6
238.89294	0.7
245.04456	3.7
261.82257	0.6
273.03879	3.1
278.15753	0.6
281.15967	0.6
290.04269	1.0
301.03534	1.0
319.04483	100.0
320.04776	2.9
346.32956	0.7
346.78943	0.6
401.55960	0.6
445.15762	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
53.03937	0.9
55.01859	0.4
56.33109	0.2
56.96547	0.2
57.03418	0.6
58.87560	0.1
60.04515	0.4
61.02910	0.3
69.03420	4.4
69.94241	1.0
71.04969	0.8
72.06839	0.2
73.02907	0.8
79.01837	2.3
81.03408	8.2
81.07053	0.2
83.04950	0.2
85.02901	3.4
86.06011	0.2
87.04441	0.3
97.02879	6.2
97.03507	0.3
99.04413	1.1
107.01329	1.1
109.02861	5.5
111.07887	0.2
121.06491	0.3
123.04448	0.4
125.02342	3.0
127.03909	9.5
134.99614	0.2
139.03876	0.2
143.03380	4.5
145.04962	1.9
147.04399	0.5
150.07724	0.8
153.01811	100.0
154.02119	1.1
157.02859	0.4
159.55405	0.2
163.03926	0.4
171.02873	17.0
173.02177	0.3
175.03918	0.4
187.03912	0.8
189.19427	0.2
191.03418	0.4
201.01878	0.3
203.03427	0.8
212.05432	0.2
213.01831	0.7
215.03357	0.8
219.03030	0.3
221.00827	0.2
229.01367	0.4
231.02887	3.4
233.04506	0.2
237.03867	0.3
241.01309	0.5
247.02406	0.3
257.00845	0.4
259.02356	6.8
259.45016	0.2
267.11121	0.2
274.99066	0.2
275.01657	1.0
276.02618	0.8
277.03403	18.7
279.05075	0.4
285.00388	0.2
297.06012	11.4
302.00525	2.1
303.01355	6.0
303.04861	0.8
315.07065	18.1
316.07416	0.3
321.02298	0.5
363.03467	0.5
385.05652	0.2
426.26059	0.2
465.06503	1.2
482.85583	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.1
55.01868	3.3
55.05509	4.4
56.96554	2.2
57.03432	4.1
57.07064	1.0
61.02927	4.9
63.46424	1.1
65.03936	2.7
67.05493	4.9
68.99769	1.5
69.03426	11.6
69.07051	4.0
69.58924	7.6
71.01324	1.6
71.04980	2.8
73.02912	26.9
79.05494	13.5
81.03410	4.5
81.07040	7.2
83.04962	1.7
85.02893	23.8
86.09708	1.3
87.04462	2.4
91.05469	26.0
92.05798	1.3
93.07038	94.6
94.07359	1.1
95.04971	9.1
95.08597	3.9
97.02280	1.3
97.02885	18.8
98.97594	1.1
103.03959	1.2
105.07024	11.0
106.07410	1.1
107.04960	5.9
107.08585	100.0
108.08900	1.2
109.02853	1.9
109.06484	5.9
109.10133	2.6
111.04433	2.4
115.03927	10.9
115.05453	1.1
117.03387	1.2
117.07004	1.4
119.04950	5.4
119.08556	6.8
121.10139	5.3
122.10478	0.9
123.04421	25.6
123.11716	1.8
124.04751	1.2
124.33725	0.9
124.57334	1.0
124.99980	1.0
125.05983	1.2
127.03913	9.3
128.06165	1.1
129.05435	0.9
131.04930	3.0
131.08569	2.3
133.04948	9.6
133.06503	1.3
133.10103	3.7
135.04430	2.8
135.11681	42.3
135.12712	2.1
136.12091	1.2
137.02332	1.3
137.13234	1.0
139.03889	11.1
143.08549	1.5
145.02884	1.5
145.04968	9.1
145.10126	1.5
147.04393	16.1
147.08044	1.1
147.11685	3.5
148.04747	3.3
149.05991	1.3
149.09535	0.9
149.13235	1.2
150.07721	2.1
151.03900	3.1
153.01830	6.8
154.02202	1.6
154.08652	1.8
157.10056	1.2
159.11684	1.6
161.05917	1.0
161.09628	1.0
163.03888	3.5
163.06039	3.3
163.07529	1.1
165.05479	2.2
167.05554	0.9
167.06999	2.4
173.13297	2.3
174.13544	1.4
175.03847	1.1
175.11237	1.9
177.05495	5.0
181.04951	1.2
184.07332	3.8
187.03903	0.9
189.05519	2.0
190.08572	0.9
191.03400	1.3
193.08595	3.7
193.12263	2.0
201.60088	0.9
223.05977	1.5
231.13715	1.2
241.07030	1.7
244.99959	1.1
249.18454	1.7
257.11871	1.3
259.08200	4.4
267.15927	2.1
267.19525	2.7
273.07544	8.5
277.03391	3.0
285.07687	1.2
295.10202	1.4
303.01697	1.8
303.04990	6.4
312.16910	2.2
319.04431	7.0
464.13705	2.0
464.21487	3.0
465.22345	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
54.82354	0.4
57.03427	1.2
62.33837	0.4
65.08305	0.4
69.03133	0.5
69.03436	5.1
69.62669	0.7
69.63072	2.6
71.04981	1.5
72.99570	0.4
73.02906	1.7
81.03417	3.8
85.02905	4.7
85.14314	0.5
97.02880	1.0
98.20891	1.2
99.04443	1.2
103.05492	0.6
109.02865	1.3
119.04929	0.4
126.34788	0.4
127.03904	9.7
131.04921	0.8
134.20424	0.4
147.04405	0.7
157.02823	0.6
163.03932	0.5
175.03934	1.4
185.02356	1.2
187.03917	3.9
191.03305	1.1
201.01819	1.1
203.03349	2.1
212.38315	0.4
213.01843	3.3
215.03378	3.6
219.02881	0.9
229.01224	1.1
231.02873	15.7
232.03426	0.5
241.01282	3.2
247.02403	1.2
257.00772	1.2
259.02374	27.9
260.02908	0.6
261.03986	0.6
264.71054	0.5
275.01883	2.5
276.02631	2.9
277.03418	100.0
278.03763	2.1
285.00439	0.6
289.03348	0.5
303.01324	31.7
304.01447	0.8
321.02383	2.5
357.06180	0.5
363.03415	3.8
385.05487	0.7
465.06549	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	463.3052
Annotation	Verbacine
Peak:m/z	Relative Intensity
51.02372	0.7
53.03941	3.0
55.01870	2.3
55.05509	15.7
55.73552	0.5
57.03436	6.9
57.07074	2.7
63.18794	0.6
65.03649	0.5
65.03923	2.6
67.05501	69.2
69.03425	0.9
69.07063	24.3
71.01354	1.1
71.04987	4.9
71.08638	0.7
77.03911	0.6
79.05490	42.8
79.71236	0.5
81.03420	2.3
81.07053	86.0
82.07380	0.9
83.04982	6.9
83.08615	15.6
85.02920	0.8
85.06545	5.6
91.05475	24.1
92.05768	0.6
93.07038	65.4
94.07377	0.5
95.04968	9.3
95.08603	20.4
96.76819	0.6
97.06526	12.3
97.10179	1.9
99.04480	0.6
99.08086	3.9
105.04544	1.0
105.07031	8.6
107.04970	0.6
107.08589	34.4
109.06531	3.6
109.10154	3.8
111.08086	8.1
111.11738	1.1
113.06033	0.6
113.09663	0.8
117.07014	8.3
119.08585	3.6
121.06523	1.9
121.10136	20.9
123.08044	1.2
123.11734	2.3
125.05986	0.7
125.09648	0.8
127.07597	0.8
129.07018	0.9
131.08563	10.6
133.10126	9.5
135.08044	2.5
135.11685	10.4
139.07603	0.9
139.11154	2.5
143.08578	0.6
145.10193	0.7
147.11661	2.5
149.09662	1.4
149.13251	45.1
150.59125	0.5
151.11205	1.3
152.06342	0.5
153.09059	0.6
159.11682	18.4
163.11253	0.6
165.12746	0.7
167.14311	1.0
177.12755	9.9
195.11974	1.1
195.13799	19.8
209.62888	0.5
213.14775	3.0
251.16483	1.5
269.17480	0.8
331.75992	0.6
343.26361	0.6
371.25925	0.6
380.57483	0.5
389.26971	1.2
445.29709	1.3
463.30588	100.0
464.30890	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	463.3052
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03941	3.6
55.01863	2.4
55.05269	1.0
55.05512	13.6
57.03439	5.2
57.07056	1.3
57.51382	0.8
65.03932	3.2
67.05502	70.3
69.07066	24.5
69.72078	4.7
71.04984	5.2
73.02925	1.3
79.05488	42.7
81.03400	1.9
81.07053	81.1
82.07443	0.8
83.04980	7.9
83.08616	15.1
85.06537	4.9
90.13277	0.8
91.05478	21.3
93.07037	63.6
95.04964	7.8
95.08604	19.8
95.63136	0.7
97.06526	10.4
97.10294	1.0
98.21478	1.7
99.08083	4.0
101.12775	0.8
105.04558	1.2
105.07020	7.6
107.08591	34.0
109.06532	4.0
109.10156	2.6
111.08068	6.9
113.06018	1.0
113.09616	1.1
117.07001	8.4
119.08579	2.7
121.06528	1.6
121.10139	18.6
123.08045	1.2
123.11716	1.9
125.09603	0.9
131.08583	9.9
133.10118	6.7
135.08061	2.0
135.11674	9.3
139.11185	2.8
147.11743	1.4
149.13248	46.9
151.11142	1.4
159.11678	17.8
167.14296	1.3
177.12752	9.5
195.13791	20.3
213.14922	2.8
232.05429	0.9
251.16385	1.4
463.30548	100.0
464.31171	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	463.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.5
55.01866	3.0
55.05265	1.0
55.05510	16.9
57.03434	5.7
57.07071	2.2
65.03944	2.9
67.05502	70.1
69.03429	0.7
69.07068	24.8
71.04996	4.6
71.08617	0.8
73.02888	0.9
79.05491	45.7
81.03425	3.8
81.07053	86.6
83.04974	8.0
83.08617	14.3
85.06547	4.2
91.05476	24.0
93.07040	62.5
95.04964	9.3
95.08605	23.9
97.06528	12.7
97.10140	1.3
99.08100	3.0
105.04498	0.8
105.07026	10.4
107.04929	0.9
107.08591	36.3
109.06509	4.5
109.10135	3.2
111.08092	7.4
111.11691	0.9
113.09666	1.0
115.05456	0.8
117.07003	9.3
119.06067	0.9
119.08569	3.3
121.06494	2.0
121.10143	19.3
123.08042	0.8
123.11721	2.9
127.07542	0.8
131.08569	10.0
133.10124	10.3
135.07983	1.6
135.11690	10.6
139.11220	2.4
143.62323	0.7
145.10081	1.0
147.11682	2.1
149.09686	1.2
149.13255	41.4
150.13522	0.7
151.11151	1.6
157.10088	0.9
159.11688	17.7
167.14339	1.2
177.12738	10.9
195.13811	18.5
213.14806	3.9
229.29128	0.7
239.59836	0.8
251.16237	1.3
296.82285	0.7
321.61945	0.7
346.74573	0.6
463.30563	100.0
464.31055	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	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.3
53.03938	4.4
55.01865	2.8
55.05507	19.1
56.65749	0.6
57.03443	4.8
57.07073	1.9
65.03931	3.2
67.05501	71.3
69.03435	1.0
69.07066	21.6
69.07645	0.9
69.62440	3.6
69.62868	2.4
70.13142	0.7
71.01355	1.3
71.04993	4.9
73.02915	0.9
77.55374	0.7
78.14462	0.9
79.05489	47.2
80.05823	0.9
81.03404	4.1
81.07053	88.9
82.07391	1.1
83.04984	7.4
83.08614	17.0
85.02872	0.7
85.06534	4.1
91.05473	29.0
93.07038	62.6
95.04968	8.1
95.08599	23.7
97.06528	10.2
97.10173	2.3
98.11277	0.7
98.21419	1.0
99.08114	2.8
105.04508	0.8
105.07017	12.4
107.04967	1.4
107.08591	34.6
109.06526	2.9
109.10125	4.3
111.08068	8.1
112.88461	0.7
117.07005	11.8
119.08590	4.4
121.06491	2.6
121.10131	18.3
123.08102	1.2
123.11716	3.7
125.09618	1.3
128.35342	0.7
129.06984	1.6
131.08563	12.4
133.10127	12.4
133.37512	0.7
135.08057	3.2
135.11676	12.3
139.11168	1.0
145.10155	2.0
147.11699	1.7
149.09644	1.5
149.13248	36.5
151.11142	1.6
153.61557	0.7
157.10138	0.9
159.11678	16.5
165.12805	1.0
167.14316	1.4
171.11674	1.4
177.12758	7.8
195.13794	21.6
213.13022	0.8
213.14752	3.5
221.15097	0.8
262.57819	0.8
353.24957	2.0
367.67242	0.9
371.26028	2.3
389.26822	1.8
445.29703	5.0
463.30566	100.0
464.30841	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	463.305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34163	0.9
53.03942	3.0
54.49595	1.0
55.01879	2.0
55.05510	13.3
57.03445	5.2
57.07069	2.9
65.03927	2.5
66.27945	0.7
67.05502	66.3
69.03410	1.2
69.07067	23.7
70.66611	0.8
70.98161	2.6
71.01340	0.8
71.04982	3.7
73.02884	1.1
77.03939	1.1
79.05489	40.5
81.03423	3.1
81.07055	87.0
83.04973	8.4
83.08620	16.7
85.02914	1.3
85.06531	3.9
91.05476	22.5
93.07039	57.1
95.04966	8.2
95.08602	22.3
97.06522	12.1
97.10155	2.1
97.61264	0.8
99.08090	3.8
105.07029	8.7
107.04955	1.8
107.08588	33.2
109.06506	4.2
109.10159	2.6
111.08060	7.8
113.05968	1.6
117.07011	9.9
119.08580	5.0
121.06503	1.6
121.10137	20.7
123.08119	1.0
123.11724	1.9
125.09669	0.8
127.07590	1.0
131.08556	12.5
133.10133	7.4
135.08025	2.0
135.11676	11.7
139.11247	1.7
145.10117	2.2
147.11679	3.0
149.09644	1.5
149.13257	40.9
151.11258	1.0
153.12743	0.9
159.11687	18.1
164.69771	0.9
165.12714	0.9
167.14275	1.6
177.12744	8.7
193.12195	1.0
195.13797	17.0
197.13420	1.0
213.14862	4.7
251.16510	1.0
252.77228	0.8
269.17453	1.1
445.29712	1.7
463.30585	100.0
464.30905	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	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.4
55.01859	4.7
55.05505	25.6
57.03435	10.4
57.07054	2.1
65.03926	3.7
67.05500	64.0
69.07069	25.7
71.04985	5.0
71.33378	3.3
71.33742	1.7
79.05489	56.3
79.10704	1.6
79.37199	1.4
81.03421	2.0
81.07050	72.8
83.04970	5.6
83.08624	10.3
85.06533	5.0
89.57593	1.6
91.05471	74.2
93.07036	61.9
93.07629	3.3
95.04949	12.9
95.08598	46.2
97.06521	7.0
97.10180	3.6
99.08072	3.2
103.05457	2.0
105.07024	63.4
107.04948	5.4
107.08594	28.3
109.06500	8.6
109.10150	14.8
110.58634	1.6
111.08075	3.5
115.05454	3.0
116.06275	1.8
117.07005	29.4
119.08569	38.8
121.06492	7.1
121.10143	22.8
123.08060	4.8
123.11674	2.0
125.09589	2.6
128.06197	3.5
128.08244	1.5
129.07001	22.9
130.07852	3.0
131.08560	57.7
133.06479	5.6
133.10114	30.5
135.08032	7.5
135.11664	9.0
135.85571	1.6
137.09592	4.5
141.06969	8.6
142.07829	1.9
143.08569	21.9
144.09346	2.2
145.06499	4.3
145.10106	31.0
147.08046	5.4
147.11673	7.2
149.09583	5.7
149.13281	9.6
154.07747	1.9
155.08549	12.1
157.10112	15.1
159.08105	2.8
159.11681	16.1
161.09653	3.3
161.13228	2.9
162.82965	1.5
163.11171	2.1
167.08510	5.1
167.09816	2.3
169.10086	11.1
171.08047	1.5
171.11688	10.2
173.13196	7.9
177.12747	3.4
181.04961	1.8
181.10117	4.9
183.11674	6.6
185.13190	7.5
187.14842	5.2
189.73042	1.7
195.06622	2.9
195.11732	4.5
195.13789	5.3
197.13344	8.9
199.14807	4.5
201.12856	2.6
201.16420	2.0
209.13266	6.0
211.14830	5.7
213.12799	2.2
213.16431	2.0
215.14238	1.7
221.15176	1.8
223.14845	6.2
225.16368	2.8
227.14397	2.0
233.15387	4.4
235.16916	2.2
237.16420	2.8
247.16953	4.9
255.17490	2.0
259.16959	3.2
273.18539	2.2
285.10617	1.7
287.20071	2.5
317.22687	1.7
325.25165	8.0
335.23746	8.7
343.26364	14.8
353.24722	40.6
371.25793	51.0
389.26831	57.2
409.27179	2.6
414.47690	1.6
427.28329	4.4
435.31079	2.6
445.29474	100.0
463.30450	73.0
466.35620	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13551	0.6
53.03932	3.2
55.01868	3.0
55.05506	16.9
57.03439	6.2
57.07065	2.3
65.03943	2.3
67.05499	68.8
69.03403	1.2
69.07066	21.4
71.04984	5.3
71.08609	0.8
73.02912	0.8
77.03887	0.8
79.05486	45.3
81.03415	4.2
81.07050	90.3
83.04974	7.3
83.08616	16.8
85.06523	3.9
91.05474	24.2
92.06388	0.6
93.07037	64.0
95.04956	10.3
95.08594	22.3
97.06527	12.0
97.10167	2.6
99.08102	3.6
105.04569	1.0
105.07027	9.4
107.04976	1.9
107.08588	34.3
109.06522	3.1
109.10147	5.1
111.08086	8.4
111.11711	0.9
114.52162	0.6
115.05444	0.9
117.07015	9.9
119.08567	5.3
121.06519	2.5
121.10130	18.9
123.08110	1.2
123.11691	3.3
125.09625	1.0
127.07552	0.7
129.06992	1.4
131.08560	11.1
133.10114	11.2
135.08084	3.0
135.11679	11.4
137.95755	0.6
139.11194	1.7
144.09326	0.9
145.10109	1.7
147.11697	2.6
149.09619	1.2
149.13245	36.5
149.38467	0.7
151.11150	2.4
157.10152	2.0
159.11684	16.0
165.12802	1.1
167.14302	1.2
177.12733	9.5
195.13794	19.6
199.14911	0.8
213.13046	0.6
213.14760	4.0
219.13753	1.3
251.16467	1.4
253.14430	2.2
305.40552	0.7
343.26389	1.1
346.57043	0.7
353.24741	1.0
371.26120	0.8
389.27151	0.8
445.29660	2.4
463.30621	100.0
464.30991	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	463.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42199	0.7
53.03944	1.3
55.01859	2.2
55.05489	2.5
57.03431	2.1
61.02921	4.1
61.03188	0.8
64.11485	0.7
65.03932	0.8
67.05482	3.1
69.03421	8.6
69.07053	2.9
69.25184	0.7
69.44593	2.4
69.45007	4.5
71.04976	2.3
73.02903	0.8
76.77361	0.7
79.05480	3.4
81.03410	6.1
81.07064	6.9
83.04910	0.7
83.08613	1.5
85.02904	22.1
87.04462	1.9
87.61262	0.9
91.03934	2.2
91.05473	7.8
93.07032	4.7
95.04952	1.3
95.08595	5.6
97.02888	9.9
97.06519	2.6
97.10159	0.8
99.04437	2.1
99.08095	1.2
105.07008	4.7
107.04917	2.9
107.08611	4.5
107.39191	0.7
109.02887	2.2
109.06479	1.0
109.10150	6.4
111.07962	0.8
117.07028	2.5
119.07796	1.4
119.08582	15.4
121.06495	1.6
121.10124	4.5
123.04401	1.7
123.11721	9.9
127.03912	6.1
129.07002	2.6
131.04823	0.8
131.08580	4.1
132.05698	5.5
133.10115	2.6
135.04402	1.6
135.08067	0.8
135.11681	2.0
137.13242	1.5
139.03847	0.7
139.11176	2.1
143.08536	1.7
145.04974	3.4
145.06476	0.9
145.10109	2.3
146.07265	1.2
147.08041	100.0
148.08331	1.8
149.09608	15.2
149.13182	1.1
150.39938	0.8
153.01834	0.9
155.08603	0.9
157.10156	1.8
158.07237	2.2
159.08051	6.1
159.11682	1.9
161.09631	8.8
163.11140	1.0
167.14308	1.6
167.59213	0.9
171.07970	1.7
171.11610	1.4
172.08763	2.3
173.09627	7.2
173.13200	1.6
175.11235	3.9
177.05586	0.8
185.09668	2.0
185.13239	1.3
187.11166	34.1
188.11478	0.9
189.12758	2.6
199.11159	4.6
201.12659	1.6
203.14296	0.8
213.12749	4.4
215.14268	3.4
217.48761	0.9
227.14293	2.7
231.13734	0.9
241.15936	1.3
255.21106	1.8
265.19370	1.0
283.20523	10.6
298.92053	0.8
301.21573	5.6
310.64697	0.8
311.16458	1.5
364.27811	0.8
402.96802	1.0
427.42889	0.9
463.21350	1.3
463.26865	30.9
483.51740	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.0
55.01855	2.5
55.05505	5.0
57.03435	4.1
57.07066	1.0
61.02925	6.7
67.05213	0.7
67.05495	7.2
68.34145	0.7
69.03423	26.9
69.07062	5.8
69.75070	0.8
71.00647	1.5
71.04967	3.0
73.02892	3.2
79.05492	8.9
81.03414	6.6
81.07057	14.0
83.04948	2.2
83.08615	2.2
85.02902	21.8
87.04453	3.1
91.03931	1.6
91.05475	9.4
93.07040	17.3
93.19285	0.8
95.04956	3.0
95.08609	9.8
96.41545	0.8
97.02882	8.9
97.06492	2.3
97.10175	1.6
99.04443	3.0
101.03635	0.8
103.05465	1.0
105.07022	16.6
107.04929	2.4
107.08585	17.9
109.02865	3.5
109.06506	7.7
109.09560	0.8
109.10160	6.8
111.04469	0.8
111.08073	1.6
115.05407	1.0
117.06995	3.7
119.05016	0.8
119.08574	30.4
121.06479	2.6
121.10136	9.6
123.04413	1.7
123.08035	3.0
123.11681	5.1
127.03898	6.8
128.06218	1.9
129.06987	1.6
130.07774	0.8
131.08572	8.0
132.05693	1.0
133.06412	1.0
133.10123	18.1
135.04349	0.9
135.08018	3.3
135.11681	18.2
137.05960	1.0
137.09607	1.4
139.03900	0.9
141.06958	2.0
142.07755	1.7
143.08562	7.0
145.04961	1.5
145.06453	1.2
145.10110	8.6
146.07242	3.4
147.04369	0.9
147.08069	5.0
147.11681	4.6
149.09604	4.7
149.13223	3.4
151.11174	4.8
153.05472	0.8
153.07008	0.7
155.08566	2.4
156.09259	1.5
157.10107	6.0
159.08087	3.9
159.11673	7.8
161.09610	54.7
161.13199	2.6
163.11134	1.7
167.08530	2.3
169.10089	3.1
171.11662	5.2
173.09651	5.2
173.13261	4.9
175.11070	4.0
175.14839	1.4
177.12733	2.2
179.08479	1.2
180.09363	1.0
181.10106	2.9
182.10732	0.8
183.11687	2.7
185.09570	2.8
185.13243	5.8
187.11140	3.2
187.14761	2.8
189.12755	2.5
191.14383	0.9
194.10817	1.6
195.11665	6.3
197.13200	3.0
199.11119	2.0
199.14801	2.4
201.12735	2.7
203.14166	0.9
207.11607	0.8
209.13249	5.4
211.11156	0.9
211.14781	2.4
213.12785	4.8
213.16310	1.6
215.14284	1.5
222.13948	0.9
223.14903	4.4
225.16315	1.8
227.14287	5.4
227.17892	1.9
228.14914	1.1
229.15865	2.5
237.16283	1.8
239.17929	1.2
241.15886	4.7
241.19458	1.2
250.17249	1.1
255.17416	1.9
255.21080	4.0
265.19507	12.3
268.18265	0.8
283.20554	55.2
284.20868	1.3
301.21588	52.2
302.21744	1.0
399.28619	1.0
427.28479	4.8
445.28958	1.2
463.26776	100.0
464.27252	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	463.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
53.03929	0.9
55.01863	1.0
55.05506	0.9
57.03413	0.8
58.90504	0.3
61.02923	1.8
67.05508	1.8
67.91275	0.3
69.03085	0.3
69.03433	4.3
69.07058	1.1
71.04976	1.0
73.02905	0.7
77.03905	0.3
79.05489	1.5
81.03422	2.4
81.07054	2.7
83.05003	0.4
83.08608	0.7
84.08134	0.7
85.02907	11.8
85.03427	0.6
87.04455	0.6
91.03938	0.6
91.05479	6.3
93.07069	2.3
95.04961	0.4
95.08601	1.9
96.02254	0.3
97.02896	4.3
97.06508	0.3
97.10212	0.6
99.04448	1.1
103.05437	0.5
105.07031	2.1
107.04952	2.2
107.08587	2.1
109.02850	1.1
109.06516	0.5
109.10152	2.1
115.05489	0.4
117.07053	1.8
119.04923	1.3
119.08575	6.4
119.35535	0.3
121.06490	0.9
121.10126	1.5
123.04430	1.5
123.11703	4.6
127.03909	2.4
128.06203	0.7
129.06996	0.9
131.04889	0.4
131.08540	1.6
132.05713	3.2
133.06543	0.3
133.10100	1.0
135.04395	0.9
135.06761	0.3
135.11716	0.9
137.05960	0.8
137.13255	0.7
139.03886	0.5
141.12756	0.9
143.08534	0.8
145.04947	1.6
145.06465	1.1
145.10129	1.2
146.07266	0.3
147.08043	100.0
148.08420	2.0
149.02357	0.7
149.09674	0.3
149.13214	0.9
151.03886	0.4
153.01817	0.8
154.08719	0.6
157.10094	0.4
158.07263	1.4
159.08047	2.2
159.11696	1.3
161.09610	6.0
161.13242	0.3
163.03902	0.8
165.05438	0.5
167.07115	0.4
167.14284	3.1
169.10095	0.6
171.08025	0.6
171.11710	0.5
172.08855	1.7
173.09625	2.9
173.13280	1.3
175.03893	0.4
175.11230	0.6
176.27855	0.3
181.10193	0.4
183.07919	0.3
184.08893	0.4
185.09610	1.0
187.11183	31.3
188.11583	0.7
189.05487	0.4
189.09134	0.5
191.07137	0.4
199.11169	2.7
201.12912	0.6
213.12759	1.8
227.14333	0.7
283.20557	6.1
301.21506	2.2
311.16455	1.3
359.03610	0.4
396.35413	0.4
463.21268	0.7
463.27188	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2687
Annotation	Pierisformoside C
Peak:m/z	Relative Intensity
53.03941	1.7
55.01867	1.3
55.05506	1.9
56.96558	0.3
57.03434	2.8
57.07069	0.3
59.04980	0.6
61.02919	5.3
67.05499	2.4
69.03423	16.5
69.07066	2.3
69.83727	0.3
70.16639	1.1
71.01353	0.3
71.04987	1.8
73.02914	2.8
77.64068	0.2
79.05494	2.0
81.02974	0.5
81.03413	5.4
81.07053	3.4
83.01338	0.5
83.04971	0.6
83.08613	1.0
85.02897	20.5
85.06503	0.3
85.66879	0.3
87.04459	4.0
91.03948	1.6
91.05465	3.1
93.07031	4.9
95.04940	1.2
95.08586	3.4
97.02883	9.5
97.06515	3.7
97.10150	0.6
99.04445	2.2
99.08102	0.3
101.02370	0.6
103.05473	0.3
105.07020	4.7
107.04943	1.1
107.08585	4.4
109.02864	2.6
109.06519	0.8
109.10157	3.1
111.08020	1.2
115.03905	0.5
115.05436	0.3
117.06971	1.3
119.04938	0.7
119.08570	7.4
121.06468	1.4
121.10142	5.2
123.04423	1.4
123.08059	0.6
123.11676	0.8
127.03909	4.3
128.06221	0.5
129.06990	1.3
131.08556	4.7
133.06502	0.5
133.10123	4.2
135.08043	0.7
135.11711	1.2
137.05977	0.4
137.09601	0.7
139.11130	0.6
141.06976	0.4
142.07764	1.0
143.08559	3.5
144.09325	0.4
145.04974	1.7
145.06445	0.6
145.10097	3.9
146.07278	0.5
147.08037	1.9
147.11641	2.3
149.09601	8.8
149.13264	0.5
151.03867	0.5
151.11159	0.4
153.01854	0.5
155.08539	1.0
156.09305	1.3
157.06450	0.3
157.10110	4.3
158.07253	0.5
158.10872	0.7
159.08012	1.8
159.11693	3.0
160.08792	0.5
161.09618	4.2
161.13237	1.2
162.53458	0.2
163.11156	2.1
165.06970	0.5
167.08511	0.7
169.10086	1.3
170.10902	1.0
171.08061	2.0
171.11670	2.8
172.08789	0.6
173.09634	2.1
173.13254	6.0
174.13715	0.3
175.03978	0.3
175.11165	3.5
175.14789	0.5
177.05554	0.3
177.12791	0.3
179.08430	0.4
180.09349	0.5
181.10091	0.7
183.08139	0.3
183.11674	1.0
184.08737	0.3
184.12413	0.4
185.09621	2.0
185.13234	4.6
186.10384	1.3
187.11186	2.6
187.14769	1.6
189.12717	3.6
191.14304	0.7
191.37483	0.3
194.10928	0.4
195.11647	1.5
197.09691	0.5
197.13237	1.5
198.10384	1.0
199.11150	2.0
199.14816	2.2
201.12721	2.7
203.14301	2.5
207.11659	0.3
208.12347	0.4
209.13246	1.5
211.11243	0.5
211.14803	1.4
212.11920	0.6
213.12724	5.8
213.16399	1.0
215.14302	7.7
217.15929	0.4
221.13289	0.5
223.14824	0.8
225.12726	0.5
225.16365	0.5
226.13513	0.4
227.14297	4.8
227.17827	0.6
229.15869	0.8
231.13826	0.6
239.14464	0.4
241.15785	1.4
245.15340	0.4
254.16649	0.7
255.17419	0.5
255.18057	0.5
255.21030	4.8
265.19504	1.3
268.18317	0.3
273.22076	0.8
283.20547	11.6
284.21088	0.3
301.21585	9.9
304.37503	0.3
311.16403	0.5
378.66760	0.3
379.56195	0.2
394.07419	0.2
435.27338	0.8
445.20016	0.6
463.26859	100.0
464.27283	3.4
487.91302	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2318
Annotation	Debromosceptrin
Peak:m/z	Relative Intensity
55.01863	0.5
55.05507	2.5
56.96548	0.8
57.03438	0.7
66.84032	0.4
67.05170	0.6
67.05498	7.2
67.90925	0.4
68.05828	0.4
69.03413	0.7
69.07050	2.5
69.15273	0.4
71.60820	0.5
71.61195	0.7
75.37659	0.4
79.05485	4.2
81.03413	1.6
81.07058	7.4
83.04971	1.4
83.08611	1.5
85.02942	0.4
91.05473	4.0
93.07034	6.2
95.04964	1.8
95.08596	3.3
97.06509	0.7
97.10169	0.5
105.07021	1.9
106.94117	0.5
107.04935	0.9
107.08582	3.3
109.02839	0.5
109.06467	0.6
109.10149	1.5
117.07018	1.3
119.08559	2.1
121.10133	2.1
123.04377	1.1
123.11676	0.5
128.28798	0.4
129.06979	1.0
131.08583	2.2
133.10130	2.5
135.11708	1.7
137.09526	0.4
139.03879	0.6
143.08578	0.7
145.10115	1.0
149.09639	0.6
149.13240	2.5
155.10635	0.5
157.10095	0.9
159.11697	1.5
165.05444	0.5
169.10114	0.5
177.12737	0.8
178.28427	0.5
195.13751	0.7
205.11179	0.5
223.12572	0.4
249.13956	0.5
319.17850	1.0
369.74371	0.5
371.24997	0.5
399.28604	0.5
417.29602	0.5
427.28613	0.6
445.20441	0.6
445.28867	1.2
463.23007	100.0
463.30096	6.6
464.23199	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.123
Annotation	kaempferide 3-O-glucoside
Peak:m/z	Relative Intensity
63.48077	0.2
70.53690	0.2
71.19727	0.2
71.57168	0.3
78.97322	0.2
109.02876	0.3
123.04420	0.5
130.91508	0.2
139.03838	0.3
147.04353	0.9
153.01811	2.1
154.02087	0.2
163.03816	0.4
179.03404	0.4
191.03331	0.7
203.03300	0.2
213.05324	0.4
219.02852	0.8
220.01773	0.2
227.03537	0.3
228.04086	0.3
229.04953	0.5
241.15683	0.3
257.04456	0.3
258.05209	12.6
261.03741	0.3
269.04300	0.3
285.03754	0.7
286.04688	32.4
287.05081	0.7
289.03357	0.6
301.07034	100.0
302.04099	0.6
302.07266	2.6
311.05276	0.3
312.02646	0.4
313.03391	3.3
317.02817	0.3
321.03894	0.6
329.02887	2.8
330.03674	1.0
341.02924	0.7
345.02390	0.6
359.03940	14.3
360.04257	0.6
367.04489	0.8
369.02872	0.3
385.05643	0.5
401.05026	0.9
408.49899	0.2
409.05502	4.9
410.05981	0.3
427.06522	1.8
445.07709	0.4
463.07864	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1234
Annotation	Isorhamnetin 3-rhamnoside
Peak:m/z	Relative Intensity
53.03944	0.3
55.05499	0.6
55.73884	0.3
57.03179	0.3
57.03437	4.1
61.02918	0.3
65.03943	0.2
67.05486	0.3
69.03433	0.4
71.04990	30.1
71.60708	0.3
73.02911	0.6
75.04473	0.6
81.07050	0.8
83.04968	0.5
85.02901	28.7
87.04467	0.7
91.05473	0.4
92.02619	0.7
93.03414	0.7
93.07039	0.4
95.08619	0.5
97.02863	0.3
97.10161	0.2
105.07040	0.5
107.04942	0.3
107.08588	0.5
109.02886	0.3
109.10163	0.4
111.04425	0.4
111.08066	0.3
119.08535	0.3
121.02889	0.7
121.10148	0.4
123.04444	0.3
129.05472	6.9
131.08603	0.3
133.10132	0.6
134.10469	0.4
135.04453	0.3
135.11673	0.3
137.06017	0.4
139.03886	0.9
147.04419	0.5
147.06480	1.1
149.15305	0.2
151.03906	0.7
153.01823	5.9
160.07759	0.2
160.76088	0.2
163.03957	0.3
165.01906	0.3
167.07077	0.4
173.05916	0.3
177.05421	0.4
187.03851	0.2
201.05479	0.7
217.04990	0.5
218.05592	0.4
228.04184	1.2
229.04916	2.5
239.03391	0.3
245.04449	0.6
246.05179	1.6
247.24225	0.3
256.03680	0.3
257.04459	1.9
260.03140	0.5
261.07489	0.3
273.03943	1.3
274.04703	3.4
275.05112	0.3
283.26315	0.3
284.03180	0.5
285.03934	3.7
286.04688	0.3
301.07129	0.3
302.00742	0.5
302.04208	10.9
317.06543	100.0
318.06873	3.1
359.03854	0.7
359.07767	0.4
427.09726	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	0.7
61.02920	0.9
68.03275	0.4
69.03423	3.0
70.06583	0.5
73.06546	0.7
81.03410	1.6
84.89202	0.4
85.02895	5.6
87.04456	1.0
89.06026	69.0
97.02895	1.9
106.77315	0.5
107.07087	3.2
109.02869	1.7
119.08529	0.5
127.03927	1.5
130.08591	0.5
133.08597	33.2
134.08908	0.5
135.04454	0.5
136.06163	0.6
138.05499	1.6
139.03928	0.7
145.04980	0.7
151.09641	0.8
153.01840	2.7
164.07016	0.4
177.11220	13.4
181.08679	0.5
195.12329	2.4
217.01303	0.5
221.13808	1.1
223.07515	1.7
239.14888	2.8
265.14304	0.9
265.16882	0.5
267.68091	0.5
283.17499	100.0
284.17963	1.0
300.99915	0.5
319.00851	0.7
462.13724	0.7
462.25925	0.5
463.04883	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0865
Annotation	Stenophyllin
Peak:m/z	Relative Intensity
55.01848	0.4
57.03413	0.6
59.05000	0.5
61.02914	1.8
67.01839	0.4
68.24666	0.3
68.99780	1.8
69.03406	0.7
69.61066	3.0
71.04949	0.4
78.92400	0.3
80.75931	0.3
81.03382	0.5
83.01305	0.4
86.45676	0.3
87.04468	0.6
94.93613	0.3
97.02882	0.4
98.21500	0.7
109.02856	1.9
111.00754	1.0
115.49926	0.4
133.02852	0.5
137.02321	0.7
145.06477	0.4
149.02330	0.7
150.03180	0.4
151.03841	0.5
153.01808	13.4
155.04974	0.3
159.04309	0.4
163.03853	1.2
165.01826	1.1
165.05450	0.4
166.02597	0.5
171.04338	0.6
173.05937	0.4
175.03889	0.6
177.01840	1.0
179.03372	1.4
183.04414	0.7
187.03784	0.4
189.01768	0.9
191.03384	3.2
195.02919	0.4
199.03831	0.7
201.05444	1.3
203.03377	1.2
205.01283	1.4
205.04927	0.8
207.02849	0.4
209.05914	0.4
213.01930	0.4
213.05400	0.7
215.03392	1.2
217.04962	1.1
219.02870	8.1
223.02354	1.5
227.03365	0.8
228.04106	0.5
229.04903	3.8
231.02885	1.0
233.00685	0.4
233.04372	0.6
237.05522	0.7
241.04918	0.7
243.02823	1.1
245.04431	1.4
247.02345	0.6
253.04918	0.5
255.02841	2.0
255.06555	0.7
257.04373	2.7
259.02396	2.8
261.03983	1.0
265.04837	0.4
267.03015	0.6
269.04370	1.0
271.02240	2.4
273.03876	1.3
273.98047	0.3
274.04669	1.8
275.02567	0.4
275.05365	2.2
282.05127	0.4
283.02399	1.2
283.06024	1.2
283.15549	0.4
284.03137	1.1
285.03925	5.8
289.03360	4.0
293.04419	1.2
297.03922	1.6
299.01852	1.0
301.03406	2.4
301.06522	0.6
302.04178	3.6
303.04990	1.1
307.06033	0.5
309.03943	0.8
310.04755	0.6
311.05453	1.8
312.02661	3.0
313.03357	23.0
314.03937	1.2
315.04953	0.4
317.02884	2.8
319.04492	0.4
321.03864	4.7
322.04572	0.6
325.03323	0.8
327.04898	0.7
329.02872	23.3
330.03662	6.7
331.04352	3.8
335.05508	0.8
337.03348	1.3
338.04010	0.9
339.04980	2.7
341.02905	6.5
342.03296	0.4
343.04544	1.6
345.02377	6.2
349.03421	1.6
350.04144	0.7
353.06573	0.5
355.04379	1.0
357.02307	1.3
357.06110	1.7
358.02750	0.4
359.03918	100.0
360.04434	2.2
363.04883	2.5
365.02768	0.9
366.03717	0.9
367.04376	5.8
369.02368	1.6
371.03705	0.5
373.05884	0.5
381.05984	1.2
383.03708	1.9
385.05530	3.7
387.03598	0.4
401.04987	6.9
409.05487	46.1
410.05682	1.5
427.00748	0.7
427.06573	15.7
445.07599	4.1
463.08633	25.1
463.25201	1.4
464.09103	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55025	0.4
55.01890	1.1
55.05505	4.2
57.03456	0.5
57.07111	0.7
65.03960	1.4
66.45821	0.3
67.05500	9.3
67.05818	0.6
69.03439	3.5
69.07057	3.6
71.59872	0.7
77.03963	0.4
79.01839	2.0
79.05489	3.7
80.05829	0.5
81.03422	2.4
81.07052	11.8
83.04982	1.9
83.08620	2.3
84.08146	1.0
85.02925	1.4
85.06579	0.5
91.04903	0.5
91.05473	9.7
91.06001	0.6
93.07040	6.1
95.04974	2.3
95.08603	16.3
97.02911	0.8
97.06520	0.9
97.10140	1.8
99.08121	0.4
103.05482	0.5
105.07028	5.3
107.04977	1.5
107.08587	3.2
109.02907	0.7
109.06511	1.2
109.10150	6.1
111.04457	0.6
111.08085	0.6
111.11696	0.5
113.05980	0.4
113.09669	0.5
115.05463	0.5
115.07549	0.8
117.07025	1.5
119.04941	13.4
119.08580	2.4
120.05272	0.7
121.06512	1.0
121.10126	2.8
123.04411	1.6
123.08062	11.8
123.11684	2.9
125.02353	1.7
125.06013	0.4
125.09622	1.0
126.25079	0.4
127.03914	1.3
127.11195	0.7
128.06227	0.6
129.07002	1.5
131.04961	1.0
131.08559	1.8
133.06496	0.9
133.10155	2.0
135.04405	0.7
135.08064	3.5
135.11673	2.0
137.05939	0.9
137.09550	0.5
137.13257	1.5
139.03897	1.3
139.11212	0.5
143.03413	2.5
143.08575	1.5
145.06461	1.0
145.10130	1.7
147.04404	53.7
147.08029	1.1
147.11661	1.5
148.04752	2.7
149.09637	0.5
149.13261	1.6
151.07533	100.0
151.14784	1.1
152.07898	0.5
153.01820	40.8
153.02827	1.5
154.02180	1.5
155.08551	0.6
157.10153	1.4
159.08054	0.9
159.11659	1.3
161.09637	0.6
161.13304	0.8
163.03862	0.6
163.07545	1.7
163.11127	1.2
163.14815	1.1
165.09103	3.1
165.16362	0.6
167.14314	0.5
169.10062	0.8
171.11739	0.8
173.09579	1.0
173.13187	0.6
175.07515	0.9
175.11166	1.2
177.09077	2.7
177.12706	0.7
177.16374	0.5
183.11734	0.7
185.13231	0.5
187.07562	0.6
187.11156	0.5
189.09081	1.7
189.12682	0.7
191.06909	0.5
191.10660	10.9
193.12280	0.8
199.11205	0.6
199.14914	0.5
203.10760	0.4
205.12180	1.5
207.13690	0.8
211.14915	0.5
213.03923	0.9
213.12881	0.5
219.13770	0.6
231.06381	1.0
238.09708	0.6
253.12120	0.8
257.15198	0.5
259.24078	0.8
264.09048	0.4
273.07529	0.5
277.25107	1.6
281.11557	1.1
281.17361	0.9
284.10217	1.2
291.10458	0.6
299.12823	2.7
309.14648	0.5
309.23987	0.4
313.07050	0.4
323.25928	2.2
351.22931	0.9
359.25470	0.4
369.23917	1.4
372.32501	0.4
380.31308	0.4
387.25000	1.0
397.30865	0.9
415.31564	1.3
425.30594	0.9
443.09634	0.9
443.27759	2.1
446.39056	0.4
461.10278	1.4
461.17834	0.8
461.23340	1.8
461.28787	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	461.2893
Annotation	Hyperielliptone HB
Peak:m/z	Relative Intensity
53.03931	3.4
54.49785	0.9
55.01857	3.7
55.05508	19.9
57.03429	5.4
58.13694	1.0
65.03930	2.6
67.05500	40.6
69.03415	2.9
69.07063	13.4
71.04980	4.0
79.05489	35.1
80.00119	1.1
81.03412	34.5
81.06577	2.0
81.07056	37.1
83.04972	6.3
83.08624	12.7
85.06537	3.0
91.05477	31.1
92.68681	0.9
93.07037	31.1
93.07626	1.9
95.04965	25.9
95.08604	15.0
97.06538	6.1
97.10171	8.4
99.08091	1.3
100.92829	0.9
103.05466	1.5
104.48666	1.0
105.07025	24.0
107.04955	10.6
107.08595	19.4
109.06529	4.9
109.10172	6.1
111.04377	1.4
111.08076	4.1
115.05461	3.2
116.17676	1.0
117.07010	12.2
119.04955	2.2
119.08567	13.0
121.06493	10.8
121.10139	8.5
123.08054	3.0
123.11693	1.2
125.09634	5.7
128.06224	1.6
129.06999	12.8
131.08559	14.2
133.06500	5.4
133.10133	8.8
135.08034	2.6
135.11658	4.0
137.05917	1.3
137.09660	1.6
141.07019	2.9
142.07802	1.7
143.08548	7.2
145.06487	9.7
145.10133	7.3
147.08070	5.7
147.11696	4.8
149.09587	4.5
149.13243	9.9
153.09084	1.3
155.08553	3.4
157.06483	1.4
157.10126	10.2
159.08060	2.6
159.11711	6.7
161.09633	2.7
163.11118	3.0
165.12772	1.5
167.08514	1.2
169.10129	3.3
171.08063	2.2
171.11720	3.2
173.09631	1.7
173.13260	2.1
175.11156	5.3
177.12738	4.9
181.10120	1.5
183.11717	3.5
185.09523	1.8
185.13235	2.6
189.09151	1.9
189.11205	3.0
189.12796	1.2
193.10565	1.8
193.12228	12.3
195.11761	1.7
195.13774	3.4
197.09518	1.3
197.13289	2.5
199.14897	3.0
201.12946	1.6
205.12225	1.5
207.11720	1.7
209.13213	1.8
213.12721	1.9
217.15788	5.2
223.13196	1.4
227.12766	1.9
231.13861	2.2
239.14311	1.5
249.14848	3.5
251.16483	1.3
257.15320	2.0
267.15994	2.0
271.16895	1.7
317.88345	1.3
323.23785	1.4
325.21555	1.1
341.24786	1.2
343.22803	5.1
351.23239	7.7
369.24261	15.1
387.25162	9.0
405.26627	1.1
407.25690	1.8
417.26260	6.4
425.27115	1.6
443.28006	21.2
461.28995	100.0
462.29428	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.5
55.01865	3.5
55.05504	15.9
57.03431	3.2
57.07067	1.3
62.05870	0.7
65.03924	2.0
67.05499	38.6
69.03429	1.2
69.07067	12.2
71.04977	2.8
77.03904	1.1
79.05484	32.4
81.03413	45.0
81.07051	45.4
83.04973	7.2
83.08617	14.4
85.02874	1.0
85.06532	2.3
89.55979	0.8
91.05470	30.0
93.07035	34.5
93.07625	1.8
95.04964	25.4
95.08598	15.3
97.02888	2.0
97.06509	6.7
97.10168	6.9
99.08081	2.3
105.07021	22.0
107.04945	7.2
107.08588	18.0
109.06515	3.8
109.10136	4.7
111.08076	8.8
115.05401	1.2
117.07012	8.5
119.04961	2.1
119.08565	11.6
121.06498	6.5
121.10137	11.1
123.08051	2.1
123.11749	1.8
125.09630	3.9
128.06203	1.6
129.07005	9.3
131.04886	1.2
131.08562	15.0
133.06499	5.3
133.10112	9.0
135.08080	3.3
135.11682	3.9
137.09572	1.6
141.06976	2.7
142.07753	2.1
143.07542	1.3
143.08522	5.3
145.06454	4.2
145.10114	6.7
147.08040	4.9
147.11653	6.2
149.09628	5.1
149.13246	17.3
153.01949	1.0
153.09064	1.1
155.08536	2.5
157.06532	0.9
157.10118	8.0
159.08075	2.3
159.11713	8.0
163.11151	2.6
165.12741	1.1
169.10104	2.6
171.11684	2.5
173.09602	1.4
173.13277	1.3
175.11176	7.2
176.22350	0.9
177.12717	4.4
177.62671	0.8
179.08583	1.0
183.11699	1.9
185.13222	2.0
187.14883	1.2
189.09288	2.1
189.11227	3.6
193.10518	0.9
193.12219	19.3
193.13838	1.3
195.13828	4.4
199.14856	2.6
207.13913	1.0
211.15018	1.0
213.12834	1.0
217.15907	3.2
225.12715	0.9
227.12697	1.8
231.13838	1.1
239.14311	1.4
243.13814	1.0
249.14883	3.0
252.97923	0.9
343.22736	5.1
351.23038	4.2
361.23663	2.3
369.24268	9.3
387.25262	8.6
405.26355	2.0
407.25751	1.3
417.26340	8.3
443.27792	13.7
461.28958	100.0
462.29431	3.7
480.51495	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.4
55.01877	3.8
55.05262	1.0
55.05508	13.4
55.05758	1.6
57.03448	4.7
57.07046	0.8
65.03927	1.7
67.05499	34.4
69.03413	1.4
69.07065	11.0
70.78773	1.9
70.79121	1.5
71.01337	1.1
71.04980	1.9
79.05485	24.5
81.03413	41.4
81.07050	37.5
83.04976	6.6
83.08615	13.6
85.02894	1.2
85.06529	2.5
91.05474	24.3
93.07035	30.2
95.04960	24.4
95.08594	12.8
96.44331	0.7
97.02885	1.3
97.06522	5.6
97.10181	3.7
97.10756	0.7
99.08060	1.4
103.05513	0.9
105.07027	15.5
107.04941	7.6
107.08587	14.6
109.06519	3.7
109.10150	2.9
111.08061	5.3
115.05442	2.1
117.07008	8.6
119.04933	1.3
119.08561	10.6
121.06487	6.0
121.10126	8.5
123.08054	2.9
123.11687	0.9
125.09628	4.1
128.06236	1.1
129.06999	9.2
131.04951	1.4
131.08556	13.4
133.06496	2.8
133.10114	6.2
135.08078	2.3
135.11699	2.5
137.09602	1.3
141.07037	1.9
142.07745	1.1
143.08546	3.6
144.98451	0.8
145.06473	3.4
145.10088	4.0
147.08052	3.5
147.11623	4.5
149.09634	2.6
149.13252	15.1
149.14365	1.1
153.09094	1.5
155.08551	2.1
157.10107	6.2
159.08069	1.4
159.11635	5.9
163.11237	1.4
165.12766	1.1
169.10123	1.8
171.08041	0.9
171.11664	2.0
173.09546	0.7
173.13170	0.7
175.11163	5.6
177.12697	4.0
181.10118	1.6
185.13246	0.7
187.11172	1.4
189.11223	2.4
189.12775	0.9
193.12222	19.0
195.12051	1.2
195.13771	5.8
197.13243	1.8
199.14841	1.7
201.12753	1.3
205.12271	1.1
213.12831	0.9
213.14896	1.0
215.14270	0.9
217.12347	1.2
217.15903	1.8
227.12694	0.8
231.13840	1.3
249.14922	3.7
257.15268	0.9
323.23483	0.8
341.24796	1.3
343.22620	5.7
351.23294	3.6
354.51627	0.8
361.23737	2.5
369.24207	9.4
387.25262	6.4
405.26340	0.9
410.84775	0.9
417.26315	8.1
443.27841	9.9
461.28979	100.0
462.29236	2.4
469.08127	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2504
Annotation	Trp Lys Gln
Peak:m/z	Relative Intensity
51.02342	0.3
51.36174	0.3
53.03936	0.3
55.05505	2.4
57.03418	0.4
57.07061	0.7
65.03937	0.7
67.05499	4.1
69.03405	1.2
69.07061	1.7
70.04063	4.6
70.06589	1.3
71.04966	0.5
79.01830	0.3
79.05483	3.3
81.03390	1.3
81.06637	0.4
81.07051	4.8
81.21657	0.3
83.04971	0.8
83.08587	1.3
85.02892	0.7
91.05470	5.0
91.33632	0.3
93.07033	3.1
95.04967	2.1
95.08607	3.1
97.02871	0.4
97.06503	0.6
97.10150	0.8
99.08072	0.8
103.05450	0.7
105.07032	3.2
107.04935	1.3
107.08588	2.1
109.02853	0.3
109.06497	0.7
109.10136	1.6
109.10867	0.3
111.08027	0.5
117.06999	1.2
119.04939	3.8
119.08577	2.2
121.06492	0.9
121.10136	1.9
123.04383	0.8
123.08063	0.5
123.11686	0.4
125.02288	0.6
125.09638	0.7
127.03899	0.7
128.06221	0.3
129.06963	1.1
131.04907	0.6
131.08571	1.8
133.06491	0.7
133.10117	1.4
135.04417	0.7
135.07993	0.6
135.11662	0.7
137.05962	0.8
139.03841	0.4
141.06999	0.5
143.03424	0.8
143.08450	0.9
145.06493	0.8
145.10112	1.1
147.04391	14.5
147.08051	0.9
147.11662	0.9
148.04736	0.5
149.09621	0.4
149.13260	0.5
151.03828	0.4
151.07538	0.5
153.01814	13.2
154.02135	0.7
155.08545	0.5
157.10069	1.0
157.73148	0.3
159.08020	0.7
159.11652	0.7
161.09564	0.6
161.13223	0.4
163.11082	0.6
165.09128	0.8
169.10098	0.6
171.11624	0.6
173.09540	0.6
173.13199	0.8
179.83331	0.3
181.09995	0.3
183.11603	0.5
185.09474	0.3
185.13197	0.4
187.14778	0.4
191.10579	0.4
195.11652	0.3
201.03656	0.4
231.06471	0.4
299.18192	0.4
319.14328	0.3
324.15405	0.4
341.24808	0.4
351.23108	0.9
369.24207	2.8
387.25214	1.6
405.26190	0.8
443.27759	2.6
443.35471	0.4
461.24808	100.0
462.25110	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.144
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.39478	0.2
53.03931	0.4
64.46976	0.2
69.03435	0.2
70.06644	1.2
79.05479	1.0
81.03389	0.3
81.07060	0.3
85.02904	0.5
87.31211	0.2
91.05495	0.3
94.35344	0.2
94.97166	0.2
95.04966	0.9
107.04945	73.2
108.05283	0.9
119.04951	0.4
123.04457	0.2
130.25110	0.2
133.10147	0.3
141.09747	0.2
147.04372	2.1
152.75816	0.3
153.01840	1.5
192.04135	0.9
193.04951	37.2
194.05284	0.8
299.09113	100.0
300.09485	2.3
356.26837	0.2
445.55157	0.3
461.14218	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.7
57.03427	2.6
61.02919	1.5
69.03425	10.7
69.75263	10.4
71.02068	1.3
73.02914	1.6
74.70419	1.2
81.03405	5.2
85.02422	2.2
85.02898	30.2
86.09703	1.6
87.04453	1.6
89.06008	4.3
91.05428	3.2
95.04933	2.8
97.02882	7.9
98.21417	1.8
99.04456	2.6
105.07038	7.9
107.04957	2.4
107.08574	7.1
109.02854	3.4
109.06470	4.0
113.06009	2.6
117.07045	2.4
119.04924	1.5
119.08594	8.7
121.06503	1.5
121.10103	1.5
122.74305	1.5
123.04413	2.7
127.03901	7.4
129.06931	2.5
131.08560	2.5
133.06496	8.2
133.10129	4.2
135.08041	4.3
139.03886	2.5
142.07744	6.1
143.08536	2.9
145.04944	5.1
145.06522	1.3
145.10098	9.9
147.04379	3.6
147.07986	2.0
147.11670	7.3
153.01793	8.9
157.10103	19.1
159.07944	1.9
159.11650	3.1
161.05991	2.3
161.09605	2.6
162.87468	1.3
163.07491	9.0
167.06998	2.0
173.09616	8.0
175.11185	26.6
185.09598	22.8
193.12212	4.3
201.09019	6.5
203.10641	63.1
213.09123	9.2
221.11699	20.2
231.10138	35.2
233.11670	1.6
245.11658	5.1
249.11191	38.7
263.12735	61.7
264.12729	1.7
264.15213	6.2
267.12216	4.9
281.13806	100.0
282.14023	3.3
299.14734	5.3
315.07288	1.7
461.20053	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	461.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01850	0.5
57.91449	0.3
59.47959	0.3
69.03436	0.5
69.37293	1.4
69.37719	1.7
79.05484	1.1
81.03407	0.5
85.02901	1.1
95.04935	1.8
97.02901	0.7
100.00036	0.3
105.04535	0.3
107.04949	100.0
108.05283	0.8
109.02863	0.3
119.03090	0.3
119.04892	0.6
121.02855	0.4
133.10144	0.4
139.03912	0.5
143.03444	0.4
147.04399	2.0
147.91948	0.3
151.03891	0.5
153.01794	1.8
161.06029	0.4
163.14818	0.3
165.01826	0.6
183.02898	0.7
189.05460	2.6
193.05020	1.1
202.06308	0.4
203.06999	1.6
204.04187	0.6
205.04947	16.9
206.05646	1.4
217.04974	2.7
217.08496	0.6
219.06641	0.5
226.31400	0.3
227.07047	0.9
229.04965	0.6
230.05692	0.8
231.02985	0.5
231.06494	5.5
234.05258	0.6
235.05998	12.6
243.06680	0.5
245.08073	2.8
254.05751	0.5
255.06541	0.6
259.05994	2.9
270.05484	0.4
271.06070	1.8
273.07535	0.7
282.05319	0.9
283.05994	0.8
299.09143	2.1
301.06937	2.0
311.09113	36.4
312.09528	1.0
323.09207	1.7
325.10565	0.5
335.09003	0.5
337.10629	3.4
339.08725	0.5
341.10193	35.6
342.10645	1.3
351.12302	4.2
361.10654	0.8
365.10175	24.6
366.10388	0.6
377.10187	4.9
379.11758	0.9
389.10141	5.6
395.11264	13.3
396.11618	0.7
401.43878	0.3
407.11212	11.5
408.11807	0.5
425.12326	11.5
443.13370	7.3
452.49030	0.3
461.14340	2.7
461.19354	0.4
461.25217	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1442
Annotation	Isoembigenin
Peak:m/z	Relative Intensity
51.02373	0.4
53.03940	0.9
55.01855	0.2
61.02921	0.3
62.79854	0.2
69.03404	0.3
70.06583	0.3
71.52223	0.5
79.01870	0.4
79.05498	1.5
81.03418	0.5
85.02910	0.5
89.66810	0.2
91.05441	0.3
95.04973	2.0
97.02863	0.3
106.73427	0.3
107.04951	100.0
108.05296	1.2
109.02874	0.4
119.04944	0.9
120.08092	0.3
120.42361	0.2
123.04429	1.0
127.03899	0.4
131.04947	0.3
139.03914	0.7
143.03380	0.5
147.04408	2.5
151.31660	0.3
153.01831	4.3
161.05992	0.4
164.76991	0.2
165.01727	0.6
165.05481	0.5
171.02928	0.3
177.05469	0.4
178.06155	0.3
181.04973	0.5
183.02963	0.4
189.05431	0.4
192.04216	0.3
193.04979	1.0
205.04945	12.2
206.05748	4.4
207.06430	0.4
213.84093	0.2
216.04210	0.3
217.04982	3.9
219.06517	2.3
219.54872	0.3
229.05009	0.3
231.06543	1.4
233.04483	0.8
234.05205	0.5
235.06001	17.6
236.06371	0.5
241.05028	0.6
243.02902	0.3
245.04391	0.4
245.08095	3.3
247.06113	1.0
259.06018	5.2
261.04016	1.1
263.12814	0.4
265.07080	0.3
273.07578	1.4
285.45358	0.3
289.07150	0.8
299.09088	0.5
301.06955	1.9
311.09149	10.9
312.09482	0.3
319.08118	1.9
323.09085	2.4
325.10675	0.6
339.08603	0.6
341.10190	17.5
342.10480	0.6
351.08572	0.3
351.12305	0.7
353.10278	0.7
365.10202	6.2
371.11230	1.1
377.10144	0.3
379.11810	1.1
395.11261	6.8
407.11197	3.3
425.12311	9.3
426.12943	0.3
443.13385	20.1
444.13852	0.8
461.14423	41.6
462.14709	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
53.03948	0.2
55.01879	0.3
55.05500	0.6
64.15291	0.2
65.03938	1.2
65.04254	0.2
67.05499	0.8
69.03423	2.7
69.07063	0.6
69.58270	0.2
69.61738	1.0
71.05009	0.3
79.01846	3.4
79.05471	0.7
81.03414	1.2
81.07058	1.4
83.08601	0.2
85.02887	0.7
85.60056	0.2
88.80708	0.2
91.05473	11.7
93.07037	0.7
95.04952	0.7
95.08616	1.3
97.02893	1.0
98.20813	0.4
99.04427	0.2
105.07037	1.0
107.01306	0.9
107.04938	0.7
107.08584	0.6
109.02859	0.7
109.10133	0.6
115.05476	0.2
117.06982	0.3
119.04933	26.3
119.08555	0.6
120.05251	0.2
121.06512	0.5
121.10128	0.5
123.04396	0.4
125.02343	2.5
125.09660	0.2
127.03890	1.0
129.06915	0.2
131.04884	0.5
131.08557	0.7
133.06467	0.4
133.10120	0.6
135.04379	0.2
135.08051	0.3
135.11679	0.3
139.03891	0.2
141.06989	0.4
143.03387	5.0
143.08537	0.2
145.10141	0.5
147.04399	100.0
148.04741	1.1
153.01816	66.6
153.02823	2.5
154.02144	0.5
157.06516	0.3
159.11713	0.2
165.06940	0.2
165.09172	0.3
167.07111	0.3
169.06485	0.3
169.09972	0.2
173.13150	0.2
185.06052	0.6
187.07538	0.8
189.47304	0.2
203.06932	0.4
211.07497	0.4
213.03706	1.0
213.05530	0.5
227.07034	0.3
231.06490	2.3
255.06522	0.4
273.07520	0.6
279.05081	0.3
291.08490	0.3
297.05881	0.3
299.12799	0.3
299.18573	0.2
299.20251	0.2
304.62595	0.2
309.11005	0.2
369.23676	0.2
443.09793	1.6
443.27829	0.5
460.27325	0.2
461.10562	2.1
461.28662	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01616	0.2
51.02382	0.4
54.61140	0.1
55.01863	0.3
55.05501	0.2
57.02607	0.1
57.36363	0.1
60.25089	0.1
60.63703	0.2
65.03917	1.1
67.05500	0.6
68.99814	0.2
69.03420	1.1
69.07088	0.4
70.20092	0.1
70.20396	0.8
70.53403	0.2
71.04968	0.2
79.01856	2.4
79.05495	0.6
81.03411	0.7
81.07047	0.9
83.04941	0.2
83.08634	0.3
85.02926	0.4
87.15533	0.2
88.65984	0.1
91.05480	11.7
91.74384	0.2
93.07038	0.6
95.04971	0.3
95.08605	0.8
97.02904	0.6
97.10166	0.3
99.02390	0.2
105.07027	0.5
107.01321	0.5
107.04935	0.4
107.08578	0.5
109.02891	0.4
109.10159	0.5
111.06087	0.2
115.05489	0.2
119.04942	25.8
119.08582	0.5
119.54813	0.2
121.06580	0.2
121.10165	0.4
123.04426	0.4
125.02335	2.1
127.03907	0.6
131.04901	0.3
131.08566	0.4
133.06468	0.2
133.10147	0.4
133.34460	0.2
139.03885	0.3
141.06996	0.4
142.65819	0.1
143.03403	4.3
143.08513	0.3
144.05699	0.2
145.06453	0.4
145.10156	0.4
147.04405	100.0
148.03726	0.2
148.04736	0.9
151.03841	0.2
153.01825	55.4
153.02789	2.2
154.02208	0.4
157.06450	0.5
157.10161	0.2
159.08072	0.3
159.11792	0.2
165.06950	0.3
165.09177	0.2
167.07056	0.2
169.06483	0.4
173.13339	0.2
175.11081	0.2
185.06029	0.7
187.07549	1.2
203.07027	0.4
211.07504	0.6
213.03638	0.7
213.05658	0.8
227.07050	0.4
231.06540	3.7
255.06435	0.8
255.17844	0.2
273.07581	0.8
443.09641	2.2
443.27786	0.2
461.10504	0.5
461.23575	0.5
461.28894	0.7
471.54480	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.7
56.05033	0.6
57.05806	0.9
69.03424	1.3
69.84117	1.2
69.84528	1.6
72.08150	100.0
73.08482	0.6
85.02893	3.0
93.69436	0.4
97.02934	1.1
102.30006	0.5
113.86609	0.5
118.08647	88.0
119.09016	0.7
126.92742	0.4
127.03905	2.2
135.75165	0.5
145.04977	1.5
147.04408	1.0
150.05820	0.7
163.06027	0.8
192.35202	0.5
214.34311	0.5
256.33127	0.5
462.56952	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.05508	8.9
56.05027	1.7
57.03430	0.9
57.05803	0.8
57.38839	0.5
68.52602	0.5
69.03413	3.2
70.06550	0.5
70.74828	1.7
72.08147	100.0
73.02911	1.0
74.06070	1.0
81.03427	0.9
84.04503	1.5
85.02899	8.0
87.04452	0.7
91.03950	0.5
91.05471	1.3
97.02885	3.5
98.97562	0.9
101.02412	0.6
108.09212	0.4
109.02883	0.7
116.07098	0.6
116.98608	0.9
118.08642	85.5
119.01826	0.7
119.04949	1.8
119.08971	0.7
123.04413	0.9
127.03902	4.9
130.04941	0.7
134.99608	0.9
136.06248	0.6
136.07549	0.7
137.05974	0.5
139.03897	0.6
145.04909	3.9
147.03212	1.0
147.04384	14.6
148.06035	0.5
150.05791	0.6
153.01851	2.3
161.02985	0.7
165.63635	0.5
167.06984	1.1
169.37241	0.6
177.04028	0.8
177.05515	0.7
178.04968	1.2
182.08141	0.7
193.03749	0.6
219.01726	1.2
232.16255	0.6
237.02731	1.1
245.05032	1.0
267.06995	1.2
273.58142	1.0
274.07962	1.0
281.06943	0.5
285.05243	0.6
298.03333	2.1
303.01123	1.8
340.60510	0.6
394.99100	0.7
427.76657	0.5
460.13043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3833
Annotation	Salvinemorol
Peak:m/z	Relative Intensity
53.03920	2.3
55.05503	11.6
57.07062	6.5
59.04980	3.6
63.18541	1.6
65.03928	1.8
67.05495	29.9
69.03416	1.9
69.07063	30.0
69.12967	1.5
70.14517	3.4
70.14933	5.8
79.05483	13.0
81.06581	4.6
81.07051	69.1
83.08622	9.7
85.06569	4.5
87.40596	1.6
91.05460	11.1
93.07037	36.1
95.04984	5.5
95.08601	100.0
96.08927	2.3
97.06561	3.1
97.10172	6.1
98.21564	2.5
99.08136	2.5
105.07014	29.9
107.08584	72.5
107.09270	4.0
108.08953	2.3
109.06558	5.6
109.10149	72.4
110.10487	3.0
111.08107	5.0
111.11726	9.3
113.09635	4.6
117.06999	2.4
119.08579	48.9
121.06537	2.5
121.10132	43.7
122.10529	2.7
123.08109	4.8
123.11695	96.0
125.09667	3.3
125.59046	1.8
127.11167	2.2
131.08510	8.9
133.10132	40.7
135.08060	4.5
135.11681	35.4
136.12051	2.6
137.09636	3.5
137.13254	19.0
137.14114	2.1
139.11214	3.9
143.08601	3.6
145.10141	36.6
147.11684	25.1
149.09633	2.7
149.13257	19.0
150.49205	1.9
151.10141	1.7
151.11160	11.2
151.14879	4.5
157.10193	7.9
158.10970	2.3
159.11679	18.8
161.13226	20.5
161.14404	1.8
163.11218	4.8
163.14787	20.6
165.09074	2.0
165.12822	2.1
169.12254	3.9
171.11688	4.6
172.12575	1.7
173.13231	14.4
175.14835	13.5
177.12880	3.3
177.16351	15.2
179.14330	2.6
179.17955	2.0
185.13264	8.8
187.14812	44.5
187.16400	2.6
189.16388	29.0
191.14316	4.5
191.17969	10.9
195.13985	1.8
197.13362	2.2
199.14876	5.5
201.16469	6.0
203.14445	2.7
203.17937	15.9
205.15855	26.1
205.19472	15.2
207.17439	60.0
209.15378	1.9
211.14812	3.9
213.16357	9.7
215.17914	8.9
216.14680	2.6
217.15913	3.6
217.19466	8.8
219.17511	2.9
219.21159	5.5
221.18997	19.0
223.16972	2.3
226.24747	2.0
227.18074	5.0
229.01166	2.0
229.19716	2.7
230.49110	1.9
231.17545	6.3
231.21158	5.8
235.17072	2.6
241.19661	6.8
245.19070	2.8
245.22675	9.7
255.21092	3.4
257.22705	5.1
259.24268	7.4
267.21078	2.1
271.24268	4.3
273.22549	1.9
273.25870	4.8
283.24213	11.5
295.24445	2.9
297.25928	5.8
301.25211	9.5
331.98730	1.9
342.48187	1.8
349.28961	2.5
405.35144	60.4
406.35693	2.4
423.36194	71.0
441.37271	48.4
459.38483	80.6
460.38904	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	459.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	7.5
57.07059	6.3
59.23935	1.6
67.05512	12.0
69.03391	2.5
69.07069	14.8
69.42292	12.7
69.42709	4.4
78.60564	1.7
78.85449	1.9
79.05489	8.4
81.06594	1.7
81.07050	27.9
83.08596	4.9
85.06530	2.5
86.13391	1.9
91.05475	6.5
93.07048	16.4
95.04961	2.2
95.08610	49.5
96.08922	2.7
97.10160	3.7
98.24078	1.9
99.08083	1.9
105.07043	15.2
107.08591	36.0
108.93448	1.7
109.06495	2.6
109.10157	34.6
111.08076	2.1
111.11699	4.3
113.09609	1.7
117.06979	2.0
119.08575	33.0
121.10143	26.8
122.62206	1.7
123.08012	3.4
123.11703	32.2
131.08577	6.1
133.10135	29.8
135.08054	2.7
135.11685	29.6
137.09599	3.2
137.13237	6.5
139.07402	2.0
145.10094	12.7
147.11673	18.6
149.09552	1.9
149.13240	12.2
151.11188	5.9
157.10143	5.7
159.11694	10.0
159.32751	1.9
161.13315	9.7
163.14815	12.0
171.11674	3.5
173.09515	2.0
173.13232	6.0
175.14792	7.0
177.16379	7.6
179.14270	3.3
185.13286	4.9
187.14832	16.7
189.14769	2.7
189.16396	42.3
191.17914	6.1
199.14836	3.4
201.16373	6.5
203.17973	8.7
205.15900	10.7
205.19536	4.4
207.17436	100.0
208.17818	2.5
213.16362	6.0
215.17943	6.0
217.19548	10.4
221.96805	1.7
223.14844	1.9
227.17778	2.2
231.17593	2.1
245.22617	3.3
251.16394	2.0
266.57574	1.9
283.24167	3.4
301.25165	2.1
405.35202	23.0
406.35501	1.9
423.36340	22.0
441.37045	8.9
459.34537	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	459.3832
Annotation	Salvinemorol
Peak:m/z	Relative Intensity
53.03943	3.5
55.05510	9.5
55.38559	2.8
57.07051	5.0
67.05506	24.1
69.03404	3.9
69.07065	38.4
70.04862	8.8
70.05283	7.0
79.05479	13.2
81.07050	80.2
83.04972	3.2
83.08607	11.2
83.09041	3.3
85.06531	5.4
88.30558	3.0
91.05472	17.5
93.07041	39.0
95.04963	7.4
95.08603	100.0
97.06541	3.8
97.10192	7.6
98.20801	4.3
103.04456	3.0
105.07018	28.4
107.08585	83.3
109.06524	5.4
109.10145	76.4
111.08090	3.5
111.11708	10.0
117.07022	3.8
117.40624	2.9
119.08585	50.3
121.06420	3.1
121.10130	47.6
123.08084	6.9
123.11699	99.0
125.09605	4.3
131.08582	13.1
133.10139	45.1
135.08049	4.4
135.11674	37.1
137.09624	4.2
137.13257	17.8
139.11229	3.8
143.08574	4.5
145.10127	39.7
147.11705	29.7
149.13266	12.8
151.11104	9.0
151.14764	5.7
157.10132	10.6
159.11705	24.9
161.13277	22.9
163.11151	7.4
163.14842	16.3
165.12701	4.1
169.12190	6.5
171.11697	6.3
173.13330	16.9
175.14825	13.3
177.16415	16.7
179.17902	5.5
185.13237	11.6
187.14801	42.6
189.16336	32.8
191.14294	4.3
191.17960	10.7
199.14772	7.9
201.16417	14.0
203.14323	5.5
203.17924	14.1
205.15878	38.5
205.19545	10.3
207.17430	58.9
213.16345	10.8
215.17902	11.8
217.15959	4.0
217.19505	9.6
219.21143	4.1
221.19031	21.3
227.17981	7.3
229.19490	6.3
231.17564	3.5
231.21109	6.4
241.19455	5.0
242.72736	3.5
245.18962	4.5
245.22675	10.4
257.22595	6.4
259.24255	4.1
260.82547	3.3
271.23978	4.7
273.25616	4.6
283.24234	15.0
297.25955	4.6
301.25262	11.6
347.09671	3.3
405.35120	73.1
423.30963	4.4
423.36310	61.4
441.37436	41.3
459.31000	15.4
459.38361	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	8.6
57.07082	4.9
67.05495	28.1
69.07066	33.5
71.27102	8.1
75.80368	3.1
79.05488	8.4
81.07054	48.1
83.08617	12.9
91.05509	5.6
93.07029	32.2
95.08600	91.8
97.10182	5.9
105.07018	20.5
107.08585	50.6
109.09453	7.3
109.10149	100.0
111.11705	15.6
119.08578	22.8
121.10134	50.3
123.11682	48.2
133.10117	16.3
135.11702	26.9
137.13281	20.6
147.11655	20.2
149.13251	27.8
151.14761	6.3
159.11664	6.3
161.13284	15.7
163.14807	23.0
172.87744	4.0
175.14842	15.7
177.16451	10.4
189.16360	5.7
191.17970	12.0
201.16364	4.5
203.17986	13.1
205.19518	37.8
213.33505	3.7
216.78572	4.3
217.19585	6.4
219.21059	10.5
221.19200	4.0
231.20999	4.0
301.28870	9.4
345.27884	7.6
367.33392	4.3
385.34592	15.6
441.37357	36.6
459.39508	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	459.383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	8.6
57.07047	4.6
67.05512	30.6
69.04474	4.1
69.07066	34.7
70.54398	17.3
79.05471	11.0
81.07056	50.1
81.69312	4.7
83.08609	11.3
90.67245	4.3
91.05457	5.3
93.07037	35.8
95.08598	99.4
97.10138	8.7
102.62830	3.9
105.07033	11.2
107.08575	49.3
109.09457	7.0
109.10154	100.0
111.11714	14.6
119.08580	18.6
121.10148	54.1
123.08033	5.5
123.11691	35.7
133.10101	16.9
135.11696	28.5
137.13254	7.5
141.83820	4.9
147.11676	15.8
149.13263	20.9
161.13260	12.7
163.14787	21.5
175.14806	8.7
177.16359	13.4
189.16379	8.8
191.17931	14.3
203.17931	10.5
205.19557	27.1
217.19493	5.7
219.21082	8.3
226.10851	4.7
254.76926	4.5
288.77658	4.5
301.28690	4.7
345.27921	9.9
385.34729	10.4
401.54672	5.0
420.36603	5.1
441.37253	56.2
459.38333	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	459.3467
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
54.01343	1.9
55.05505	10.6
57.07060	5.5
57.85833	2.1
67.05502	23.6
69.07069	31.9
71.47060	2.2
76.48466	2.1
79.05470	9.2
81.07055	47.1
81.29444	2.0
83.08609	9.4
85.06531	4.7
91.05463	13.1
93.07044	22.1
95.04937	2.6
95.08602	100.0
97.06541	2.3
97.10168	5.4
105.07030	24.6
107.08593	47.2
109.10149	82.5
111.11704	14.8
117.07023	4.0
119.08586	31.1
121.06481	3.4
121.10132	37.4
123.08069	3.7
123.11704	32.3
125.09620	2.7
129.06940	2.5
131.08556	10.0
133.10129	26.6
135.07950	3.5
135.11691	25.4
137.09579	2.6
137.13278	18.5
143.08542	8.7
145.10115	17.1
147.11685	17.3
149.09621	2.9
149.13261	26.8
153.09099	3.0
157.08580	2.9
157.10127	6.2
159.11667	23.7
161.13292	10.4
163.07480	3.2
163.11154	2.8
163.14830	13.1
165.09053	2.7
166.80595	2.2
167.10588	2.8
169.10062	3.9
171.11636	5.7
173.13254	10.2
175.11221	4.7
175.14783	5.2
177.09161	2.5
177.12675	5.6
177.16333	9.6
183.11800	3.0
185.13263	5.8
187.14766	7.1
189.09006	2.6
189.12741	5.1
189.16386	5.9
191.17923	10.6
193.12215	4.6
199.14842	3.5
201.16388	4.9
203.14374	2.4
203.17900	6.1
205.12236	15.9
205.19531	44.7
207.13780	2.4
213.16374	4.8
215.17920	4.0
217.19524	6.3
219.13780	9.4
219.21071	6.7
229.19637	2.3
229.27522	2.5
231.13799	2.9
233.15424	2.8
235.13222	3.0
237.14809	5.3
245.15402	2.9
245.22473	2.0
253.19511	2.6
257.22528	3.0
313.28741	3.3
363.30200	2.7
381.31671	12.3
383.29483	4.7
411.32300	19.4
423.32074	13.6
429.33344	4.4
441.27811	3.9
441.33551	61.1
459.30283	20.7
459.34930	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	459.3467
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
55.05500	10.6
56.34415	2.0
57.07067	6.6
67.05503	17.4
69.03411	2.7
69.07066	32.0
71.04989	3.1
71.60310	4.4
75.20271	2.2
79.05066	2.6
79.05492	10.3
81.07048	32.1
83.08605	10.4
85.06529	7.5
91.05463	12.8
91.42830	2.6
93.07041	19.0
95.04984	2.5
95.08604	58.1
97.06547	5.1
97.10159	7.3
105.07009	23.7
107.04932	2.4
107.08587	48.2
109.06511	6.9
109.09455	4.4
109.10150	54.3
111.08054	4.2
111.11689	7.1
117.07011	3.4
119.08573	50.3
121.06505	2.7
121.10128	48.3
123.08063	38.2
123.11681	19.9
125.09618	12.3
125.92424	2.7
131.08554	6.5
133.10127	44.6
135.08061	7.8
135.11693	39.3
137.09589	5.4
137.13243	6.8
139.07507	4.2
143.08539	5.5
145.10153	14.1
147.08034	3.6
147.11679	28.4
149.09613	6.0
149.13257	11.5
151.07489	7.6
151.11157	3.6
151.14862	5.7
153.09123	2.7
157.10027	5.6
159.11702	17.4
161.13280	19.4
163.11118	3.0
163.14784	8.9
165.12682	3.1
169.09901	2.4
171.11646	4.9
173.13260	11.3
175.11241	3.3
175.14758	16.6
177.12735	10.4
177.16354	15.9
185.11572	2.2
185.13168	3.5
187.14803	7.8
189.12791	3.7
189.16440	14.0
191.10664	10.7
191.14255	5.3
191.17950	8.1
195.13705	2.3
201.16371	39.5
203.14363	6.8
203.17940	78.5
204.18387	3.4
205.19492	9.7
207.13760	5.8
211.13211	3.3
215.17953	6.2
217.19498	20.1
221.15446	11.2
225.99796	2.5
233.15292	3.5
237.14801	9.9
251.16472	3.7
274.69580	2.8
301.14044	8.7
307.23779	2.7
313.21664	3.8
327.22971	2.4
381.31406	4.4
395.84372	2.8
423.32437	23.4
441.33630	100.0
442.33698	5.5
459.34711	41.4
460.34882	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	459.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.2
55.01854	6.5
55.05259	3.6
55.05507	47.1
57.03432	6.1
57.07073	2.4
65.03945	3.2
67.05170	3.4
67.05502	48.1
69.03424	5.3
69.07063	19.2
69.48893	4.4
69.49304	17.1
69.95448	2.5
71.05003	2.6
79.05484	45.5
81.03390	3.4
81.07053	43.2
83.04975	8.2
83.08610	22.3
85.06522	3.8
88.56355	2.0
91.05473	35.8
92.00192	2.0
93.07046	35.3
95.04947	7.3
95.08598	30.4
97.10155	40.3
98.21485	4.9
103.05470	20.4
105.07019	33.1
107.04948	9.0
107.08593	37.4
109.06496	3.3
109.10137	21.5
111.08075	3.7
115.05452	10.8
116.06263	2.5
117.06218	3.9
117.07011	48.7
119.04980	2.6
119.08578	25.8
121.06497	3.8
121.10141	17.3
123.08063	3.4
123.11645	3.0
125.09599	33.4
128.06230	3.9
129.06993	22.7
131.04904	5.9
131.08557	39.6
133.06502	6.7
133.10156	13.9
135.08070	10.0
135.11647	6.2
137.09564	2.6
141.06960	11.6
142.07829	3.4
143.08537	11.9
143.21901	2.1
145.06474	12.6
145.10123	16.2
147.08072	5.1
147.11656	7.7
149.09581	5.9
149.13245	25.7
151.11183	2.3
153.06940	2.2
153.09081	6.3
155.08551	13.7
156.09351	4.6
157.06529	5.6
157.10152	6.7
159.08073	5.8
159.11661	6.2
161.09532	2.5
161.13187	2.9
163.11211	3.1
163.14825	21.6
167.08528	4.3
169.10094	5.8
171.08044	3.3
171.10236	2.5
171.11671	9.2
173.13229	3.9
175.11134	3.4
175.14870	4.3
177.16374	20.3
180.09377	3.0
181.10013	4.0
185.13252	5.1
187.11247	2.4
187.14795	22.3
189.11203	24.1
189.12712	3.4
189.16382	8.0
192.96350	2.0
193.12216	2.3
195.11742	5.7
197.13211	19.0
203.17952	3.0
211.14890	2.7
213.12794	4.7
215.14294	73.9
221.13199	2.4
223.11237	3.5
227.12715	29.0
231.13696	2.4
233.15427	3.0
233.18916	2.1
241.12143	5.2
241.15727	3.5
259.13269	2.6
269.15378	2.9
271.16953	6.2
339.23199	6.0
349.21597	12.4
357.24619	2.3
367.22772	30.4
385.23788	22.4
403.24921	4.7
423.25043	3.4
441.26361	60.5
441.33426	7.2
442.26611	3.0
459.27335	100.0
459.34592	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	459.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
55.01869	4.8
55.05268	1.0
55.05507	15.2
57.03430	4.2
57.07074	1.0
59.57278	0.6
65.03924	1.6
67.05499	22.6
69.03419	2.9
69.07058	5.4
70.05246	0.6
70.28470	2.7
71.04979	2.4
79.05489	24.6
81.03412	58.8
81.07047	22.3
83.04964	4.4
83.08140	0.9
83.08615	16.3
85.02895	1.3
85.06528	1.1
91.05471	24.1
93.07030	12.9
95.04963	22.5
95.08595	10.6
97.02874	1.9
97.06516	2.8
97.10162	11.8
99.08053	0.7
103.05471	1.1
105.03386	0.6
105.07024	17.6
107.04939	11.3
107.08586	9.9
109.02863	1.5
109.06492	4.2
109.10141	6.5
111.04427	1.5
111.08080	5.6
113.06020	0.7
115.05453	2.8
117.07000	7.8
119.04927	1.2
119.08574	13.0
121.06480	8.6
121.10130	6.5
123.04416	2.2
123.08083	2.9
123.11721	1.5
125.05954	0.7
125.09621	8.8
128.06219	1.9
129.06992	14.0
131.04901	4.3
131.08553	13.0
133.06450	6.0
133.10123	7.9
135.04361	1.0
135.08018	3.1
135.11684	2.6
137.05978	0.7
137.09605	2.0
141.06953	2.3
142.07761	2.1
143.08507	4.4
144.05687	1.3
145.06471	17.3
145.10103	5.4
147.04411	1.6
147.08029	6.0
147.11678	7.3
149.05995	0.8
149.09613	4.9
149.13239	0.9
151.07529	1.4
151.11159	0.9
153.09068	2.0
155.08534	3.1
157.06487	3.9
157.10114	9.3
158.07349	0.8
159.08023	4.2
159.11661	2.4
161.06001	2.7
161.09593	2.6
161.13168	0.7
163.07491	0.8
163.11162	1.8
165.07016	0.7
165.09065	2.2
165.12718	1.4
167.08592	1.5
169.06505	2.2
169.10120	2.1
171.08020	3.8
171.11681	2.3
173.09592	2.1
175.07483	0.7
175.11145	8.7
177.12718	0.7
179.08507	0.9
181.06396	0.9
181.10123	1.8
183.08041	1.7
183.11679	1.2
185.09639	2.4
185.13266	1.2
187.11125	2.1
187.14790	1.3
189.11212	4.0
189.12766	1.2
191.10698	0.9
193.10417	1.2
193.12225	33.6
194.12584	0.7
195.08051	1.0
195.11674	4.0
197.09521	1.0
197.13242	2.6
199.11197	2.1
201.12866	1.1
203.14272	0.9
205.12299	1.3
207.11679	1.0
207.13522	0.8
209.09578	0.8
209.13211	0.7
211.11218	1.7
211.13214	1.1
213.12741	1.9
215.14308	2.8
223.11176	1.0
225.12683	1.3
227.14273	1.8
231.13794	1.3
233.15327	2.9
237.12804	2.2
239.14296	1.5
241.16022	0.7
243.13799	1.1
249.14812	3.9
255.13754	4.6
257.15329	0.9
269.15363	0.9
271.16824	1.2
273.14847	14.3
275.16635	0.8
281.15637	0.8
287.16315	1.9
295.17099	1.1
311.16345	1.7
321.21924	0.9
339.23160	3.3
349.21622	11.6
357.24109	3.0
360.09198	0.7
367.22647	28.3
385.23715	28.3
386.23993	0.7
403.24716	6.6
405.24173	2.8
423.25064	2.0
441.26367	6.5
459.27368	100.0
460.27524	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01870	4.2
55.05509	16.5
57.03431	2.8
57.07065	1.2
59.05001	0.9
59.18529	0.4
65.03934	1.7
67.05502	23.8
69.03434	3.0
69.07066	9.7
70.04076	11.3
70.99624	1.2
71.03812	0.4
71.04420	0.5
71.04994	2.0
77.03929	0.7
79.05490	24.0
79.46383	0.4
81.03416	44.9
81.07053	25.5
83.04977	6.9
83.08614	14.9
85.02887	1.8
85.06528	1.4
91.05476	25.1
93.03402	0.7
93.07040	16.5
93.10047	0.4
95.04964	19.8
95.08602	15.0
97.02878	2.0
97.06544	3.0
97.10168	11.0
99.04419	0.5
99.08086	1.9
103.05457	1.1
105.04541	0.6
105.07027	19.1
107.04950	11.2
107.07853	0.8
107.08585	10.1
109.02908	0.7
109.06522	4.6
109.10148	9.9
111.04442	1.0
111.08067	5.7
111.11706	1.0
113.05960	0.6
115.05431	2.6
116.06212	0.4
117.07009	5.3
119.04939	1.8
119.06123	0.4
119.08571	12.2
121.06488	6.8
121.10144	6.2
123.04427	1.2
123.08074	3.4
123.11694	2.9
125.09628	8.0
125.13226	0.5
127.03908	1.0
127.05653	0.3
127.07544	0.6
128.06206	1.8
129.06996	11.0
129.07909	0.9
131.04906	3.0
131.08560	11.8
133.06480	5.6
133.10120	8.8
135.04442	0.9
135.08035	3.1
135.11678	2.9
137.05978	1.0
137.09598	2.4
137.13251	1.1
139.07617	0.6
141.06998	2.4
142.07765	2.3
143.08556	4.0
143.10710	0.4
144.05733	0.8
145.06479	11.7
145.10126	4.1
147.04376	1.2
147.08034	5.2
147.11684	8.9
149.09642	3.8
149.13237	1.6
151.07547	1.2
151.11198	1.0
151.14804	0.5
153.09056	2.2
153.12762	0.8
154.07996	0.5
155.08505	2.4
157.06522	2.6
157.10129	9.0
159.08055	3.4
159.11696	1.6
161.05998	2.2
161.09633	3.1
163.07559	0.8
163.11206	2.4
163.14859	1.0
165.07048	0.6
165.09094	3.4
165.12781	1.3
165.16273	0.7
166.07741	0.4
167.07043	0.5
167.08546	1.7
169.06454	1.0
169.10123	2.7
171.08032	2.5
171.10312	0.7
171.11589	2.2
173.05901	0.5
173.09630	1.7
173.13249	0.7
175.07550	0.9
175.11169	9.0
175.14751	0.4
177.05292	0.5
177.09267	0.5
177.16397	0.6
179.08501	0.7
181.06407	0.5
181.10158	1.8
183.07928	0.8
183.11707	1.3
184.08778	0.4
185.09657	2.2
185.13251	1.6
187.11174	1.3
187.14841	0.9
189.09430	0.7
189.11223	4.0
189.12773	1.0
189.16516	0.6
191.10707	0.6
193.12233	24.1
195.08090	1.0
195.11676	2.7
197.09656	1.5
197.13203	2.1
199.11159	2.7
201.12743	0.7
203.14346	0.5
205.12213	0.9
205.15907	0.4
207.11774	0.8
207.13756	0.6
209.09616	0.4
209.13222	1.4
211.11168	1.3
211.13277	1.6
213.12740	1.6
215.14339	2.2
216.14830	0.4
217.12225	0.7
219.11665	0.6
221.13211	0.5
223.11229	0.9
223.13116	0.7
223.14969	0.6
225.12798	1.1
227.12447	0.5
227.14420	2.2
231.13811	1.3
233.15324	2.8
235.11293	0.7
237.12654	2.0
239.14310	0.6
243.13869	0.7
245.15575	0.8
249.14848	3.4
251.14421	0.8
255.13809	3.0
257.15335	1.0
259.13229	0.9
261.25778	1.2
267.15918	1.5
269.15332	0.9
271.16925	1.5
273.14862	9.8
279.26874	1.5
283.16885	0.7
287.16455	1.4
289.18161	0.5
293.51028	0.4
297.27847	1.0
321.22156	0.9
339.23169	3.0
347.18317	0.8
349.21603	10.1
349.25668	0.7
357.24207	3.0
367.22668	22.0
368.23041	0.7
385.23724	23.5
386.24091	1.1
395.25580	0.5
403.24695	4.4
405.24265	2.5
423.25446	1.5
441.26434	5.3
441.32416	0.4
459.27386	100.0
460.27859	3.1
469.10059	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73294	0.8
53.03928	1.0
55.05511	4.6
56.52680	0.7
56.60907	0.8
57.07064	1.7
59.04984	1.5
66.85770	0.7
67.05169	1.0
67.05498	12.1
69.03413	6.3
69.07068	8.7
70.61037	1.1
70.61437	1.8
71.04978	3.1
71.08615	0.9
78.23495	0.8
79.05488	3.0
81.03416	3.6
81.07044	13.5
83.04977	6.9
83.08601	5.4
84.08114	0.7
85.02908	7.7
85.06513	2.2
87.00816	2.8
87.08119	1.0
89.07159	0.8
91.05460	2.9
93.07029	7.2
95.04980	1.7
95.08594	25.2
97.02879	2.5
97.06513	0.7
97.10145	2.0
98.21019	1.6
99.04443	0.9
99.08081	3.2
105.01851	1.6
105.06989	4.3
107.04941	1.3
107.08586	17.3
109.02866	2.6
109.06509	8.7
109.10147	73.0
110.10479	1.0
111.08055	3.3
112.85416	0.7
113.09604	1.6
119.08568	22.9
121.10119	10.0
123.04433	3.5
123.08067	10.7
123.11679	6.9
125.09575	1.0
127.03880	3.1
127.11158	0.9
131.08575	0.7
133.10124	15.6
135.11679	62.8
136.12024	1.0
137.09595	15.0
139.03914	3.8
139.11165	1.3
145.04965	1.1
147.04404	1.2
147.11694	0.8
147.22778	0.7
149.13252	4.9
151.11191	7.1
151.14809	9.1
153.01804	1.3
153.12695	1.7
165.16347	2.2
167.07057	0.8
175.14810	28.2
191.14218	1.0
193.15863	41.8
211.16913	100.0
212.17238	2.7
216.37817	0.7
234.08574	1.0
249.10948	0.8
273.07715	1.5
275.02094	0.9
296.75064	0.8
384.43277	0.8
459.15912	1.8
459.26300	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	459.0919
Annotation	Epigallocatechin Gallate
Peak:m/z	Relative Intensity
51.02389	0.2
53.00299	0.9
55.01860	0.5
56.05017	0.2
65.03942	1.4
67.05493	0.4
68.99793	0.8
69.03422	0.3
70.06575	0.6
71.04969	0.2
71.60470	0.3
73.72938	0.2
79.01859	1.0
79.05485	0.2
83.04974	0.5
85.02881	0.2
85.07678	0.4
93.03380	0.4
95.04969	0.3
97.02876	0.4
107.01312	0.3
107.04940	0.5
107.33903	0.2
111.00828	0.3
111.04444	1.7
121.02854	1.2
123.04427	2.9
125.02372	0.6
127.03903	0.7
131.04881	0.2
133.02838	0.3
135.04398	0.6
139.03894	100.0
140.04243	1.6
143.03398	1.9
145.02873	0.2
149.05905	0.3
150.50662	0.2
151.03891	8.9
153.01822	16.4
153.02859	0.7
159.04399	0.3
161.05896	0.2
163.03917	3.9
167.07001	0.3
175.03969	0.3
177.05453	0.5
179.06985	0.5
181.04947	2.1
195.06596	0.5
195.10191	0.2
205.04982	1.7
223.05986	0.2
243.06445	0.2
247.06001	0.3
258.98535	0.2
271.06009	0.4
289.07047	4.2
290.07468	0.2
307.08127	1.5
383.74731	0.2
431.19400	0.2
459.17447	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06106	0.7
53.03940	1.2
55.01851	0.8
55.05507	7.0
57.03424	1.0
57.07068	2.4
59.04994	1.7
61.02915	1.1
62.22775	0.7
67.05499	12.0
68.99799	0.9
69.03425	6.7
69.07063	10.0
70.72507	2.8
71.04987	2.1
79.05495	3.2
81.03410	1.9
81.07053	14.7
83.04970	7.5
83.08609	4.6
85.02911	5.7
85.06535	2.7
85.98460	0.9
87.00821	2.5
89.07156	1.1
91.05476	2.6
93.07035	6.5
95.04951	2.1
95.08599	21.8
95.09163	1.8
97.02882	2.4
97.06504	1.7
97.10139	2.4
99.04456	0.8
99.08085	3.4
104.47611	0.9
105.01847	1.8
105.07034	5.8
107.08585	18.3
109.02880	2.9
109.06538	7.7
109.10148	75.6
110.10509	0.9
111.08069	2.7
113.09644	1.4
119.08569	25.3
121.10143	10.1
123.04446	2.7
123.08064	9.9
123.11716	7.6
125.09679	0.9
127.03898	3.8
133.10124	14.7
135.11681	66.6
136.12009	0.8
137.09601	11.6
139.03896	1.4
139.11200	2.0
139.62355	0.9
145.04973	2.0
147.11687	1.3
149.13260	6.5
151.11182	7.5
151.14798	9.4
153.12759	1.7
165.16405	2.5
167.07094	1.1
175.14812	30.0
193.14503	0.7
193.15868	39.3
211.16917	100.0
212.17209	2.2
273.07541	1.2
459.20972	1.1
459.26288	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37045	0.3
58.61747	0.4
69.03424	0.7
69.07072	0.4
70.06606	0.6
79.05487	0.6
81.03421	0.6
85.02905	1.6
85.06541	1.2
91.05479	0.7
93.07044	1.3
95.04939	0.5
97.02882	0.8
103.05457	4.7
107.04944	2.2
109.02843	0.4
113.05982	0.9
120.08095	100.0
121.08457	1.1
127.03903	0.8
131.04929	2.2
131.07025	2.4
139.03912	0.7
147.04391	0.7
149.06012	1.8
153.01802	2.3
166.08626	56.5
167.08945	0.6
177.01923	0.4
201.16435	0.3
202.41463	0.3
205.01312	0.5
219.03090	0.4
237.02737	0.6
247.02391	0.8
265.03494	2.1
296.11398	0.6
419.80289	0.4
459.10983	8.8
481.21881	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.3
55.01856	9.0
55.05512	27.4
57.03440	8.3
57.07064	9.2
59.04996	3.8
61.02907	7.5
67.05497	33.7
69.03428	24.2
69.07063	30.9
70.04072	36.5
70.72656	7.1
71.04982	10.4
73.02937	3.9
76.11605	3.1
79.05483	33.4
81.03412	22.7
81.07058	50.0
83.04971	8.3
83.08601	17.9
85.02896	81.0
85.06526	21.7
86.09731	2.9
87.04445	3.9
91.03948	3.2
91.05476	30.0
93.07036	50.3
95.04968	20.1
95.08603	62.2
96.08909	3.5
97.02882	18.9
97.03431	2.9
97.06525	5.8
97.10160	13.0
99.04463	6.1
99.08085	6.2
105.07028	38.4
107.04968	8.4
107.08593	64.1
109.02875	10.1
109.10144	49.2
111.08072	6.4
113.09644	14.9
115.05487	2.9
117.07003	7.7
119.08566	38.9
121.06470	5.8
121.10129	59.9
121.46643	2.9
123.04427	6.1
123.08065	8.1
123.11693	31.8
125.09638	9.7
127.03922	15.5
129.06970	7.3
131.08557	21.6
133.06555	3.9
133.10129	82.2
135.08072	4.2
135.11696	52.6
137.05998	3.0
137.09596	6.1
137.13225	4.9
139.03876	5.2
139.11154	11.0
145.04919	12.9
145.06497	5.2
145.10135	26.8
147.04391	6.2
147.08075	2.8
147.11671	36.2
149.09569	8.9
149.13275	17.7
151.07532	7.0
151.11145	10.8
153.01813	4.2
153.12753	3.7
155.10609	3.9
157.10080	8.8
159.08067	5.4
159.11710	32.3
161.13217	15.9
163.11188	5.0
163.14828	11.5
165.09148	11.4
167.07060	4.5
171.11644	4.4
173.09763	3.9
173.13255	58.8
175.11192	6.8
175.14751	17.3
177.12787	5.3
177.16367	11.4
181.15845	3.2
183.02963	5.8
183.11737	5.3
185.13217	5.6
187.14806	43.8
193.12224	6.5
193.15823	6.1
199.14836	3.6
201.16338	16.5
203.17914	35.8
205.15785	9.0
233.15347	4.6
243.19003	2.0
243.21083	71.3
261.22122	100.0
262.22421	4.0
273.15054	4.8
279.23212	9.5
291.22958	3.2
339.23080	4.2
347.80740	3.6
349.21390	4.3
367.22571	13.8
385.23703	14.1
387.25153	3.1
403.24695	4.9
441.26685	4.9
458.23831	17.4
458.28326	19.3
459.27576	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89271	0.2
53.03939	0.4
53.83998	0.2
55.05509	0.9
55.80655	0.2
57.03443	0.4
57.07075	2.9
59.04998	0.4
61.02906	0.3
67.05511	1.1
67.19755	0.2
69.03431	1.3
69.07045	1.5
70.04072	100.0
70.78764	0.3
70.79119	0.7
71.01333	0.3
71.04976	0.5
73.02927	0.3
73.66372	0.2
74.27459	0.2
79.05492	0.9
80.11691	0.2
81.03416	1.6
81.07059	1.0
83.01320	0.3
83.04987	0.4
83.08642	0.4
83.40981	0.2
85.02898	4.1
91.05487	0.5
93.07056	0.6
95.04992	0.7
95.08595	0.8
97.02876	2.2
99.04454	0.9
99.08087	14.0
105.07043	0.6
107.08582	0.5
109.02866	3.7
109.10172	0.5
111.08095	0.4
113.01543	0.3
117.09120	3.5
119.08590	0.5
121.10124	0.4
123.04440	1.1
125.09692	0.3
127.03908	4.5
129.01073	0.3
130.43332	0.2
131.08591	0.3
133.10109	0.5
137.09599	0.2
139.03925	0.3
141.01054	0.3
145.04967	1.0
147.11708	0.5
153.01762	0.3
157.10228	0.3
159.10178	0.5
167.02612	0.3
167.03880	0.3
169.04102	0.4
173.09657	0.3
183.10167	0.3
195.10101	2.0
202.99651	0.2
209.07341	0.4
225.11186	2.1
227.08316	5.4
227.10378	0.4
234.23956	0.2
243.12305	1.4
261.13440	1.0
294.88016	0.2
308.72000	0.2
458.17294	0.3
458.26843	0.3
459.27612	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3672
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
53.03940	0.3
55.05502	2.1
57.07081	1.8
59.05003	0.3
67.05502	3.7
69.03421	1.4
69.06779	0.3
69.07071	3.1
70.03285	1.3
70.10558	0.3
71.04982	0.4
73.06579	0.3
74.21888	0.3
77.21411	0.3
79.05471	1.4
81.07053	15.8
83.04958	2.3
83.08612	1.1
85.06535	0.6
91.05479	1.2
93.07035	4.2
95.04971	1.8
95.08601	13.1
97.06543	0.7
97.10147	0.5
98.20509	0.3
105.07028	3.3
107.08585	8.6
109.06499	2.0
109.10151	7.0
111.04430	3.1
111.08077	0.9
111.11728	1.3
113.06017	0.4
117.07004	0.4
119.08568	7.2
121.06529	1.1
121.10135	6.9
123.08102	1.7
123.11698	30.3
124.12024	0.6
125.09631	0.8
126.55431	0.3
131.08546	0.9
133.10120	5.1
135.08044	4.1
135.11679	5.5
137.09624	1.3
137.13223	1.9
139.07533	0.7
139.11160	0.3
143.08554	1.1
145.10121	2.5
147.08052	0.5
147.11719	2.2
149.09619	2.4
149.13229	2.3
151.11182	1.7
151.14850	0.5
153.09091	0.4
157.10103	1.3
159.08098	0.4
159.11679	2.0
161.09598	2.5
161.13246	1.6
163.11171	1.3
163.14815	0.8
169.10104	0.3
171.11676	1.0
173.13243	2.0
175.11217	0.8
175.14818	3.5
177.12753	1.2
177.16385	1.0
179.10674	0.7
185.13286	0.7
187.14832	1.9
189.12720	0.5
189.16385	3.0
191.14288	0.6
191.17953	5.3
193.15849	0.4
197.13063	0.3
199.14812	0.4
201.16368	0.4
203.17949	1.2
205.15852	1.0
205.19566	0.8
207.17401	0.6
213.16304	0.8
215.14325	1.1
215.18010	2.0
217.15854	0.9
217.19615	0.4
225.16385	0.5
231.17410	2.2
233.15419	0.8
233.18987	2.2
243.21104	0.3
245.19046	0.5
247.16934	0.4
247.20647	0.4
251.16449	1.0
255.21191	0.6
261.21988	0.4
269.22934	0.3
273.22113	1.3
281.22607	0.7
287.23590	1.6
299.23709	1.6
317.24756	1.1
403.33582	0.6
421.34610	1.3
439.36136	2.4
457.36743	100.0
458.37100	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	457.3675
Annotation	Swinniol
Peak:m/z	Relative Intensity
53.03952	4.7
55.05495	17.3
57.03448	4.1
57.07063	7.0
67.05502	26.5
69.03416	5.8
69.07058	31.8
69.61151	8.6
69.61558	23.2
71.04994	4.4
79.05473	20.6
81.07053	72.5
83.08604	15.6
85.06537	5.7
90.54165	3.3
91.05474	17.5
93.07031	52.3
93.07568	6.8
95.04958	10.4
95.08598	100.0
97.06535	11.5
97.10156	8.2
98.20833	5.1
105.07021	42.4
107.08581	82.2
109.06528	6.8
109.09457	5.9
109.10146	71.1
109.79043	3.4
111.08065	14.7
111.11662	5.2
113.09675	6.9
117.06979	4.2
119.08571	57.9
121.06508	6.0
121.10126	96.3
123.08057	12.8
123.11694	31.7
125.05996	4.2
125.09636	5.7
131.08575	13.5
133.10103	50.1
134.10434	3.9
135.08023	7.2
135.11684	35.7
137.09593	4.7
137.13242	11.7
139.11279	4.4
143.08546	8.9
145.10109	31.3
147.08011	5.8
147.11687	36.1
149.09616	54.4
149.13260	49.7
151.11153	8.4
155.08513	6.3
156.09239	4.0
157.10091	16.7
159.11667	35.3
161.09625	6.4
161.13228	26.4
163.11134	7.6
163.14804	52.7
165.12726	8.6
169.10112	5.2
170.10892	5.0
171.11696	13.2
173.09615	6.6
173.13214	21.8
175.11192	6.6
175.14804	23.6
177.12741	4.4
177.16353	67.9
183.11714	4.5
185.13268	12.8
187.11317	3.7
187.14816	25.1
189.12726	7.0
189.16354	31.9
191.17915	28.6
193.10196	4.1
197.13210	6.2
199.14818	11.0
201.12619	5.7
201.16339	20.7
203.14346	5.7
203.17947	13.0
205.15839	6.9
207.17433	8.8
211.14653	7.8
213.16380	9.6
215.17889	18.4
215.66229	4.1
217.15884	9.6
217.19476	14.9
219.17490	32.8
227.17854	6.5
229.19441	6.4
231.17479	10.1
233.18971	11.6
235.16988	6.2
247.16954	4.3
249.18471	5.4
251.20107	8.2
269.12399	5.1
339.26746	4.6
391.33423	10.2
403.33948	5.4
409.34711	13.6
421.34927	45.5
427.35654	98.5
428.35992	7.8
439.36261	58.5
457.31384	5.4
457.37601	71.8
473.48596	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	457.3677
Annotation	Petatrichol A
Peak:m/z	Relative Intensity
51.15709	2.5
53.83750	2.7
55.05501	10.3
56.59470	2.9
57.07064	10.6
62.15233	2.5
67.05505	24.3
69.03394	2.5
69.07074	35.2
70.07371	3.0
70.10397	8.7
71.08669	2.9
75.65090	3.2
78.98937	2.6
79.05491	14.3
81.07059	61.5
83.04958	4.1
83.08614	11.7
85.06531	4.1
87.22794	2.6
91.05474	15.3
93.07027	32.2
95.04949	5.5
95.08607	98.5
97.06524	3.7
97.10146	11.9
98.20825	3.4
99.08099	5.7
105.07024	27.5
107.08594	47.8
108.08908	2.6
109.06528	5.3
109.10157	91.7
109.10905	5.0
111.08031	5.8
111.11697	10.2
117.07025	4.3
119.08578	46.6
121.06534	5.9
121.10142	62.2
123.08063	8.7
123.11687	37.1
125.09598	5.0
131.08582	17.6
133.10117	45.3
135.08035	8.2
135.11682	27.1
137.09619	10.3
137.13211	15.2
139.07553	5.6
142.07808	4.3
143.08534	4.9
145.10107	29.2
147.08043	3.7
147.11723	21.3
149.09648	14.5
149.13277	25.4
151.11218	6.6
157.10153	12.6
159.11699	32.7
161.09612	6.2
161.13226	18.1
163.11220	4.9
163.14780	15.8
165.09149	2.9
165.12799	4.6
167.10625	5.3
169.10126	6.6
171.11673	9.8
173.09738	4.1
173.13284	24.4
175.11221	3.1
175.14807	16.5
177.16380	16.7
185.13220	15.8
187.14824	27.3
189.12720	5.3
189.16371	11.9
191.14322	9.9
191.17906	22.9
197.13206	3.8
199.14810	5.6
201.16380	20.2
203.14377	5.5
203.17975	13.1
205.15930	13.5
205.19577	14.4
207.13719	3.5
209.15247	3.5
211.14784	8.5
213.16302	8.9
215.14375	7.3
215.17947	5.6
217.15961	5.3
217.19550	18.6
219.17345	14.6
219.21065	4.8
221.15233	6.1
225.16458	4.8
229.15909	8.9
229.19438	4.3
231.17448	5.6
231.21022	6.5
233.15334	4.6
233.18916	5.3
239.18102	3.5
247.16924	10.4
250.17419	2.8
251.16325	3.7
255.20976	5.3
257.22632	3.5
258.22897	3.7
259.20749	2.8
265.17599	3.5
275.23746	3.0
292.52185	3.4
311.23355	4.9
329.24786	3.3
403.33810	18.3
421.30225	3.8
421.34760	54.6
439.36066	60.2
457.22797	5.6
457.37100	100.0
458.36969	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	457.3675
Annotation	Petatrichol A
Peak:m/z	Relative Intensity
55.05518	11.5
56.78796	2.0
57.07067	5.8
67.05495	29.4
67.42329	2.3
68.39919	2.3
69.03435	5.0
69.07065	33.6
71.33666	3.9
71.34022	3.2
73.80466	2.4
79.05489	12.8
81.07050	48.6
83.04955	4.1
83.08614	9.6
85.06530	3.6
91.05473	17.3
93.07035	31.0
95.04945	3.7
95.08603	100.0
97.06529	5.9
97.10144	7.4
99.08086	4.4
105.07025	22.3
107.08591	55.7
109.06514	6.5
109.10150	88.6
111.08072	14.3
111.11706	7.9
116.27651	2.2
117.07014	4.6
119.08573	38.1
121.06478	6.3
121.10139	61.4
121.11026	3.1
123.08075	9.7
123.11697	39.2
125.09628	2.7
129.07010	3.0
131.08556	10.8
133.10130	34.2
135.08060	7.5
135.11691	25.7
137.09576	11.6
137.13222	12.4
143.08586	5.9
145.10088	22.5
147.11682	21.2
149.09593	12.4
149.13290	18.3
151.11180	5.1
155.08427	2.4
157.10078	14.5
159.11707	24.4
161.09605	6.1
161.13272	17.7
163.11153	3.9
163.14780	13.6
167.10680	12.9
169.10022	2.7
169.12192	5.5
171.11708	10.2
173.09537	2.1
173.13235	22.6
175.11215	5.7
175.14824	14.5
177.12686	4.8
177.16313	12.0
179.10681	3.0
183.11650	5.4
185.13239	12.4
187.11211	3.7
187.14804	25.8
189.12772	4.0
189.16345	13.2
191.14287	4.3
191.17973	17.3
193.12242	5.7
197.13353	5.5
199.14844	7.9
201.16379	13.6
203.14249	8.2
203.17964	7.3
205.15863	11.6
205.19559	16.4
207.13867	4.4
207.17516	2.5
209.15256	3.7
211.14822	5.2
213.16312	7.2
215.14319	4.8
215.17957	9.0
217.15833	4.9
217.19530	18.3
219.17464	8.4
227.17909	2.3
229.15894	8.5
229.19524	8.8
231.21136	3.5
233.15367	7.2
235.16949	4.2
239.17847	3.0
241.19525	3.5
245.22704	2.8
247.17012	9.3
257.22571	11.3
259.24106	4.3
269.22577	4.9
271.24136	3.6
273.25644	5.3
275.23978	3.2
283.24289	3.5
297.25803	3.8
299.23822	5.8
301.25156	3.6
327.26840	2.9
371.12372	2.5
403.33801	15.6
421.34677	44.4
439.35843	58.0
457.23080	7.0
457.37262	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3675
Annotation	Petatrichol A
Peak:m/z	Relative Intensity
53.03928	1.6
55.05510	12.2
57.07059	5.1
62.30291	1.3
67.05170	1.9
67.05502	29.4
69.03410	2.8
69.07065	32.0
70.24323	2.3
70.24700	4.8
71.04990	2.0
72.04504	1.3
79.05479	13.8
81.06573	2.4
81.07049	41.9
83.04986	3.1
83.08617	8.9
85.06546	2.0
88.02214	2.4
91.05460	8.4
93.07042	32.4
95.04980	3.1
95.08601	93.5
96.08927	2.7
97.06532	5.4
97.10159	6.5
99.08115	2.1
105.07031	24.6
107.08591	57.7
109.06504	3.5
109.10151	96.0
110.10497	1.7
111.08105	7.4
111.11720	10.1
113.24949	1.1
117.07019	2.0
118.65393	1.1
119.08574	38.4
121.06497	3.1
121.10132	58.2
123.08060	6.0
123.11703	24.7
125.09608	2.8
129.06990	1.3
131.08572	8.7
133.10115	30.6
135.08083	3.1
135.11679	25.4
137.09610	10.4
137.13271	9.3
139.11192	4.2
141.09105	3.0
141.66473	1.1
142.07811	1.7
143.08537	5.7
145.10109	16.5
147.08025	2.2
147.11694	19.9
149.09622	3.8
149.13240	16.7
151.11186	1.5
156.09393	2.5
157.10141	9.3
157.95090	1.2
158.10986	2.0
159.11685	19.0
161.09602	3.7
161.13243	16.9
163.11232	4.3
163.14813	20.3
165.12735	2.2
167.10652	2.6
169.10147	2.9
170.10980	2.4
171.11705	10.0
172.12373	1.9
173.13249	19.7
175.11180	4.2
175.14856	14.2
177.12697	1.3
177.16373	35.2
179.17900	1.4
181.10204	1.7
181.12088	1.3
183.11681	4.9
184.12460	2.9
185.13286	7.3
187.14793	19.2
189.12762	2.4
189.16371	14.8
191.14320	3.8
191.17937	33.8
193.15863	2.7
193.19557	2.2
196.12465	1.4
197.13281	5.0
199.14845	8.9
201.16382	9.3
203.14429	5.5
203.17955	25.8
205.15884	4.7
205.19533	12.5
207.13890	3.3
207.17476	1.9
211.14865	4.8
213.16373	8.6
215.14360	4.9
215.17949	7.7
217.15897	4.1
217.19469	8.6
219.17456	3.2
219.21100	1.6
221.15401	2.5
225.16438	3.1
227.17867	2.8
229.15915	3.4
229.19456	5.9
231.17451	10.0
231.21068	2.7
233.15430	4.9
233.18948	2.4
235.16978	7.3
239.17970	4.2
241.19453	2.2
247.16911	7.7
249.18506	10.5
251.16298	1.9
253.19604	1.6
255.21136	2.4
257.19046	3.6
257.22644	3.0
261.18515	2.6
265.17984	1.6
267.19641	3.4
269.22635	2.8
275.20175	3.3
281.22653	1.2
283.24054	7.0
284.57712	1.4
293.22629	2.6
295.24393	1.2
299.23642	2.9
301.25174	2.8
311.23782	4.7
311.27118	1.4
325.25571	2.5
329.24667	6.6
345.28085	1.4
347.25876	1.8
361.27347	8.7
363.29440	1.9
377.32156	5.2
379.33731	1.9
381.31357	1.9
393.35373	1.4
395.33090	5.5
403.33530	14.7
421.34628	39.4
422.34998	4.4
439.35706	57.4
440.36130	5.1
457.36746	100.0
458.37250	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3673
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
53.03941	1.2
55.05503	5.5
57.07069	4.7
65.03928	1.2
67.05499	23.2
68.45604	0.9
69.03421	0.9
69.07063	26.4
69.63091	5.3
71.08593	1.0
75.47739	0.7
75.55672	1.0
79.05487	7.1
81.07051	40.1
82.27357	0.8
83.08618	6.1
91.05457	6.1
93.07037	18.9
95.04943	1.8
95.08598	75.9
96.08923	1.1
97.06523	1.2
97.10174	2.9
105.07016	8.7
107.08587	31.1
109.06509	2.1
109.10149	78.6
110.10503	2.1
111.08064	1.9
111.11713	11.0
118.60712	0.8
119.08569	18.1
119.09348	1.4
121.06488	4.7
121.10136	29.3
123.08073	3.2
123.11696	36.3
125.09647	1.2
125.13293	2.0
131.08575	3.7
133.10115	18.0
135.08046	3.8
135.11673	17.2
136.37206	0.8
137.09604	2.9
137.13232	12.4
137.14209	1.0
137.80455	0.8
143.08583	2.1
145.10091	6.5
147.08029	2.4
147.11684	7.4
149.09605	7.1
149.13257	29.4
150.13588	1.9
151.14830	1.0
155.08568	1.0
156.09296	0.8
157.10182	2.6
158.07397	0.9
158.10913	1.1
159.08141	1.2
159.11665	6.6
161.09616	4.1
161.13257	5.7
163.11150	1.7
163.14810	25.8
165.09053	1.6
165.12767	2.1
171.11720	2.5
172.08932	1.0
173.09631	4.1
173.13260	8.6
175.11195	8.2
175.14789	5.8
177.12756	2.4
177.16364	5.1
185.13283	3.3
186.10410	1.3
187.11107	2.3
187.14758	7.1
189.12737	2.7
189.16368	5.2
191.14285	1.6
191.17984	2.9
193.12238	1.2
197.13246	1.5
199.14737	2.5
200.11894	1.4
201.12726	2.6
201.16368	1.9
203.14313	7.3
203.17896	1.9
205.19527	6.2
211.14763	1.9
215.14276	18.9
215.17783	1.3
217.15889	10.6
217.19507	2.6
219.17773	1.1
219.21071	29.2
220.21330	0.9
225.16373	1.0
229.15930	2.4
231.17494	1.3
231.21036	1.1
233.15448	2.1
233.19087	1.2
237.42697	1.0
239.17963	1.4
243.17540	1.0
243.21069	1.0
255.20920	1.0
257.22562	1.9
265.19531	1.5
269.22632	1.0
283.20615	1.4
285.22134	1.4
285.25403	1.6
295.24335	1.0
311.27252	2.4
313.25320	1.7
329.28445	1.9
393.35217	2.0
403.33398	5.8
421.34625	100.0
422.35031	8.0
439.35822	43.1
440.35934	3.5
457.37482	18.9
458.36856	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3673
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
51.28846	0.4
54.45440	0.3
55.01857	0.5
55.05498	1.4
57.07072	1.9
59.04993	0.5
65.03920	0.5
67.05499	4.1
68.42056	0.4
69.03416	1.4
69.07069	3.5
70.85188	0.9
70.85559	0.8
71.04968	0.5
79.05516	2.2
81.07056	18.5
83.04982	2.1
83.08615	1.4
85.06549	0.4
86.24594	0.3
87.00574	0.3
87.18161	0.3
91.05472	1.4
92.72678	0.4
93.07040	4.4
95.04951	1.9
95.08605	14.4
97.06534	0.6
97.10158	1.0
103.30888	0.3
105.07037	3.4
107.04978	0.4
107.08595	8.4
109.06517	1.7
109.10154	7.9
111.04478	2.4
111.08056	1.0
111.11716	1.2
119.08572	6.8
121.06496	1.5
121.10135	7.2
123.08066	1.9
123.11704	29.1
125.09620	0.7
131.08586	1.0
133.10130	5.6
135.08051	4.8
135.11676	5.1
137.09625	0.8
137.13252	1.6
139.07559	0.4
143.08516	0.6
145.10120	3.1
147.08034	0.7
147.11659	2.2
149.09628	2.4
149.13251	2.3
151.11162	2.4
155.08459	0.4
157.10121	1.3
157.27815	0.4
159.08064	0.5
159.11674	2.5
161.09583	2.3
161.13272	1.8
163.11156	1.1
163.14807	0.7
169.10178	0.4
171.11745	1.0
173.09622	0.6
173.13251	2.0
175.11206	0.8
175.14857	3.9
177.12642	1.0
177.16411	1.0
185.13329	0.6
187.14763	2.4
189.12718	0.5
189.16348	3.2
191.14275	0.7
191.17964	4.0
199.14793	0.6
203.14322	0.6
203.17970	1.2
205.15892	0.6
205.19609	1.0
215.14299	0.8
215.18004	1.3
217.15994	0.5
217.19571	0.5
229.15788	0.5
229.19569	0.6
231.17441	2.5
233.15361	0.9
233.18887	1.9
235.16931	0.5
247.20596	0.5
251.16472	0.5
255.21024	0.5
273.22174	1.8
280.91351	0.4
287.23740	1.6
290.43549	0.4
299.23749	1.2
317.24719	0.9
403.33099	0.5
414.63803	0.4
421.34784	1.6
439.35916	2.9
457.36768	100.0
458.37122	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	457.3677
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
55.05497	10.3
57.07077	8.4
67.05495	27.0
69.07069	19.5
69.74858	6.7
71.60468	12.0
72.04521	7.0
79.05476	8.2
81.07053	40.6
83.08620	10.9
91.05511	8.1
93.07053	31.9
95.08598	63.8
105.07056	20.2
107.08602	31.6
109.10152	75.3
111.08115	7.9
119.08583	20.6
121.09416	7.4
121.10170	40.1
123.11735	21.1
125.71533	7.3
129.03130	8.3
129.85066	6.4
132.04878	8.1
133.10158	30.1
135.11761	21.2
137.13339	8.4
145.10121	11.2
146.63341	6.9
147.11685	17.4
148.99255	7.9
149.13243	15.2
157.10066	7.4
159.11594	9.4
161.13300	11.8
173.13257	12.6
177.16399	13.4
187.14793	15.3
189.16472	8.7
191.17940	10.3
205.19630	8.1
219.21358	7.9
249.18407	9.3
296.90717	7.9
421.34656	45.3
439.36008	37.4
457.36328	100.0
457.44431	23.9
475.64172	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	457.3671
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
53.55293	1.2
55.05504	4.1
57.07064	3.2
64.26262	1.0
65.03932	1.1
65.67006	1.1
67.05501	15.7
69.03439	1.0
69.07056	15.5
79.05472	6.8
81.07048	23.7
83.08612	5.3
91.05478	3.2
93.07033	14.3
95.04947	2.0
95.08598	46.8
97.10143	2.6
105.07033	8.1
107.08578	21.7
109.06490	1.4
109.10146	40.0
111.11702	7.4
114.92020	1.0
115.48554	1.0
117.07056	1.2
119.08569	15.8
121.06487	3.8
121.10136	20.1
123.08044	3.2
123.11706	18.8
125.13278	2.1
131.08566	2.3
133.10110	26.6
135.08057	4.3
135.11694	14.8
137.09607	1.9
137.13245	8.8
143.08585	1.6
145.10107	8.4
147.07976	1.6
147.11703	9.3
149.09612	3.6
149.13237	18.9
157.10133	3.4
159.08119	1.2
159.11678	4.5
161.09616	3.9
161.13242	5.1
163.14815	14.5
165.12692	1.6
171.11627	3.0
172.12564	1.2
173.09680	2.2
173.13277	8.9
174.50534	1.0
175.11168	4.3
175.14828	7.7
177.12766	2.2
177.16356	2.5
183.11693	1.5
185.13217	4.0
187.11157	2.6
187.14778	7.3
187.16214	1.2
189.12703	1.4
189.16377	9.3
191.17915	2.3
197.13243	1.9
199.14777	2.5
201.16312	2.1
203.14275	4.8
203.18013	3.9
205.19463	1.7
211.14615	1.4
213.16357	1.3
215.14307	15.5
215.17921	3.0
217.15790	6.4
217.19611	1.2
219.21028	14.6
229.15842	2.1
231.17484	1.5
233.19072	2.1
241.19383	1.3
257.19037	1.8
257.22653	2.1
259.20703	1.6
261.22116	1.2
265.19519	3.1
283.20648	2.5
301.25317	1.2
313.25275	2.9
327.26868	1.3
403.33603	7.6
404.93616	1.3
421.34604	100.0
422.35172	5.6
439.35745	68.3
440.36078	2.8
457.37338	12.2
458.36603	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3675
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
55.05500	3.7
57.07063	1.8
67.05500	7.0
69.07065	10.4
70.86286	1.2
70.86646	2.5
74.06959	0.8
79.05486	4.1
81.07053	13.1
83.05019	1.6
83.08616	3.4
85.06518	1.4
91.05476	3.3
93.07035	12.6
95.04974	2.5
95.08602	24.4
97.06476	1.0
97.10144	2.0
105.07030	5.8
107.08591	11.2
109.06535	1.2
109.10151	44.0
111.11716	4.1
117.07042	1.3
118.99771	0.9
119.08569	8.8
121.06506	1.8
121.10134	40.1
122.10515	1.4
123.08061	2.4
123.11699	9.9
131.08575	3.1
133.10114	5.7
135.08066	1.8
135.11685	6.4
137.09602	1.6
137.13219	4.2
143.08623	1.2
144.09448	1.0
145.10146	4.4
147.08061	1.3
147.11671	4.1
149.13287	4.4
151.07498	1.1
151.14801	4.5
157.10115	2.0
159.11699	5.3
161.13304	2.8
163.11182	3.0
163.14775	4.1
165.09100	2.1
171.11661	2.3
173.09669	1.4
173.13278	4.7
174.13768	1.1
175.11229	1.5
175.14787	2.0
177.12766	1.7
177.16388	4.1
185.13284	2.7
187.11179	2.0
187.14862	3.4
189.12794	2.6
189.16402	2.1
191.17966	1.6
199.14783	1.5
201.12820	2.9
201.16394	3.8
203.14391	1.6
203.17964	2.5
205.15938	2.5
205.19540	2.8
213.16318	1.6
215.14359	1.2
215.17966	2.3
217.15817	1.7
217.19464	1.4
219.17384	1.3
229.15929	1.3
231.17426	1.6
243.21118	1.0
273.25876	1.2
275.20114	1.4
309.06097	0.9
354.17261	0.9
421.34705	2.7
425.34113	3.0
439.36380	5.6
457.36813	100.0
458.37314	7.9
464.39444	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.367
Annotation	beta-Peltoboykinolic acid
Peak:m/z	Relative Intensity
55.05510	6.3
57.07056	2.7
59.18255	1.4
67.05510	7.5
69.07061	14.2
71.08620	1.4
71.20451	1.0
71.44012	2.1
79.05502	2.8
79.58089	1.2
81.07049	21.4
83.08612	5.3
91.05425	2.0
93.07018	8.9
95.08601	40.1
97.10133	2.5
98.80791	1.3
105.07034	8.0
107.08588	13.9
109.06480	2.0
109.10146	25.0
111.08064	2.1
111.11696	4.5
119.08569	13.6
121.10127	20.0
123.08059	3.1
123.11705	9.7
131.08553	2.2
133.10121	12.0
135.11681	8.3
137.13242	13.8
139.07596	1.3
139.11186	1.7
143.08548	2.4
145.10110	5.8
147.11688	8.3
149.09685	1.3
149.13219	4.5
151.07552	2.0
151.14778	2.4
153.09097	2.2
157.10101	2.5
159.11658	6.1
161.09564	2.5
161.13235	5.6
163.11176	1.6
163.14787	5.1
165.09116	2.8
171.11629	1.8
173.13242	5.3
175.11249	1.2
175.14827	13.3
177.16380	7.2
179.10652	2.0
185.13297	2.7
187.14801	5.6
189.16324	3.3
191.17924	6.0
193.12198	1.7
199.14760	2.0
201.16385	1.9
203.14297	2.6
203.17946	4.4
205.19492	3.5
213.16359	1.6
215.18021	1.9
217.12250	1.2
217.19492	3.9
219.17307	1.4
221.15326	2.6
227.10477	1.3
229.19482	1.4
231.17430	2.2
231.20985	1.6
241.19487	1.5
243.17345	1.2
243.21071	12.6
255.21017	1.9
262.08432	1.2
283.23917	1.6
287.20102	1.5
301.21582	3.4
303.23108	2.1
346.25110	1.2
393.35141	3.5
411.36209	25.2
421.35022	6.0
439.35675	100.0
440.35800	4.3
457.36865	34.9
457.43420	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	457.3672
Annotation	Petatrichol A
Peak:m/z	Relative Intensity
52.48144	3.9
55.05498	15.3
57.07065	5.3
67.05496	27.4
69.07067	29.7
71.01356	4.3
71.58645	3.1
79.05484	9.9
81.07050	54.9
83.08617	14.6
89.02383	7.3
91.05478	8.2
93.07059	22.0
95.08601	100.0
97.06506	4.7
97.10165	10.2
105.07011	13.7
107.08594	54.7
109.09452	6.4
109.10149	80.4
111.11707	13.5
115.07564	3.9
119.08572	27.9
121.09309	6.6
121.10133	64.9
123.08031	4.8
123.11717	44.0
125.13206	3.6
133.10133	28.8
135.11691	28.5
137.09615	6.3
137.13246	18.8
145.10092	7.6
147.07967	3.7
147.11697	16.7
149.13234	19.9
151.14821	7.2
159.11655	7.6
161.13258	17.5
163.14819	20.5
165.09184	5.6
173.13280	5.3
175.14838	13.3
175.68269	3.1
177.16385	20.9
183.10149	15.3
187.14859	7.3
189.16441	8.2
191.14439	5.7
191.17912	23.2
193.12187	3.9
193.15822	4.3
201.16379	7.1
203.17967	24.4
205.19542	32.2
215.18031	5.0
217.19484	38.3
219.21094	13.6
229.19368	3.9
231.21031	19.1
235.16830	7.1
245.22603	12.4
247.16943	5.4
251.16431	4.2
258.73260	3.4
275.19946	5.0
325.28641	5.0
327.30359	23.5
369.35162	4.5
397.34598	6.9
421.34741	7.5
439.35629	31.5
450.20880	3.5
457.36688	76.9
457.43979	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	457.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
53.55169	0.6
55.01862	1.0
60.04515	0.9
69.03407	0.8
70.06586	4.9
71.58479	0.6
71.58897	0.7
72.22786	0.5
76.04006	0.5
81.03411	0.8
81.07047	0.5
85.02908	0.7
91.05460	2.2
93.07039	5.1
95.04968	1.7
97.02870	1.1
98.97581	0.7
103.05456	4.0
105.06979	0.5
106.37465	0.6
112.07614	3.9
114.77075	0.5
116.07085	0.7
117.90477	0.5
121.06493	100.0
122.06818	1.1
123.04360	1.0
127.03880	1.0
134.32678	0.6
138.09126	66.3
139.09512	0.7
140.06987	0.8
148.04956	0.5
153.01810	4.6
158.08096	7.1
195.11664	0.6
274.18893	0.6
287.05460	1.1
303.01315	1.2
334.43652	0.6
457.07681	0.9
457.13132	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	457.3671
Annotation	Petatrichol A
Peak:m/z	Relative Intensity
55.05502	7.2
57.07073	5.0
67.05508	17.5
69.07060	28.3
71.04977	2.6
71.60006	3.7
79.05489	5.8
81.07047	32.1
83.08620	8.5
91.05478	5.9
93.07038	27.1
95.04972	6.4
95.08603	63.6
97.06592	2.5
97.10175	5.0
98.88801	2.4
101.21068	2.4
105.07020	19.0
107.08582	45.1
107.09302	3.6
109.06508	3.5
109.10159	60.0
111.08047	3.6
111.11736	5.0
119.08570	38.7
119.09341	3.2
121.10134	46.3
123.08109	6.1
123.11690	21.3
125.09638	3.1
126.63761	2.4
131.08559	7.4
133.10138	34.0
135.11674	23.4
137.09602	6.1
137.13257	12.9
142.07698	2.5
143.08549	6.3
145.10146	15.4
145.11148	2.4
147.11667	23.3
149.13287	11.1
151.14873	2.9
157.10143	6.9
159.11656	17.8
161.13272	18.8
163.14812	7.1
165.12767	7.0
169.10197	3.5
171.11707	10.6
173.13200	14.9
175.11290	4.0
175.14795	19.1
177.16394	11.5
179.14285	3.1
183.11772	3.5
185.13239	6.1
187.14830	11.1
189.16432	14.5
191.14281	3.5
191.17918	38.6
199.14893	6.4
201.16356	12.8
203.14290	5.5
203.17935	30.6
203.19479	2.9
205.15944	3.7
205.19630	6.1
211.14833	3.1
213.16406	5.3
215.18001	8.6
217.15987	6.6
217.19502	14.3
219.17424	12.8
221.19031	6.1
225.16461	3.5
227.18042	4.7
229.16000	3.2
229.19643	5.5
231.17389	3.6
231.21066	3.7
235.16925	21.7
239.18123	2.9
247.17010	6.9
257.19070	3.2
261.18558	4.9
275.19943	4.9
309.27109	2.5
325.43295	2.6
363.30090	3.7
403.33517	19.4
421.34601	48.5
439.35669	77.1
457.36801	100.0
457.44067	5.0
458.36728	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	456.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.7
55.05511	35.4
57.07074	7.8
58.93882	1.1
59.05001	1.7
66.40639	1.0
67.05504	11.9
67.21440	1.1
68.19648	1.2
69.03413	1.5
69.06719	1.8
69.07069	22.5
70.89823	1.2
71.08630	1.6
73.06550	4.3
78.67766	1.3
79.05496	3.0
80.62177	1.0
81.07059	16.3
83.05004	1.6
83.08617	72.1
85.02885	2.0
85.06538	1.5
87.04463	4.1
89.06028	100.0
91.05489	3.1
93.07031	2.9
95.08600	16.6
97.10164	20.3
105.07030	1.3
107.07062	6.2
107.08573	2.7
108.08913	1.4
109.02847	1.0
109.06535	2.4
109.10149	14.2
117.09141	1.8
119.04906	1.3
119.08549	2.2
121.10184	2.3
123.11687	1.6
129.07039	1.3
130.08650	3.5
131.07051	2.2
133.08597	53.8
133.10133	1.9
137.13176	1.1
139.14799	2.0
147.04417	2.1
147.39085	1.1
151.09645	2.0
159.11690	1.8
161.09612	1.1
173.13365	1.1
177.11227	24.5
181.15775	1.0
195.12263	3.2
201.16321	1.2
214.93217	1.2
221.13808	3.8
227.20050	11.1
239.14854	3.4
257.06570	1.4
259.20438	1.4
271.22589	5.9
283.17511	30.1
284.17902	1.2
333.26111	1.9
377.29010	2.6
421.31598	85.9
422.31998	2.2
439.32599	6.3
456.25861	1.3
457.27444	4.4
471.86719	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
55.01868	6.8
57.03432	12.8
59.04995	1.7
61.02917	12.9
61.45425	1.3
67.05511	2.4
69.03421	30.3
69.07053	2.0
70.02996	6.2
71.01332	3.5
71.04996	2.4
73.02910	65.7
79.05473	1.9
81.03411	5.6
81.07053	2.0
82.24338	1.1
85.02897	100.0
86.09703	1.3
87.04465	3.6
91.03947	5.2
93.07024	1.8
97.02879	55.9
98.20753	1.8
99.04454	3.3
103.03943	3.0
109.02866	8.7
109.10119	1.9
115.03918	26.6
123.11721	1.1
127.03896	33.4
133.04951	31.1
145.04942	53.8
147.04425	1.4
150.07616	3.7
157.14473	1.2
158.10558	1.3
163.06010	23.2
188.78502	1.1
199.05965	2.1
223.06010	6.2
226.98044	1.3
241.06993	7.0
259.08081	9.0
295.10324	1.8
311.09619	1.5
454.66260	1.1
456.26794	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.6
55.60758	0.6
56.96554	1.0
57.07073	35.5
67.05488	2.4
69.03416	0.7
69.07063	6.3
71.08627	42.8
71.59665	0.7
71.60071	0.9
73.06551	7.4
79.05511	0.7
81.07037	1.6
83.08607	1.6
85.02888	0.9
87.04482	4.4
88.02197	0.7
89.06025	100.0
91.07602	0.9
91.59742	0.6
93.07079	0.9
95.04973	1.1
95.08595	1.1
97.06519	0.6
97.10164	0.7
105.07027	1.4
107.07059	5.9
109.10152	1.6
111.11716	0.9
113.13284	3.6
117.09113	5.1
119.08639	1.2
130.08673	3.8
131.07059	1.0
133.08592	46.4
135.10165	1.1
145.10138	0.6
147.11678	0.7
151.09645	0.7
157.15892	9.1
161.11748	1.2
177.11220	19.7
195.12321	0.7
198.18568	1.8
201.18483	14.2
221.13759	3.6
229.07539	1.2
239.14952	2.0
245.21082	9.2
250.07495	0.7
255.42860	0.7
271.21439	0.6
276.29318	0.6
283.17578	2.1
327.20132	10.5
351.27322	1.9
355.59564	0.6
367.17792	0.7
375.39590	0.6
395.29913	1.2
439.32648	24.5
456.36017	3.9
456.41626	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	8.8
57.07068	4.7
67.05499	21.3
69.07068	27.4
70.85773	3.8
70.86170	3.6
71.04990	22.9
79.05489	8.1
81.07053	50.5
83.08624	7.3
91.05474	8.7
93.07038	18.4
95.04943	3.8
95.08601	95.6
97.10159	6.0
99.08092	2.6
105.07014	20.3
107.08581	42.7
109.06533	2.6
109.10149	60.4
111.11706	13.6
113.06019	8.6
119.08577	40.2
121.10142	52.0
123.08079	7.0
123.11704	23.3
123.78140	2.0
125.09628	3.4
128.50146	2.0
131.07037	9.3
131.08583	8.5
133.10109	29.0
135.08052	4.3
135.11693	26.1
137.09612	11.7
137.13231	16.5
145.10109	14.2
147.08052	2.6
147.11687	19.7
149.13237	17.6
157.10156	6.1
159.11668	15.5
159.12723	1.8
161.13260	18.0
163.14835	10.9
165.09125	5.7
165.12701	3.0
171.11725	7.9
173.13251	27.7
175.14813	11.6
177.12741	2.4
177.16374	8.4
183.10181	22.7
183.11644	3.4
185.13281	5.3
187.14807	15.8
189.16402	7.4
191.14346	7.8
191.17953	18.1
199.14842	3.4
201.16441	6.6
203.17902	8.9
205.19559	11.2
210.80153	1.8
211.13310	8.6
213.16367	5.3
215.17981	7.5
217.19481	14.3
219.13791	6.9
219.21115	4.6
229.19522	15.1
231.21066	30.8
237.14825	22.6
243.21156	6.1
245.22595	11.2
251.16446	4.4
255.21158	3.6
257.22687	5.4
257.47055	2.0
259.24258	2.0
265.17953	2.2
269.22778	3.9
273.18521	2.8
277.18079	2.7
291.19617	3.6
323.27252	4.2
325.28912	46.6
326.29486	4.0
339.55484	2.2
388.84763	2.1
395.33203	7.0
404.24887	2.6
409.34866	2.4
411.36554	3.8
437.34076	18.1
455.11249	2.0
455.35254	100.0
456.35843	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	455.3517
Annotation	Oleanonic acid
Peak:m/z	Relative Intensity
50.25122	2.7
55.05497	11.2
57.03421	3.3
57.07072	7.5
59.04985	3.0
61.02923	5.6
67.05499	24.3
69.03443	3.3
69.07061	30.5
69.50999	21.2
70.60889	2.6
71.08616	5.2
73.02924	4.3
79.05489	11.8
81.07053	49.2
83.04969	5.9
83.08600	15.2
85.02892	9.1
91.03957	3.4
91.05481	15.8
93.07050	31.7
95.04952	5.4
95.08599	63.1
97.02879	6.3
99.08031	2.8
105.07029	33.0
107.08595	59.5
109.06525	5.3
109.10143	48.2
111.08060	3.6
117.06972	4.7
119.08584	43.6
121.10133	50.5
123.08081	3.4
123.11693	21.0
125.09637	3.2
127.80781	2.9
131.08554	16.6
133.10118	43.9
135.08005	4.1
135.11714	26.5
137.09596	5.4
137.13223	10.4
143.08525	7.4
145.10120	24.0
147.11661	35.3
149.09636	6.4
149.13235	20.0
157.10121	7.4
159.11685	24.9
161.09576	4.5
161.13232	19.9
163.11205	8.5
163.14819	16.5
165.12752	3.3
167.10545	3.2
169.10103	3.5
171.11655	9.0
173.13232	17.2
175.11185	4.1
175.14803	31.7
177.12872	3.4
177.16386	37.1
185.13240	6.8
187.11076	4.6
187.14809	20.7
189.16367	29.0
191.17964	12.3
197.13316	6.0
199.14821	7.5
201.16357	11.3
203.14423	3.7
203.17932	74.9
205.15846	53.8
205.19571	4.5
207.17368	3.7
211.14738	7.2
213.16260	6.5
215.14386	3.5
215.17896	12.3
217.15785	6.9
217.19504	3.3
219.17401	10.3
229.15752	3.4
229.19502	4.5
231.17461	4.2
235.16820	4.4
243.20930	3.5
249.18506	14.1
259.16995	4.2
269.12320	26.9
270.12576	5.6
283.28293	6.2
290.55673	3.1
292.13965	3.7
314.27634	18.9
316.12637	5.2
391.33487	7.0
409.34680	100.0
419.33136	8.1
437.34570	31.9
448.41229	3.0
455.21460	10.0
455.35959	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	455.3518
Annotation	Kuguacin J
Peak:m/z	Relative Intensity
50.45013	2.1
51.28130	2.5
53.03947	2.6
55.05506	13.4
55.87897	2.6
57.03404	3.0
57.07068	2.6
65.03901	2.7
67.05505	31.1
69.03409	4.6
69.07071	32.4
70.73016	8.4
71.04980	4.0
79.05486	19.7
81.07050	47.1
83.04974	5.2
83.08602	10.3
85.06543	4.6
91.05481	22.1
93.06483	2.9
93.07039	43.6
95.04939	10.2
95.08601	67.8
97.06512	7.4
97.10143	5.1
99.08070	3.4
103.73333	2.6
105.07021	41.0
107.08588	48.9
109.06493	7.9
109.09457	5.4
109.10154	54.3
111.08066	6.2
111.11683	8.2
111.43433	2.6
117.07024	8.0
117.92783	2.5
119.08571	63.6
120.96616	9.3
121.06514	4.0
121.10139	59.2
123.08067	12.7
123.11702	24.3
125.09608	6.1
128.06186	2.4
128.65852	2.8
129.07010	4.5
131.08557	37.4
133.10126	57.7
135.08043	11.8
135.11674	26.1
137.09583	11.0
137.13222	5.3
142.07758	7.5
143.08551	18.3
144.09332	3.2
145.10110	61.1
147.07994	4.7
147.11690	36.0
149.09589	7.1
149.13239	15.3
151.11130	5.3
155.08507	6.0
156.09299	12.6
157.10132	25.1
158.10918	20.7
158.95735	3.0
159.08037	3.9
159.11682	31.9
161.09656	6.9
161.13237	20.8
163.11150	4.6
163.14809	8.9
167.08542	3.9
169.10117	9.9
170.10802	4.6
171.11694	24.8
172.12421	4.4
173.09660	3.9
173.11774	4.8
173.13251	74.9
175.11171	8.2
175.14845	15.2
177.09157	3.8
177.12715	6.2
177.16379	13.3
179.10619	3.4
182.10913	13.2
183.11697	6.3
185.13260	13.5
187.14815	41.7
189.12715	11.3
189.16394	18.9
191.14294	10.3
191.17941	46.1
191.35016	2.5
193.12204	2.8
195.11717	6.9
197.13239	28.1
199.14806	10.6
201.12764	3.6
201.16402	18.9
203.14301	6.3
203.17941	34.7
205.19504	7.0
207.17479	14.7
209.13246	9.5
211.11131	3.5
211.14780	9.4
213.16313	8.1
215.14314	23.8
215.17938	11.4
217.15910	5.5
217.19421	14.7
223.14742	3.6
225.16431	4.4
227.14368	5.0
227.17960	3.8
229.15817	5.6
229.19481	3.5
231.17455	4.6
233.15327	26.7
235.14842	3.2
235.17070	4.3
243.17337	2.8
243.20908	3.2
247.16910	3.1
251.16382	38.3
290.57092	2.6
295.20477	2.9
314.80093	2.7
318.08463	2.9
335.25711	8.8
336.09756	7.0
357.23853	3.9
401.32034	17.8
419.33063	84.6
420.33353	3.3
424.39035	2.9
437.34320	69.1
438.34464	5.3
455.21219	8.6
455.35565	100.0
456.35312	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	455.3515
Annotation	Krukovine A
Peak:m/z	Relative Intensity
50.43512	1.7
52.78265	1.7
55.05512	10.3
57.07057	5.9
60.39871	1.6
67.05502	23.2
69.03411	2.6
69.07067	31.2
71.04992	3.7
71.27340	4.3
73.41202	2.0
79.05501	10.8
81.07054	48.9
83.04974	2.2
83.08614	8.7
91.05458	7.8
93.07047	23.2
95.04926	3.6
95.08601	81.6
97.10161	7.1
105.07016	18.9
107.08598	42.1
109.06559	3.5
109.10152	66.6
111.08060	6.2
111.11714	11.3
117.07007	2.7
119.08580	27.0
121.06487	4.1
121.10133	38.7
123.08036	7.8
123.11709	26.3
125.09611	3.0
131.08536	6.0
133.10114	24.5
135.08044	5.1
135.11690	26.2
137.09610	4.1
137.13237	16.6
143.08557	4.2
145.10117	12.8
147.11682	21.3
149.09665	3.8
149.13251	19.9
151.07568	12.2
157.10091	5.5
159.11719	13.5
161.09599	2.4
161.13249	13.9
163.11130	2.9
163.14803	13.2
165.09108	3.3
171.11682	8.3
173.13200	16.5
175.11163	5.1
175.14833	8.9
177.09119	2.6
177.12808	2.1
177.16341	9.2
179.10640	2.1
183.11725	2.9
185.13229	7.7
187.11203	2.1
187.14813	8.5
189.12717	4.9
189.16360	6.0
191.14308	8.9
191.17905	13.6
197.13301	3.4
199.11256	2.1
199.14835	4.6
201.12801	3.7
201.16359	5.7
203.14252	4.5
203.17950	5.1
205.15906	2.2
205.19516	15.5
213.16383	5.1
215.17914	3.6
217.19487	8.0
219.13759	2.5
219.21027	4.0
220.51045	1.7
229.19484	6.0
231.13965	4.9
231.17374	2.7
233.15340	5.5
237.14777	5.5
243.17522	2.6
243.21088	3.3
251.16331	2.5
255.21184	2.6
299.20065	3.9
299.23572	2.2
323.27289	3.0
325.28824	8.7
395.33109	13.5
409.34686	3.6
419.33316	4.1
433.97018	2.4
437.34122	64.1
438.34494	2.9
455.35068	100.0
456.35553	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	455.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.05505	10.1
56.46248	1.7
57.07072	2.7
58.84354	2.0
67.05501	21.2
69.07064	29.4
69.22956	1.6
69.30727	7.8
69.31161	10.9
71.01337	2.6
71.04993	26.9
71.08612	1.7
79.05499	9.4
81.07055	51.3
83.08611	5.7
85.06517	2.9
91.05472	9.0
91.29552	1.7
93.07050	27.1
95.04930	2.7
95.08603	92.1
97.10165	7.1
98.21508	3.7
103.85558	2.0
105.07037	25.2
107.08592	44.5
109.06486	2.7
109.10147	58.9
111.08086	2.7
111.11710	10.6
113.06032	9.7
117.07020	3.2
118.53564	1.8
119.08573	53.5
121.10138	47.5
123.08025	4.8
123.11700	31.1
131.07063	12.0
131.08562	13.6
133.10130	40.3
135.08119	3.1
135.11688	35.3
137.09612	7.3
137.13231	15.6
143.08577	3.5
145.10101	17.4
147.11685	21.7
149.13274	15.0
157.10095	8.1
159.11659	18.9
161.13255	20.5
163.14832	9.8
165.12865	2.1
167.51553	1.7
169.10201	2.3
171.11742	12.6
173.13251	20.8
175.14835	10.8
177.16389	11.7
183.10178	16.2
183.11656	2.9
185.11893	2.3
185.13246	12.4
187.14806	16.2
189.16393	6.1
191.10873	1.9
191.14311	4.8
191.17953	25.9
197.13338	3.5
199.14799	4.2
201.16379	7.2
203.17975	16.3
205.19499	12.7
213.16350	4.8
215.17934	13.3
217.19505	18.7
219.21114	6.8
227.17885	2.9
229.19482	18.7
231.21098	10.1
233.15372	7.7
237.15054	2.5
241.19568	2.0
243.21123	7.2
245.22659	15.2
249.14726	2.2
251.16400	19.7
255.21109	6.9
257.22769	2.3
263.16394	3.0
265.17865	2.3
269.22745	5.0
277.17960	3.2
281.22675	2.1
285.22128	2.1
295.24225	3.2
309.25830	3.3
311.27234	5.6
323.27249	17.4
324.27914	3.8
325.28903	59.5
326.29346	4.4
345.24365	3.8
367.33636	6.3
395.33029	59.0
396.32919	2.6
419.33340	2.6
437.34204	22.3
455.35165	100.0
456.35770	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3518
Annotation	3-Epiabruslactone A
Peak:m/z	Relative Intensity
54.47339	0.7
55.05510	7.2
57.07064	3.6
67.05177	1.0
67.05503	14.2
69.03416	1.5
69.06721	1.2
69.07065	19.8
69.48850	7.4
71.01344	1.9
71.04988	6.6
76.16154	0.8
79.05482	6.7
81.07053	31.4
83.04940	1.3
83.08617	7.7
85.06505	1.8
89.02387	1.4
91.05464	7.0
93.02279	0.7
93.07039	15.7
95.04963	3.6
95.08603	58.7
96.08960	1.1
97.06531	1.7
97.10169	4.8
98.20740	1.6
105.07026	14.3
107.08588	34.2
109.06527	2.4
109.10154	39.1
111.08067	3.0
111.11705	7.7
113.06002	9.4
117.06931	1.9
119.08569	29.5
121.06523	1.5
121.10136	34.4
123.08084	4.8
123.11697	17.8
125.09637	2.0
129.06999	1.1
131.07042	3.4
131.08554	5.5
133.09108	1.2
133.10118	24.7
135.08060	5.3
135.11682	32.3
137.09637	6.3
137.13257	13.5
139.07507	1.0
143.08566	2.6
145.10114	12.2
147.08051	1.3
147.11673	17.0
149.09628	2.2
149.13248	13.0
149.14365	1.1
151.07530	1.4
151.11162	1.9
151.14842	2.0
153.09038	1.9
155.08575	1.1
157.08865	0.9
157.10109	5.3
159.08060	0.9
159.11691	11.0
161.09647	1.2
161.13254	13.0
163.11205	2.0
163.14799	8.3
165.09103	1.7
169.10194	1.2
171.11662	5.6
172.12474	1.0
173.09679	1.6
173.13264	16.9
175.11221	1.8
175.14787	6.4
177.12726	1.7
177.16377	7.6
183.10161	4.0
183.11638	1.6
185.13237	6.5
187.14804	11.4
189.12773	2.6
189.16380	6.8
191.14249	5.5
191.17937	8.5
193.12207	2.2
197.13271	1.3
199.14783	2.0
201.12718	1.4
201.16342	5.2
203.14281	1.3
203.17957	12.2
205.12187	0.9
205.15927	3.0
205.19495	6.9
205.83511	0.8
213.12657	1.2
213.16423	2.8
215.14453	1.7
215.17972	3.8
217.19521	10.2
219.13785	1.8
219.17476	1.4
219.21082	2.0
221.15448	1.0
227.17944	1.5
229.19519	5.7
231.13820	1.8
231.21025	7.3
233.15320	8.0
237.14789	1.4
239.18056	0.8
241.19609	2.0
243.21107	1.9
245.15393	0.9
245.22659	4.3
247.16949	1.1
249.14919	3.6
251.16431	33.7
255.21225	3.1
257.22577	1.4
263.16437	1.4
267.21048	0.9
269.22662	1.9
283.24158	1.0
295.24200	1.2
297.26196	0.9
309.25708	1.6
311.27307	1.6
323.27194	5.6
324.28143	1.2
325.28897	13.7
326.29498	0.9
367.33658	4.3
377.32251	1.1
391.33737	1.2
395.33060	20.0
409.34265	1.7
411.35925	0.8
419.33032	2.7
437.28824	1.3
437.34229	16.0
443.72290	0.8
455.35217	100.0
456.35593	3.0
456.43655	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3517
Annotation	Krukovine A
Peak:m/z	Relative Intensity
53.03944	4.9
54.23490	2.6
55.05513	24.0
57.07066	10.2
65.03951	3.7
67.05505	58.7
69.03412	8.3
69.07067	56.3
69.42108	27.7
71.05000	8.1
79.05486	33.3
81.07058	100.0
83.04988	11.1
83.07821	2.7
83.08613	12.0
85.06541	11.1
91.05478	23.9
93.07041	57.6
95.04967	34.4
95.08607	84.9
97.06532	9.3
97.10161	3.9
98.20750	5.6
99.08117	2.7
105.07034	44.9
107.08589	69.3
109.06517	11.3
109.10156	78.8
111.08087	5.0
111.11701	4.7
117.07015	6.2
119.08580	65.0
121.06528	4.9
121.10146	87.3
123.08090	11.1
123.11708	90.8
125.09663	7.2
129.07057	3.8
131.08557	17.4
133.10120	46.5
135.08073	19.9
135.11687	44.3
137.09645	16.8
137.13229	21.4
139.11208	3.5
143.08591	10.8
144.09393	4.3
145.10115	30.4
147.11685	41.6
149.09619	28.3
149.13268	20.2
151.11230	7.2
151.14761	3.8
154.17642	2.5
155.14461	2.8
157.10138	13.4
158.10863	3.0
159.11678	34.9
161.09563	4.2
161.13243	25.6
163.07463	2.4
163.11215	8.8
163.14833	10.5
165.12729	7.2
167.10716	6.4
169.10168	3.3
170.11021	3.2
171.11641	14.6
172.33211	3.3
173.13252	19.6
175.11230	6.1
175.14854	19.4
177.12746	7.1
177.16440	10.8
179.10713	3.3
183.11707	4.7
185.13284	12.2
187.14789	17.2
189.12811	8.2
189.16388	19.9
191.14359	3.0
191.17961	5.2
197.13307	2.6
199.14877	9.0
201.16425	15.3
203.14311	4.0
203.18018	8.2
205.15916	5.7
207.17496	4.1
211.14819	3.5
213.16380	7.4
215.17958	13.8
217.15944	7.7
217.19603	4.8
219.17622	4.6
227.17929	6.0
229.19611	4.8
233.19023	7.5
239.18025	3.0
241.19434	3.9
243.17561	3.2
243.21155	2.8
245.18938	4.2
255.21039	3.5
257.22757	3.1
281.98352	2.6
283.24173	5.6
316.11737	3.6
322.95853	3.2
323.27237	2.9
327.23386	3.9
355.30075	4.0
365.28375	3.7
383.29501	9.0
419.33017	8.5
427.35870	7.1
437.34171	46.6
455.35370	90.5
461.96622	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	455.3518
Annotation	Kuguacin J
Peak:m/z	Relative Intensity
53.03944	0.8
55.05507	8.8
57.07079	1.8
58.66314	0.8
59.05009	1.1
62.72556	0.7
65.03934	1.4
67.05497	14.6
69.03438	2.5
69.07061	17.8
70.35576	1.9
70.35973	1.5
71.04996	1.8
74.54832	0.7
79.05483	12.2
79.05888	0.9
81.07049	31.9
81.07506	1.6
83.05010	1.8
83.08613	5.4
91.05465	12.1
93.07035	26.1
95.04978	2.4
95.08601	40.2
97.06546	1.5
97.10162	3.9
99.04474	0.9
99.08104	1.0
105.07026	28.1
107.08584	43.4
108.35279	0.8
109.06538	2.7
109.10151	42.2
111.08084	5.2
111.11746	1.1
113.09687	1.1
116.67598	0.8
117.07030	4.8
119.08569	24.0
121.06533	1.3
121.10139	45.3
121.93779	0.9
123.08047	4.7
123.11690	6.3
125.09674	1.8
129.07031	2.5
130.07852	1.0
131.08556	9.9
133.06584	1.3
133.10118	19.5
135.08086	3.6
135.11678	12.8
137.09619	7.7
137.13290	3.3
139.11201	3.4
141.06995	1.2
142.07799	2.2
143.08571	6.5
144.09370	1.2
145.10114	12.1
145.11136	1.1
147.08130	2.2
147.11690	13.1
147.12744	0.8
149.09680	3.6
149.13243	21.4
149.14326	1.5
150.77440	0.9
151.11186	1.5
151.14922	1.1
155.08615	3.7
156.09419	2.9
157.10133	9.9
158.10997	1.8
159.11679	16.6
159.12822	1.0
161.09685	3.1
161.13243	11.8
163.11159	6.3
163.14815	13.1
163.16066	1.0
165.09222	1.4
165.12787	1.5
167.10646	4.2
169.10193	3.1
170.10956	1.3
171.11681	7.1
173.09706	1.9
173.13242	15.2
175.11292	2.8
175.14821	15.9
177.13058	2.7
177.16376	100.0
178.16847	2.1
179.10692	1.6
179.14397	1.1
181.10149	1.2
182.10857	1.3
183.10225	1.5
183.11681	9.2
184.12386	0.9
185.13220	7.0
187.11330	1.5
187.14813	14.1
189.12820	3.5
189.16373	18.4
191.14299	2.1
191.17999	3.8
193.15913	2.6
195.11797	1.4
196.12619	0.9
197.13307	5.8
199.11308	1.3
199.14790	6.9
201.12636	4.4
201.16353	9.3
203.14397	2.4
203.17950	8.5
203.19502	0.9
205.15866	2.2
207.13885	1.2
207.17532	1.1
209.05403	0.8
209.13196	1.7
211.14798	3.9
213.16370	6.6
215.14410	3.4
215.17932	5.6
217.15948	3.2
217.19528	4.2
219.13858	1.4
219.17513	1.8
223.14941	2.3
225.16438	4.1
227.14433	1.1
227.18069	2.9
229.16025	3.0
229.19661	2.7
231.17589	2.0
233.15480	2.4
235.16814	4.3
237.16585	2.0
239.17928	3.9
241.15990	1.4
241.19519	1.3
243.17442	6.0
243.21100	1.2
249.16206	1.0
251.18066	1.2
253.19572	1.7
255.21201	1.8
257.19055	4.6
257.22733	1.9
261.18585	7.6
267.21237	1.6
269.22858	1.4
271.24280	3.3
275.20105	5.0
277.17862	4.5
281.22729	1.3
283.24371	1.0
293.71045	0.9
299.23743	1.9
305.21683	1.0
331.22757	0.9
351.30389	1.0
361.29135	1.7
377.32208	1.4
379.29785	1.8
391.33923	1.1
393.31223	3.8
401.32074	5.3
409.30862	1.2
419.33127	18.3
419.38358	1.4
437.34183	38.3
438.34589	1.3
441.21979	1.0
455.35434	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	455.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	5.6
57.07076	2.2
67.05502	12.1
69.06723	1.7
69.07065	25.8
71.04992	10.8
79.05481	6.7
81.07053	25.5
83.08604	5.2
91.05475	6.0
93.07042	17.0
95.04949	2.6
95.08604	62.0
97.06503	2.0
97.10162	3.9
105.06473	1.4
105.07032	14.5
107.08588	28.0
109.06506	1.4
109.09462	2.4
109.10152	35.2
111.08080	2.3
111.11716	8.4
113.06007	3.0
117.06985	2.8
119.08574	41.5
121.06484	2.0
121.10136	37.2
123.08058	7.6
123.11694	16.4
131.07036	3.8
131.08557	8.3
133.10117	21.0
135.11681	18.0
137.09581	8.8
137.13211	7.9
143.08553	2.3
145.10123	12.7
147.11700	15.6
147.78886	1.3
149.09547	1.7
149.13269	11.9
151.11130	1.5
157.10123	4.4
158.10875	1.6
159.11682	14.5
161.13232	9.7
163.11212	1.3
163.14832	7.4
165.09082	3.7
170.10822	1.6
171.11586	6.5
173.13271	14.0
175.11118	1.7
175.14832	10.3
177.12668	1.7
177.16409	4.1
179.17845	1.3
183.10161	32.0
183.11662	2.0
185.13249	14.2
187.14835	13.8
189.16370	2.9
191.14281	6.5
191.17909	11.9
197.11734	1.7
197.13306	2.3
199.14854	3.0
201.16371	3.5
203.17937	6.0
205.19495	6.5
211.13298	3.4
213.16356	4.0
215.17917	5.4
217.19537	10.2
219.13803	2.3
219.21043	2.9
227.17912	1.6
229.19498	6.8
231.21065	20.1
233.15385	3.4
237.14812	12.4
239.17940	2.1
241.19380	1.4
243.21088	6.5
245.22626	7.3
249.14854	1.9
251.16428	8.6
255.21057	25.0
257.18942	3.9
257.22610	3.3
259.24252	9.7
267.21027	2.0
269.22641	5.9
271.24112	1.8
277.17929	1.4
283.24084	1.3
291.19519	2.0
295.24106	5.5
299.20053	2.4
321.25458	1.3
323.27258	9.9
325.28864	28.3
367.33688	2.9
368.40427	1.2
377.32065	1.5
391.00598	1.2
395.28091	2.3
395.33075	32.1
396.33383	2.7
419.33032	1.7
437.34119	14.3
455.35117	100.0
456.35498	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	9.7
57.07069	3.1
59.51829	1.7
59.59406	1.5
67.05502	16.9
69.07066	24.4
69.28085	18.5
70.71189	1.6
71.04990	41.4
79.05492	6.3
81.07056	46.0
81.09621	1.8
83.08622	7.7
89.02405	3.0
91.05490	7.7
92.33419	1.6
93.07037	26.4
93.09169	1.4
95.08601	100.0
97.10171	7.4
98.21581	3.3
105.07030	24.1
107.08592	38.2
108.51875	1.7
109.10148	53.5
111.11689	10.6
113.05991	12.1
119.08574	49.7
121.10136	49.4
123.08079	3.5
123.11703	25.5
124.51244	1.6
129.06963	1.6
131.07042	18.7
131.08542	9.1
133.10121	28.7
135.11684	27.3
137.09596	6.7
137.13252	18.2
143.08537	2.7
145.10141	16.3
147.11665	20.8
149.13246	13.8
157.10159	5.2
159.11685	16.7
161.13246	19.6
162.13992	2.7
163.14828	16.0
165.09082	2.8
165.82829	1.8
171.11653	8.7
172.77405	1.6
173.13243	19.1
175.14818	9.3
177.16400	9.5
183.10178	25.0
185.13243	3.9
187.14777	18.2
189.16406	6.3
191.14365	4.2
191.17938	28.2
193.19518	1.5
199.14888	5.0
201.16353	9.2
203.17966	13.9
205.19525	9.1
209.66801	1.8
213.16383	4.2
215.17981	12.5
217.15855	2.2
217.19513	17.1
219.21022	11.0
229.19511	21.5
231.21053	14.4
233.15547	1.5
237.14879	3.9
241.19582	2.9
243.21040	7.7
245.15285	2.2
245.22623	19.5
247.17047	2.1
250.56818	1.6
251.16455	6.1
255.21144	4.5
257.22702	1.8
259.24200	2.8
263.96921	1.6
265.17993	2.9
269.22610	3.4
277.17981	3.9
291.19492	3.8
295.24307	2.0
309.25964	1.9
323.27390	6.6
324.27893	3.8
325.28864	76.4
326.29456	7.6
334.68951	1.7
345.24258	2.9
383.20627	1.7
395.33237	4.0
411.05069	1.7
411.36261	3.6
419.33310	2.1
437.34247	17.0
455.35184	77.5
456.35583	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3517
Annotation	Embelinone
Peak:m/z	Relative Intensity
54.83966	0.2
55.05507	0.8
57.07068	0.6
67.05503	1.3
68.32217	0.2
69.03423	0.3
69.07059	2.4
70.54474	0.2
70.99988	0.2
71.52290	0.3
79.05495	0.6
81.07043	2.4
83.08607	0.8
91.05479	0.9
93.07030	1.5
95.08601	5.9
97.10184	0.3
99.92931	0.2
101.92607	0.2
105.07014	2.1
107.08595	2.7
109.06519	0.8
109.10158	3.1
111.08065	0.4
111.11699	0.9
119.08572	3.7
119.09377	0.4
121.06506	0.4
121.10127	3.1
123.08035	0.6
123.11700	1.7
129.06969	0.4
131.08588	1.4
133.10120	3.0
135.08032	1.2
135.11693	1.8
137.13255	1.2
143.08498	0.7
145.10107	2.9
147.08008	0.4
147.11690	1.3
149.09610	0.4
149.13293	0.8
151.11279	0.2
157.10135	1.0
158.10925	0.9
159.08038	0.4
159.11711	1.4
161.09566	1.0
161.13278	1.1
163.11116	0.2
163.14786	0.7
169.10201	0.3
171.11674	1.3
173.09665	0.5
173.13252	9.2
175.11197	0.7
175.14839	0.8
176.21007	0.2
177.16376	0.6
183.11678	0.5
185.09692	0.3
185.13203	1.2
187.11150	0.5
187.14799	1.8
189.12799	0.4
189.16400	1.0
191.14279	0.4
191.17899	1.7
197.13277	0.6
199.11229	0.3
199.14838	0.9
203.14319	0.5
203.17964	0.5
205.15924	0.4
205.19543	0.5
207.11775	0.2
209.13342	0.3
211.14893	0.5
213.12692	1.0
213.16365	0.4
215.14313	0.9
215.17924	0.5
217.15993	0.3
219.17390	0.3
223.14859	0.4
225.16364	0.4
227.14351	1.0
229.15869	0.4
229.19391	0.4
231.13770	0.7
231.17342	0.4
233.15361	2.8
240.26822	0.2
243.17422	0.3
247.20418	0.3
251.16309	0.2
263.18097	0.4
281.19055	0.8
299.20166	0.6
309.22089	0.2
310.02646	0.2
341.28250	0.3
351.30579	0.3
369.31738	0.6
401.32068	0.5
419.33005	1.7
437.34174	10.6
438.34247	0.5
455.35172	100.0
456.35507	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3516
Annotation	Kuguacin J
Peak:m/z	Relative Intensity
50.03096	2.1
55.05513	9.6
57.07068	5.0
62.22718	1.8
67.00783	1.9
67.05515	13.3
67.10594	1.7
68.77451	1.7
69.03422	3.6
69.07066	22.7
69.97898	2.0
70.20770	4.5
70.21160	4.4
72.01231	1.7
79.05481	8.4
81.07057	31.4
83.04952	2.8
83.08623	6.3
85.06578	1.8
86.97759	1.7
91.05465	6.6
93.07043	15.7
95.04983	3.8
95.08602	55.9
97.10161	3.8
98.20737	2.2
99.71145	1.9
105.07028	13.9
107.08590	29.3
109.06461	2.8
109.09451	3.8
109.10146	42.0
111.08088	4.1
111.11707	9.4
117.07030	3.9
119.08572	19.9
121.06456	2.8
121.10123	31.5
123.08060	4.7
123.11722	16.0
125.06082	1.7
131.08557	9.9
133.10114	19.5
135.08034	9.5
135.11687	14.9
137.09622	4.6
137.13239	10.9
142.07637	2.2
143.08545	6.9
145.10101	12.2
147.07942	4.4
147.11682	8.8
148.40543	1.8
149.09628	4.2
149.13219	8.1
151.14810	3.0
155.08559	5.4
156.09325	4.9
157.10170	13.0
158.10899	3.9
159.08028	3.7
159.11674	17.7
161.09615	5.6
161.13240	11.2
163.11124	3.0
163.14833	6.3
163.18309	1.8
169.10117	4.7
170.10918	3.5
171.11693	18.3
173.09677	6.5
173.13268	21.4
175.11140	9.5
175.14818	5.8
177.16373	6.5
183.11696	5.2
185.13226	13.0
187.11232	4.0
187.14818	12.0
189.12737	5.7
189.16374	5.5
191.14314	8.7
191.17943	27.1
195.11716	3.4
197.13248	8.3
199.11139	4.1
199.14812	6.1
201.12794	5.4
201.16356	6.4
203.14325	7.7
203.17915	14.6
205.19557	3.8
207.11845	2.7
209.13222	4.6
211.14781	4.5
213.12791	4.8
213.16373	4.7
215.14395	8.9
215.17995	6.2
216.25711	2.0
217.15981	3.7
217.19527	8.2
219.17453	9.3
219.21078	3.2
223.14818	4.8
227.14301	4.5
227.17853	4.0
229.15800	5.3
231.13515	2.5
231.21027	2.1
233.15334	13.9
237.16354	5.2
241.15863	3.5
243.21109	2.7
255.17432	3.6
255.21094	3.5
257.22546	2.6
259.16907	3.0
263.18069	2.3
271.24249	2.5
281.18930	2.4
281.22440	2.7
299.23611	2.6
311.23486	2.3
327.23190	4.3
361.28818	3.3
377.32272	4.8
379.30057	6.4
391.33517	5.7
393.31558	4.1
401.31921	8.2
409.34653	14.4
419.33032	50.6
420.33606	2.8
437.34146	100.0
438.34763	3.9
455.35336	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3517
Annotation	Melilotigenin B
Peak:m/z	Relative Intensity
53.03942	0.5
55.05502	2.3
57.07074	2.5
57.78432	0.6
62.06072	1.9
63.16647	0.5
67.05503	4.8
68.21352	0.5
69.03424	2.3
69.07065	6.6
70.04287	1.9
71.08631	1.1
79.05479	3.4
81.07048	8.6
81.67043	0.5
83.08609	2.1
85.10186	0.6
91.05475	1.9
93.07040	5.3
95.04951	2.8
95.08605	14.5
97.10155	1.7
105.07030	8.5
107.08591	8.2
109.06512	1.3
109.10152	9.5
111.08105	0.5
111.11711	1.4
117.07007	1.0
119.08572	8.0
121.06483	2.0
121.10137	34.3
123.08045	2.2
123.11703	4.9
131.08601	2.6
133.10124	12.4
135.08038	12.4
135.08989	0.9
135.11694	5.0
137.09622	1.2
137.13246	2.4
142.07826	0.6
142.36833	0.6
143.08537	2.4
144.09320	0.8
145.10124	5.4
147.08026	1.1
147.11693	5.7
149.09589	2.0
149.13234	2.2
151.11153	0.6
155.08501	0.8
156.09340	1.1
157.10129	4.7
158.10896	1.5
159.08047	1.2
159.11682	11.8
161.09589	1.9
161.13254	2.5
163.11162	1.0
163.14749	1.2
169.10100	1.1
170.10913	3.9
171.11702	2.5
173.09642	1.8
173.13248	11.7
175.11142	4.1
175.14810	1.8
177.12770	1.0
177.16359	1.0
179.96613	0.5
181.10088	1.0
183.11635	4.2
185.09610	1.6
185.13249	13.2
187.11212	2.2
187.14804	5.2
189.12737	1.5
189.16376	2.2
191.10716	0.6
191.14305	1.3
191.16353	0.6
191.17964	2.2
195.11647	1.6
196.12502	0.8
197.13327	2.5
198.13770	0.6
199.14781	1.8
201.12724	2.9
201.16341	1.3
203.14316	1.0
203.17969	1.0
205.19592	0.5
209.13335	0.9
211.14809	1.9
213.12714	15.0
213.16202	0.9
215.14323	1.8
215.17911	2.4
219.17355	2.4
221.13225	0.7
223.14734	1.1
225.16406	1.5
227.14336	0.9
229.15996	0.5
229.19566	1.2
231.13786	1.6
231.17474	1.3
233.19025	0.6
237.16373	1.1
239.14273	0.8
239.17918	1.0
241.15862	1.5
243.21054	1.8
248.15685	1.0
253.15938	0.7
255.17419	3.8
257.19046	1.5
259.20554	1.2
261.22156	0.6
263.17975	2.9
267.17456	0.5
267.21161	0.6
271.20557	1.0
273.22098	1.9
281.19046	3.8
283.28241	0.9
285.22003	0.6
297.21857	0.9
299.20053	1.3
299.23322	0.6
313.27319	1.0
314.27673	7.3
317.24759	0.8
325.25253	0.7
341.24747	0.7
377.28137	1.0
379.29962	1.3
391.33633	1.1
393.31390	1.2
395.33069	0.6
401.32114	2.8
419.33057	35.4
420.33359	1.8
437.34134	100.0
438.34586	4.0
455.35254	25.8
456.35327	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3519
Annotation	Kuguacin J
Peak:m/z	Relative Intensity
51.14456	2.0
55.05502	14.4
57.07067	7.2
64.73693	2.4
67.05497	20.2
68.94271	2.1
69.03427	5.5
69.07063	34.5
69.70885	4.6
69.71293	11.6
71.08630	2.6
79.05494	9.6
81.07054	51.2
83.08639	9.5
87.91075	2.2
91.05473	12.6
93.07038	27.6
95.04971	4.5
95.08601	77.3
97.06535	3.1
97.10181	6.0
105.07034	19.1
107.08582	39.6
109.06536	3.5
109.10154	53.4
111.08080	5.2
111.11671	10.4
113.20857	2.3
117.07021	4.0
119.08578	26.6
121.06535	5.2
121.10130	37.8
121.10889	3.1
123.08027	10.2
123.11703	26.6
125.09678	3.9
131.08568	13.0
133.06541	2.4
133.10123	28.6
135.08055	17.2
135.11688	21.9
137.09644	6.9
137.13228	12.7
141.07079	2.3
143.08618	7.3
145.10117	17.1
147.08096	9.6
147.11685	19.2
149.09688	6.9
149.13248	15.4
151.07622	3.0
151.11253	2.9
156.09369	2.5
157.10110	13.3
159.08156	4.2
159.11684	20.5
161.09608	15.0
161.13316	11.3
161.46870	2.3
163.07571	2.5
163.11191	6.1
163.14886	4.8
165.12689	2.4
169.10135	3.9
170.10872	4.4
171.11662	15.3
173.09592	14.4
173.13251	14.3
175.11246	10.5
175.14812	11.6
177.09161	2.4
177.12811	6.6
177.16431	10.3
183.11765	4.7
185.09576	5.6
185.13342	8.8
186.10403	3.6
187.11165	10.5
187.14867	10.5
189.12732	32.0
189.14182	2.7
189.16444	7.1
191.10779	6.3
191.14346	5.1
191.17941	25.3
191.19310	2.2
193.12213	2.9
197.13306	7.0
199.11267	8.7
199.14911	8.2
201.12816	7.6
201.16484	6.3
203.14423	9.4
203.18019	4.8
205.12347	8.9
205.19576	14.1
209.13269	4.8
211.14920	7.0
213.12785	12.3
213.16440	4.7
215.14314	15.6
215.17947	5.1
217.15910	4.9
217.19646	6.5
219.13766	2.8
219.21140	6.0
223.14902	3.0
225.16428	2.9
227.14420	7.5
227.18047	3.9
229.15961	5.9
229.19632	7.5
231.13802	50.8
231.17383	3.5
231.21254	3.5
233.15459	4.1
237.14728	3.5
237.16811	3.5
239.18074	4.3
241.15985	6.5
243.21289	3.6
245.15555	4.0
249.14989	7.5
255.17464	4.5
255.21219	5.7
257.22717	4.6
259.17072	2.9
267.17502	2.6
273.18729	2.5
281.19171	7.9
309.22333	3.8
309.25797	2.8
325.25491	2.5
351.26993	6.4
369.27875	2.5
369.32047	2.7
391.34048	5.0
401.32092	5.0
409.34698	2.5
419.33057	85.6
419.38199	4.5
437.34235	66.1
455.35437	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73753	0.6
55.01894	0.9
55.05505	9.5
56.96562	1.9
57.03438	1.2
57.07065	2.2
59.05001	0.7
61.02925	1.4
66.71040	0.6
67.05505	8.3
69.03431	2.4
69.07063	100.0
70.06606	1.0
70.11240	0.5
71.04990	3.5
71.16424	1.5
72.08147	2.6
73.02924	1.6
73.06559	2.7
79.05482	3.1
81.03413	2.0
81.07050	13.9
83.04974	1.9
83.08607	2.3
85.02895	6.3
85.06523	1.4
86.09734	1.1
87.04469	4.7
89.06024	82.5
91.05482	2.4
93.07034	3.9
95.04970	1.6
95.08604	13.4
97.02901	2.0
97.06528	1.1
97.10134	0.9
98.97581	0.8
99.04484	0.6
105.06993	3.4
107.04979	0.9
107.07059	6.2
107.08600	2.5
109.02876	0.7
109.06516	1.2
109.10139	4.5
109.50396	0.6
110.39297	0.7
111.04415	1.0
111.11714	32.7
117.07014	0.7
117.09148	1.9
119.04909	0.7
119.08587	3.0
121.06483	0.7
121.10167	2.0
123.04424	4.1
123.08087	0.6
123.11752	1.5
125.09630	1.5
127.03917	2.0
128.86565	0.6
129.05498	1.0
130.08655	2.0
131.07037	1.5
131.08583	1.3
133.08591	52.8
133.10204	1.6
134.08885	0.8
135.08058	0.7
135.11714	1.4
137.09648	0.9
137.13283	2.2
139.03934	2.2
144.17757	0.7
145.04993	1.0
145.10095	1.4
147.04417	2.3
147.11725	1.2
151.03915	2.0
151.09641	1.5
153.01845	1.7
155.14357	0.7
159.11603	0.7
163.03893	0.7
163.11197	0.9
165.09114	0.9
167.07161	1.0
173.13271	1.0
175.11278	0.8
177.11217	17.2
187.11211	0.9
187.14767	0.7
195.12189	1.0
196.33722	0.7
199.16954	3.1
221.13853	2.1
230.05513	1.2
239.14948	2.4
243.19550	4.9
267.08926	1.2
275.20154	2.0
283.17630	2.8
285.07513	0.7
285.10257	2.5
293.17413	1.7
293.21216	1.9
308.11896	0.8
309.18951	0.7
324.11545	2.0
327.20132	8.8
349.25958	1.2
393.28424	1.1
437.31027	7.8
455.13300	2.5
455.21561	7.6
456.22989	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3518
Annotation	Krukovine A
Peak:m/z	Relative Intensity
50.33551	0.8
55.05505	3.0
57.07059	0.9
67.05189	1.0
67.05507	3.9
69.07053	4.0
70.85963	1.7
70.86333	1.6
79.05473	4.3
81.07053	11.3
83.08618	2.4
90.08122	0.9
91.05463	2.6
93.07038	8.4
95.04982	1.0
95.08598	13.6
96.78039	0.8
97.06514	1.6
98.21433	0.9
99.08105	1.8
103.35873	0.9
105.07027	8.1
107.08588	15.4
109.06525	1.6
109.10145	10.0
111.08081	1.0
112.10856	0.8
117.06962	1.6
119.08577	15.9
121.06525	2.5
121.10131	9.0
121.62420	0.8
123.08040	2.0
123.11671	4.0
125.05970	5.2
127.66982	1.0
129.06999	1.5
131.08574	2.7
131.90163	0.8
133.10124	16.4
135.08072	2.4
135.11681	17.1
137.09669	1.9
137.13261	1.5
139.07550	3.0
143.08582	2.0
145.10114	7.3
147.11678	9.6
149.09648	1.7
149.13307	2.3
151.11201	2.5
157.10124	2.8
159.08067	0.9
159.11627	4.5
161.09583	2.2
161.13245	2.5
163.14854	4.5
169.10121	1.6
171.11739	2.9
173.09666	3.7
173.13313	3.1
175.11241	4.5
175.12500	1.0
175.14883	1.2
177.09161	2.7
177.16447	1.1
182.10941	0.9
185.13261	1.7
187.11186	7.3
187.14740	6.4
189.12733	1.1
189.16385	30.1
191.10654	3.9
197.13307	2.9
199.14896	2.2
201.12741	1.1
201.16319	1.0
203.17967	2.0
205.15894	3.5
205.19614	1.3
207.17429	64.9
211.14891	2.3
215.14331	11.7
217.15880	1.3
219.17422	1.2
221.13280	0.8
227.14494	1.2
229.15863	61.0
230.16255	1.3
231.17426	5.9
233.15353	22.3
243.17502	3.8
247.16922	20.7
257.19034	2.8
269.19070	1.1
283.20587	3.2
321.99756	0.9
393.13849	0.9
419.33075	2.8
437.34235	25.6
438.34314	1.6
455.35263	100.0
456.35660	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40250	2.2
55.01864	4.5
55.05511	20.2
56.96559	2.6
57.03435	3.7
57.07065	3.9
67.05497	18.1
69.03419	8.1
69.07066	100.0
69.44014	18.7
71.04982	5.2
73.02864	2.5
73.06548	2.9
79.05495	9.8
81.03405	5.7
81.07050	20.8
83.04964	5.8
83.08602	8.8
85.02913	11.5
85.06524	8.5
87.04460	5.0
87.51414	2.1
89.06026	92.7
91.05471	8.9
93.07046	16.0
95.04947	4.9
95.08595	22.8
97.02888	4.1
97.06519	5.1
97.10159	3.9
105.07024	14.6
107.04936	2.5
107.07059	6.5
107.08593	13.4
107.23291	1.8
109.02870	3.1
109.06541	5.0
109.10159	12.7
110.70692	1.7
111.04411	3.3
111.11710	34.1
112.40302	1.9
113.09619	4.2
117.07063	2.6
117.09134	3.0
119.04909	3.5
119.08559	14.0
121.06501	4.0
121.10130	12.3
123.04445	13.0
123.08056	5.0
123.11719	4.1
125.09608	5.1
127.03918	3.7
129.12665	1.8
130.08617	5.2
131.07001	2.3
131.08537	6.3
133.06465	3.6
133.08603	54.4
133.10071	9.8
135.08070	5.5
135.11699	7.8
137.09631	9.7
139.03891	5.3
145.10123	8.0
147.04390	10.4
147.08099	3.8
147.11661	6.5
149.09615	4.5
149.13278	3.0
151.03854	5.4
151.09631	12.7
153.01808	14.7
155.14265	2.3
157.10101	3.3
159.11678	7.8
161.05945	2.4
161.13191	2.3
163.03818	3.2
163.11148	5.8
165.01813	3.5
165.09079	7.0
171.11687	3.6
173.13240	6.3
175.11162	3.1
175.14828	5.6
177.05405	2.5
177.11263	18.6
177.12682	3.1
179.10648	2.2
183.11674	2.7
187.11086	2.6
187.14801	4.8
191.14310	2.3
193.12437	2.5
199.14906	4.4
199.16862	3.2
201.12720	2.6
217.15797	4.3
218.09091	4.6
239.14819	3.9
243.19501	6.4
257.18970	7.0
273.07419	3.4
275.20010	29.7
283.17563	2.6
293.13898	4.4
293.17566	3.3
293.20764	10.3
303.08484	2.5
313.13022	3.0
327.19968	8.3
409.16925	2.1
410.17523	2.0
425.18631	2.0
437.25592	2.8
437.31024	7.5
455.18958	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	455.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
55.01865	3.8
55.05499	11.9
55.27203	2.4
57.03422	8.4
57.07051	2.8
59.05000	5.8
61.02914	3.6
65.03944	2.7
65.98058	2.3
67.05499	19.8
69.03428	18.6
69.07063	14.9
70.06586	5.4
70.99263	7.4
71.04985	11.5
72.08142	5.3
79.05473	16.9
81.03416	15.1
81.07050	33.8
83.04987	14.3
83.08611	9.8
85.02896	28.3
85.06533	19.3
91.04020	3.5
91.05463	23.5
93.07034	35.3
95.04961	11.9
95.08602	41.1
97.02885	9.7
97.06554	4.1
97.10150	3.3
99.04451	4.4
99.08089	3.1
105.07024	33.1
107.04953	6.9
107.08598	35.3
109.02865	11.0
109.06523	10.4
109.10146	26.1
111.04431	2.8
111.08065	11.5
113.09644	24.0
115.03931	3.3
116.41826	2.4
117.07018	9.2
119.08575	33.6
121.06489	7.7
121.10150	28.9
123.04408	27.5
123.08030	14.4
123.11685	6.1
125.09618	9.4
127.03901	8.4
129.06973	3.5
129.09073	2.7
131.08553	22.5
133.06465	2.6
133.10114	32.9
135.08102	13.4
135.11681	27.1
137.05965	3.7
137.09596	28.4
139.03885	12.8
139.11185	4.6
143.08511	5.2
145.04973	4.7
145.06465	4.5
145.10121	18.5
147.04359	19.7
147.08040	9.2
147.11655	15.4
149.09608	11.4
149.13336	3.0
151.03899	29.0
151.11098	3.1
153.01836	11.1
153.09070	3.9
155.08562	3.1
157.10130	8.9
159.08031	5.4
159.11670	20.7
161.09636	5.3
161.13214	3.9
162.61958	2.7
163.03885	16.3
163.11147	19.0
163.14815	4.1
165.05431	4.7
165.09097	35.2
165.12782	2.9
167.07066	4.0
171.11647	9.2
173.09616	3.5
173.13237	31.4
175.11157	5.3
175.14813	12.5
177.12817	3.2
179.07014	7.8
179.10709	5.8
182.15369	3.9
183.11694	6.4
185.13277	3.0
187.11128	6.0
187.14839	7.2
189.12743	4.3
191.03377	6.3
191.14267	7.2
193.15895	6.2
197.13275	3.8
199.14792	12.9
201.12743	8.3
205.12172	4.3
205.15909	3.8
207.13834	5.0
210.14922	3.7
213.16400	2.6
215.14359	3.0
215.17972	6.7
217.15814	16.4
219.13817	5.1
229.19495	3.7
233.15450	5.4
233.19136	2.6
239.17911	7.3
245.19012	5.0
257.18939	29.7
263.20071	8.1
265.21393	3.4
267.08838	2.9
275.20053	100.0
276.20050	3.8
282.50586	2.9
285.07483	6.7
285.10345	4.2
293.17282	8.5
293.21045	39.3
298.11081	3.5
303.08658	11.8
306.70410	3.0
331.11871	3.1
455.22260	55.7
455.32709	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01857	1.6
55.05507	1.5
57.03421	2.3
57.07056	0.7
59.55181	0.6
59.70606	0.7
61.02930	4.1
67.05497	3.8
69.03429	7.3
69.07065	3.2
70.32635	0.7
70.72492	1.4
70.72854	1.5
71.04987	3.2
73.02897	1.2
79.05487	3.6
81.03420	3.6
81.07061	3.8
85.02900	26.0
87.04430	1.3
90.15813	0.7
91.03944	1.9
91.05463	6.1
93.06551	0.9
93.07053	10.9
95.04965	1.7
95.08601	7.8
97.02893	6.9
97.06510	1.9
99.04432	1.5
102.41681	0.6
105.07030	6.4
107.08591	14.2
109.02874	2.7
109.06498	2.0
109.10159	11.7
111.08063	2.8
117.07043	1.7
119.08581	10.5
121.06493	11.2
121.10144	7.6
123.04456	4.3
123.08054	3.2
123.11696	3.7
125.09613	1.1
127.03916	5.0
127.11167	1.3
129.07021	1.2
131.08533	3.5
133.06494	0.7
133.10124	12.2
135.08060	10.6
135.11684	16.7
137.09622	5.5
137.13252	1.2
139.03897	1.0
143.08588	1.5
145.04956	4.0
145.06348	0.9
145.10112	5.7
145.66840	0.7
147.04395	0.9
147.08070	4.2
147.11638	4.0
149.09608	7.1
151.07581	1.0
151.11275	0.9
153.01775	0.9
155.08551	1.6
157.10141	3.5
159.08022	2.3
159.11679	6.3
161.09619	13.7
161.13252	1.3
163.11162	6.6
166.08661	2.2
169.04724	4.4
171.11717	2.7
173.09592	5.3
173.13284	6.5
175.11153	5.6
177.12790	0.9
183.11636	2.2
185.13226	1.4
187.11208	8.6
187.14807	3.0
189.12689	3.4
197.13298	2.7
199.14766	1.7
201.12735	8.7
211.14729	1.1
213.16383	1.2
215.14296	7.5
215.17928	1.9
228.72902	0.7
229.19542	3.5
231.17368	1.0
239.17928	8.0
257.18997	80.9
258.19275	1.9
273.07565	1.0
275.20053	100.0
276.20462	1.7
293.13678	1.0
309.03683	24.0
310.03967	2.1
310.07166	0.8
316.22711	2.2
345.04611	1.2
350.05954	0.9
437.25406	9.4
455.09549	15.7
455.22726	11.9
456.09662	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01863	1.1
61.95261	0.4
65.03937	1.1
66.87986	0.5
68.77942	0.5
68.99780	0.6
69.03425	0.8
71.60031	0.7
79.05477	0.9
85.02891	1.0
91.05465	2.0
93.03408	1.2
93.07036	0.4
94.06547	0.5
95.04966	11.7
95.08575	0.6
97.02895	0.6
98.43356	0.4
103.05464	0.9
105.07005	0.5
107.04981	1.2
109.02847	0.5
111.04430	0.9
115.05412	0.7
119.04939	4.9
121.02856	0.9
121.06510	0.8
123.04426	100.0
124.04752	1.3
133.06474	0.8
135.04393	2.8
137.02347	0.8
137.05974	0.6
139.03900	35.7
140.04254	0.7
141.05455	0.9
141.08974	0.4
143.04906	1.2
145.06445	0.6
147.04402	20.2
151.03897	1.6
151.07430	0.6
153.01843	3.1
161.05978	4.3
163.03897	3.3
165.01805	1.1
165.05476	36.4
177.05524	0.7
179.07031	2.2
183.02980	0.8
187.03993	0.7
189.05478	2.1
191.03389	21.7
192.03616	0.4
203.03346	2.3
203.07202	0.5
207.06512	4.7
221.04497	1.5
227.06956	0.5
231.06549	1.2
233.04526	1.0
243.06468	2.5
249.07848	0.7
268.17035	0.4
273.07550	3.4
285.07556	5.4
291.08633	20.6
303.08636	2.5
317.06512	4.0
343.08112	6.6
361.09256	1.0
395.11261	4.3
396.98361	0.5
419.11459	0.8
430.03503	0.6
437.12354	1.5
449.20441	0.4
455.13699	0.9
455.19028	1.6
476.70444	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01862	0.6
57.03415	0.9
61.02923	1.8
69.03430	3.6
69.07063	0.4
70.06573	0.3
71.04978	0.5
71.58076	0.3
73.02907	0.4
77.40949	0.3
79.05484	0.9
81.03412	1.7
85.02898	8.0
87.04449	0.4
91.03912	0.4
91.05471	0.3
97.02882	3.7
99.04458	0.6
102.56017	0.3
105.07028	0.4
107.04928	1.0
109.02868	0.8
119.04930	0.5
123.04436	2.9
124.04781	0.5
127.03911	2.1
133.02811	0.4
135.04399	1.3
139.03889	2.4
140.04207	0.7
145.02864	0.4
145.04929	1.2
147.04382	2.2
151.03899	1.3
153.01814	1.4
153.05473	0.3
161.05962	0.4
163.03899	10.6
165.05472	0.9
175.03914	1.0
177.01845	4.7
179.03395	1.4
191.03389	24.9
192.03709	0.4
193.04950	0.8
201.01845	0.5
203.03389	1.2
205.01312	8.5
205.04941	0.4
207.02870	4.5
207.06097	0.3
219.02873	67.6
220.03178	0.7
221.04382	0.6
229.01370	0.8
231.02841	0.7
233.00829	0.4
237.03937	2.9
247.02383	15.0
248.02736	0.3
249.03929	8.3
260.05502	0.4
263.34216	0.3
265.03452	2.2
265.15466	0.3
275.01819	4.0
288.20010	0.3
293.02893	100.0
294.03265	1.8
303.08575	1.1
455.08258	5.6
455.15149	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65495	0.8
56.04977	0.7
64.06923	0.8
64.74330	1.0
69.80330	4.3
69.80730	1.4
72.14054	0.7
74.16769	0.7
96.37204	0.9
98.21394	1.3
101.00887	1.9
109.29783	0.7
112.89594	21.1
119.01908	8.4
131.01915	3.3
131.51901	1.4
137.01923	1.4
137.02927	1.1
143.01877	6.1
145.03500	2.0
155.01964	0.9
157.03362	1.6
161.02954	26.5
169.03470	6.3
171.05019	3.4
173.03011	3.9
175.04524	1.0
179.03995	1.0
185.02937	1.7
187.04504	8.9
187.23691	0.8
189.05956	1.0
191.04028	1.9
197.02962	3.1
203.04027	10.2
211.54013	1.0
215.03996	6.6
221.03244	0.9
221.05162	2.8
227.04222	1.0
239.06194	1.5
242.00644	1.0
245.05042	1.3
254.05515	1.0
263.06110	21.5
269.05173	0.7
275.06100	37.2
276.06424	2.0
281.06699	0.8
287.06046	2.0
289.07645	1.1
293.07181	5.6
298.69968	0.8
305.07190	2.1
306.99091	0.9
331.03262	0.9
335.08273	2.9
377.09439	1.1
395.10437	2.3
455.11609	100.0
456.12018	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2925
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05507	2.2
57.03432	3.9
57.06791	0.6
57.07073	19.4
62.06084	24.6
67.05509	3.9
69.07067	3.2
70.05801	2.2
71.08626	13.1
75.04488	0.5
79.05486	0.7
81.07058	6.1
83.08609	5.0
85.10176	6.9
89.06022	0.7
95.08601	8.0
97.10155	1.6
98.20853	0.6
98.98466	5.7
99.11697	0.6
100.24953	0.4
103.07560	0.5
105.07001	0.8
108.21044	0.4
109.10155	4.8
110.34415	0.4
114.40611	0.4
114.86601	0.4
119.08528	0.7
121.10097	0.4
123.11674	1.3
124.01590	1.4
133.10172	0.6
142.02632	1.0
146.16634	0.4
155.01004	5.5
173.02126	0.6
193.47420	0.5
198.05254	2.0
216.06282	2.4
221.22369	0.5
239.23665	1.6
282.27902	13.4
313.27341	100.0
314.27591	2.2
357.48770	0.5
393.23935	6.7
436.28061	4.7
436.32840	0.5
454.28763	2.4
454.34317	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11269	0.7
52.63125	0.8
53.03939	1.5
55.01870	9.6
55.05496	2.8
56.96568	0.8
57.03434	15.4
57.07073	1.8
59.04998	1.7
61.02925	15.5
67.05490	3.0
69.03426	35.8
69.07063	9.9
69.44877	2.2
69.45286	6.6
70.78014	0.8
71.01340	3.8
71.04991	5.9
73.02914	73.6
79.05492	2.0
81.03426	8.1
81.07060	4.5
83.04973	2.5
83.08604	5.0
85.02902	100.0
85.06544	1.0
86.03234	1.0
87.04481	4.5
91.03977	4.2
91.05462	2.3
93.07042	2.8
95.04942	1.2
95.08584	2.6
97.02888	60.3
97.06493	1.2
99.04457	4.9
100.11234	1.6
103.03945	3.8
104.57911	1.0
105.07041	1.1
107.08566	1.4
109.02876	7.5
109.06510	1.4
109.10136	2.0
111.04395	1.5
115.03926	27.7
115.04743	1.4
119.04949	0.8
119.08567	1.7
121.06505	0.8
121.10183	1.1
123.04431	2.0
123.11687	1.7
123.60793	0.9
125.89647	0.9
127.03913	30.2
133.04962	31.6
133.06493	1.2
135.11661	1.6
137.05907	0.9
139.03928	1.7
139.07535	2.4
143.14308	2.4
145.04955	44.5
147.04382	1.6
147.11646	0.9
150.07642	4.6
151.03908	2.0
153.01833	3.6
153.12735	2.5
154.73563	0.9
157.04973	1.0
163.03938	1.2
163.06007	17.9
171.13722	1.0
173.13231	0.9
177.12721	1.0
179.14186	1.3
181.04974	1.2
182.15346	1.3
183.13779	1.6
193.05022	1.7
197.15343	0.9
199.14915	1.7
209.15205	1.3
210.14917	1.1
217.07106	1.3
221.15321	1.6
223.06035	7.6
239.16402	2.7
241.07014	8.6
251.16438	1.7
257.17184	1.9
259.08121	9.8
267.09082	0.9
269.17444	2.3
275.18213	1.3
277.09155	1.1
287.18472	2.8
295.10190	3.3
305.19525	3.2
324.11133	0.9
342.07953	0.8
398.46088	0.9
415.76273	0.9
455.22168	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	453.336
Annotation	Melliferone
Peak:m/z	Relative Intensity
55.05492	1.1
57.07077	0.4
57.76285	0.2
59.17397	0.2
60.43108	0.3
67.05492	1.9
69.03415	0.4
69.07066	3.1
71.04992	0.3
79.05488	0.6
81.07055	3.4
83.04986	0.4
83.08611	0.8
91.05489	0.7
93.07040	2.2
95.04964	0.5
95.08600	6.7
97.10173	0.5
98.20787	0.5
100.11234	1.2
105.07030	1.7
107.08594	3.0
109.06502	0.9
109.10148	4.2
111.08073	0.5
111.11704	1.0
117.07050	0.3
119.08582	4.7
121.10147	3.1
123.08073	0.7
123.11690	1.9
131.08575	1.1
133.06442	0.3
133.10124	2.8
135.08031	1.2
135.11687	2.0
137.09554	1.2
137.13264	1.0
143.08606	0.7
145.10086	1.9
147.08089	0.5
147.11662	1.3
149.09641	0.9
149.13277	0.7
155.08578	0.6
156.09323	0.4
157.10097	1.4
158.10822	0.3
159.08040	0.4
159.11684	2.5
161.09618	1.1
161.13243	1.3
169.10115	0.4
170.10930	0.9
171.11705	1.0
173.09616	0.6
173.13274	2.5
175.11171	1.1
175.14740	1.1
177.12668	0.4
177.16374	0.4
182.10936	0.7
183.11658	1.7
184.12415	0.3
185.09621	0.6
185.13220	2.6
187.11244	0.7
187.14832	0.8
189.12776	1.8
189.16406	0.8
191.17952	1.1
192.24582	0.2
195.11647	0.6
197.13257	1.4
199.11313	0.4
199.14836	0.3
201.12787	0.6
201.16473	0.4
203.14340	1.3
203.17896	0.3
207.11719	0.3
208.12291	0.2
209.13278	0.4
211.11191	0.7
211.14859	0.4
213.12753	1.0
215.14326	0.4
217.19661	0.3
219.17529	0.2
221.13231	0.3
223.14870	0.2
225.12759	1.0
225.16405	0.3
227.14400	0.4
227.18019	0.3
229.12378	0.4
229.19560	0.4
231.13782	1.6
231.17502	0.5
233.19107	0.3
239.14320	0.4
241.19466	0.3
243.13802	0.4
247.13188	1.2
253.15869	0.8
260.01248	0.2
271.33475	0.3
279.17450	0.5
283.24030	0.3
344.75851	0.2
377.28809	0.3
393.31638	0.5
399.30344	0.3
407.33215	0.3
417.31567	0.8
435.32623	3.2
453.33624	100.0
454.33978	5.5
462.87894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.336
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.75277	0.8
55.05507	4.5
57.07064	3.3
62.09894	0.9
63.98990	0.8
67.05510	9.1
69.03426	2.6
69.07065	14.7
69.51894	7.8
71.01346	1.6
71.04594	1.3
71.04990	20.5
79.05500	4.3
81.07051	18.5
83.04989	1.1
83.08610	4.2
85.06509	1.3
85.58890	0.8
89.02381	1.2
91.05456	4.5
93.07037	9.8
95.04972	2.4
95.08601	32.6
97.06496	1.5
97.10164	2.5
105.07014	9.9
107.08594	15.4
109.06525	2.2
109.10144	19.2
109.10831	1.8
111.08080	2.9
111.11705	5.1
113.05997	6.6
117.07019	2.6
119.08575	26.9
121.10130	12.8
123.08089	3.5
123.11692	9.3
125.09636	1.4
125.13265	1.2
127.11206	1.0
129.07016	1.4
130.07793	2.0
131.07042	11.0
131.08549	6.3
133.10130	14.8
135.08067	2.7
135.11647	6.0
137.09625	4.1
137.13231	8.8
139.11229	1.0
141.06969	1.4
142.07785	2.3
143.08572	6.5
144.09380	1.6
145.10109	17.1
147.11685	8.7
149.08366	0.8
149.09615	2.9
149.13272	3.8
151.11220	1.1
151.14799	1.2
155.08568	2.6
156.09334	3.5
157.10109	10.5
159.11685	23.0
161.09581	1.6
161.13277	5.5
163.11166	1.0
163.14835	3.1
168.09309	1.1
169.10100	6.1
170.10878	2.7
171.10236	1.4
171.11636	14.0
173.13287	5.8
175.11229	2.1
175.14862	3.2
177.16389	3.8
179.10651	2.2
181.10146	2.2
183.10204	1.6
183.11676	7.7
184.12485	2.0
185.13254	17.1
187.11128	1.3
187.14825	3.1
189.12753	2.7
189.16402	3.0
191.14279	1.4
191.17937	7.0
195.11633	4.3
196.12526	3.1
197.11697	3.0
197.13303	5.6
199.14748	4.2
201.12889	1.3
201.16429	2.9
203.17992	2.4
205.19496	3.0
207.11702	1.6
209.11591	1.4
209.13206	1.9
210.14189	1.6
211.13048	1.2
211.14845	10.8
213.12805	1.8
213.16394	5.3
215.14252	2.2
215.17857	4.9
217.12303	1.1
217.15982	1.4
217.19402	5.2
223.14902	1.9
225.16350	7.4
227.17931	5.6
229.12222	1.7
229.19536	3.2
231.13783	6.6
231.17429	1.3
231.21025	1.2
235.16869	1.7
237.16417	2.8
239.14288	1.0
239.18034	2.6
241.19502	2.6
243.21075	2.2
245.22531	1.3
251.17937	1.3
253.15746	2.5
253.19557	1.8
255.17567	1.6
255.21039	1.9
257.15445	1.9
257.22556	5.0
267.21188	1.6
269.22583	4.8
271.16855	1.8
279.20966	1.2
281.22687	1.5
283.24173	4.7
297.18463	2.3
307.24081	1.6
309.25650	2.8
315.19623	1.8
321.25781	3.6
322.26505	2.1
323.27267	17.0
324.28046	3.8
339.26926	1.0
365.32114	4.3
389.31918	2.6
393.31543	12.5
407.33090	1.1
409.34683	2.7
417.31522	3.5
435.32611	22.1
453.33652	100.0
454.33932	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	453.3361
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03935	1.4
54.56543	0.7
55.05507	5.6
57.07067	2.4
67.05495	11.8
69.03415	1.3
69.07061	15.0
70.73540	2.6
71.04977	1.6
73.00537	0.8
79.05491	6.3
81.07051	24.9
82.07344	0.9
83.04987	1.2
83.08616	3.5
91.05477	6.8
93.07042	12.8
95.04948	2.5
95.08597	35.4
95.55729	0.8
97.06525	0.9
97.10176	2.2
105.07018	10.1
107.04919	1.0
107.08586	19.3
108.64510	0.7
109.06517	3.1
109.10144	18.0
111.08068	3.7
111.11706	3.6
111.53442	0.8
117.07022	3.4
119.08570	16.0
121.06493	3.2
121.10133	16.3
123.08060	4.2
123.11691	9.5
129.06970	2.1
130.07787	0.8
131.08548	7.3
133.06560	1.5
133.10117	20.7
133.11079	1.4
135.08038	12.5
135.11681	9.3
137.09633	4.4
137.13257	12.0
142.07748	1.5
143.08553	3.2
145.10103	12.9
147.08047	3.4
147.11667	12.2
149.09618	6.7
149.13264	4.1
151.07564	1.3
151.11163	2.3
151.14836	1.2
153.07014	1.0
155.08545	2.0
156.09357	1.6
157.10106	9.9
159.08057	2.2
159.11681	12.2
161.09590	5.8
161.13239	5.1
163.11180	3.8
163.14836	1.2
165.09140	2.6
167.10609	1.3
169.10120	4.7
170.10825	1.0
171.11696	8.5
173.09656	4.1
173.13275	10.4
174.13910	1.0
175.11188	4.3
175.14828	3.1
177.09079	4.9
177.12820	1.4
177.16383	1.6
179.08524	1.0
179.10661	2.5
181.10039	1.2
183.11603	6.8
184.12439	1.3
185.09618	2.4
185.13226	7.0
187.11211	2.6
187.14799	5.5
188.15344	1.0
189.12683	2.4
189.16386	2.9
191.10614	2.6
191.17972	1.8
193.10214	1.3
193.12242	1.4
195.10124	2.2
195.11711	3.0
197.13284	5.3
199.11217	1.9
199.14838	4.1
201.12791	2.3
201.16435	4.4
203.17938	2.1
205.12259	1.0
207.11720	2.4
208.12495	1.3
208.55518	0.9
209.13316	3.7
210.14037	1.5
211.11180	1.4
211.14798	3.7
212.15430	0.9
213.12775	2.1
213.16360	2.5
215.14380	1.5
215.17928	1.6
217.12169	1.4
217.19432	0.9
221.13261	2.4
222.14078	0.9
223.11276	1.3
223.14848	2.6
225.12785	1.1
225.16365	4.2
227.14337	1.3
227.17976	2.8
229.15903	1.7
229.19534	3.3
231.13698	1.0
231.20926	1.0
233.15466	1.4
235.14935	2.9
236.15703	1.2
237.12686	2.3
237.16406	2.8
239.14301	1.9
239.17979	2.8
241.19482	6.2
242.20088	1.2
243.17412	1.1
243.21077	15.8
244.21515	1.2
245.22662	4.8
246.14067	1.0
249.16454	1.1
251.14253	1.0
251.17963	4.1
253.15805	4.2
253.19699	1.2
255.17412	1.1
255.21155	4.9
257.22604	27.2
258.23315	1.8
259.24304	2.2
261.16403	2.3
263.17947	1.3
265.19568	1.5
267.17532	2.4
267.21048	1.4
269.19385	1.6
269.22604	13.6
271.21634	0.9
271.24173	5.7
279.17450	6.7
279.20428	1.0
281.19214	1.1
281.22659	2.0
283.24213	4.6
285.18658	2.0
285.22076	1.5
295.24393	1.4
297.18524	17.6
307.20779	1.3
307.24133	2.3
319.24463	1.0
321.22345	1.1
321.25815	2.8
323.23459	1.1
325.21606	1.5
329.21207	1.0
361.25394	1.4
363.30496	1.5
374.29800	1.0
375.30460	2.9
379.26038	1.2
389.32489	4.0
391.29883	4.9
393.31888	4.2
399.30389	3.6
407.33145	5.6
417.31519	19.8
425.34210	2.6
435.32574	80.6
436.33008	2.7
453.33676	100.0
454.34253	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	453.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	7.5
55.01856	6.2
55.05504	30.8
57.03424	12.9
57.07080	10.9
58.31330	1.9
59.04981	2.2
59.19397	1.9
61.02907	8.3
63.71317	2.1
65.03967	2.5
66.64254	2.0
67.05502	42.6
69.03078	3.2
69.03426	45.7
69.06725	3.2
69.07066	50.1
70.86137	6.1
71.04978	7.4
71.05378	2.0
71.08626	6.3
73.02889	6.4
79.05045	3.3
79.05478	26.2
79.60093	2.6
81.03419	24.1
81.07052	100.0
81.44554	1.9
83.04973	4.4
83.08615	21.1
85.02898	85.2
85.06554	15.5
85.10170	2.4
87.04450	6.2
91.03955	4.9
91.05473	25.3
93.06474	4.0
93.07041	61.6
95.04942	10.1
95.08600	78.5
97.02876	28.3
97.06516	5.1
97.10159	14.9
99.04420	12.1
99.08073	11.3
101.02373	2.8
103.03913	3.5
103.05450	2.4
105.07032	36.0
107.04917	3.8
107.08594	56.7
109.02870	11.2
109.06504	6.9
109.10154	51.6
111.04440	4.7
111.08078	6.9
111.11680	7.7
111.93326	2.8
113.50954	2.3
115.03902	6.7
117.06998	6.4
119.07787	3.6
119.08563	36.0
121.06464	3.0
121.10143	43.9
123.04413	7.8
123.08046	4.3
123.11684	26.0
125.09606	4.6
125.13272	2.5
127.03910	27.0
127.11148	2.5
129.05476	2.7
129.06960	3.4
131.08540	13.4
133.06465	2.5
133.10152	18.6
135.08002	3.6
135.11676	28.1
137.06001	2.7
137.09607	6.3
137.13226	8.0
139.11188	2.8
143.08566	5.6
145.04926	12.4
145.06560	2.4
145.10115	14.7
147.08092	6.2
147.11668	15.9
149.09615	5.5
149.13258	48.1
151.07487	2.4
151.11140	2.3
155.08533	3.1
157.10101	7.3
159.11693	14.3
161.09560	5.2
161.13239	13.1
163.11160	3.5
163.14821	20.0
165.09041	4.7
169.10037	4.2
171.11678	2.6
173.09616	4.3
173.13240	9.5
175.11133	2.8
175.14827	8.4
177.16371	6.1
183.11534	2.8
185.13290	3.1
187.11064	2.7
187.14789	5.8
189.16331	6.7
191.17902	5.4
197.83351	3.1
199.14732	4.1
201.16333	4.8
203.17989	6.2
205.15903	2.9
212.50406	2.4
215.18065	2.6
217.19476	5.6
273.25812	12.0
289.25037	4.2
291.26816	66.3
292.27142	3.2
303.26825	4.3
309.27826	4.6
315.26843	4.0
333.27609	2.4
353.28333	3.0
357.27850	2.6
371.29028	3.3
381.27536	2.9
387.28781	2.9
389.30978	2.8
399.28918	12.8
407.32669	3.0
417.29807	11.8
435.30643	11.7
453.24435	6.1
453.32254	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	453.1388
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.11343	0.5
53.03933	0.9
54.03611	0.4
55.01872	1.7
56.96559	0.7
57.03427	1.1
61.02920	1.4
65.03934	1.3
67.05500	1.4
68.99786	1.5
69.03433	4.6
70.06617	0.5
70.51052	0.4
71.05006	0.8
71.59502	0.7
71.59901	0.7
73.02915	0.9
79.05459	0.8
81.03428	2.3
83.01315	0.4
83.04983	0.9
83.31419	0.5
85.02901	12.9
87.04461	0.8
89.07138	0.6
91.03971	0.6
91.05474	2.1
93.03428	0.9
95.04966	3.0
95.67426	0.5
97.02892	4.6
99.04433	1.0
103.03951	0.5
105.41148	0.6
107.04938	1.9
109.02866	1.9
111.04442	3.0
115.05401	0.5
119.04940	5.2
121.02861	0.8
121.06475	0.5
123.04421	66.1
124.04720	1.1
127.03916	5.0
135.04437	3.7
137.05972	1.6
139.03891	100.0
140.04257	1.9
143.04910	0.7
145.04968	2.3
145.06445	0.5
147.04396	19.2
149.05954	0.8
151.03894	6.3
151.07512	0.6
153.01822	2.4
153.05463	1.2
161.05960	3.9
163.03896	14.4
165.05467	17.5
165.06873	0.9
169.04970	1.3
173.06032	0.5
175.03888	0.9
177.05446	1.5
179.07037	1.6
181.04926	1.5
189.05441	1.9
191.03363	0.6
193.04868	0.9
201.05486	0.5
205.04956	4.3
207.06535	3.3
213.05524	0.6
217.04877	0.9
231.06503	0.6
235.05986	0.8
237.02994	0.5
241.04951	0.6
243.59145	0.5
247.06134	2.5
249.52159	0.5
255.01854	0.6
255.06448	0.6
257.04236	0.6
265.07043	0.7
273.00604	0.5
273.07516	5.3
273.12469	1.4
280.61383	0.5
283.08087	1.3
285.07483	1.3
291.08609	23.7
291.13474	1.5
292.09055	0.8
301.03854	0.6
301.06805	1.1
303.08667	1.4
315.08569	1.7
321.51132	0.5
327.08783	0.5
333.09659	0.8
435.11630	0.7
453.09732	2.2
453.18121	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04020	0.7
55.01957	1.7
55.05597	2.0
57.03510	0.8
63.77447	0.6
65.04017	1.1
67.05605	2.6
68.99861	0.8
69.03194	0.9
69.03534	1.8
69.07150	1.3
69.40070	0.6
70.06549	2.4
70.06953	1.3
71.05059	1.1
73.02976	0.9
77.04001	0.9
79.05613	3.1
81.03076	0.7
81.03529	2.1
81.07169	5.8
83.05061	1.0
83.08708	1.6
85.03017	2.9
86.09315	1.2
86.09821	2.9
87.10136	1.2
91.05602	2.6
93.03511	0.8
93.07169	2.5
95.01194	0.8
95.05080	2.9
95.08736	2.4
96.84509	0.6
97.03018	2.3
97.06580	0.9
100.11390	3.3
101.54955	0.6
103.05615	2.6
105.02876	0.7
105.03497	1.5
105.07143	1.9
107.05090	5.2
107.08712	2.2
107.91525	0.7
109.02879	5.0
109.06625	1.6
109.10269	2.2
110.62166	0.6
111.04549	1.7
113.02232	1.1
115.05603	0.7
115.86691	0.7
119.04942	5.6
119.08696	1.5
121.02977	1.2
121.10247	1.8
123.04422	59.3
123.11696	3.1
124.04896	1.4
124.12132	0.8
125.00131	2.1
125.06116	1.0
126.00538	0.7
127.04000	1.6
131.04919	6.5
131.08669	0.8
133.06638	1.0
135.04416	7.9
135.06943	0.6
135.08322	0.9
135.09323	2.5
135.11732	1.3
137.02454	1.0
137.05972	7.6
138.06450	0.8
139.02896	0.7
139.03889	12.7
141.07220	0.8
143.05038	1.2
145.10217	0.9
147.04407	16.1
147.11812	0.6
148.04819	0.9
149.06151	1.5
149.07635	0.7
151.03897	34.5
151.07538	3.0
151.90730	0.7
152.04288	1.2
153.01930	1.4
153.05467	4.7
157.10237	0.7
159.11775	0.7
161.05983	4.0
163.03909	5.7
163.07675	2.8
165.05475	11.8
165.09308	0.7
169.05087	5.7
169.06396	1.4
173.06102	2.8
175.04012	1.1
175.07599	1.1
177.05473	6.8
178.05963	2.7
179.03493	2.2
179.05913	1.3
179.07306	1.4
181.03677	1.0
181.04970	4.4
182.15509	1.3
183.08130	0.9
184.07327	11.8
185.04318	1.1
185.07788	4.5
185.09370	0.7
187.07721	0.7
189.05574	1.8
193.04958	11.0
197.06088	1.9
199.07672	0.9
201.05482	1.0
205.08725	0.8
207.06519	6.2
209.16631	0.8
210.14983	1.0
211.07503	1.2
215.07033	4.1
216.07539	5.1
217.05156	0.8
217.08632	1.9
219.06482	0.8
226.19144	0.7
239.07085	1.4
243.06554	0.9
251.61099	0.8
255.23250	1.0
257.08157	1.8
257.15466	1.2
267.06607	1.1
273.07483	1.1
273.24484	1.0
276.99515	0.7
285.07611	6.3
291.15714	2.4
301.10800	4.9
303.08621	100.0
304.08807	2.0
330.10284	1.1
331.10889	0.7
358.89838	0.7
453.16913	34.8
453.34076	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	453.1387
Annotation	Sieboldin
Peak:m/z	Relative Intensity
51.02370	0.6
53.03935	1.2
55.01863	1.1
57.03402	0.8
61.02922	0.8
67.05487	0.6
68.99742	0.5
69.03426	3.7
69.07070	0.6
69.95724	2.1
69.96151	0.7
79.01830	3.0
81.03408	5.2
81.07002	0.7
83.04956	0.7
85.02896	6.4
86.06049	1.6
86.09703	0.9
91.05466	1.5
93.07055	0.6
95.04960	1.8
95.08630	0.5
97.02891	3.8
98.20908	1.0
98.21477	0.5
99.04416	0.9
100.32851	0.4
103.03937	1.2
105.07022	0.7
107.01311	1.8
107.04952	1.3
107.08587	0.7
109.02878	4.7
109.10163	0.5
111.04450	0.8
119.04915	1.4
121.06487	1.7
121.10119	0.5
122.32656	0.5
123.04423	13.7
124.03948	0.5
125.02335	3.8
125.09639	2.5
127.03068	0.7
127.03921	7.7
131.04929	0.6
133.10118	0.8
133.14171	0.4
135.04407	2.7
135.11693	0.5
136.07620	0.7
137.02293	0.6
137.05946	2.2
139.03903	4.9
143.03415	5.6
145.04932	1.5
146.06026	0.9
147.04384	3.0
149.05937	0.6
151.03896	1.6
153.01820	100.0
154.02184	1.5
155.03397	1.6
161.06010	0.6
163.03879	3.1
163.07503	1.1
165.05493	3.6
171.02861	10.3
173.05894	0.7
175.07556	1.5
179.03413	0.6
181.04944	0.7
187.03822	0.7
187.07542	0.7
191.03352	0.9
195.02890	1.0
197.01262	0.5
201.08974	0.6
201.37488	0.5
207.06503	0.7
207.94351	0.4
213.03931	1.1
215.03484	0.9
229.08543	1.1
231.02937	0.7
232.03656	1.4
239.30972	0.5
245.04338	0.8
245.12846	0.5
247.06065	0.8
247.09770	1.6
255.05043	1.9
259.02423	1.5
271.06039	1.5
273.03772	0.9
273.07507	1.0
273.12259	0.8
276.02664	1.5
285.07635	0.5
291.05063	10.3
291.08481	1.2
291.13400	1.8
294.70822	0.5
297.06018	5.1
301.07031	1.2
301.10342	0.5
303.01373	0.8
303.08783	1.7
313.07397	0.5
315.07031	9.7
324.41916	0.6
335.56119	0.5
394.98929	0.6
453.07892	1.0
453.14136	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1388
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.02374	0.3
51.60933	0.3
53.03936	0.8
55.01870	0.9
57.03430	0.9
61.02933	1.0
65.03933	0.8
67.05499	0.9
68.09401	0.3
68.99793	1.2
69.03419	2.8
70.59439	0.6
70.59838	0.4
71.04999	0.4
81.03412	1.5
83.04962	0.5
85.02901	8.9
87.04465	0.3
91.03908	0.4
91.05466	1.9
91.91161	0.3
93.03408	0.8
95.04958	1.6
97.02888	3.6
98.20866	0.3
99.04449	0.3
103.03930	0.3
105.03418	0.3
107.04952	0.7
109.02877	1.1
111.00758	0.4
111.04452	3.0
116.98623	0.3
119.04941	4.9
123.04420	51.4
124.04777	0.9
127.03922	2.8
131.04890	0.3
133.06477	0.3
135.04393	1.5
137.05952	0.5
139.03893	100.0
140.04259	1.0
143.04926	0.5
145.04961	1.1
147.04401	16.6
148.04730	0.8
151.03909	3.6
153.01884	0.8
153.05484	0.7
161.05978	2.3
163.03899	4.2
165.05464	10.9
169.04964	0.6
177.05476	0.8
179.07040	1.0
181.04930	1.3
187.03790	0.3
189.05487	1.2
205.04938	1.6
207.06516	2.0
218.97284	0.3
232.03589	0.4
235.06194	0.4
247.05984	0.5
247.75124	0.3
255.14862	0.5
265.07181	0.5
273.07556	12.9
273.12329	0.6
273.15765	0.4
274.07938	0.4
276.02448	0.4
283.08249	0.6
285.07556	0.6
286.99988	0.5
291.05057	2.9
291.08545	16.4
291.13516	1.1
297.07410	0.4
301.06812	0.7
303.08401	0.7
315.08563	0.9
392.18997	0.3
393.02606	0.6
435.12671	1.7
453.12769	0.4
453.22159	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1389
Annotation	Catechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03936	1.2
55.01870	1.3
57.03439	1.0
61.02927	2.2
65.03949	0.8
67.05497	1.2
68.99786	1.4
69.03421	4.2
71.05005	0.8
71.57916	0.4
71.58298	0.6
81.03402	2.7
83.04983	1.0
85.02901	13.1
87.04438	0.9
91.03942	0.6
91.05479	1.7
93.03381	0.9
95.04957	2.4
97.02874	4.5
99.04445	1.0
103.03968	0.8
105.03365	0.5
107.04948	1.3
109.02852	1.8
111.04465	2.5
116.98615	0.4
117.07059	0.4
119.04947	4.6
120.08104	0.4
123.04422	64.8
124.04757	1.1
127.03921	4.7
131.04913	0.5
133.02707	0.5
133.06392	0.5
135.04440	3.0
137.02327	0.6
137.05978	0.7
139.03894	100.0
140.04187	0.8
143.04915	0.9
145.04926	2.1
147.04395	19.9
148.04807	0.4
149.05971	0.7
151.03899	6.7
151.07526	0.7
153.01801	1.4
153.05415	0.7
154.02177	0.6
161.05963	3.7
163.03897	10.8
164.04279	0.4
165.05467	16.9
165.06866	0.9
169.04944	1.4
175.03952	0.8
177.05469	1.9
179.07010	1.5
181.04951	2.8
185.05997	0.5
189.05486	1.6
191.03371	0.6
201.05179	0.5
205.04930	3.7
207.06516	4.7
217.04936	0.9
229.05009	0.7
235.06023	1.5
247.06044	2.2
249.07539	0.6
259.05933	0.7
265.07135	1.4
273.07513	4.6
273.12283	0.4
283.08163	1.8
285.07465	0.9
291.08606	35.4
292.08920	0.8
301.09555	2.3
303.08618	0.9
315.08557	1.7
357.09537	1.2
381.09756	0.5
435.11230	0.5
453.08865	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1388
Annotation	Catechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03936	1.0
54.10013	0.4
55.01854	1.3
56.96550	0.6
57.03432	1.2
61.02921	2.2
61.57467	0.3
64.39217	0.4
65.03925	0.9
67.05498	1.4
68.99791	1.2
69.03424	6.8
69.95465	1.1
69.95877	1.1
71.04990	0.7
73.02905	0.8
77.03910	0.5
81.02999	0.4
81.03416	3.1
83.04978	1.1
85.02901	19.1
85.07696	0.4
87.04468	0.7
91.03940	1.2
91.05473	1.0
93.03391	1.4
95.04967	1.9
97.02889	4.8
99.04438	1.4
104.64228	0.4
105.03370	0.5
107.04932	1.4
109.02885	2.2
111.04424	2.7
119.04938	5.3
123.04421	56.9
124.04780	0.5
127.03923	5.0
133.06456	0.5
135.04427	2.9
137.05936	1.0
138.05489	0.4
139.03894	100.0
140.04228	1.2
143.04900	0.9
145.04951	3.1
147.04401	15.1
148.04776	0.4
151.03880	4.1
153.01854	0.9
153.05409	2.1
157.63535	0.4
159.04311	0.4
161.05954	2.8
163.03900	4.8
165.05467	14.9
169.04973	1.1
177.05478	1.0
179.03317	0.4
179.07065	1.3
181.04936	1.3
187.03952	0.5
189.05429	1.4
201.05373	0.5
205.04903	1.4
207.06474	2.0
213.05479	0.5
219.06577	0.5
229.04959	0.4
231.06572	0.5
235.05995	0.4
247.06007	0.9
249.07410	0.5
265.07071	0.5
271.05969	0.4
273.07654	4.9
273.12228	2.5
291.08621	17.2
291.13339	3.5
301.09247	0.7
303.08389	0.5
315.08698	0.7
329.15598	0.4
339.94614	0.4
453.09677	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	452.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01860	6.5
55.05499	2.7
57.03181	2.0
57.03433	19.2
61.02922	20.3
67.05494	11.6
69.03426	38.1
69.07043	2.1
70.06577	1.6
70.16680	2.8
70.17048	5.7
71.01342	5.6
71.04986	15.6
73.02911	90.2
73.91835	1.3
79.05476	3.8
81.03427	9.1
81.07059	20.9
85.02900	100.0
86.09704	1.9
87.04468	6.4
87.65514	1.3
88.24960	1.4
91.03938	4.9
91.05487	2.9
92.05836	1.5
93.07028	3.7
95.04984	1.8
95.08597	4.4
96.32706	1.2
97.02885	71.0
97.06508	1.5
97.10204	2.2
99.04439	4.9
99.07085	1.2
99.80129	1.4
103.03925	4.8
104.10692	2.1
105.07023	2.4
107.08568	4.1
109.02898	7.6
109.06461	1.7
109.10103	1.4
115.03924	36.6
119.04972	3.6
120.05241	1.4
121.10158	3.1
123.04426	10.4
123.11726	12.6
125.02377	1.4
127.03905	37.1
133.04951	43.7
133.10129	3.7
135.04420	2.3
135.09128	2.6
135.11671	1.9
137.05960	2.9
137.09651	1.9
139.03928	4.3
139.07596	2.0
141.12761	5.3
145.04951	47.3
147.04398	11.0
148.04742	2.7
150.07590	4.1
150.42665	1.3
151.03912	3.2
151.11217	2.4
156.22275	1.5
160.34290	1.2
163.03870	2.6
163.06023	16.8
163.11177	1.4
165.05461	1.9
165.12822	1.6
169.04974	2.1
177.05522	6.5
178.05862	3.8
181.12248	2.1
184.07314	6.6
193.04904	2.1
199.05954	3.2
201.11275	1.5
203.28580	1.2
217.06999	3.6
219.13863	3.3
223.05963	10.3
231.13762	1.9
237.14928	2.9
237.18507	2.1
241.07076	10.4
249.14690	2.5
255.15961	2.4
259.08139	12.2
267.15988	2.5
277.09125	3.6
285.17007	1.6
295.10205	3.7
303.18027	2.7
303.32959	1.3
320.20508	1.9
452.24200	3.1
472.04565	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3204
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
50.33878	0.2
53.14744	0.2
55.05510	1.2
57.07088	0.5
67.05492	1.7
69.07064	3.9
70.57563	1.0
71.04985	0.3
71.08607	0.2
73.22182	0.2
74.10662	0.2
79.05489	0.8
81.07053	5.1
83.08605	0.9
90.28458	0.2
91.05463	0.8
93.07016	1.6
95.04970	0.4
95.08599	6.2
97.10167	0.7
101.54447	0.2
105.07023	1.2
107.08593	2.8
109.06562	0.3
109.10138	3.2
111.11703	0.9
113.06017	0.3
119.08586	1.7
121.06512	0.3
121.10143	1.9
123.08057	0.5
123.11725	1.2
131.08568	0.8
133.10146	1.1
135.08029	1.3
135.11652	1.1
137.13264	2.1
143.08604	0.4
145.10117	1.0
147.11662	0.7
149.13260	0.6
152.06326	0.2
155.08511	0.3
156.09424	0.3
157.10083	1.2
159.08060	0.4
159.11678	1.0
161.09587	0.6
161.13237	0.7
169.10161	0.4
170.10876	0.5
171.08052	0.5
171.11674	1.2
173.09618	1.5
173.13297	1.0
174.10425	0.3
175.11162	0.4
183.11690	0.9
185.09599	0.7
185.13272	1.1
186.10416	0.7
187.11214	2.1
189.12849	0.4
191.17950	0.4
195.11760	0.7
196.08945	0.2
197.09618	0.6
197.13275	0.5
198.10381	0.7
199.11195	1.4
199.14838	0.3
201.12735	1.8
209.09631	0.3
209.13234	0.7
210.10379	0.2
211.11206	1.8
211.14862	0.5
212.11908	1.7
213.12740	5.1
217.15927	0.2
217.19577	0.6
223.11172	5.8
223.14702	0.4
224.11905	0.7
225.12740	1.0
225.16345	0.6
226.13516	0.5
227.14293	6.3
229.12309	0.8
230.25804	0.3
233.11644	1.2
237.12714	1.9
238.13484	0.7
239.14314	1.6
241.15839	1.1
247.13260	4.6
249.16393	0.2
251.14282	0.4
252.15042	0.4
253.15871	1.8
253.19527	0.4
255.21014	0.3
263.18259	0.3
267.17545	0.7
273.14859	0.8
281.19144	0.6
283.10159	0.5
283.13257	7.6
283.16257	0.5
287.16473	1.1
295.17087	0.3
297.14828	0.8
299.16513	0.3
313.17990	1.7
323.23633	0.3
361.25229	3.1
391.30157	2.0
405.31522	0.8
421.27365	3.3
433.30936	0.8
436.30078	0.4
451.32053	100.0
452.32385	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	451.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66432	0.2
53.37378	0.3
55.01861	0.3
61.02914	0.4
65.03921	0.3
67.05470	0.5
69.03419	0.9
69.07059	0.4
69.76622	0.2
70.86383	0.8
71.04974	0.2
73.02877	0.3
73.70066	0.2
79.05491	0.9
80.04996	0.4
81.03387	0.7
81.07055	1.0
83.04976	0.3
85.02910	2.0
85.06552	0.3
87.04453	0.3
91.05483	2.2
93.07027	0.6
94.06552	1.0
95.04978	0.4
95.08580	0.3
96.08102	0.9
97.02902	0.6
97.06581	0.4
101.42240	0.2
103.05442	0.4
104.04974	0.5
105.06969	0.3
106.06577	1.5
107.04950	0.4
107.08541	0.5
108.08104	0.5
109.02856	0.3
109.10119	0.3
117.05714	0.6
118.06499	2.3
119.07335	0.5
120.08099	12.4
121.10131	0.5
122.05988	0.3
122.09617	0.5
123.04424	1.8
124.07584	6.9
126.09132	1.1
127.03881	0.5
133.10034	0.5
134.06012	4.7
135.09193	0.6
135.11723	0.4
136.07567	2.8
137.05981	2.0
138.05490	0.7
138.09143	0.5
139.03870	0.5
145.04964	0.6
146.05971	1.9
147.04393	0.9
147.06793	2.4
148.07564	9.9
150.09157	0.8
152.07063	1.3
153.01807	1.4
159.11667	0.3
161.05952	0.4
163.03918	0.9
164.07057	56.3
165.05672	0.3
165.07632	1.2
166.08675	2.3
172.11136	0.4
175.03928	0.3
176.08554	0.3
177.05493	1.1
177.23886	0.3
200.10712	1.0
202.93221	0.3
214.10995	0.5
215.15430	2.2
216.10219	1.5
221.17043	0.3
226.12181	0.4
228.10274	0.4
229.13347	1.2
243.14894	6.6
243.49092	0.3
245.16475	3.0
253.13356	1.3
254.11623	1.4
271.14398	21.9
272.14758	0.5
273.07578	0.4
289.15451	100.0
290.15778	4.1
299.09094	0.6
301.06973	0.5
305.05719	0.6
451.20712	2.5
452.21997	0.3
455.55569	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20528	0.7
55.01847	0.8
55.25443	0.7
57.03396	2.1
61.02893	1.8
67.05488	0.9
69.03420	5.6
69.07030	1.6
70.06560	1.1
70.76086	2.0
71.04990	5.1
72.05293	1.3
73.02889	1.1
79.05431	0.9
81.03388	1.6
81.07008	2.2
82.62056	0.7
82.78024	0.7
83.04929	1.5
85.02894	14.3
86.03187	1.8
87.04415	2.1
87.48194	0.8
91.05436	2.4
93.07006	1.0
95.04925	1.4
95.08581	1.1
97.02895	4.0
99.04432	1.1
105.06969	2.1
106.54012	0.7
107.04894	2.4
107.08595	0.8
109.02836	2.5
109.06506	1.2
111.04446	0.8
115.05428	0.8
117.06929	0.7
119.04887	1.1
119.08564	1.1
121.06465	2.2
123.04414	9.9
127.03838	2.0
128.06229	1.1
129.06960	2.9
135.04359	1.7
135.08214	0.8
135.09151	4.7
137.05933	7.5
140.10701	1.3
141.06956	2.8
143.04886	2.1
143.08501	2.0
145.02780	0.8
145.04926	1.4
145.06425	3.1
147.00659	0.8
147.04370	3.2
149.05875	1.7
149.13290	0.9
151.03870	1.4
153.01801	10.3
154.02115	2.6
155.02269	2.0
155.08511	4.5
156.09325	1.6
157.06488	7.8
157.10110	1.3
158.07098	0.8
159.07967	0.9
161.05916	0.7
163.03915	3.9
165.05595	1.7
165.06978	2.4
167.08530	2.7
168.09167	1.1
169.06438	3.1
169.10045	2.1
171.02792	2.0
171.08015	4.8
173.05925	1.4
173.09496	1.4
177.05440	14.6
177.38741	0.7
179.07008	1.8
179.08401	1.0
180.05641	1.1
180.09221	1.0
181.05013	1.2
181.06377	3.5
181.10080	2.2
182.07288	0.9
182.10899	6.7
183.08020	6.4
183.11600	1.6
185.05933	2.8
185.09550	2.0
186.10368	1.6
191.08351	0.7
192.09282	2.2
195.08032	2.5
195.11694	1.5
196.08791	1.8
197.06000	3.6
197.09569	2.0
197.13228	13.4
198.06584	1.1
198.10382	1.1
199.07504	5.1
201.09010	2.2
207.06400	1.0
207.11600	4.5
209.09494	1.3
210.10367	5.4
211.07484	6.4
211.11090	2.7
213.12677	4.0
223.11142	2.0
225.12712	47.3
235.11206	3.9
238.09862	1.6
241.12236	8.8
242.12926	1.6
243.11258	1.5
243.13779	30.9
253.12207	68.1
271.13254	100.0
272.13766	2.0
287.05328	1.8
288.05811	1.7
289.07080	7.7
289.14249	19.5
299.13614	1.2
301.07117	1.0
303.05045	3.9
304.05270	4.9
305.05518	11.3
329.10049	2.6
405.18973	1.0
405.48068	0.7
422.68585	0.8
433.18665	5.7
451.19547	55.6
451.32819	1.7
452.19666	1.2
455.27127	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.4
53.03941	0.7
55.01860	0.8
55.05497	0.9
56.23392	0.3
57.03425	0.5
60.08135	0.4
65.03918	0.4
67.05492	2.0
68.99778	1.6
69.03419	0.7
69.07080	1.6
69.53815	0.3
70.06589	2.7
71.04984	1.1
71.21809	0.3
71.60112	0.4
73.02911	0.5
79.05492	2.9
80.05025	0.6
80.28283	0.3
81.03421	1.1
81.07057	3.1
83.04998	0.5
85.02877	1.6
86.09689	1.2
91.05482	2.9
93.05792	0.4
93.07037	1.6
94.06565	1.5
95.04956	1.7
95.08607	1.6
97.02885	0.5
97.06541	0.5
97.63621	0.3
103.05471	1.2
104.04994	1.3
105.03417	0.6
105.04449	0.3
105.07024	1.0
105.95991	0.3
106.06521	0.7
107.04952	3.0
107.07320	0.9
107.08549	0.9
108.08103	2.2
109.02879	0.6
109.06498	1.0
109.10137	1.0
111.04422	0.4
115.21130	0.3
116.98619	0.5
117.07051	0.4
118.06519	0.5
119.04929	3.7
119.06089	0.7
119.08516	0.6
120.06898	1.6
121.06503	3.3
121.10135	0.7
123.04421	22.3
123.09138	0.7
123.11717	0.4
124.99991	0.8
125.09624	0.4
131.04942	1.3
133.10112	0.8
135.04431	4.4
135.09172	44.8
137.02301	0.4
137.05971	4.4
139.03889	0.9
139.85985	0.3
145.10101	0.4
147.04402	13.4
149.05980	8.8
151.03882	0.6
153.01791	1.9
155.61699	0.4
159.04390	1.0
161.05994	1.7
163.03903	1.6
165.05476	8.0
165.09157	0.3
167.07025	0.3
177.05461	100.0
178.05824	1.7
179.07069	0.6
184.07362	3.5
189.05426	1.1
194.76779	0.3
203.06955	0.5
207.06488	1.7
233.04344	0.4
254.18425	0.3
273.07181	0.3
285.07397	0.5
287.05435	0.4
289.14749	0.5
289.18042	0.4
299.09064	1.2
299.13959	6.8
301.06915	0.4
305.05582	0.6
306.29688	0.3
311.09027	0.8
329.10196	23.6
330.10428	0.6
360.90359	0.4
451.18597	42.4
452.18814	1.1
463.17978	0.6
464.19040	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
53.75776	0.3
55.01862	0.7
55.05500	0.6
56.35828	0.3
56.96547	0.9
57.03419	1.1
57.07063	0.4
64.00548	0.3
65.03925	0.3
66.52360	0.3
67.05508	2.0
68.99779	1.9
69.03420	0.5
69.07055	0.6
71.01326	0.3
71.04992	3.9
71.60020	0.5
79.05490	2.5
80.04987	0.6
81.03407	1.4
81.07048	3.9
83.04954	0.5
85.02904	5.1
85.06554	0.4
91.05477	3.7
93.05766	0.4
93.07026	2.0
94.06551	1.0
95.04967	1.6
95.08584	1.7
97.02888	0.9
97.06496	0.4
103.05442	1.4
104.04993	1.3
105.07005	1.2
106.06552	0.8
107.04958	2.5
107.07349	0.7
107.08578	1.0
108.04453	1.0
108.08101	1.8
109.02856	1.1
109.04867	0.4
109.06513	1.0
109.10146	0.9
114.19263	0.3
119.04933	4.8
119.06069	0.7
119.08544	0.5
120.06834	2.0
121.02856	1.0
121.06488	3.5
121.10139	0.8
123.04419	21.4
123.09193	1.1
123.11674	0.5
125.02312	0.5
127.03874	0.5
129.05458	0.9
131.04893	0.6
133.10097	0.7
134.43880	0.3
135.04404	3.8
135.09169	48.5
135.11655	1.1
137.02324	0.5
137.05980	2.5
137.22789	0.3
139.03903	0.9
143.03378	1.0
147.04398	14.8
147.11655	0.5
149.05972	8.0
149.07112	0.6
149.13213	0.6
151.03853	0.8
153.01820	9.0
153.02811	0.3
154.02080	0.3
159.04454	1.4
161.05998	1.2
161.13245	0.6
163.03889	1.2
163.14812	0.4
165.05461	7.7
167.07060	0.4
177.05457	100.0
178.05785	1.0
179.03452	0.3
179.06984	0.5
189.00618	0.4
189.05469	1.1
201.05684	0.3
207.06529	2.0
217.19547	0.6
217.87733	0.3
222.04855	0.4
225.12766	0.6
235.20633	0.5
241.12173	0.3
253.21609	0.8
271.22672	1.1
273.07489	0.6
275.01877	0.9
277.03503	0.5
283.23666	0.3
287.05438	2.7
289.14389	1.3
292.51706	0.3
299.13901	7.4
303.01584	0.6
303.04922	0.7
304.05182	0.8
304.99591	0.5
305.05670	1.5
311.09091	1.0
323.00787	0.4
324.99939	0.4
329.10187	22.9
361.02258	4.2
376.98242	0.8
379.03345	2.1
384.03915	0.5
394.99173	1.9
395.99515	0.4
451.18640	47.3
452.18884	1.2
471.44711	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
53.03936	0.8
57.03432	0.5
68.99797	0.3
69.03433	2.5
70.04156	1.6
71.05007	0.4
72.08152	0.8
73.02894	0.4
79.01855	2.3
81.03405	4.4
84.57977	0.3
85.02902	5.3
97.02888	3.4
99.04429	0.8
101.06020	0.5
107.01321	1.8
109.02864	4.9
111.04414	0.5
123.04425	2.9
125.02357	3.6
127.03916	6.9
135.04381	1.8
139.03897	3.0
143.03392	5.0
145.04909	0.9
147.04408	1.3
151.03964	0.9
151.07521	1.2
153.01823	100.0
154.02164	1.2
163.03912	1.4
169.06383	0.3
171.02882	10.7
187.03973	0.4
255.06650	0.3
271.05988	0.5
279.05011	0.6
287.05350	0.4
289.06793	1.4
297.06003	3.0
301.06628	0.5
315.07062	14.0
316.07443	0.5
451.10617	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
52.72919	0.1
53.04872	0.1
55.01859	0.2
56.91549	0.1
59.06104	0.1
60.04517	0.1
62.55301	0.1
67.05481	0.1
68.99780	0.3
69.03411	0.2
69.67561	0.7
72.08129	0.5
76.55077	0.1
79.01851	0.1
81.03423	0.3
84.08092	0.1
85.02879	0.1
85.07645	0.2
86.06043	0.1
87.09207	0.3
89.07124	0.3
89.10770	0.5
93.07014	0.2
98.20757	0.2
98.21387	0.2
109.02863	0.2
111.00878	0.1
115.05431	0.2
121.02897	0.2
121.06480	0.2
123.04419	0.2
123.08063	0.1
127.03900	0.2
137.02342	2.1
137.03386	0.2
139.03868	0.2
139.05447	0.1
141.07007	0.2
143.04906	0.2
147.04350	0.3
149.02338	0.5
149.05942	0.2
150.03180	0.1
153.01839	1.5
154.02173	0.3
157.06491	0.4
161.05948	0.4
163.03964	0.2
165.01825	0.2
167.07054	1.4
169.06543	0.1
171.04384	0.2
175.03963	0.2
175.07564	0.3
177.01869	0.2
183.06485	0.1
185.05949	0.8
189.05438	0.5
193.04959	0.2
199.03798	0.3
199.09642	1.2
213.05434	1.8
216.04147	0.2
217.04915	0.2
231.06451	0.7
234.14555	0.1
241.04973	1.2
242.05656	0.2
258.05334	0.2
259.06088	0.2
269.04459	0.5
286.04437	0.1
287.05484	100.0
288.05817	3.1
421.03528	0.1
449.10806	2.2
449.16296	0.3
450.10971	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.6
55.01860	3.4
55.05506	19.0
57.03431	12.8
57.07064	5.4
59.79647	1.9
65.03924	2.9
67.05495	76.6
69.07059	26.8
70.06510	3.3
70.06932	6.0
71.01334	4.6
71.04981	12.9
79.05486	65.4
81.03402	5.1
81.07049	77.3
83.04977	14.9
83.08607	14.1
85.02898	6.3
85.06519	7.5
91.05467	35.6
93.07032	74.2
93.84839	1.7
95.04956	13.8
95.08593	24.8
97.06510	13.4
97.10152	8.0
97.81046	1.6
98.21322	2.4
99.08051	3.4
101.23368	1.7
105.07003	11.9
107.04938	3.1
107.08578	48.2
109.06483	5.5
109.10118	9.0
111.08060	7.0
117.06996	12.0
119.08560	9.5
119.68112	1.5
121.06441	3.0
121.10120	22.1
123.08015	2.6
123.11684	2.0
125.05971	2.7
125.09607	3.3
126.84061	1.6
131.08569	9.2
133.10115	7.2
135.07986	3.3
135.11673	41.5
135.12692	2.2
137.09636	2.2
137.13144	1.8
139.11147	2.2
143.08469	3.0
145.10100	9.5
147.11693	4.1
149.09633	2.7
149.13235	28.3
152.19559	1.7
153.01788	1.9
153.12689	2.4
157.10118	2.5
159.11716	13.3
161.06084	1.7
161.13260	1.8
163.11162	6.4
177.12741	6.3
181.12257	9.4
185.13235	2.6
195.13780	12.6
197.13210	1.6
199.13213	2.8
211.14696	2.6
213.14903	3.0
249.18715	2.7
287.05481	8.2
297.73621	1.8
303.04886	15.6
304.05219	1.7
342.12372	2.1
431.27487	2.5
449.28958	100.0
450.28915	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	449.1078
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
65.80604	0.1
67.01861	0.5
67.87090	0.1
68.99800	0.3
69.47566	0.2
69.47991	0.5
71.04977	0.1
85.02878	0.3
89.03885	0.1
117.03386	0.1
125.02336	0.1
129.01813	0.1
134.60472	0.1
135.04414	1.4
137.02341	0.4
153.01819	4.9
161.02307	0.4
171.02870	0.6
179.03380	0.2
185.05891	0.1
203.03441	0.1
213.05443	0.1
221.04329	0.1
241.04860	0.4
269.04407	0.3
286.04742	0.1
287.05472	100.0
288.05814	2.3
303.04883	0.4
350.61780	0.1
350.92258	0.1
380.81274	0.1
449.10748	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1074
Annotation	Quercetin-3-Rhamnoside
Peak:m/z	Relative Intensity
57.03434	3.5
58.10125	0.6
59.66477	0.5
69.79028	4.0
71.04986	27.5
75.04459	0.7
85.02898	25.9
89.34713	0.5
91.18869	0.6
98.21128	1.8
111.00766	0.6
113.46609	0.5
129.05473	7.3
137.02399	2.8
137.03288	0.7
141.37424	0.6
147.06532	1.9
153.01851	3.3
161.05956	0.6
163.03963	0.8
165.01843	1.6
183.02939	0.6
201.05482	1.5
205.76210	0.5
229.04901	3.4
257.04398	2.1
258.43890	0.6
285.03925	1.0
287.05603	0.8
303.04971	100.0
304.05304	1.7
345.05771	0.6
357.09448	0.6
415.06552	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03948	0.4
55.01865	0.5
57.03435	0.7
58.23146	0.1
61.02920	1.5
65.03921	0.1
68.99789	0.7
69.03424	3.0
70.66750	0.2
71.04977	0.4
73.02905	0.5
73.70941	0.1
79.05485	0.2
81.03416	1.5
83.01337	0.2
85.02901	9.2
86.03199	0.1
87.04459	0.4
91.03958	0.5
95.04971	0.1
97.02275	0.2
97.02888	3.1
97.66180	0.1
99.04469	0.6
103.03981	0.1
103.05447	0.1
105.03394	0.3
107.04932	0.3
109.02877	1.1
111.00802	0.7
111.04423	0.1
114.31161	0.1
117.07008	0.1
119.08573	0.2
120.08916	0.1
121.01980	0.2
121.02860	3.0
123.04452	0.2
127.03899	1.7
128.06354	0.1
129.06990	0.2
133.02818	0.5
135.04408	0.2
137.02327	0.9
143.03363	0.1
145.04947	1.7
145.06479	0.3
147.04417	0.7
151.03885	0.1
153.01819	5.4
157.06453	0.4
161.05971	0.1
163.03867	0.1
165.01833	1.8
169.06595	0.1
171.02962	0.1
171.04433	0.2
175.03862	0.1
183.02881	0.9
185.05876	0.4
203.03386	0.1
203.07068	0.2
213.05455	1.5
229.04929	0.2
231.06483	0.7
241.04944	0.9
245.04485	0.1
258.05228	1.3
259.06012	0.6
269.04416	0.2
287.05478	100.0
288.05820	2.4
299.05484	0.3
303.04953	0.1
329.06497	0.3
339.25284	0.1
353.06589	0.1
380.63870	0.1
449.10776	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03942	0.6
55.01849	0.7
55.93169	0.3
57.03431	0.6
61.02933	1.6
68.99767	0.6
69.03420	3.7
70.06578	0.3
71.04962	0.6
71.38569	0.6
73.02911	0.7
79.01839	0.5
79.05468	0.4
81.03402	1.8
81.07040	0.3
83.01315	0.3
85.02897	9.4
91.03950	0.5
97.02892	2.6
99.04459	0.5
105.03419	0.5
107.04925	0.5
109.02861	1.2
111.00784	0.5
113.53071	0.3
121.02843	2.9
123.04404	1.0
124.04777	0.5
127.03922	1.9
130.08551	0.3
133.02905	0.4
136.07553	1.0
137.02350	1.2
139.03850	0.3
143.03348	0.9
145.04951	1.7
145.06467	0.3
147.04411	0.6
152.07010	0.4
153.01819	11.5
157.06462	0.5
164.07014	1.0
165.01863	1.6
167.07001	0.4
182.97867	0.3
183.02866	1.1
185.05975	0.7
213.05479	1.2
231.06575	0.7
241.04825	0.9
241.49911	0.3
243.06407	0.4
258.05222	1.4
287.05484	100.0
288.05722	2.4
299.05203	0.4
303.05011	2.1
415.29565	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.7
57.07072	6.2
58.06596	1.8
61.88422	0.8
67.05488	2.4
69.07062	1.3
69.33717	7.9
70.06586	14.9
70.81497	0.8
71.05005	1.2
71.08614	1.8
77.77707	0.7
79.05462	1.1
81.07046	2.4
85.02901	0.9
86.00504	0.7
88.07630	18.8
91.05484	2.2
92.56942	0.7
93.07027	2.1
95.08584	1.3
98.08498	0.7
102.09178	12.7
104.02633	1.1
105.07040	1.1
107.08582	1.2
109.10171	0.7
119.04914	2.0
119.08556	1.2
121.10112	1.0
132.02074	6.5
134.62558	0.7
135.11630	1.1
136.01546	5.4
144.95705	0.8
147.04396	22.5
148.05124	1.7
149.02353	1.1
175.03906	38.9
176.04480	1.2
180.04179	7.7
191.07019	2.6
193.04970	1.1
193.08662	0.9
211.16527	0.7
219.06517	66.5
220.06903	2.1
232.60034	0.8
256.26337	39.7
257.26727	1.4
272.86633	0.7
287.05493	1.3
303.05032	2.5
425.17856	0.8
448.30563	100.0
449.30948	7.1
457.98059	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.7
55.05509	12.5
56.05035	14.3
56.81305	1.4
57.03416	3.6
57.07066	2.2
57.46801	1.4
58.06612	10.8
58.06855	2.6
59.04987	1.7
61.02899	3.1
62.25378	1.5
67.05482	5.7
69.03420	15.7
69.07056	4.5
70.06577	6.6
70.51325	1.5
71.04991	3.2
72.04507	1.8
73.02910	2.5
74.06066	5.4
79.05483	6.0
81.03429	8.8
81.07053	12.9
82.06567	5.6
83.04985	7.8
83.08620	11.4
84.04480	4.3
84.08134	5.2
85.02908	21.4
85.06531	4.4
86.06054	4.8
87.04453	5.3
91.05466	4.0
91.09359	1.6
93.07035	8.5
94.06543	2.4
95.04976	5.4
95.08607	9.6
96.08109	4.3
97.02316	2.4
97.02866	13.4
97.06486	3.3
97.10133	1.9
98.06051	4.4
98.09695	12.6
99.04451	10.8
100.07607	9.6
104.07016	1.8
105.07040	10.6
105.07659	1.6
107.08589	19.4
108.08105	6.9
109.02876	4.5
109.06522	13.7
109.10147	10.8
110.06044	6.7
110.09663	3.7
111.04419	3.8
111.08088	3.4
112.07606	4.3
113.02335	2.0
114.05520	5.2
119.08569	9.9
121.06477	2.8
121.10138	20.0
122.06010	2.9
122.09660	4.5
123.04446	4.8
123.08050	9.4
123.11668	6.2
124.07582	5.1
124.11233	5.7
125.06020	2.2
125.09605	10.9
126.05463	3.8
126.09197	3.6
127.03893	10.5
128.07066	2.1
131.08542	5.3
133.10127	7.1
135.08040	5.6
135.11667	3.0
136.07611	3.3
137.02299	1.9
137.09625	4.4
138.05502	3.1
138.09091	2.3
139.03873	3.3
140.07089	2.0
142.08636	5.2
143.03458	1.9
145.05000	2.4
145.10150	4.8
147.04393	4.0
147.11697	8.1
148.11136	3.9
149.09607	11.2
151.03825	2.5
151.11137	10.3
153.01833	22.7
153.05479	1.8
153.09103	2.6
154.08586	4.0
157.04948	2.7
157.10132	3.0
159.11685	4.6
161.13281	3.9
162.45193	1.6
163.11183	2.8
163.14841	2.1
164.10632	2.0
164.14355	5.6
165.12708	4.2
167.10748	2.9
167.14337	8.6
168.06366	1.8
171.02843	1.8
171.11732	1.9
173.13260	4.4
174.12798	3.2
175.11194	5.1
176.10854	1.8
177.05461	3.6
177.09146	2.8
178.03204	2.4
181.12296	2.3
186.07567	4.9
187.05833	4.0
189.12737	4.9
190.15958	2.2
191.14371	5.4
192.13828	4.7
193.12216	5.6
195.13826	2.2
198.14915	1.7
204.08662	23.3
206.10252	1.9
206.15390	3.4
207.13744	6.7
209.15385	17.9
211.13274	3.0
222.09729	21.9
224.16531	3.1
225.14856	6.9
232.16968	9.1
233.15344	3.7
250.15305	1.8
250.15837	0.9
250.18024	50.8
251.16371	16.0
268.19058	84.6
277.03409	2.0
278.03824	1.8
286.07346	1.8
286.20050	12.6
287.05469	25.6
296.11209	5.9
303.01511	1.9
304.01630	3.1
334.96729	1.9
335.93549	1.8
371.50525	1.5
396.30945	1.6
412.23218	3.5
413.21869	2.1
430.24411	29.0
431.23129	2.2
448.16031	9.6
448.25388	100.0
449.25558	3.4
474.01556	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.3
54.23523	1.3
55.01858	3.0
55.05505	3.3
57.03425	2.3
57.07067	1.3
61.02916	1.6
67.05503	12.5
69.03078	2.8
69.03428	36.8
69.07069	2.5
71.04978	4.7
71.10480	3.2
79.01839	1.9
79.05476	7.3
81.03413	4.4
81.07051	44.5
83.04955	7.5
83.08618	1.7
85.02908	10.6
85.06503	2.7
87.04456	3.3
91.05464	6.3
93.07036	12.4
95.04937	4.5
95.08604	16.9
97.02890	2.1
97.06499	3.1
97.10162	1.6
99.04437	2.8
105.07019	14.8
107.04951	1.6
107.08582	11.3
109.06489	3.9
109.10159	9.4
111.04417	2.0
111.08075	2.1
115.03911	6.5
117.07028	3.5
119.04910	1.5
119.08573	10.5
121.06490	2.7
121.10148	7.5
123.04443	6.7
123.08049	1.7
123.11700	100.0
127.03923	7.3
129.05469	59.9
131.08556	8.0
133.10117	14.7
133.72568	1.6
135.11699	4.7
137.05946	2.1
139.03876	2.6
141.12747	4.7
143.03448	1.9
143.07037	7.5
143.08514	1.5
145.10104	13.5
147.04413	4.0
147.11681	15.6
149.13235	6.5
151.11195	2.0
153.01816	26.1
155.07051	1.5
159.11714	7.7
161.09547	2.8
161.13240	31.7
163.11223	1.5
165.12762	4.3
171.11681	3.5
173.13264	16.0
181.04939	1.5
189.12761	10.6
191.14290	4.1
195.13741	1.4
201.12793	6.0
207.13828	7.0
211.13321	1.6
219.13768	12.4
221.15411	9.0
225.14975	3.0
233.15315	4.3
236.62361	1.4
237.12558	2.3
237.14848	29.5
239.16406	26.5
251.16385	16.1
269.17468	52.8
269.20560	2.6
270.17773	2.1
287.05429	6.0
303.04938	17.2
391.01245	2.3
406.03613	3.8
429.05328	3.6
444.07666	1.7
448.26907	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	448.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
55.05502	7.7
56.05025	9.9
57.03425	2.4
57.07069	2.2
58.06596	14.0
59.04988	2.2
60.04506	3.2
61.02914	4.2
62.58064	1.1
63.13388	1.1
65.03947	1.2
67.05498	8.3
69.03422	15.1
69.07056	2.4
70.06583	3.5
70.96609	3.0
71.04984	6.2
71.77175	1.2
72.04510	1.8
73.02904	3.6
74.06071	4.1
76.07635	2.5
79.05484	7.0
81.03424	6.0
81.07043	11.1
82.06570	4.6
83.04973	7.0
83.08617	7.3
84.04507	3.5
84.08134	5.4
85.02899	21.6
85.06539	1.6
86.06058	4.6
91.05475	5.0
93.07027	10.1
94.06558	2.6
95.04962	9.4
95.08602	8.5
96.04488	1.6
96.08134	5.7
96.28172	1.1
97.02888	11.0
97.06525	4.7
98.06045	3.8
98.09690	5.3
99.04448	13.0
100.07619	2.6
102.05506	2.0
105.07018	12.4
107.08582	13.6
108.08098	7.2
109.02868	4.3
109.06507	10.1
109.10136	11.8
110.06026	6.3
110.09680	3.2
111.04450	2.0
111.08076	2.0
113.02375	1.5
113.05991	2.0
114.05524	2.9
115.03927	1.3
117.07066	1.7
119.04913	1.2
119.08579	9.6
121.06495	1.2
121.10126	14.3
122.06038	3.9
122.09657	4.3
123.04403	2.1
123.08038	9.0
123.11693	4.6
124.07572	4.1
124.11238	4.0
125.09641	4.8
126.05495	4.3
126.09141	2.7
127.03934	7.2
127.07534	1.2
131.08542	5.6
133.10100	12.6
134.09549	1.4
135.08041	3.1
135.11717	3.0
136.07573	1.7
136.11218	1.6
137.02380	2.0
137.09636	3.1
139.03902	3.2
139.11130	1.2
140.07043	1.8
142.08627	1.4
144.06551	1.9
145.04970	3.3
145.09038	1.3
145.10117	4.9
147.11685	6.5
148.11186	3.6
149.09572	6.9
149.10614	1.1
149.13268	3.3
150.09137	1.9
151.11198	5.4
153.01833	13.3
153.09102	1.2
154.08690	1.5
157.04939	5.4
157.10110	2.8
158.08115	2.1
158.10889	1.6
159.11774	1.9
161.13249	3.1
162.12793	3.1
163.11185	3.3
163.14784	1.4
164.14290	1.7
165.12772	3.2
166.08743	1.3
167.10670	2.0
167.14320	2.6
168.10194	2.6
169.05060	1.3
169.08627	1.4
171.02850	1.9
171.11609	1.7
173.13266	7.1
174.12752	2.2
175.11200	3.3
186.07625	6.4
187.06027	4.0
187.14806	1.1
189.12735	2.7
191.14307	9.4
192.13837	2.3
193.12233	3.0
204.08676	26.6
206.10391	1.3
206.15405	2.1
207.13799	5.8
208.17001	1.6
209.15353	12.6
222.09746	4.3
224.16472	1.5
225.14856	4.9
232.16942	9.2
233.15424	3.2
250.15486	0.7
250.18011	29.8
251.16386	6.9
252.19626	3.4
268.19049	35.9
269.17300	1.5
270.20676	1.3
286.20084	22.7
287.05435	11.7
315.07089	1.8
350.08234	1.3
350.12177	1.3
412.23392	3.4
430.24362	37.9
448.25406	100.0
449.25992	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	448.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.01866	0.4
56.05012	0.4
58.06590	0.5
67.05497	0.4
68.99769	0.6
69.03430	1.8
70.06534	0.4
71.04978	0.5
71.59879	0.3
73.02903	0.3
75.81561	0.3
79.05472	0.5
81.03419	1.6
82.84884	0.3
85.02895	2.1
89.95388	0.4
91.05809	0.5
95.04962	0.7
97.02880	1.4
99.04458	0.7
105.06978	0.5
107.08615	0.4
109.02872	1.6
121.02864	2.1
122.06009	0.5
123.04409	4.3
127.03916	1.7
130.04979	0.4
135.04662	0.4
137.02327	2.4
137.05945	0.7
138.05493	1.5
139.03903	1.1
140.04637	0.8
143.03391	0.8
145.06464	0.4
147.04396	0.9
149.02313	0.5
151.03932	0.6
153.01816	12.4
163.03882	0.5
163.07579	0.4
165.05379	0.5
167.07014	0.7
168.04169	0.6
171.02855	1.1
171.04297	0.4
175.07405	0.4
183.06509	18.8
184.06841	0.5
185.05925	0.6
189.05472	0.5
191.06932	0.5
204.08624	0.5
206.10237	0.6
207.06448	0.5
209.04417	0.9
213.05446	1.8
223.06122	0.4
225.07518	4.5
231.06630	0.6
241.04915	1.3
243.08601	5.1
250.18053	0.5
251.05365	0.5
260.02676	0.4
268.11664	0.4
268.18954	0.7
269.06723	0.7
286.09482	0.6
286.12881	0.6
287.05472	100.0
297.06155	0.9
303.01352	2.0
303.08615	0.4
304.01605	3.3
315.07047	1.5
448.09982	0.7
448.15985	0.7
448.25281	1.0
449.11130	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3831
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
55.05510	50.0
57.07073	67.3
67.05495	7.2
69.07064	96.9
71.08630	52.9
71.38087	6.4
81.07059	14.1
82.98935	4.0
83.04903	4.1
83.08608	67.7
85.10172	29.4
85.57091	3.3
93.07072	5.8
95.08595	11.7
97.10164	60.8
105.07003	4.5
107.08612	14.3
109.10144	7.5
111.11722	47.1
121.06537	6.1
125.13269	13.1
135.08028	19.8
137.09628	11.1
139.07504	18.2
139.14856	6.1
148.53223	4.0
149.02344	3.9
149.09593	12.5
151.07558	15.6
153.09071	7.7
163.07524	8.7
163.11215	6.5
165.09105	84.1
166.09529	3.6
167.07028	3.8
169.08626	7.1
177.09084	10.4
179.10609	3.5
181.08560	34.7
191.10678	9.4
195.74736	4.1
205.12111	7.8
208.38223	3.6
314.71741	4.0
343.30017	4.2
429.37195	32.0
447.38321	100.0
448.38654	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	447.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.4
55.01862	5.2
55.05508	21.2
56.96550	2.6
57.03434	6.9
57.07058	1.3
61.02920	1.5
65.03928	2.3
67.05502	42.0
69.03418	4.9
69.07061	11.1
69.78957	0.8
70.53374	3.1
71.01350	1.3
71.04984	3.5
73.02928	1.4
79.05486	38.8
81.03413	38.9
81.06576	1.5
81.07050	29.0
83.04984	9.1
83.08611	12.3
85.02905	3.0
85.06539	3.4
87.55185	0.8
91.03936	1.2
91.05469	33.9
93.06467	1.8
93.07039	32.0
94.07406	1.0
95.04964	28.9
95.07988	0.8
95.08596	14.6
97.02892	3.3
97.06528	7.4
97.10161	12.8
99.08135	0.9
103.05446	1.7
105.06285	1.3
105.07014	23.6
107.04948	9.7
107.08585	20.6
109.02880	0.9
109.06503	5.3
109.10142	7.0
111.04449	1.9
111.08057	5.0
115.05470	2.3
117.07022	10.8
119.04918	3.9
119.07778	1.4
119.08574	16.6
121.06496	9.4
121.10144	8.1
123.04416	2.1
123.08044	3.5
123.11741	1.6
125.05956	1.2
125.09608	7.9
128.06227	2.6
129.06999	11.9
130.07764	1.2
131.04956	2.7
131.08549	13.5
133.06482	5.6
133.10127	9.7
135.08047	3.8
135.11678	18.9
137.09624	2.9
137.73073	0.7
139.03906	1.2
141.06975	2.5
142.07764	2.7
143.08556	7.4
145.06450	8.0
145.10091	10.8
147.04323	0.9
147.08069	4.7
147.11700	6.3
149.02388	1.1
149.09656	5.6
149.13191	1.1
151.07533	1.4
151.11221	1.5
153.09048	1.1
153.12772	1.1
155.08575	4.0
157.06447	1.9
157.10106	8.6
159.08098	4.0
159.11652	4.5
161.09583	2.0
161.13307	1.4
163.11162	7.3
165.06981	0.8
165.09187	0.9
165.12704	0.8
167.07121	1.0
167.08517	1.8
168.09311	0.8
169.08743	1.1
169.10124	4.2
171.08063	1.2
171.11656	2.5
173.09605	1.8
173.11800	1.0
173.13284	1.9
175.11198	6.9
175.14819	1.4
177.12791	1.1
181.10109	1.6
181.12253	2.9
183.11674	4.0
185.09631	1.6
185.13257	6.2
187.11217	3.4
187.14822	1.2
189.11244	4.7
189.12680	1.0
191.14362	0.9
193.10437	1.1
193.12230	15.4
195.11702	1.5
195.61041	0.8
197.13289	1.5
199.11220	1.4
199.14902	1.5
201.12653	1.9
203.10628	1.4
203.14241	4.5
205.12193	1.5
209.13260	1.9
211.11353	1.4
211.13113	1.1
213.12874	1.4
215.14342	0.8
221.13324	1.1
223.13332	1.3
225.12755	1.6
227.12653	1.2
229.12221	1.2
231.13812	1.9
243.13858	1.7
249.14819	2.2
257.15353	2.4
259.16910	1.2
261.14929	1.0
267.15909	1.6
269.10706	2.1
285.10098	1.8
287.11530	1.0
309.22202	1.2
316.11880	1.3
327.23087	2.4
329.21063	3.9
337.21655	5.4
347.22440	1.3
355.22653	16.3
373.23758	7.5
391.24506	1.3
403.24686	5.3
411.24918	1.2
429.25949	15.9
447.27390	100.0
448.27838	3.2
464.48914	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02895	0.2
67.05498	0.6
69.07070	0.4
71.11919	0.4
79.05487	0.3
79.64511	0.2
81.03423	0.6
81.07040	0.8
83.08591	0.2
85.02904	0.3
91.05464	0.7
93.07023	0.7
95.04976	0.5
95.08614	0.5
105.07018	0.4
107.08575	0.2
109.10154	0.3
111.04444	0.2
117.07084	0.2
119.08575	0.5
121.10126	0.3
129.06996	0.2
131.08517	0.3
135.11679	0.4
142.04050	0.2
143.08623	0.2
145.10091	0.4
149.02374	0.3
149.13240	0.2
157.10060	0.2
159.11771	0.2
177.31216	0.2
181.12163	0.2
193.12306	0.3
230.07996	0.2
285.17224	0.5
285.20322	6.0
429.25601	0.3
429.30725	0.2
447.25638	100.0
448.26028	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2202
Annotation	Trp Glu Ile
Peak:m/z	Relative Intensity
53.03944	0.3
55.05500	0.6
56.96547	0.4
57.83584	0.2
61.02915	0.7
65.31371	0.3
67.05499	1.0
68.99825	0.3
69.03429	0.7
69.07076	0.3
70.61352	0.3
71.04999	0.3
71.60791	0.4
73.02918	0.7
79.05476	1.0
81.03400	1.0
81.07052	1.5
83.04999	0.4
83.08632	0.4
85.02901	1.1
85.06547	0.5
86.09728	0.3
91.03979	0.3
91.05424	1.3
93.07040	0.9
95.04956	0.6
95.08601	0.8
97.02877	0.7
98.97654	0.2
104.24321	0.2
105.07034	1.2
107.04945	0.8
107.08617	1.2
108.95848	0.2
109.02873	0.5
109.06519	0.3
109.10156	0.6
114.42184	0.3
119.04961	1.9
119.08557	1.1
121.10135	1.0
123.04420	1.7
123.11729	0.6
127.03915	0.7
131.08571	0.3
133.10204	0.6
135.04332	0.4
135.08046	0.4
135.11722	0.6
137.05992	0.4
145.06519	0.4
145.10202	0.5
147.04405	5.5
147.08047	0.3
147.11673	0.8
149.02310	0.3
149.09555	0.3
151.03900	0.4
153.01831	2.1
157.10065	0.5
161.13297	0.3
163.03905	0.6
163.07515	0.4
165.12793	0.3
175.14839	0.5
175.68459	0.3
180.07799	0.8
195.10143	1.0
203.03711	0.4
213.05557	0.4
217.04897	0.3
241.04947	0.3
241.07460	0.3
259.08527	0.5
265.07126	0.3
267.09048	0.4
269.04477	0.6
269.13968	0.4
271.06064	0.3
275.07397	0.3
277.09207	0.3
285.04019	0.4
285.07401	0.5
285.10190	0.8
285.17035	0.7
286.04770	0.6
296.03064	0.3
297.03830	1.3
298.04343	0.3
303.01245	0.4
313.03448	2.0
314.04337	0.8
315.17755	1.1
323.09192	0.3
324.11560	0.5
325.03534	0.4
329.03067	0.8
333.36292	0.3
341.06625	0.4
343.04498	9.9
344.04950	0.8
347.05508	0.4
369.05939	0.5
385.05460	0.4
393.06067	3.0
411.07288	1.1
447.09442	3.2
447.22003	100.0
448.22479	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	447.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.7
67.05495	4.1
67.83555	1.0
69.03422	1.7
70.24279	2.4
70.24671	2.5
70.42507	1.0
73.69753	0.9
79.05489	2.9
81.03431	1.7
81.07037	2.6
83.08601	1.2
91.05477	3.6
93.07039	3.7
95.04944	1.3
95.08570	1.3
105.07024	3.3
107.04941	1.4
107.08552	1.8
109.76515	1.0
117.07017	1.1
119.08558	2.7
121.06540	1.4
121.10113	2.3
123.04433	1.2
123.08062	1.4
131.08580	2.6
133.10138	1.5
136.05173	3.5
137.05978	1.5
143.08583	1.0
145.06430	2.2
148.05174	3.3
151.03859	1.9
157.10103	1.4
157.88368	1.0
159.07961	2.4
161.05928	2.6
165.05476	2.0
166.06247	13.8
167.07022	1.1
175.07564	1.6
176.08344	1.9
181.08585	47.8
182.08913	1.3
187.07555	3.9
188.08302	7.8
189.05479	2.6
189.09090	1.2
191.06990	1.3
195.06580	2.2
195.10095	1.2
198.06685	1.2
201.05453	1.5
202.09842	5.2
203.07010	2.1
204.07852	7.8
207.10240	1.2
209.08051	1.7
211.09654	1.2
219.10150	17.8
221.08141	3.1
231.10159	11.5
233.11671	4.3
239.07123	2.0
240.07764	1.9
241.08664	5.6
249.11336	1.4
254.09261	2.1
257.08109	2.5
261.11234	5.8
269.08182	9.2
270.08749	1.0
271.09653	3.7
284.10455	20.2
285.07565	9.1
285.10883	1.7
291.10019	2.6
293.11713	1.4
295.05679	1.0
297.07706	2.5
299.09113	4.5
299.20862	1.1
300.09943	12.9
304.10919	1.3
305.11789	2.3
306.12299	2.1
307.09790	2.5
312.09973	5.3
313.07385	1.6
313.10516	5.0
314.11472	2.8
315.12262	10.1
321.11124	2.8
322.11920	1.9
323.08954	1.4
325.10626	2.5
328.09515	2.3
328.12985	4.2
329.10352	1.2
331.51331	1.1
334.11743	1.5
337.14282	2.9
341.10251	3.1
343.11743	31.6
344.12457	2.0
349.14215	2.5
350.11218	1.2
353.13812	2.8
355.11655	1.7
358.14084	100.0
359.14529	6.2
365.13828	7.9
368.16190	1.7
369.13177	1.2
371.14859	8.3
379.15375	2.1
380.16153	13.7
381.13275	3.5
384.15326	1.4
396.15561	2.3
399.18027	2.5
411.17953	17.7
429.19061	9.5
429.25180	1.4
447.27451	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.05495	4.9
56.96552	1.9
57.03431	1.5
61.02906	2.1
62.09566	1.2
67.05501	6.7
69.03419	3.2
69.07053	5.2
71.05017	1.5
71.60481	1.6
77.85577	1.2
79.05481	12.2
80.04993	2.7
81.03403	4.5
81.05782	4.8
81.07057	15.2
83.04970	5.5
83.08598	3.1
83.98553	1.4
84.88957	1.1
85.02868	4.1
85.06516	2.0
91.05395	6.4
93.07034	10.2
95.04960	5.6
95.08604	9.5
96.08128	13.8
97.02882	2.1
97.06520	1.9
97.10166	2.5
99.04484	1.2
103.05455	2.7
105.07017	8.6
106.06553	2.1
107.04937	2.5
107.08596	9.8
109.02892	1.9
109.06516	2.7
109.10123	7.5
111.04430	1.4
111.08028	1.7
117.06998	1.9
118.06507	9.7
119.07322	18.0
119.08575	5.1
120.04458	1.2
120.08105	34.5
121.06458	4.0
121.08898	1.6
121.10132	6.0
123.04425	2.4
123.08054	1.8
123.11689	3.9
124.07580	48.4
125.05930	3.0
126.09184	1.6
127.03909	2.7
131.08559	2.9
132.08057	2.9
133.05226	3.6
133.10120	4.7
134.05966	1.4
135.07976	1.7
135.11668	5.2
136.12125	1.3
137.05998	2.2
139.03891	3.6
142.02185	1.3
145.06459	1.8
145.10100	2.5
146.06007	15.2
147.04396	2.1
147.06789	31.4
147.07890	1.7
147.11642	3.1
148.06369	2.3
148.07570	46.6
149.02341	3.1
149.08328	4.3
149.09566	2.4
149.13226	2.7
151.07489	1.9
153.05463	1.9
157.10080	2.8
159.11700	2.3
160.07600	4.7
161.09492	1.6
161.13133	2.6
162.05490	5.1
162.09036	1.5
165.09180	1.4
167.05602	1.7
167.07066	1.7
175.14832	2.1
176.07066	19.9
177.07764	2.3
186.05478	3.6
186.09207	1.6
188.07086	3.7
191.10547	1.6
193.08606	1.5
193.12204	1.4
200.09245	1.3
201.10164	1.6
204.06525	3.8
205.07266	2.0
216.06525	1.5
229.13370	8.1
232.05992	10.0
234.07614	2.7
242.10501	3.0
243.11243	4.1
243.14871	3.3
244.15581	2.2
250.18864	1.9
255.11139	2.3
256.12085	3.7
257.12833	100.0
258.13315	2.3
271.14417	29.6
272.15152	44.8
273.15686	3.1
278.10056	1.5
285.10004	2.0
294.09668	8.6
296.11176	3.8
306.09647	5.0
313.21292	1.3
322.09207	25.3
324.10782	22.8
324.61572	1.4
325.11142	1.2
355.22449	1.9
411.28885	3.8
429.16455	2.2
429.29962	5.0
447.17535	37.2
447.27350	4.5
448.18112	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0921
Annotation	Baicalein 6-glucuronide
Peak:m/z	Relative Intensity
51.87579	0.3
55.01852	0.4
55.05484	0.6
55.12181	0.3
59.04990	0.5
61.02883	1.3
67.01837	0.5
68.51771	0.4
68.99786	1.9
69.03410	0.5
71.04946	0.4
71.51598	0.4
71.51962	0.5
87.04411	0.6
91.69140	0.3
109.02860	0.7
111.00753	1.4
121.02796	0.5
131.04907	0.5
135.04332	0.5
137.02307	0.6
147.04405	1.2
149.02316	1.0
149.05983	0.6
153.01830	10.7
155.04872	0.5
159.04413	0.5
161.02350	0.7
163.03865	0.9
165.01804	0.7
171.04416	0.5
173.05943	0.8
175.03903	1.9
177.01794	0.3
177.05502	0.4
183.04413	0.5
185.05962	1.2
187.03893	1.3
189.01825	1.0
189.05502	0.6
195.04411	0.4
199.03908	1.1
201.05426	0.8
202.02588	0.4
203.03403	5.4
207.02844	1.4
211.03807	0.6
213.05501	2.0
215.03354	0.9
217.04973	0.6
223.02254	0.8
225.05493	0.6
227.03261	0.7
229.04932	2.8
231.06532	0.8
237.05463	0.5
239.03384	1.5
241.04889	2.6
243.02821	3.0
245.04294	0.4
251.06927	0.4
253.05031	1.4
255.02838	4.0
257.04507	1.5
258.05283	1.8
259.06030	2.0
265.04852	0.6
266.05780	0.6
267.06641	1.8
268.03647	1.5
269.04443	3.8
271.02209	0.4
273.03934	4.0
277.04953	0.4
281.04446	1.5
283.02380	2.3
285.03949	3.9
286.04672	5.1
287.05432	1.4
291.06567	0.5
293.04477	0.6
294.05295	0.7
295.06003	3.2
296.03110	3.6
297.03915	14.0
298.04611	1.3
300.02463	0.4
301.03415	3.8
303.05170	0.4
305.04373	1.5
309.07587	0.4
311.02048	0.6
311.05588	1.1
313.03403	26.4
314.04190	8.0
315.04886	2.5
319.06003	0.7
321.04056	0.4
322.04758	1.0
323.05508	2.4
325.03394	2.2
326.03983	0.6
327.05011	1.7
329.02921	9.0
333.03940	0.7
334.30679	0.4
337.07037	1.0
339.05164	1.1
341.02878	0.8
341.06543	7.3
343.04468	100.0
344.04803	2.1
347.05475	3.8
350.04178	0.7
351.04898	4.5
353.02875	3.4
355.04486	0.8
357.06207	0.4
365.06546	1.4
367.04333	1.2
369.06061	7.1
369.10391	0.6
375.04855	0.9
383.07593	0.5
385.05533	3.4
393.06024	39.1
394.06287	0.7
411.07089	21.0
429.08127	2.8
447.09207	33.1
448.09363	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.5
55.01872	3.8
55.05500	2.3
55.89453	1.6
57.03431	2.8
65.97287	1.7
67.05511	3.6
69.03427	17.9
69.07072	2.8
71.04968	1.9
73.02911	8.6
79.05461	5.4
81.03417	16.0
81.07047	7.3
83.04964	3.8
84.08153	1.8
85.02898	3.3
85.06535	2.0
91.05424	3.8
93.07037	7.0
95.04960	5.0
95.08588	5.1
97.02869	6.6
99.04440	3.5
105.07038	6.0
107.04935	3.6
107.08595	3.5
109.02894	13.4
109.06525	2.9
109.10149	1.9
111.08106	1.8
117.03374	1.9
117.06974	2.0
119.04924	3.5
119.08573	4.8
121.02808	2.0
121.06490	2.0
121.10136	3.9
123.04400	3.9
123.08053	4.5
126.68153	1.7
127.03894	9.4
129.06927	2.4
131.08536	2.3
133.06522	2.4
133.10049	2.7
134.86710	1.5
135.08025	2.1
137.02325	2.7
137.05975	2.3
137.09540	1.6
139.03867	2.8
145.02798	2.7
145.10104	2.8
147.04422	7.3
147.08044	2.5
149.02312	4.5
149.05943	2.6
149.09625	2.1
153.01837	11.1
153.06891	2.3
155.08492	2.0
157.06531	2.4
157.10046	2.6
159.08037	3.2
161.05855	2.0
161.09644	2.0
163.03951	2.0
163.11174	1.6
165.01776	2.7
165.06931	4.1
167.03362	1.7
167.08461	2.1
171.11671	1.8
173.02365	2.5
175.03885	2.5
175.07549	2.2
177.05464	7.3
177.09108	2.6
178.05861	2.4
181.06482	5.8
185.06230	2.1
187.03914	2.5
187.07547	1.9
191.03439	2.7
195.11667	1.7
197.09575	2.5
199.11238	1.9
201.01781	6.3
203.03371	6.1
203.10693	5.3
205.04973	1.9
209.05893	4.0
209.09555	3.1
211.11285	1.7
213.05446	2.4
215.03410	4.7
217.01395	2.6
223.11072	3.3
229.01268	6.6
229.04987	4.1
231.02869	6.7
237.05438	9.9
241.04953	2.1
243.02832	3.6
247.02400	7.4
255.06577	3.2
257.00818	16.4
259.02371	14.5
261.03967	5.8
265.04965	6.5
267.23120	2.1
269.04434	3.5
269.11627	2.8
273.00293	2.6
275.01733	14.2
277.03448	5.9
281.04361	2.1
281.15015	2.6
285.00314	11.4
285.11298	2.0
287.01886	3.0
289.03400	33.4
291.13861	2.1
293.04474	4.7
297.03922	3.4
303.01318	100.0
303.04965	62.7
304.01605	3.3
309.14923	5.3
311.05466	5.7
313.03445	4.9
315.01419	15.7
315.04745	2.3
321.03571	7.8
327.15857	5.6
328.99301	21.3
329.06650	1.8
331.00824	59.8
332.01328	1.9
333.02319	5.9
337.03354	3.5
339.01352	3.3
339.04996	12.1
341.02908	5.9
349.03363	4.8
355.04355	6.2
357.05887	4.0
365.02814	5.4
367.04517	29.6
369.16928	2.5
383.03833	5.0
385.05600	7.5
393.02310	7.5
411.03146	8.6
411.94809	1.9
429.04483	20.5
447.05438	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	447.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.3
55.01854	2.4
57.03424	0.7
69.03428	7.2
70.85246	1.1
70.85603	1.5
71.04974	2.4
73.02908	0.7
79.13522	0.7
81.03414	12.5
81.34122	0.7
83.05000	1.0
85.02894	2.9
90.68720	0.7
91.05414	1.0
97.02888	4.9
99.04439	2.7
102.08252	0.8
109.02869	11.9
111.04369	0.8
119.04887	0.9
123.04432	1.0
125.78844	0.8
127.03911	30.1
131.04919	1.3
138.05489	0.7
139.03905	1.0
145.02861	0.8
145.04951	1.4
147.04399	2.7
149.02336	0.9
153.01854	2.4
157.02820	1.2
159.04330	0.7
163.03915	1.3
166.43533	0.6
173.02342	2.4
175.03920	2.0
177.05472	1.6
185.02396	2.0
187.03915	5.1
191.03423	1.6
200.38144	0.9
201.01793	4.2
203.03389	5.0
213.01811	3.8
215.03403	4.9
219.02890	1.3
229.01241	5.1
231.00679	1.3
231.02890	18.8
232.03259	0.8
237.05447	1.6
241.01237	3.4
247.02264	5.6
257.00797	12.2
259.02380	31.9
260.02634	1.0
265.04871	1.3
269.04416	0.8
275.01865	12.1
276.02640	3.0
277.03430	75.1
278.03622	1.6
285.00281	8.0
289.03427	3.9
293.04321	1.0
297.04022	1.1
303.01340	100.0
304.01730	2.9
311.05389	1.3
313.03238	1.8
315.01254	2.5
315.04941	1.9
321.02112	4.4
328.99298	4.2
329.06390	0.9
331.00839	7.8
339.01358	1.4
339.04932	3.2
341.02951	1.1
349.03348	1.2
353.02863	0.9
355.04565	1.3
357.06033	3.0
367.04453	5.7
383.04108	1.3
385.05548	3.9
411.03427	2.4
429.04398	4.3
447.05539	2.9
447.15887	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.2
56.05032	14.7
57.03423	2.3
67.05521	0.7
69.03421	2.1
69.07055	1.4
71.60455	1.1
74.01671	0.7
74.06075	100.0
74.09713	26.1
75.05606	4.6
76.03996	1.1
76.07654	1.0
81.03432	0.7
81.07061	1.7
83.04987	1.1
85.02910	1.0
86.09688	1.6
86.21919	0.8
91.05833	1.2
95.08617	2.6
97.02913	1.3
99.08103	0.7
105.07025	1.0
107.05016	0.7
107.08579	1.6
108.22417	0.6
109.06539	1.2
109.10139	7.3
119.08600	2.5
121.10191	1.3
123.08077	0.7
123.11713	0.9
127.03882	0.7
130.06624	0.7
133.10155	2.7
135.11655	6.3
137.09618	2.0
145.05017	0.7
147.08165	0.7
149.06070	0.8
175.14818	3.5
191.14426	0.8
193.15843	3.4
211.16920	17.9
212.17148	0.6
212.83075	0.7
267.15891	0.8
284.14981	1.6
284.18573	1.1
303.01422	2.6
360.03284	0.8
447.05716	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	446.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	10.5
57.03432	4.6
58.06600	8.6
59.04961	4.5
59.06115	8.2
60.04529	21.4
60.08148	8.1
63.58604	4.5
67.05479	9.4
68.85861	3.9
69.03423	21.1
69.07045	5.9
70.06585	31.3
70.53350	11.6
71.04965	7.9
73.02911	4.2
79.05503	8.7
81.03406	10.6
81.07033	8.8
83.04977	16.1
83.08614	8.1
84.04488	11.6
85.02918	34.7
86.06075	13.1
91.05823	7.7
92.06117	4.5
93.07038	16.7
95.08600	20.7
96.08124	8.7
97.02891	11.2
97.06545	5.5
98.20798	5.1
99.04448	9.7
100.07618	10.0
105.07024	9.0
107.08572	13.0
108.08105	12.2
109.02841	6.3
109.06488	10.5
109.10172	5.9
110.06000	4.5
111.00780	4.4
112.07604	26.9
113.06039	10.5
115.21064	4.1
116.07092	6.2
119.08568	14.8
120.57816	4.5
121.10089	26.1
123.04434	7.8
123.08051	35.1
124.07610	37.2
124.11211	14.4
125.09631	6.4
127.03918	11.0
133.10115	6.0
134.41089	4.1
135.08018	9.5
135.11668	10.1
135.47787	5.0
137.09561	6.1
138.05481	9.3
139.03889	65.9
140.07076	8.2
142.12210	10.9
145.10136	5.9
147.11679	5.7
149.09608	12.9
153.09058	5.3
156.10143	7.3
158.08165	27.5
159.11765	4.4
163.03900	12.6
164.10670	7.0
167.10654	42.1
168.13680	6.1
170.45699	4.5
174.09085	5.7
177.12802	8.0
189.12798	6.6
190.12218	5.0
192.10118	4.9
196.13339	10.5
206.15385	8.0
207.13747	18.2
223.13245	10.7
230.15376	10.1
233.17778	8.1
237.86823	5.0
248.16486	28.2
266.17523	82.1
284.18555	79.7
289.07071	19.5
303.01392	6.0
305.55182	4.5
428.22815	8.7
446.23938	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16228	1.2
53.03937	4.6
53.06998	1.1
55.01864	1.9
57.03424	2.2
63.30088	1.1
69.03426	10.6
70.06575	3.0
71.04980	1.7
71.34435	1.8
71.60092	1.8
73.02904	4.3
73.04739	2.0
74.06024	1.4
81.03409	17.2
82.28519	1.4
85.02910	8.9
86.06089	3.3
88.56564	1.3
91.05474	8.9
92.05747	1.6
97.02911	10.0
99.04444	4.1
103.05471	1.3
109.02872	18.3
112.05023	1.5
112.07607	2.1
114.05539	3.8
115.03933	3.0
123.04427	2.7
127.03907	30.5
132.10243	1.9
133.08540	1.4
138.05504	20.2
139.03909	6.8
143.92738	1.3
145.04979	3.7
146.83908	1.3
147.04387	5.1
153.01828	6.9
157.02837	1.6
163.03941	3.4
163.05995	1.4
167.05611	2.8
173.02274	2.7
175.03900	2.9
176.09064	2.8
177.05458	3.2
185.02229	2.2
187.03926	6.2
191.03394	2.0
201.01863	3.5
203.03358	5.6
205.08580	2.1
206.10316	1.7
213.01811	4.4
215.03409	5.7
217.01334	1.5
219.02892	1.4
229.01346	5.6
230.02119	1.4
231.02858	21.5
237.05457	2.3
241.01364	5.1
247.02478	8.4
255.06596	1.4
257.00790	12.1
259.02390	33.7
261.99014	1.4
265.04938	2.7
275.01846	16.3
276.02539	2.2
277.03421	75.6
282.09705	3.7
285.00323	10.2
287.02103	1.6
289.03458	6.7
303.01343	100.0
315.01453	1.9
315.04938	1.6
321.02631	5.1
328.99344	3.1
331.00732	7.6
339.05063	3.5
357.06180	2.7
360.02817	3.8
367.04416	4.6
385.05444	5.1
411.03369	2.6
429.04398	4.7
446.14447	6.6
446.19684	2.9
447.04993	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
55.05499	9.3
57.07067	5.7
60.44996	1.9
66.30189	2.0
67.05499	23.9
69.07063	34.7
70.81582	5.6
71.08623	3.7
79.05497	5.0
81.07053	36.9
83.08592	11.4
86.86980	1.9
91.05477	3.5
93.07032	22.5
95.08599	100.0
97.10168	5.4
105.07028	11.3
107.08589	47.4
109.10150	77.0
111.11692	16.1
111.16567	2.4
116.88313	2.0
119.08599	19.2
121.10129	40.8
123.11696	30.6
133.10126	15.2
135.11673	20.2
137.13240	13.5
139.07532	7.0
147.11649	11.5
147.56886	2.3
149.09622	4.4
149.13252	23.0
151.14861	2.6
153.09097	14.9
161.13251	14.4
163.14793	19.9
165.09085	8.4
167.10690	6.1
175.14784	6.6
177.16367	9.0
181.12164	3.0
189.16412	2.7
191.17928	10.4
201.16402	3.4
203.17960	14.0
205.15898	1.9
205.19505	42.3
207.13907	2.9
209.15392	15.0
217.19472	13.6
219.21048	11.6
221.15358	3.3
223.16931	11.8
235.16864	3.2
249.18425	3.2
263.20108	3.7
317.24768	4.4
418.18640	2.8
427.35696	57.4
445.36829	3.0
458.04639	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	445.367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.6
57.07067	3.1
57.10612	0.6
63.77201	0.6
67.05468	1.6
69.06731	0.7
69.07067	12.1
69.36602	5.4
69.37015	1.3
71.08619	1.5
81.07055	4.2
83.04984	0.6
83.08610	5.1
89.93674	0.7
93.07018	1.7
95.08591	3.1
97.10137	2.7
105.07010	1.4
107.08584	2.3
109.10145	3.0
111.11702	1.3
119.08566	1.2
121.06522	1.0
123.11671	1.2
125.13250	1.1
135.07956	0.6
137.09592	4.0
137.13246	1.1
139.07475	0.8
140.78798	0.6
147.99286	0.7
149.09630	4.6
159.11563	0.8
161.09641	0.6
163.11145	2.6
164.08287	1.4
165.09108	45.2
166.09413	1.0
170.97891	0.6
173.09570	1.1
175.11165	1.7
177.09079	3.2
179.10567	0.9
189.09074	1.3
189.12788	1.0
190.09921	1.2
191.10640	4.0
199.11023	0.7
201.12509	0.8
203.10594	2.8
203.14243	1.0
205.12207	5.6
217.12263	0.8
231.13692	0.9
233.15068	0.7
245.15324	1.1
289.21527	1.7
345.27771	1.8
353.48074	0.7
372.13727	1.4
373.14383	2.1
385.14740	0.9
386.15201	0.9
387.15921	5.5
388.16553	2.6
400.16888	0.7
401.12881	1.1
401.18109	5.3
402.18381	3.0
403.18948	1.7
414.14398	0.8
415.15192	9.6
416.15829	2.5
416.20361	1.5
417.16248	2.0
417.20514	3.0
418.21405	1.4
427.35571	9.0
428.36685	3.9
429.16995	6.1
430.17606	12.6
431.18451	5.2
444.19324	0.9
445.19998	100.0
446.20593	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	445.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01862	2.3
55.05508	12.2
57.03429	1.8
57.07050	1.1
64.10838	0.8
65.03918	1.7
67.05499	30.9
69.03413	1.8
69.07067	9.9
69.88645	2.3
69.89036	2.1
71.04986	1.7
73.06546	0.9
79.05487	22.9
81.03384	1.4
81.07050	28.8
83.04965	2.7
83.08630	4.8
85.06530	1.7
89.97012	0.8
91.05463	35.9
93.07034	24.8
95.04975	5.2
95.08602	18.0
97.06513	3.1
97.10159	1.8
99.08044	0.9
103.05435	1.2
105.07026	33.7
107.04942	2.8
107.08582	11.4
109.06503	3.4
109.10172	8.8
111.08059	1.8
115.05424	2.1
117.07005	15.8
119.08574	21.0
121.06494	3.4
121.10127	8.7
123.08061	3.2
123.11707	1.2
125.09625	2.2
128.06216	3.4
129.06984	11.6
130.07805	1.1
131.04968	1.0
131.08562	25.6
133.06516	1.6
133.10129	10.7
135.08055	2.5
135.11685	4.6
137.09550	2.2
141.06897	3.8
142.07739	1.1
143.08554	13.9
145.06488	2.8
145.10115	15.0
147.08049	3.4
147.11688	3.9
149.09599	2.9
149.13240	1.6
155.08554	7.0
157.10118	8.0
159.08044	1.8
159.11687	6.0
161.09653	1.7
161.13202	1.5
163.11142	1.5
166.07739	1.4
167.08534	2.3
169.10077	4.4
171.07991	1.0
171.11664	5.9
173.09720	0.9
173.13249	2.9
175.11180	1.4
177.12659	1.3
177.16402	1.3
181.10112	3.1
181.11838	0.7
183.08221	0.9
183.11635	4.1
185.09711	0.8
185.13261	3.1
187.11177	0.8
187.14815	2.1
189.12762	1.0
195.11696	3.0
197.13208	4.0
199.14850	2.0
201.12732	1.6
201.16441	0.9
203.14357	1.4
209.13257	2.2
211.14819	2.3
213.12833	0.9
215.14400	1.1
217.15790	1.0
221.15468	0.9
223.14833	2.1
225.16212	1.1
227.14326	1.9
229.15866	1.4
233.15318	1.2
237.16296	1.2
241.15813	1.9
243.17407	1.2
245.15109	1.1
247.14510	0.9
247.17017	2.8
255.17400	1.4
261.18448	1.5
269.18954	0.9
325.25226	1.3
335.23639	3.7
343.26315	3.4
353.24704	13.2
359.02875	0.9
368.47928	0.8
371.25766	12.0
389.26813	13.7
427.28516	3.0
445.29453	100.0
446.29773	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	445.2946
Annotation	Asparacosin A
Peak:m/z	Relative Intensity
51.02368	0.9
53.03934	2.2
54.05541	0.7
55.01855	2.8
55.05255	1.0
55.05505	12.3
57.03418	2.4
57.07064	1.2
65.03933	1.4
67.05501	28.5
69.03412	2.3
69.06718	0.8
69.07063	10.3
70.89494	0.6
71.04982	2.5
72.66821	0.6
79.05486	27.0
81.03378	1.7
81.07051	30.6
81.08368	0.8
83.04967	2.2
83.08625	4.3
85.02879	1.2
85.06519	1.9
91.05466	36.6
93.07038	27.1
95.04964	6.4
95.08597	19.4
97.02892	0.8
97.06499	2.6
97.10156	2.2
99.04463	0.6
99.08101	0.9
103.05433	1.9
105.07023	35.5
107.04957	3.3
107.08582	13.4
109.06505	3.2
109.10134	7.4
111.08096	1.5
115.05456	2.1
116.06200	0.7
117.07009	16.4
119.04901	1.6
119.08574	19.4
121.06488	3.8
121.10141	9.1
123.08060	2.4
123.11715	1.3
125.06029	1.1
125.09631	1.6
128.06216	2.9
129.05502	1.0
129.07008	12.0
130.07738	1.0
131.08560	24.1
133.06488	2.2
133.10120	11.5
135.08057	2.1
135.11659	2.9
137.09587	1.5
141.06981	4.5
142.07739	2.1
143.08553	12.1
145.06465	1.4
145.10118	15.9
147.08055	2.0
147.11642	4.6
149.09595	2.2
149.13226	1.2
151.11205	1.0
154.07736	1.2
155.08543	6.6
156.09309	1.1
157.10103	6.5
159.08070	1.3
159.11685	7.3
161.09592	1.5
161.13226	1.7
163.11162	1.1
165.06876	0.7
167.08516	2.2
169.10117	6.7
171.07990	0.9
171.11662	5.1
173.09595	1.0
173.13242	2.9
175.11157	1.3
175.14789	0.8
177.12752	1.3
181.10133	3.2
182.10861	1.0
183.11630	3.3
185.09555	1.0
185.13290	3.5
187.11128	0.9
187.14835	2.3
189.12737	0.7
195.11676	2.6
197.13225	3.3
197.54211	0.6
199.14844	2.6
201.12680	1.5
201.16339	0.8
203.14397	1.0
205.15863	0.8
207.11737	0.7
209.13277	2.2
211.14734	2.9
213.12706	1.5
213.16310	0.9
215.14374	1.0
217.15787	0.7
223.14915	2.6
225.16377	2.0
227.14282	1.1
229.15916	1.2
231.13699	0.8
233.15375	1.5
237.16367	1.0
241.15971	1.4
243.17477	0.8
245.15285	1.0
247.17007	2.3
255.17346	1.2
259.17029	1.2
261.18683	1.0
271.16815	1.2
275.20230	0.8
316.37045	0.8
325.25186	1.8
335.23691	4.2
343.26389	3.5
353.24716	10.1
371.25772	11.7
389.26767	12.1
399.28848	0.9
427.28476	3.5
445.29462	100.0
446.29547	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	445.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.05295	1.4
55.05512	15.9
57.03425	1.7
57.07060	1.6
66.73715	1.3
67.05170	2.6
67.05502	38.5
69.03423	3.3
69.07065	12.3
69.07384	2.4
71.04982	2.3
71.59286	1.7
71.59657	1.9
76.58488	1.5
79.05489	28.1
81.03412	2.6
81.07053	32.6
83.04959	4.3
83.08620	8.0
84.52972	1.3
85.06540	2.4
91.05444	38.0
93.07037	30.0
95.04971	6.1
95.08605	24.7
97.06539	3.3
97.10158	2.9
103.05454	2.0
105.07027	36.5
107.04965	3.4
107.08606	15.9
109.06504	4.1
109.10152	10.0
111.08105	1.9
114.07327	1.4
115.05441	2.6
117.07015	21.6
119.08573	25.6
121.06518	4.8
121.10118	9.3
123.04425	2.1
123.08073	3.2
123.11657	1.8
125.09643	1.6
128.06197	2.7
129.06995	13.4
131.08559	27.3
133.06532	2.9
133.10109	12.1
135.08101	3.6
135.11703	6.7
137.09631	3.4
141.06989	5.2
142.07745	2.3
143.08556	13.8
144.09235	2.1
145.06473	2.1
145.10117	19.5
147.08032	4.1
147.11684	7.2
149.09641	3.1
149.13200	1.7
155.08551	7.2
157.10110	8.4
159.08014	2.0
159.11685	7.9
161.09656	2.8
161.13251	2.1
167.08650	1.5
169.10159	5.6
171.11699	6.8
173.09604	2.7
173.13341	2.7
175.14743	1.6
181.10129	2.4
183.11656	3.5
185.13242	3.6
187.11061	2.4
187.14813	2.1
195.11710	3.9
197.13295	3.7
199.14752	1.6
201.08920	2.1
201.12839	2.0
203.14371	2.2
203.88589	1.4
209.13228	3.0
211.14818	3.3
213.16417	2.4
217.16028	1.9
223.14726	1.5
225.04265	1.5
225.16348	2.2
229.15967	1.5
233.15413	2.9
237.16151	2.0
245.15080	10.4
247.17091	2.4
249.87801	1.4
259.17102	1.8
261.18576	2.3
325.25156	2.2
335.23740	3.6
343.26440	5.2
353.24774	13.9
359.02930	4.8
371.25839	13.3
389.26996	12.9
427.28394	2.8
445.29504	100.0
446.29666	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	445.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
61.34581	0.2
67.05498	0.3
69.03411	0.8
69.54041	2.5
79.05475	0.5
85.02899	0.7
85.06550	0.7
86.09692	0.4
91.05784	0.9
93.07072	0.3
95.08636	0.4
97.02883	0.3
98.21528	0.3
105.06998	0.3
107.04942	0.6
116.17614	0.3
119.08614	0.3
123.04426	0.6
133.92023	0.3
139.03864	0.5
143.08604	0.4
143.16827	0.3
145.06503	0.4
147.04332	0.3
153.01822	0.7
161.64207	0.3
167.05490	0.5
189.05315	0.4
190.06000	0.7
255.99283	0.3
265.17975	0.6
342.99973	0.3
359.02838	0.9
367.15250	0.7
385.16147	2.2
445.18341	100.0
446.18674	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	445.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01864	2.8
55.05512	13.5
57.03442	1.5
57.07063	1.9
67.05175	1.6
67.05504	28.2
69.07060	9.5
71.04993	1.9
71.59560	1.8
79.05490	24.5
80.46018	1.2
81.03413	2.7
81.07052	25.7
83.02231	1.1
83.04971	3.4
83.08618	5.2
85.06535	1.8
91.05450	27.9
93.07036	24.0
94.92240	1.2
95.04975	10.1
95.08600	20.4
97.06538	2.9
97.10152	3.0
105.03384	4.7
105.07021	31.3
107.04940	3.2
107.08598	13.2
109.06529	3.5
109.10146	8.3
111.08097	1.5
115.05442	1.7
117.07018	17.8
119.08569	22.1
121.06500	4.4
121.10156	9.3
123.08044	3.7
125.09604	2.3
128.06201	2.5
129.07019	11.5
130.97989	1.4
131.08559	27.5
133.06490	3.2
133.10124	11.2
135.08034	2.0
135.11688	4.5
137.09578	2.5
141.06952	2.3
142.07797	2.0
143.08556	8.9
145.06529	2.0
145.10112	15.7
147.08046	2.8
147.11652	3.6
149.13292	1.6
155.08553	5.0
157.10141	8.4
159.08081	1.7
159.11679	7.5
161.09637	3.3
161.13240	2.8
167.05519	2.8
169.10139	4.9
171.11682	6.8
173.09637	1.8
173.13315	2.2
175.11183	3.0
177.12653	1.4
181.10127	3.2
183.11673	2.4
185.13277	2.4
187.14890	2.5
189.12781	1.4
194.11778	1.6
195.11725	2.0
197.13257	2.9
201.12752	2.3
211.14798	1.8
213.12715	2.2
213.16383	1.3
215.14346	1.7
223.14806	1.4
227.14247	1.7
233.15366	1.6
243.17490	2.1
247.17004	2.6
261.18445	1.4
291.73660	1.3
325.25217	2.1
335.23575	3.0
343.26367	3.0
353.24756	11.5
359.02823	2.0
371.25845	9.0
389.26801	11.7
427.28247	2.5
445.29510	100.0
446.29697	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18111	2.0
61.85743	2.2
69.03427	3.4
69.83701	12.5
70.06616	3.5
82.85300	2.4
85.02896	13.2
86.06058	4.2
97.02899	5.5
98.20796	2.7
105.08212	2.3
115.85089	2.6
122.07187	6.8
123.07921	3.9
126.86244	2.8
127.03915	2.8
135.75311	2.9
136.06229	6.4
137.06007	7.4
145.04959	3.6
152.05685	4.5
153.01863	7.7
177.85526	2.8
178.04922	3.9
185.91634	2.6
219.07808	2.8
273.08078	2.8
283.13058	3.8
445.11279	100.0
445.18823	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	445.175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
56.05045	0.3
69.03437	0.3
70.06596	0.3
71.59875	0.5
71.60244	0.4
73.04768	0.5
76.03986	1.3
79.30278	0.3
80.05029	0.6
80.50343	0.3
81.03365	0.3
83.01901	0.3
83.06090	0.3
84.04501	6.8
85.04012	1.5
85.84698	0.2
91.05836	2.1
92.01691	0.7
93.05788	0.8
94.06557	1.3
95.04929	0.3
97.02843	0.4
99.02664	1.5
99.05589	0.7
106.06567	0.8
108.08111	1.4
109.02873	0.5
109.08895	1.1
110.06025	0.7
110.09689	1.0
111.02696	0.7
112.03979	0.5
113.03481	0.5
113.04207	0.4
118.06557	0.5
119.07328	1.0
120.08099	0.5
122.06028	5.3
123.04428	0.5
124.02183	0.6
124.07584	0.3
125.02975	0.8
126.03734	1.7
127.02139	0.6
127.04560	0.5
129.06580	0.3
130.05009	3.1
131.04475	1.3
135.02669	0.4
136.07556	1.3
137.08356	35.5
138.05521	2.1
138.09140	7.8
139.05821	0.3
139.09805	0.3
140.05316	0.3
140.10713	1.6
142.03212	0.4
142.06834	0.9
145.06096	0.6
149.03802	0.3
150.03790	0.3
152.01762	0.3
152.05301	4.6
153.01779	1.5
153.03978	0.4
153.06557	0.4
159.02194	0.4
160.00575	0.3
167.05513	0.9
169.80440	0.3
170.06342	100.0
171.06668	1.1
172.07921	2.2
177.03296	4.8
180.04712	0.4
181.06134	0.6
185.03809	1.8
196.06110	0.5
196.07906	9.3
204.58345	0.3
206.06322	1.2
206.11743	0.6
213.10559	2.3
223.09006	2.1
224.07388	11.6
225.04227	0.4
231.04340	6.1
236.92749	0.3
241.10065	6.1
279.11591	1.8
288.06482	0.8
289.09714	0.3
298.11975	0.3
298.27374	0.3
306.07489	0.5
316.13251	10.8
352.13110	0.9
359.02863	2.0
370.14285	1.5
445.20035	3.8
446.14337	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.8
59.30690	0.8
67.05488	1.1
68.24130	0.8
69.03424	3.1
69.07063	2.6
70.06577	1.8
71.04980	2.7
71.59670	1.2
71.60065	0.9
73.04743	1.2
79.01836	2.5
81.03407	5.8
85.02890	4.4
88.07629	1.6
91.05806	6.4
95.04942	1.0
95.99600	0.8
97.02879	4.7
99.04427	1.0
102.48163	0.8
107.04922	1.0
109.02886	4.8
112.07581	2.4
113.05993	1.9
120.08100	1.5
123.04382	1.8
125.02356	2.3
127.03920	4.7
130.08626	100.0
139.03899	5.7
140.04202	1.7
143.03383	3.8
153.01814	73.2
167.05576	3.2
171.02863	6.6
175.11290	1.1
179.03391	1.0
218.11691	1.2
220.09668	1.0
225.04335	1.4
246.11273	3.7
264.12299	6.7
282.13162	6.2
292.13858	6.1
297.06003	4.2
315.07138	6.1
334.34360	1.1
359.02734	6.0
444.11038	2.5
444.15158	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	444.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01872	1.1
55.05510	1.0
57.03433	9.0
57.07075	2.8
59.05005	0.9
61.02916	1.3
63.04480	3.7
69.03437	2.5
70.06583	0.8
71.01345	1.1
71.04987	73.1
71.60442	0.8
73.02913	1.8
75.04477	5.4
81.03421	1.1
83.04978	7.6
84.04484	2.6
85.02898	100.0
86.03252	0.8
86.06062	0.7
86.09700	1.3
87.04462	2.4
91.05787	1.6
97.02873	3.1
99.04443	1.6
101.05999	1.1
103.03925	1.5
103.05457	1.2
105.07021	5.2
106.07362	1.8
107.04959	0.9
109.02869	0.9
111.04434	9.0
115.05461	1.0
116.05691	0.8
119.10686	20.2
122.02728	2.2
123.04442	2.5
127.03898	4.7
129.05469	43.9
130.04988	1.1
130.05849	0.6
130.09773	0.5
133.06476	3.8
134.06808	2.7
139.03877	1.4
145.04926	1.7
147.06511	26.1
151.03888	0.7
153.01773	1.1
157.97058	0.6
161.05960	7.0
162.06299	4.7
163.06026	0.6
164.09172	2.1
165.07635	0.8
167.05531	0.8
188.09050	0.6
193.08562	4.3
194.08932	4.0
198.77295	0.5
200.11317	0.5
229.14262	1.0
237.07445	0.6
251.06898	3.0
252.07251	3.2
255.08521	2.0
265.16412	5.4
273.09540	1.8
281.15863	0.9
309.11673	1.7
355.47357	0.5
359.02814	1.0
444.17575	0.6
444.29712	1.2
445.18399	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	11.6
57.07079	6.8
67.05505	22.5
68.17975	4.2
69.07054	23.6
71.60625	7.9
79.05499	5.1
81.07061	43.0
83.08602	13.1
85.06540	6.2
93.07041	18.7
95.08602	100.0
95.09174	9.1
97.10164	11.2
102.75948	4.7
107.08580	35.8
109.10153	80.4
111.11734	10.2
112.23363	3.9
119.08562	6.3
121.10148	27.0
123.11707	43.0
133.10138	8.2
135.11696	24.0
137.13252	13.8
139.24091	4.3
147.11690	4.8
149.13274	24.1
151.14806	6.6
163.14810	17.8
177.16388	16.5
191.17850	7.3
195.13843	5.4
205.19534	39.4
219.21140	12.1
225.75923	5.2
244.37309	5.5
292.88474	5.6
310.39526	5.6
443.33286	14.8
443.38809	63.5
444.42111	5.7
468.63602	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3882
Annotation	15Z,18Z,21Z,24Z,27Z-triacontapentaenoic acid
Peak:m/z	Relative Intensity
53.50853	1.9
55.05510	13.7
57.07067	6.6
62.82131	1.9
67.05501	28.9
69.07065	37.0
70.20985	5.2
71.08620	2.7
75.56254	1.8
79.05489	10.0
80.71894	2.0
81.06575	3.6
81.07052	64.1
83.08625	12.0
85.06525	6.0
85.67368	1.8
91.05480	10.3
93.07050	26.3
95.04961	4.5
95.08601	100.0
97.06521	5.1
97.10185	9.3
105.07040	13.7
107.08586	47.5
109.06531	3.4
109.10152	88.1
110.10480	2.3
111.08072	4.8
111.11732	11.8
119.08560	16.1
121.10143	42.2
123.08051	4.8
123.11700	45.8
125.09626	3.6
127.11204	3.6
131.08585	5.2
133.10110	17.0
135.08075	3.1
135.11674	36.2
137.09602	2.3
137.13257	22.1
139.11110	2.8
141.09103	2.2
143.10481	2.3
145.10088	7.2
147.11685	10.5
149.09596	2.8
149.13249	27.1
151.11299	2.2
151.14847	6.8
153.12704	2.0
157.10158	2.5
159.11711	9.6
161.13249	6.6
163.11215	2.7
163.14812	17.1
163.17709	1.9
165.09128	3.4
167.10652	2.7
173.13283	4.2
175.11189	4.2
175.14799	9.5
177.16396	15.8
179.18005	2.4
187.14771	3.3
189.12859	2.2
189.16367	6.4
191.14197	2.6
191.17986	13.2
195.13824	3.2
201.16325	5.4
203.17966	7.2
205.12392	3.0
205.16101	2.8
205.19501	37.9
207.21098	2.9
209.15311	2.6
215.17961	4.6
217.19516	7.9
219.21132	6.4
221.15529	2.2
229.19592	4.7
231.21054	2.7
237.18639	3.2
245.22697	6.7
251.10533	3.1
257.22644	3.3
283.24002	2.1
291.14343	2.3
316.18240	2.1
369.35172	2.5
425.33002	9.7
425.38116	6.4
443.22531	2.1
443.33923	25.8
443.38791	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	443.3518
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
50.66253	0.7
52.55851	0.9
53.03938	1.4
55.05500	8.1
57.07059	2.5
59.05008	1.0
65.03922	1.0
67.05496	15.5
69.03435	1.6
69.06716	1.7
69.07069	21.7
69.07445	1.1
69.39196	0.8
69.58027	4.0
69.58459	2.9
71.04964	1.1
71.08644	1.1
79.05482	15.2
80.82378	0.9
81.07053	39.0
83.04984	1.6
83.08612	6.4
85.06554	2.8
91.04947	1.6
91.05464	11.9
93.07037	40.8
95.04968	4.7
95.08600	52.9
96.08987	1.1
97.06524	5.7
97.10169	5.3
105.07024	23.3
107.08589	57.4
109.06522	2.7
109.10149	31.1
111.08080	6.1
111.11749	0.9
113.97050	0.8
117.07009	2.0
119.08567	21.4
119.09335	1.5
121.06548	2.0
121.10132	52.7
123.04430	2.7
123.08041	4.7
123.11678	9.0
123.12455	0.9
125.09637	2.6
129.07019	1.4
131.08543	7.3
133.10126	23.6
135.08058	2.1
135.11673	13.1
136.17630	0.8
137.09616	7.7
137.13257	3.1
139.03922	1.6
139.11180	2.1
139.70465	0.8
141.09120	1.9
142.07825	0.9
143.08511	4.1
145.10115	12.8
147.08075	1.3
147.11662	14.3
149.09624	3.6
149.13249	86.4
150.13617	2.2
151.11255	1.7
156.09354	1.7
157.10150	7.5
158.10944	1.6
159.11661	10.0
160.12457	0.9
161.09596	1.8
161.13251	9.1
163.11185	5.2
163.14810	73.2
164.15164	1.0
167.10696	1.1
169.10123	1.4
170.10941	2.3
171.11665	8.2
172.03133	0.8
172.12444	2.3
173.09709	1.0
173.13266	12.0
174.14091	0.8
175.11241	3.3
175.14799	11.6
177.16374	100.0
178.16716	2.4
179.17932	1.8
183.10153	1.2
183.11707	2.3
185.13269	6.9
187.14813	26.4
187.16428	1.5
188.15218	1.4
189.12781	2.9
189.16351	22.3
191.14330	2.8
191.17934	7.4
193.15895	3.6
197.13286	3.6
199.14783	4.3
201.12910	1.2
201.16354	8.8
203.14371	3.4
203.17987	6.8
205.15871	5.0
205.19548	2.0
207.13777	1.6
211.14761	2.2
213.16370	6.9
215.14359	3.7
215.17998	3.4
217.15878	3.7
217.19473	1.8
219.17456	1.6
221.15500	1.8
225.16248	1.8
227.17953	2.3
229.15877	4.2
231.17416	13.0
231.19556	1.1
233.15398	3.7
235.16992	3.6
241.19501	1.9
243.17497	1.5
243.21083	1.1
243.44223	0.8
245.18919	1.5
247.16960	2.9
249.18521	9.6
251.16505	1.5
255.21396	1.3
257.19000	1.0
261.18607	1.0
267.19611	2.8
269.22626	2.6
275.20187	1.3
285.22281	2.1
287.23779	1.6
349.29047	1.0
363.30481	1.7
365.31830	1.1
367.29526	1.2
379.29584	1.0
381.31497	5.6
389.32083	4.8
407.33075	12.7
425.34186	24.8
443.35275	69.5
444.35553	4.6
467.73407	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3516
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
50.52711	1.0
53.68789	0.9
55.05505	8.9
57.07070	5.3
59.04999	1.3
65.03945	1.1
67.05501	25.0
69.07065	23.0
71.08628	1.6
71.28412	1.2
71.28747	1.8
72.71449	0.9
79.05487	7.3
81.07049	35.1
83.08615	6.9
85.02894	1.3
85.06532	3.8
89.33730	0.9
91.05480	3.5
93.07037	18.7
94.77225	1.1
95.04956	2.0
95.08601	100.0
96.08936	1.5
97.10179	5.2
105.07031	7.7
107.07861	2.1
107.08585	34.5
109.06503	3.0
109.10149	100.0
111.08065	1.4
111.11707	11.0
119.08556	10.6
121.10139	34.1
123.08052	11.2
123.11698	19.7
125.09625	21.1
125.13271	1.1
131.08533	2.5
133.09204	1.5
133.10127	11.5
135.08058	2.4
135.11676	29.7
137.09610	3.8
137.13243	11.7
139.07539	2.1
145.10136	3.9
147.11661	7.5
149.09590	3.5
149.13246	21.2
151.11172	2.3
151.14806	1.2
159.11723	4.2
161.09613	1.7
161.12029	1.0
161.13246	6.2
163.14784	11.3
165.09113	1.2
165.12727	2.1
171.11674	1.1
173.13257	3.5
175.14815	4.6
177.12769	2.4
177.16356	5.8
179.14183	1.4
185.13164	1.2
187.14822	2.4
189.16411	3.2
191.14291	1.6
191.17928	8.2
201.16342	2.2
203.14317	8.9
203.17921	5.1
205.19508	44.3
206.19659	1.3
207.13768	4.3
217.19501	3.2
219.13731	1.5
219.21043	6.0
221.15356	12.0
225.14825	1.8
233.15642	1.2
237.14873	1.4
239.16357	2.4
241.19482	1.4
247.16908	3.0
251.16222	1.3
261.18503	1.7
271.24219	2.0
287.20114	2.6
289.21652	1.6
313.28943	2.7
315.23361	1.8
341.32159	2.2
355.29922	2.1
357.27789	1.0
365.32043	2.4
383.32913	2.2
397.34326	1.2
407.33136	3.4
425.34103	60.8
426.34341	2.9
443.35147	84.3
444.35532	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	443.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.0
55.01857	2.7
55.05513	5.9
61.79147	1.0
65.03940	2.3
67.05499	9.5
69.03417	5.1
69.07056	3.7
71.34589	2.4
79.05481	14.5
81.07050	9.4
83.04977	2.8
91.05469	61.2
93.07040	12.4
95.04951	7.7
95.08624	5.6
103.05445	1.3
105.07017	82.3
107.04945	4.1
107.08598	5.8
109.06480	2.1
109.10174	2.0
113.24995	1.3
115.05446	3.3
117.06989	8.9
118.07849	1.6
119.08562	29.6
121.06506	5.1
121.10105	4.0
123.04378	6.0
123.08029	1.3
123.11659	1.7
128.06256	1.4
129.06993	10.9
131.08556	21.6
133.06479	12.0
133.10112	100.0
134.10475	1.9
135.08022	2.0
135.11729	1.6
139.03873	2.4
141.06975	1.5
142.07782	4.6
143.08528	3.2
145.06393	3.5
145.10106	10.5
147.08032	4.1
147.11673	65.0
149.09689	1.3
149.13260	1.5
155.08463	1.6
156.61214	1.2
157.10123	10.7
159.08051	2.3
159.11763	2.2
161.05954	1.2
161.09706	1.6
165.06946	2.3
171.08043	2.8
173.09647	8.5
175.11162	84.8
178.07825	1.3
179.08586	2.1
181.09999	1.7
183.07951	1.5
183.11699	1.7
185.09602	2.4
185.13182	1.2
187.04654	1.3
187.11034	1.4
193.10178	1.5
195.08061	3.3
196.08865	2.1
197.09587	3.4
199.11156	1.7
205.10196	1.9
207.11671	2.4
208.08820	6.8
209.09586	3.4
210.10345	1.5
211.07571	2.3
211.11143	3.7
213.12758	2.0
220.08826	1.7
221.09554	1.1
222.10387	1.8
223.11122	10.0
225.09076	2.4
225.12735	4.5
226.09917	2.2
227.10643	1.7
232.08769	1.4
233.09505	4.3
234.10451	1.6
235.11104	2.9
236.08386	1.5
237.09270	1.6
237.12762	1.4
239.10670	3.7
241.12172	7.2
246.10565	1.7
247.11098	1.7
249.12778	3.2
251.10635	10.7
251.14496	1.3
253.12265	2.9
261.12631	1.3
267.10318	1.6
269.11673	23.1
271.10944	1.3
273.12564	1.6
276.11392	1.6
287.10703	1.4
287.14050	1.3
301.15860	3.7
303.13602	1.6
305.15079	1.5
313.12204	1.8
313.15887	2.5
317.15469	1.5
319.16928	4.9
324.11746	1.4
329.15472	1.6
343.16949	2.2
359.16214	1.5
379.20633	1.6
394.44028	1.2
397.21793	2.5
404.10550	1.3
407.20050	3.3
415.22678	4.5
425.21173	10.2
425.26328	2.1
443.22150	39.8
443.27356	2.1
443.31790	2.7
444.22400	2.9
463.71979	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.097
Annotation	(-)-Catechin gallate
Peak:m/z	Relative Intensity
51.01516	0.3
51.02375	0.9
53.03938	0.5
54.82664	0.3
55.01860	0.6
64.43214	0.4
65.03928	0.9
65.66366	0.3
67.05488	1.2
68.99777	1.0
69.03432	0.5
70.00006	0.7
70.00423	1.3
71.01281	0.3
77.03924	0.8
79.01836	1.6
83.04969	0.8
93.03407	0.8
93.06982	0.4
95.04968	1.6
97.02869	0.7
105.03377	1.2
111.04438	2.5
119.04934	1.1
123.04416	100.0
124.04742	0.9
125.02358	0.9
135.08035	2.3
139.03889	75.9
140.04227	0.7
143.03404	2.6
147.04391	6.1
151.03889	10.4
153.01814	23.9
153.02879	1.2
156.09273	0.4
161.05951	1.2
163.03944	0.9
165.05472	3.7
187.11160	1.5
189.05455	0.9
207.06528	0.8
215.10683	0.5
226.30151	0.3
233.11700	0.8
245.11772	0.9
255.06483	0.7
263.12894	0.6
273.07574	5.6
291.08606	6.6
305.83536	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.9
56.05024	1.2
58.99557	0.7
70.06574	1.4
70.85494	1.8
72.12729	0.5
72.36891	0.5
76.02213	2.3
79.05482	5.9
84.04499	15.1
85.02893	2.0
86.09689	1.0
86.99047	1.5
91.05462	2.4
95.04939	1.8
103.05470	6.4
105.00059	1.1
105.07024	58.8
106.07345	0.8
115.05442	10.4
118.04159	3.5
122.02727	18.5
123.04440	4.3
130.04993	8.9
131.04924	1.1
132.05609	0.8
133.06479	55.2
134.06859	0.7
139.03891	5.7
142.03212	2.1
143.04961	1.2
143.06027	3.2
153.01794	3.2
159.11656	0.9
161.05968	100.0
162.06325	2.4
188.03760	2.1
190.70242	0.7
193.08591	62.8
193.34598	0.6
194.08827	1.7
195.80220	0.7
233.11781	0.6
234.04277	3.4
246.14749	0.9
251.06947	46.4
252.07237	1.5
264.15967	0.7
281.13788	0.6
296.17633	0.7
443.18921	4.8
443.29807	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	443.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24568	0.4
54.03462	2.6
55.04263	2.4
57.03428	0.7
59.25913	0.4
61.02894	0.7
63.56385	0.4
69.03424	2.7
70.02943	0.6
70.06573	0.5
71.04999	0.5
71.51495	0.8
72.05518	0.4
73.02930	0.6
80.05007	0.6
81.03398	0.9
81.04536	20.2
82.05316	7.5
85.02898	3.6
87.04451	0.8
96.06880	0.7
97.02883	1.7
97.07610	0.4
99.04447	0.6
101.06007	0.6
108.05588	0.9
109.02851	0.5
110.07093	0.5
114.03744	0.7
122.07145	100.0
123.07927	91.3
124.08263	0.7
127.03909	1.4
136.06209	0.4
139.03893	6.1
142.65054	0.3
144.04752	0.9
145.05043	0.4
151.03961	0.5
153.01842	1.9
160.04268	2.0
163.03831	0.4
165.07729	3.6
167.03299	0.7
172.04289	1.8
179.03377	0.5
191.03392	0.6
203.03406	0.8
210.36905	0.4
233.04420	0.4
257.04541	0.6
263.05417	0.4
275.05426	1.3
281.10657	58.3
282.10873	1.6
287.05450	1.7
299.05515	1.5
303.05023	0.4
317.06357	0.5
323.11615	1.1
399.90958	0.4
425.08563	0.5
443.15948	99.4
444.16156	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	442.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.7
55.01851	0.4
55.05512	0.9
57.07071	23.9
61.02929	1.4
69.03436	3.0
69.07056	2.3
69.56301	1.4
69.56717	2.8
71.04980	0.7
71.08627	31.0
73.06520	1.2
81.03408	2.0
81.07056	0.6
83.90386	0.5
85.02903	11.1
89.06026	73.6
95.08629	0.9
97.02895	3.6
99.04475	0.7
105.46607	0.5
107.07056	4.6
109.02863	1.2
109.06561	0.6
113.13295	1.4
127.03893	1.8
128.43886	0.5
130.08611	1.0
131.08582	0.7
133.08597	19.7
145.04929	1.9
151.09648	51.6
157.15874	1.7
201.18456	4.5
263.22159	100.0
264.22482	1.8
443.27405	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	443.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55268	1.3
55.01856	2.8
56.96562	3.2
57.03194	1.1
57.03440	10.4
61.02934	6.4
69.03422	16.3
69.33967	8.7
69.34400	5.2
70.06588	1.7
73.02913	9.3
75.19353	1.3
81.03392	4.5
81.04523	5.9
85.02899	27.8
91.03935	3.7
97.02879	17.2
98.97573	13.8
99.04446	1.9
101.57558	1.3
109.02864	3.9
110.97536	1.9
115.03912	1.5
116.98634	8.6
119.01810	7.6
122.07143	26.3
123.07928	21.0
127.03921	11.0
128.02286	2.4
128.98586	3.6
131.01784	3.3
134.99654	3.2
135.59055	1.4
139.03925	6.5
140.02261	3.8
140.59206	1.3
143.00175	2.1
143.01859	2.3
145.04945	7.1
146.02281	2.6
146.99641	3.3
149.02831	2.1
152.02246	1.7
153.01862	3.3
154.99988	1.4
155.02847	6.1
158.99648	7.7
161.01253	3.3
161.02849	5.0
164.03351	2.2
170.03333	2.7
170.99704	7.7
173.02870	2.9
177.00700	9.4
179.03683	2.0
181.08194	1.4
182.03383	6.7
182.99585	1.6
189.00716	12.3
191.02177	1.6
191.03870	20.6
191.53920	2.7
197.02948	1.5
200.04376	12.7
201.00645	7.6
207.01701	2.2
219.01718	11.0
221.05104	1.9
231.01747	1.9
233.04816	1.8
237.02902	7.7
243.01801	1.7
245.04977	3.7
251.08578	1.4
261.02713	8.2
263.05927	6.1
263.56235	2.0
272.06503	86.9
272.56699	13.9
275.05478	3.7
279.03894	5.8
281.04272	2.4
281.07040	15.1
281.10681	15.2
281.57196	2.6
287.05579	2.4
289.98486	1.6
291.03632	2.0
292.57855	5.1
321.05029	4.0
353.09216	1.8
362.09747	12.1
362.59634	2.2
381.07007	1.8
423.07953	1.9
425.08569	1.9
443.09433	100.0
443.15652	40.2
444.09735	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	442.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.01870	6.4
57.03436	14.7
57.07068	1.4
59.04990	1.2
61.02919	13.0
69.03425	29.4
69.07062	0.8
70.87536	1.0
71.01349	3.3
71.04971	2.4
71.08621	2.5
73.02913	68.6
79.98819	0.6
81.03413	6.0
85.02899	100.0
87.04461	4.7
88.18349	0.6
90.87021	0.6
91.03963	5.6
96.04464	0.7
97.02886	55.6
99.04446	3.7
103.03941	2.8
103.81248	0.6
105.06957	0.7
107.08538	0.8
109.02862	8.4
111.04433	0.7
111.11724	1.2
115.03920	27.8
123.04428	1.9
125.02313	1.0
127.03910	34.2
132.06587	0.7
133.04955	36.9
137.77652	0.7
139.03903	1.0
141.02170	0.7
145.04950	62.1
150.07613	4.0
150.49167	0.6
151.03859	0.8
153.01837	1.2
157.04945	0.6
163.06006	32.0
181.07184	0.9
193.05042	1.6
199.06084	1.3
211.05997	0.7
217.07086	2.0
223.06082	6.7
227.16397	1.5
241.07040	8.0
259.08121	10.7
263.18427	0.9
277.09219	2.6
293.19568	6.2
295.10196	4.3
375.13461	0.7
442.25067	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	442.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.01864	6.9
55.05500	1.1
57.03434	14.0
57.07068	1.6
59.04988	0.9
61.02919	15.3
67.05486	1.2
69.03075	1.9
69.03423	29.8
69.07061	1.2
70.12780	3.5
70.13196	2.2
71.01351	3.5
71.04961	2.4
71.08616	1.8
71.51546	0.9
73.02912	67.2
76.63087	1.0
81.03406	6.8
81.07071	1.6
83.04962	1.6
85.02898	100.0
87.04449	4.8
90.82178	1.0
91.03938	4.4
91.05460	1.1
93.07061	1.3
95.04967	1.0
97.02883	55.0
98.21420	1.4
99.04446	5.6
103.03919	3.0
103.05460	2.7
105.07014	1.6
109.02878	8.0
111.04430	1.1
115.03917	27.5
123.04411	6.3
127.03910	35.3
131.04912	13.1
133.04953	35.1
135.04401	1.1
139.03905	5.9
143.03409	1.7
145.04950	69.3
149.06000	1.8
150.07628	4.0
151.03952	2.0
153.01825	6.8
157.05025	1.5
157.64468	1.2
163.06007	26.5
167.07059	4.5
170.14726	1.2
187.06073	1.3
199.06026	1.9
217.07123	1.4
223.05971	7.8
224.06488	1.0
226.98758	1.4
241.07019	8.2
259.08102	11.3
277.09238	2.2
293.10196	1.4
293.19611	4.7
295.10294	2.2
382.71567	1.1
442.24915	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
53.24664	1.0
55.01860	5.8
55.05507	2.3
57.03435	14.5
57.07064	1.1
60.83984	1.1
61.02921	11.2
67.05494	1.4
69.03429	28.0
69.07069	1.7
70.06559	0.9
71.01347	2.9
71.04977	2.5
71.60007	1.0
71.60452	1.1
73.02916	63.4
79.05485	2.0
81.03410	5.8
81.07037	1.8
82.20307	1.0
83.04982	7.8
83.08591	1.4
84.56053	0.9
85.02901	100.0
87.04457	3.5
91.03934	4.5
91.05458	2.0
93.07023	2.4
95.08594	2.1
97.02888	48.3
97.10144	1.2
99.04440	3.3
103.03944	2.1
105.07028	1.3
106.07322	1.0
107.08622	1.5
109.02889	7.4
115.03929	24.3
121.06476	1.3
121.10149	1.3
123.04429	9.6
124.04746	2.1
127.03909	28.5
127.04797	2.1
133.04961	32.5
133.10098	1.1
135.08046	4.7
139.03899	3.8
145.04958	55.9
147.04388	1.6
150.07584	3.2
153.01819	3.7
159.11601	1.1
161.13115	1.1
163.06018	21.8
167.07063	1.3
167.12968	1.0
173.09682	1.4
174.99190	0.9
193.04890	1.2
195.17538	1.4
217.07077	2.0
223.06018	6.8
229.15874	1.2
241.07042	6.1
259.08112	9.5
276.08450	1.3
277.09277	1.2
293.19696	1.9
295.10260	2.9
303.23148	4.0
424.24786	1.1
442.25278	6.0
466.56461	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3726
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
52.13231	1.4
53.03938	2.5
55.05513	15.8
55.95513	1.7
56.58681	1.4
57.07067	10.1
57.20501	1.5
59.04990	2.7
61.09914	1.4
63.40742	1.4
65.03944	1.7
67.05500	34.9
69.03415	2.2
69.07068	53.6
69.61558	1.5
70.54296	6.2
71.04994	17.0
71.08620	3.1
73.06535	1.8
79.05056	2.1
79.05492	25.3
79.27082	1.6
81.07054	100.0
83.04967	3.6
83.08608	15.0
85.06538	7.3
89.06005	3.5
91.05473	16.0
91.32534	1.6
93.06464	3.2
93.07039	49.6
95.04971	9.1
95.08602	69.0
97.06512	4.5
97.10165	4.4
99.08074	1.9
105.07022	43.9
107.08595	67.4
109.06510	8.0
109.10154	66.9
109.10921	2.7
111.08076	3.6
111.11721	2.0
116.17214	1.7
117.07021	6.7
119.08585	47.9
121.06490	6.6
121.10136	45.8
123.08103	2.4
123.10812	3.3
123.11706	57.8
125.09641	3.7
127.11221	11.5
131.08582	15.5
132.57098	1.5
133.08617	2.9
133.10132	35.5
135.08037	4.0
135.11691	44.2
137.09608	5.4
137.13266	10.0
139.11156	5.0
141.12737	2.2
142.07710	1.8
143.08530	5.4
145.10109	19.3
147.11690	24.1
149.09587	2.7
149.13268	20.5
151.11188	4.6
153.12750	12.4
156.09340	1.8
157.10086	8.3
158.10843	2.1
159.11694	28.0
161.09662	2.3
161.13252	23.6
163.11168	3.7
163.14854	12.3
165.09175	2.2
165.12727	7.3
169.10136	2.6
171.11671	6.0
173.13260	13.5
175.11139	3.4
175.14848	15.5
177.12752	3.7
177.16377	8.8
179.14352	2.4
183.11714	3.1
183.29543	1.8
185.13242	5.8
187.14835	11.1
189.16385	18.5
191.14316	2.1
191.17921	7.8
193.15938	4.0
197.13094	2.0
199.14810	5.8
201.16394	8.5
203.17920	11.3
205.15901	3.1
205.19606	2.0
207.17413	2.1
213.16382	7.9
215.17989	9.8
217.15904	3.7
217.19498	4.7
219.17465	3.7
227.17886	3.7
229.19476	9.0
231.17387	1.8
233.19023	6.7
237.16339	1.7
241.19553	2.9
243.21022	1.8
247.20508	2.1
255.21089	4.2
257.22525	3.2
259.20743	2.3
259.24286	2.0
267.21051	6.0
273.22070	2.1
281.22531	1.7
283.24094	3.7
285.22028	3.5
286.02731	1.5
299.23700	2.1
301.25214	3.5
303.23096	4.6
315.18155	1.9
337.28821	3.0
423.36670	16.8
441.29340	3.0
441.37747	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	441.3724
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05502	11.7
57.07065	8.4
63.30296	3.0
67.05494	19.6
68.50922	2.5
69.05255	2.7
69.07062	36.7
70.82735	7.5
71.59696	2.6
79.05485	8.8
81.06580	3.6
81.07055	54.3
83.08620	10.3
85.06520	3.2
91.05483	9.0
93.07033	27.1
95.08599	100.0
97.10149	9.3
99.08112	2.5
105.07045	19.3
107.08588	47.9
109.06499	2.8
109.10146	73.1
109.10828	5.6
111.08090	3.9
111.11720	13.3
114.57413	2.5
117.07045	4.3
119.08579	44.8
121.10137	50.2
123.08074	5.0
123.11685	29.5
125.13229	2.7
129.06927	2.9
131.08572	13.1
133.10143	26.6
135.11685	29.7
137.13261	17.1
143.08542	8.3
144.09363	3.4
145.10124	17.9
147.11690	16.7
149.09624	3.6
149.13258	21.2
157.10135	9.1
159.11702	26.4
161.09601	4.5
161.13264	19.7
163.14825	12.6
171.11700	11.2
173.13251	16.2
175.14789	17.0
177.16360	13.0
184.12445	4.5
185.13281	6.5
187.14821	12.2
189.16386	16.7
191.14195	4.0
191.17949	28.8
193.15921	3.3
193.19496	5.0
199.14883	10.7
201.16382	10.6
203.17969	15.1
205.15889	6.5
205.19550	20.2
207.17564	4.8
213.16350	13.5
215.17969	10.0
217.15929	6.9
217.19551	12.9
219.17432	5.6
219.21065	4.2
221.15222	3.7
227.17885	3.9
229.19394	5.8
231.17429	10.0
231.21042	3.3
235.16942	17.8
241.19429	4.5
245.18999	3.5
249.18518	5.3
269.22656	3.3
323.27448	3.9
335.27237	3.9
405.35153	65.3
423.36337	48.8
441.37347	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	441.3726
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03938	1.3
55.01876	1.1
55.05510	15.2
57.07067	6.2
67.05504	25.9
69.03431	4.3
69.07063	31.5
69.62007	8.1
71.04996	2.1
71.08643	1.7
79.05487	12.9
81.07054	56.8
83.04961	2.0
83.08615	10.8
85.06572	2.3
87.04488	1.9
87.99928	1.0
91.05476	13.2
93.07039	38.7
93.07623	2.2
94.07362	1.3
95.04977	4.1
95.08604	98.3
97.06538	3.3
97.10161	6.5
99.08091	1.1
105.07023	25.5
105.07671	1.9
107.04955	1.6
107.08588	61.3
108.08956	1.8
109.06511	6.5
109.10152	66.4
111.08108	4.8
111.11700	10.1
113.09672	2.2
117.07057	3.8
119.08575	45.7
121.06527	2.1
121.10138	54.5
122.10477	1.4
123.08080	6.3
123.11707	45.8
125.09661	4.7
125.13294	1.3
127.11179	1.6
129.07054	1.4
130.07773	1.1
131.08563	8.6
133.10127	34.5
135.08087	7.3
135.11690	30.8
137.09612	2.4
137.13264	16.4
139.11169	8.1
143.08571	5.5
145.10121	23.8
147.11665	18.4
149.09650	5.7
149.13246	26.4
150.13568	1.4
151.11240	4.3
151.14873	3.0
155.08582	1.2
157.10141	7.0
159.11693	18.8
160.12350	1.1
161.09636	2.7
161.13261	15.6
163.11188	13.6
163.14806	14.9
165.12888	1.3
167.10767	2.7
169.12329	1.5
170.11072	1.2
171.11685	7.0
173.13254	14.0
175.11259	3.3
175.14818	16.2
177.02264	1.1
177.12779	5.8
177.16370	14.4
179.14391	4.4
179.17831	1.3
183.11781	2.5
185.13353	4.8
187.14822	24.9
189.12772	1.7
189.16385	22.6
191.14233	6.3
191.17940	16.3
191.19562	1.2
193.15948	1.5
197.13341	1.6
199.14798	7.8
201.16360	10.3
203.14331	6.4
203.17946	11.6
203.19405	1.0
205.15881	17.0
205.19527	10.3
207.17455	6.1
209.15483	2.0
211.14920	1.3
213.16385	9.2
215.17960	10.2
217.15913	8.5
217.19461	10.1
219.17554	4.0
219.21106	2.1
225.16551	1.7
227.17957	7.0
229.19608	4.7
231.17554	4.5
231.21046	2.1
233.19089	3.3
235.16867	7.7
239.18050	1.4
241.19574	4.7
243.21179	4.7
245.19072	4.3
245.22838	4.5
255.21230	3.3
257.22729	3.1
259.20639	2.4
259.24207	8.2
263.20273	2.3
267.21042	2.7
269.22736	3.4
271.20953	1.6
271.24185	2.3
273.22134	2.0
273.25903	4.3
281.22714	1.6
283.24182	11.0
287.23798	1.9
295.24277	1.6
297.25891	3.9
299.23877	1.6
301.25244	17.8
303.23199	2.7
313.25415	2.1
317.24731	1.1
325.28851	1.2
327.26904	1.9
331.26416	1.8
367.30298	1.4
405.35144	24.1
405.40067	1.6
423.36386	42.6
424.37082	2.0
441.37512	100.0
442.38025	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3724
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
52.95365	1.7
55.05505	8.9
57.07060	4.0
67.05503	21.0
69.07064	22.2
70.78654	5.3
74.50749	1.7
79.05476	8.8
81.07051	35.3
81.98041	2.0
83.04964	2.4
83.08622	8.9
83.69738	1.8
83.99356	1.7
91.05490	5.7
93.07036	25.3
95.08604	92.4
97.06522	2.1
97.10176	7.1
99.08083	2.0
105.07011	14.9
107.08586	33.7
109.06518	1.9
109.10152	98.5
111.08072	2.3
111.11679	8.8
119.08578	20.4
121.10136	51.7
123.08072	8.9
123.11694	26.4
131.08566	5.6
133.10114	25.1
133.10945	2.3
135.08102	1.9
135.11678	27.4
137.13263	12.8
143.08601	3.9
145.10124	10.2
145.11127	1.9
147.11725	11.6
149.09625	22.5
149.13251	24.7
151.11201	4.4
151.14836	3.4
157.10164	6.1
159.11661	11.4
161.13251	9.5
163.11214	3.1
163.14822	15.7
167.10661	4.7
171.11688	6.8
173.13327	8.9
175.11195	2.1
175.14780	14.8
177.12846	3.7
177.16367	10.3
184.12495	2.4
185.13289	7.7
187.14783	10.2
189.16420	8.1
191.14359	2.8
191.17960	10.5
199.14828	10.9
201.16327	10.1
203.14310	3.2
203.17950	9.8
205.15865	9.0
205.19528	42.3
213.16418	6.3
215.17995	4.2
217.15945	5.8
217.19589	6.5
219.17552	5.4
219.21086	9.4
224.38557	2.3
225.16376	2.7
227.17989	4.7
229.19595	5.9
231.17447	5.2
231.21127	6.1
233.19038	3.3
235.16989	6.5
241.19501	4.4
242.52002	1.8
243.21234	3.4
245.19093	2.4
249.18562	5.8
257.22870	2.4
267.21207	3.2
267.36841	1.9
297.25830	3.4
365.32199	2.1
405.35110	37.1
406.35379	2.5
423.36221	65.4
441.37335	100.0
442.37497	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3724
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05523	17.4
57.07064	8.0
59.77297	2.6
67.05504	29.5
69.03387	5.0
69.07060	30.1
69.64036	14.5
69.64467	11.7
79.05484	12.0
81.07056	57.1
83.08599	10.0
91.05473	13.8
92.36360	3.2
93.07033	37.3
95.04968	3.5
95.08600	100.0
97.10186	8.8
105.07020	20.4
107.08593	54.5
109.06433	3.4
109.10146	67.1
111.08096	3.6
111.11708	6.9
119.08585	45.8
121.06522	3.1
121.10144	58.3
123.08080	4.5
123.11693	31.0
131.08537	13.1
133.10129	32.3
134.10597	3.5
135.08089	3.0
135.11703	23.3
137.13226	15.1
143.08549	7.3
145.10104	17.3
147.07976	4.4
147.11665	17.3
149.13251	21.4
151.14732	3.9
157.10153	12.1
159.11664	21.8
161.09601	3.3
161.13255	13.2
163.14893	15.2
171.11716	9.6
173.13287	17.4
175.14801	15.7
177.16364	10.5
182.51830	3.5
185.13272	6.2
187.14828	14.5
189.16388	10.8
191.17920	17.1
193.15854	3.9
193.19519	3.1
199.14827	5.3
201.16429	7.2
203.17957	8.0
205.19545	15.6
207.17380	3.6
211.14746	3.6
213.16324	8.9
215.17934	5.2
217.16013	4.7
217.19547	5.8
219.17429	4.7
219.21075	5.6
229.19493	4.1
231.17570	6.9
231.21057	12.1
235.16931	14.1
241.19576	4.4
243.21030	4.6
245.22728	11.4
249.18489	5.0
267.21179	3.2
269.22562	4.8
395.36105	3.7
405.35144	59.2
406.35617	6.4
423.36212	49.9
440.51410	3.4
441.37320	92.1
442.38010	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	441.3724
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05500	1.3
56.39304	0.3
57.07069	0.8
61.49955	0.3
67.05499	2.2
67.52318	0.2
69.03414	1.0
69.07065	3.1
71.33269	0.5
71.33601	0.3
79.05474	1.1
79.05927	0.3
80.72260	0.3
81.07056	5.4
83.04979	2.0
83.08605	1.3
91.05486	1.3
93.07043	3.3
95.04969	0.6
95.08604	11.7
97.06508	0.7
97.10147	0.8
105.07008	2.0
107.08588	6.7
109.06506	1.2
109.10152	6.6
111.08073	0.7
111.11711	1.5
119.08578	3.8
121.06521	0.7
121.10139	6.0
123.08049	1.3
123.11696	3.8
125.09618	0.7
131.08591	0.7
133.10139	2.9
135.08057	1.6
135.11697	5.3
137.09656	0.8
137.13252	2.1
139.11195	0.5
145.10139	1.2
147.11687	2.0
149.09613	8.3
149.13277	1.7
151.11201	0.5
151.14796	0.4
157.10106	0.5
159.11691	1.2
161.09650	0.5
161.13312	1.4
163.11188	0.9
163.14857	1.1
173.13277	1.1
175.11220	0.3
175.14803	1.9
177.12785	0.6
177.16371	2.4
179.14261	0.3
185.13321	0.6
187.14845	0.9
189.16331	3.1
191.17924	3.1
201.16357	0.8
203.17969	0.4
205.15877	0.3
205.19524	1.1
207.17371	0.5
213.16325	0.5
215.17924	2.1
217.15852	0.4
217.19632	0.4
227.17886	0.4
231.17554	0.5
233.18961	3.9
235.16887	1.9
243.21216	0.3
245.19058	0.5
247.20863	0.3
261.22232	0.5
263.20023	0.4
269.22604	0.7
271.24042	0.3
273.22202	0.3
287.23666	5.2
317.11865	0.3
367.05505	0.3
405.35342	0.5
423.36365	1.6
441.37262	100.0
442.37631	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	441.372
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
55.05492	7.3
57.07070	1.9
64.96098	1.6
64.97134	1.6
67.05504	17.2
69.07063	15.9
69.95528	10.7
79.05495	5.0
80.12231	1.6
81.07052	26.7
83.08623	6.0
91.05484	2.5
93.07034	17.9
95.08602	72.2
97.10178	3.0
105.07008	6.1
107.08589	27.5
109.10155	49.6
111.11700	5.5
119.08583	9.5
121.10135	21.1
123.08050	2.8
123.11712	15.3
123.12531	2.3
133.10143	7.9
135.08069	2.9
135.11681	16.8
137.13261	8.2
145.10098	3.1
147.11687	6.6
149.09666	2.2
149.13251	21.7
159.11665	2.2
161.13232	5.1
163.11078	2.1
163.14815	7.8
167.67018	2.0
173.13275	4.3
175.14818	5.7
177.12753	4.9
177.16367	4.5
189.16373	4.0
191.17912	2.4
201.16362	2.2
203.14439	2.3
203.18004	3.2
205.15921	9.3
205.19501	20.0
215.17908	2.6
217.16011	3.5
219.17438	8.2
219.21039	3.7
405.35083	4.9
423.36319	12.7
441.37280	100.0
442.37607	4.6
459.54761	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3726
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
53.03942	2.0
55.05507	4.3
57.07053	2.4
62.49704	1.5
63.37169	1.3
67.05499	13.2
69.07061	11.3
71.20642	1.8
71.20975	2.7
79.05482	12.7
81.07050	27.1
83.08601	3.8
91.05492	9.3
93.07037	38.0
95.04947	4.5
95.08601	55.0
97.10168	3.0
105.07014	13.3
107.08578	25.1
109.06475	1.7
109.10149	48.1
111.11718	4.5
119.08575	6.5
121.10133	69.1
123.08079	1.9
123.11695	23.2
131.08551	2.4
133.10107	3.8
135.08075	2.0
135.11687	11.4
137.13239	7.2
139.11165	4.8
145.10205	2.9
147.11642	3.3
149.09605	100.0
149.13226	19.8
150.09976	1.5
151.11183	10.5
159.11722	2.8
161.13225	2.2
163.11169	5.7
163.14806	19.6
167.10709	11.1
173.13359	1.6
175.14810	4.7
177.12769	5.9
177.16383	2.5
187.14777	2.5
189.12654	1.6
189.16389	1.8
191.17993	1.7
192.23439	1.6
201.16313	1.6
203.14340	3.7
205.15860	28.6
205.19460	9.5
217.15933	2.7
217.19635	1.7
219.17595	9.0
219.21048	21.4
239.10292	1.4
245.18910	2.0
259.20758	1.3
290.50134	1.3
395.36621	1.6
405.35159	1.7
423.36182	52.5
441.37228	87.5
442.37546	2.4
452.49249	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3727
Annotation	CHEBI:67942
Peak:m/z	Relative Intensity
55.05503	8.3
57.07062	5.4
58.18741	4.2
67.05495	14.6
69.07056	18.0
71.59849	4.5
81.07039	35.2
83.08656	5.9
87.00119	4.5
93.07038	12.1
95.08601	54.9
97.10159	5.5
105.07036	12.6
107.08598	33.1
109.10156	45.0
111.11678	6.4
119.08555	18.8
121.10142	29.8
123.11700	17.4
133.10139	17.9
135.11658	24.5
137.13242	19.0
147.11696	12.0
149.09540	4.4
149.13220	12.3
159.11697	5.9
161.13232	11.2
163.14809	8.4
167.10692	7.1
173.13190	4.7
177.16412	8.4
189.16434	5.5
191.17966	6.4
195.13809	5.1
201.16235	4.7
203.17905	5.4
205.19536	15.1
217.19472	6.8
223.16995	5.9
231.21051	10.3
245.22632	23.9
257.22610	5.3
271.24170	10.2
271.98691	4.9
285.25638	8.1
347.21335	4.4
423.35919	7.2
423.43942	5.5
441.37308	100.0
441.44650	16.4
465.63748	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3725
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05497	16.8
57.07074	6.7
67.05500	24.4
69.07064	32.6
69.07404	2.8
69.29889	9.0
69.30310	21.1
73.29298	2.3
79.05503	11.2
81.07050	57.9
83.08633	12.9
86.98512	2.3
91.05499	8.5
93.07027	26.7
95.08598	92.8
97.06545	3.0
97.10207	9.9
99.08111	2.4
105.07030	20.6
107.08585	52.3
107.09281	3.8
108.09032	2.6
109.06519	4.2
109.10152	65.3
111.08112	3.7
111.11755	11.7
117.07023	2.8
119.08569	37.3
121.10130	46.3
121.10898	4.2
123.08072	4.4
123.11697	39.6
131.08568	13.8
133.10112	25.6
135.08080	4.0
135.11679	29.3
136.49770	2.2
137.09653	3.0
137.13246	18.1
143.08589	8.2
145.10121	17.6
147.11644	13.8
149.09581	5.9
149.13272	21.7
151.14883	3.4
156.09325	4.3
156.14542	2.6
157.10086	16.7
159.11702	18.3
161.09685	5.0
161.13228	20.8
163.14810	18.5
165.12837	4.3
169.10159	2.8
171.11736	10.9
173.13242	20.9
175.11235	2.6
175.14803	17.4
177.16447	11.2
179.14372	5.4
183.11682	3.8
184.12581	5.1
185.13275	8.1
187.13431	3.0
187.14792	15.6
189.16339	13.7
191.17934	21.9
193.19527	19.6
199.14850	12.5
201.16385	6.2
203.17976	7.4
205.15950	4.4
205.19492	15.5
207.17473	3.7
210.59660	2.7
213.16487	11.6
215.18031	6.1
217.15948	11.1
217.19603	10.5
219.17552	5.9
219.21198	6.9
227.17969	4.3
231.17427	12.8
231.21091	19.3
235.16896	18.3
241.19537	5.4
245.22710	4.6
249.18626	3.1
257.22781	3.6
269.22733	16.8
277.21826	4.2
295.24384	3.3
309.26135	2.9
313.29095	3.3
323.27780	4.2
345.27997	7.2
365.32037	3.6
405.35162	59.1
405.40280	4.6
423.36334	44.2
441.15915	3.8
441.28125	4.9
441.37469	100.0
442.37683	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	441.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	22.0
57.07066	12.8
67.05496	27.9
69.07056	44.7
69.91497	32.2
74.81475	5.4
79.05484	23.9
81.03380	5.5
81.07051	62.8
83.08619	16.2
83.17255	5.2
91.05456	35.9
93.07030	48.5
95.04956	10.9
95.08600	79.5
97.06521	9.5
97.10142	7.2
105.07026	46.8
107.08586	71.6
109.06517	14.7
109.10137	59.6
111.08096	12.4
117.06990	11.9
119.08574	68.6
121.10136	59.2
123.08069	13.9
123.11700	21.0
125.09618	12.2
129.06969	6.7
131.08546	41.3
133.10114	51.4
135.08052	13.7
135.11685	24.2
137.09612	12.4
137.13243	7.6
143.08537	19.5
144.09317	7.6
145.10098	58.4
147.08086	6.6
147.11684	36.4
149.09583	13.1
149.13251	60.2
153.01724	7.1
155.08499	10.6
157.10106	25.0
158.10873	18.9
159.10500	6.1
159.11667	28.5
161.13239	28.0
163.14824	49.7
169.10066	13.3
171.11656	21.9
172.12503	9.1
173.09578	10.0
173.13240	62.0
175.14812	100.0
175.16252	8.2
177.16364	83.0
179.14220	9.5
185.13289	16.4
187.14824	38.4
189.12721	13.1
189.16388	38.6
191.17957	7.3
193.15895	20.9
197.13243	25.8
199.14839	10.4
201.16393	20.2
203.14259	6.4
203.17949	21.5
205.15846	8.2
211.14717	10.9
213.16393	11.8
215.14322	30.0
217.15857	6.2
217.19481	9.8
223.14822	8.7
227.14388	7.2
229.15758	8.7
233.15381	27.9
243.20988	7.6
245.15428	11.7
247.16965	7.9
251.16341	34.9
259.24368	8.5
259.82101	6.0
331.15503	6.3
331.26303	10.2
334.85309	5.7
349.27420	6.6
365.28082	6.0
368.18646	6.8
377.32257	7.3
377.40646	5.7
387.30414	13.1
405.31635	31.1
423.32248	76.9
429.34537	7.0
441.33640	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	22.1
57.03426	4.3
57.07061	13.0
67.05499	27.8
69.03415	5.1
69.07066	55.3
70.46098	6.2
70.46497	6.4
71.04987	7.3
71.08627	22.4
79.05505	22.5
81.07052	67.1
83.05006	3.7
83.08610	14.6
85.06528	9.3
85.10172	12.6
89.06024	30.6
91.05469	23.7
93.07036	57.1
95.04978	8.0
95.08601	100.0
97.06532	9.2
97.10166	4.8
99.08099	6.1
101.06020	4.0
103.05462	3.4
105.07032	33.8
107.08591	78.2
109.06508	11.2
109.10144	81.7
111.08073	9.7
111.11707	13.6
112.79919	3.0
113.06018	4.3
117.07005	7.5
119.08569	56.6
121.06484	29.8
121.09305	6.6
121.10137	78.8
123.08051	11.3
123.11700	34.0
125.05955	3.8
125.09616	14.6
131.08548	24.9
133.06487	6.4
133.08592	17.3
133.10117	47.0
135.08086	10.8
135.11676	47.5
137.09586	9.9
137.13261	14.6
139.07510	8.0
139.11186	4.2
143.08542	6.8
144.09294	4.2
145.10117	23.9
147.08041	9.2
147.11696	31.8
149.09628	17.9
149.13292	24.7
150.03183	3.5
151.11195	4.2
151.14815	4.2
153.09138	6.1
157.10138	11.8
158.10890	4.2
159.11688	39.0
161.09586	3.3
161.13242	23.2
163.11130	8.3
163.14825	30.4
165.09120	13.9
165.12805	4.5
167.14293	3.6
169.10071	5.1
171.11668	12.8
173.13260	33.3
175.11151	5.5
175.14839	11.4
177.11249	5.0
177.12708	5.9
177.16347	20.3
183.11630	3.2
185.13364	6.6
187.14830	11.6
189.12761	9.4
189.16348	16.1
191.14326	22.5
191.17952	56.5
195.11710	4.0
195.13834	5.2
197.13272	4.2
199.14853	8.1
201.12718	9.9
201.16409	12.4
203.14368	5.6
203.17943	51.4
205.15868	8.0
205.19514	10.5
207.13844	3.3
207.17435	4.8
213.16295	5.7
215.14293	10.9
215.18056	10.1
217.19498	13.9
219.13792	13.9
219.17413	3.9
225.16289	3.5
227.17899	5.0
229.19563	7.8
231.17455	5.3
233.15578	3.9
237.14929	8.8
245.15224	5.1
245.19075	4.4
247.20528	5.1
251.18135	3.7
255.21204	4.9
257.22687	3.5
269.22525	5.3
285.21747	3.6
291.23044	7.9
295.20660	3.5
299.20255	3.6
305.22733	3.3
313.21591	19.7
315.17950	13.5
327.23163	6.7
345.24164	7.7
398.32361	3.6
405.31284	16.0
423.32321	40.6
441.33026	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2459
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
52.98749	0.3
53.03934	0.5
53.90870	0.3
55.05507	0.9
56.96563	0.4
64.96574	0.3
67.05499	0.7
69.03423	0.8
69.07063	0.5
69.85036	0.3
69.95471	1.2
69.95893	0.5
71.05003	0.3
73.02908	0.6
75.18822	0.3
79.01866	0.4
79.05473	0.6
81.03442	0.6
81.07046	1.1
83.04967	0.4
85.02907	1.4
88.27805	0.3
91.05484	0.8
93.07050	0.9
95.04974	0.4
95.08591	0.9
97.02888	1.0
98.20744	0.3
98.97631	0.4
99.04442	0.7
105.07044	0.8
107.04944	0.5
107.08601	0.7
109.02896	0.5
109.06535	0.3
109.10132	0.6
115.03840	0.3
115.05396	0.3
119.05007	0.3
119.08585	0.5
121.10142	0.7
123.04440	1.4
124.04839	0.4
125.02354	0.3
125.09666	0.3
127.03906	0.6
131.08588	0.5
135.07988	0.5
135.11728	0.6
137.06021	0.3
139.03897	1.2
143.08548	0.3
145.04956	0.4
145.10092	0.4
147.04419	0.5
149.05969	0.5
151.03923	0.3
153.01831	3.5
157.10086	0.5
163.03932	0.5
163.06033	0.3
167.07019	0.6
179.03426	0.7
181.35953	0.3
187.49890	0.3
191.03404	0.6
203.05232	4.1
205.07573	4.8
232.09724	0.7
233.07152	2.7
244.10652	0.3
251.08147	3.8
252.08519	0.3
261.18430	0.9
271.05948	0.6
273.03937	0.7
279.07645	9.3
279.16022	0.6
279.19388	0.9
280.08136	0.6
285.07666	0.6
380.78641	0.3
384.12363	0.7
394.99414	0.4
423.23831	0.8
441.24646	100.0
442.25162	2.8
445.17548	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.8
55.01878	2.0
55.05511	16.1
56.00633	1.7
57.03421	5.0
57.07064	6.9
59.04985	1.6
61.02905	4.4
61.73638	1.6
65.03934	1.9
67.05504	25.4
69.03419	20.8
69.07065	30.4
70.76572	6.0
71.04980	4.2
71.08622	3.5
73.02916	2.1
73.71796	1.5
79.05486	16.4
81.03417	11.7
81.07051	100.0
83.04977	5.2
83.08614	12.8
85.02900	60.8
85.03308	1.0
85.03427	1.9
85.06538	9.2
85.96354	1.5
91.05473	8.5
93.07029	21.7
95.04951	7.2
95.08601	77.9
97.02881	15.2
97.06532	2.5
97.10169	12.0
99.04453	4.8
99.08067	8.1
105.07010	12.3
107.08588	23.7
109.02867	5.2
109.06498	4.5
109.10148	42.8
111.08007	1.9
111.11689	9.1
117.07020	3.6
119.08575	13.3
121.06540	2.6
121.10125	15.6
123.04403	5.4
123.08014	3.0
123.11674	16.1
124.27674	1.6
125.09633	7.1
125.13241	3.6
127.03926	14.1
129.05409	2.2
131.08565	7.0
133.10120	8.7
135.08003	2.6
135.11685	13.4
137.13257	11.3
141.65863	1.7
143.08522	4.7
145.04938	7.0
145.10110	6.6
146.35204	2.2
147.08101	2.9
147.11697	5.9
149.09671	2.3
149.13248	11.9
150.09081	8.8
151.07520	3.6
151.09445	5.6
151.11205	2.3
151.14793	6.3
153.01854	4.2
155.10605	1.9
157.10126	4.2
159.11659	3.4
161.09555	1.9
161.13246	4.7
163.14796	6.9
165.09111	2.3
165.16417	2.7
171.11743	2.4
173.09599	3.0
173.13185	3.8
173.75778	1.7
177.16396	4.0
179.17941	2.5
183.11726	2.4
185.13309	1.9
187.14871	3.1
191.10634	3.3
261.25720	7.3
277.25183	5.0
279.26843	34.8
295.26419	2.1
303.26831	2.1
307.55814	1.8
319.26434	1.8
321.27640	1.9
331.25824	1.8
369.27832	7.2
387.29108	8.5
393.68228	1.9
405.29938	10.7
423.30957	6.2
441.24658	10.3
441.30954	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01049	0.5
63.35669	0.5
69.64694	0.8
69.65105	2.9
70.06599	0.7
79.01878	0.6
81.03409	2.5
85.02900	0.7
86.09715	0.6
89.20522	0.5
91.05476	0.6
95.01101	1.4
97.02917	0.7
109.02857	0.8
112.01320	0.7
113.02141	1.5
123.04431	1.0
125.02404	1.0
127.03909	34.6
128.04305	0.6
131.00542	0.5
143.03427	1.9
147.04388	1.1
153.01822	24.5
171.02957	1.9
179.03456	0.7
185.04178	2.8
189.05252	0.6
201.03815	0.7
203.05286	0.8
204.07614	1.8
259.07950	0.7
279.13370	1.0
289.03610	0.9
297.06079	2.8
315.07288	1.4
441.17422	100.0
442.17908	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	441.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
63.77102	0.8
65.03924	1.8
67.05486	0.9
69.03436	1.3
69.55387	4.3
69.55805	3.2
79.03619	0.9
79.05488	2.3
83.10377	0.9
84.63979	0.9
85.02919	1.3
91.05482	5.3
93.07031	1.3
93.15806	0.9
93.44515	0.9
94.04172	2.0
94.92417	0.9
95.04952	1.5
95.08591	1.0
101.98476	0.9
103.05466	2.9
105.07042	3.1
107.04951	2.3
107.08640	1.1
109.06510	1.1
111.04427	2.3
115.05461	2.6
117.06998	3.0
119.04949	3.9
121.06468	2.1
122.03632	7.0
123.04387	1.4
123.08083	1.8
128.06232	2.3
129.06973	4.6
131.04918	6.9
131.08556	1.8
133.06496	2.2
135.08063	1.7
137.05972	100.0
138.03798	0.9
138.06306	1.8
139.03915	3.4
143.04939	1.8
143.08617	1.7
145.06479	4.2
146.03656	1.3
147.04375	2.8
147.08026	1.8
149.05980	3.7
151.03932	5.6
151.07535	20.7
153.01852	5.1
153.05501	1.9
153.06946	1.1
155.04916	1.2
155.08527	1.4
157.06480	3.0
159.08051	1.8
160.05165	2.4
161.06030	7.7
163.03928	1.5
163.07527	9.5
165.05455	4.3
165.09120	6.0
167.07076	1.3
169.06519	1.5
171.08018	2.3
173.06044	1.0
174.06761	4.5
175.07526	20.6
177.05533	4.4
177.06873	1.1
177.09081	6.4
179.06963	5.1
181.05046	1.2
181.06488	2.2
182.07301	1.0
183.08073	1.7
184.05304	1.0
185.05998	1.4
185.09689	1.3
187.07489	6.2
188.08353	2.0
189.05504	1.6
189.09067	12.4
191.06990	5.9
191.10725	1.8
193.07059	1.0
193.08533	5.7
195.08447	1.7
195.10159	10.3
197.09592	1.8
198.06685	1.2
199.07472	6.0
201.09052	5.3
203.07048	4.2
203.10609	2.0
205.06734	0.9
205.08554	4.0
207.10060	1.1
209.08043	2.8
211.07628	1.2
213.09048	5.4
215.07030	3.2
215.10666	2.1
217.08565	10.5
218.07224	1.1
219.08070	2.2
219.10201	6.6
221.07954	1.5
225.09090	1.9
229.08591	2.6
231.08121	1.7
231.10229	3.0
233.08035	2.3
233.11722	20.3
235.09694	2.6
237.11299	1.7
241.08530	7.3
241.12202	1.0
245.11795	1.9
247.07507	1.9
247.09708	1.2
248.08252	1.0
249.09021	2.2
249.11261	3.0
257.11890	1.1
259.09637	2.4
260.08182	1.3
261.09106	2.4
261.11240	4.7
262.09686	1.5
263.10468	1.4
263.12900	1.7
264.07715	1.1
265.08624	1.5
267.10098	1.7
270.10324	1.3
273.03870	4.1
273.08975	1.8
273.11542	1.2
274.09995	1.5
275.10446	1.6
276.07916	1.6
276.11276	1.1
277.08685	3.4
277.11984	1.1
278.09421	1.9
279.09897	1.4
279.15646	1.7
283.09906	1.3
285.08844	1.7
287.10254	1.5
288.11258	0.9
290.09448	2.7
291.10123	4.2
291.13690	1.3
293.08066	1.5
293.11588	1.3
297.11234	1.4
299.12787	2.9
302.09335	1.9
303.10095	3.7
303.13449	1.3
305.08279	1.8
305.11432	4.3
306.08969	1.8
307.09546	2.3
308.10416	1.5
309.11218	3.7
311.12863	4.8
315.10049	1.3
317.11716	4.0
319.09674	1.4
319.13281	1.6
320.10385	1.2
321.11023	6.1
323.12881	4.6
325.14322	2.5
328.13141	1.6
329.11548	1.5
331.09775	1.7
331.13367	4.7
332.10461	1.4
333.11218	2.5
334.11734	1.2
335.12802	6.1
336.13470	1.3
337.14453	5.2
343.15393	2.3
347.12830	2.6
349.14352	2.6
353.13895	2.8
355.15344	3.5
361.14249	2.5
362.15134	1.6
363.15784	4.5
363.83682	1.0
365.13852	8.2
366.14563	1.3
367.15506	7.8
369.17126	1.0
373.14258	1.7
379.15411	4.7
381.16934	6.3
383.14816	2.5
391.15515	2.5
395.18591	5.0
397.16464	3.9
399.17966	1.1
405.16724	8.5
418.12503	1.3
423.17975	19.1
441.19287	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	441.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.2
51.02367	0.5
53.03926	0.7
55.01861	0.3
55.02679	0.2
69.03431	1.5
70.93820	0.4
71.04964	0.3
79.01855	2.1
81.03416	5.1
83.01077	0.2
83.41648	0.2
85.02898	2.0
87.00825	0.2
88.99851	0.2
95.01057	0.2
97.02888	3.3
99.04428	0.5
99.05049	0.2
101.82909	0.2
107.01333	1.0
109.02880	3.7
109.03605	0.1
113.02111	0.4
123.04424	0.5
125.02339	3.0
127.03910	100.0
128.04259	1.1
128.07150	0.2
139.03841	0.4
143.03403	4.7
145.04976	0.8
151.03897	0.2
153.01822	66.7
154.02150	0.9
163.03920	0.2
171.02875	6.0
179.03410	0.2
185.04208	0.4
188.76961	0.2
189.43349	0.2
191.03430	0.2
194.04520	0.2
204.07608	0.3
205.08469	0.2
251.92831	0.2
271.06140	0.2
273.04004	0.2
279.08777	0.3
279.13614	0.3
289.09457	0.3
297.06046	7.1
315.07104	3.0
410.23703	0.2
423.07462	0.3
441.17511	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	441.1364
Annotation	Ginkgolide C
Peak:m/z	Relative Intensity
63.58407	0.3
77.78956	0.3
93.25507	0.4
98.20757	1.0
109.10114	0.4
123.04453	0.8
124.07559	0.4
136.07483	0.3
153.01790	2.5
179.03404	0.5
185.04211	0.5
225.27982	0.4
263.05264	3.4
264.05948	0.4
271.06046	0.7
278.07611	5.0
279.08408	10.3
298.17767	0.4
441.13657	100.0
442.14069	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	441.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01841	0.5
59.67973	0.3
69.03429	1.6
69.67146	0.4
70.06586	0.7
70.93608	0.5
70.93951	0.7
79.01837	3.2
81.03413	6.1
85.02910	2.3
86.09696	0.4
91.05388	0.3
95.01085	0.8
96.01842	0.4
97.02885	3.5
99.04423	0.9
107.01279	0.7
109.02887	3.4
109.65099	0.3
113.02104	0.7
121.10163	0.3
123.04433	1.2
125.02330	2.5
127.03907	100.0
128.04250	1.0
139.03902	0.6
143.03375	5.6
145.04932	0.8
147.04448	0.6
153.01819	70.4
154.02202	1.1
157.63927	0.3
163.03932	0.7
171.02876	6.4
179.03415	1.1
185.04272	1.1
187.03850	0.4
203.05293	0.4
204.07678	1.1
223.02432	0.4
245.04660	0.3
259.07861	0.5
261.04059	0.6
271.06042	0.9
273.03955	0.6
277.03442	0.5
279.04077	0.6
279.13239	0.6
281.03854	0.3
297.06052	6.3
300.56641	0.4
315.07007	2.5
423.07330	0.4
441.17480	42.2
442.17667	0.5
443.91901	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
55.05501	0.6
56.29279	0.3
56.96556	0.5
61.02913	0.7
67.05500	1.3
69.03408	0.8
69.07062	1.0
70.04562	0.3
70.04872	1.4
79.05497	0.6
81.03405	0.6
81.07037	1.7
82.07379	0.3
83.04948	0.5
83.08600	0.7
84.08920	0.3
85.02885	1.8
89.06010	0.9
91.03892	0.3
91.05473	0.9
92.05790	0.3
93.07029	1.1
94.06558	2.1
95.04967	0.5
95.08594	1.2
96.04469	0.4
97.02868	1.0
97.10130	0.4
98.06031	0.4
99.04410	0.3
105.07018	1.3
107.08553	0.8
108.08072	0.5
109.06548	0.4
109.10134	1.1
114.09151	0.3
119.08572	1.2
121.10105	0.6
122.06052	2.7
122.09624	0.4
123.04440	0.3
123.11716	0.4
127.03863	0.4
131.08577	0.4
133.08595	0.4
133.10120	1.0
135.11638	0.3
136.07581	0.4
140.07083	1.5
145.10135	0.3
147.11658	0.7
151.07639	0.3
157.10202	0.3
161.13211	0.4
165.09082	0.4
175.11266	0.3
175.14795	0.9
189.16371	0.6
214.18039	0.3
232.20605	2.0
250.21678	2.5
256.13556	0.3
260.20087	15.5
278.21127	100.0
279.21472	2.5
440.27042	1.1
441.25336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96955	1.8
53.03936	3.4
55.01854	7.8
55.05514	10.6
57.03435	14.6
59.05001	1.8
61.02924	15.9
63.83578	1.7
67.05499	3.8
69.03426	35.8
69.07064	63.4
70.10284	3.0
70.10692	6.8
71.01348	4.5
71.04977	2.6
73.01115	1.7
73.02914	93.3
79.05482	3.2
81.03419	9.9
81.07051	5.7
85.02900	100.0
85.95205	1.8
87.04472	5.7
89.22382	2.1
91.03935	2.9
91.05463	3.9
93.07029	3.5
95.04965	2.6
95.08576	3.5
97.02883	66.2
98.20831	2.4
99.04456	4.4
103.03951	3.2
107.04961	3.3
109.02873	6.8
109.06509	2.6
111.11720	34.7
115.03935	31.3
121.06535	2.6
123.04445	5.1
123.11700	2.9
123.42180	1.7
127.03910	33.7
132.06555	1.8
133.04958	42.4
133.10197	2.8
135.08057	6.0
139.03903	3.6
141.93889	1.8
143.03397	2.2
145.04961	46.2
145.06123	2.8
150.07611	3.8
153.01851	11.8
153.12733	2.6
163.03966	2.4
163.05989	24.8
179.03459	2.1
180.08899	2.5
181.05084	1.9
184.07431	2.6
190.77296	2.0
193.05067	2.1
199.06052	2.4
205.05032	2.1
205.06961	1.8
207.13704	2.4
207.86362	1.7
217.07187	2.6
217.80392	2.0
219.02563	2.1
223.06062	10.7
241.07024	12.1
243.16045	3.8
259.08099	14.2
261.18262	2.4
262.18671	2.7
271.06128	3.0
277.09204	4.3
295.10046	4.4
422.23618	10.1
440.23474	65.6
441.20013	2.5
441.25055	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3569
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
50.16931	4.2
55.05499	12.6
57.07061	4.6
67.05490	20.9
69.03418	5.9
69.07058	24.1
69.93950	20.4
70.57844	4.4
79.05490	12.8
81.07067	38.3
83.08585	10.0
91.05469	8.6
93.07053	22.7
95.08604	51.2
97.10162	6.9
105.07027	12.9
107.08607	25.1
109.10131	37.6
111.11727	12.5
119.08569	21.5
121.10110	32.8
123.08109	6.1
123.11682	19.6
126.49412	5.2
131.08546	9.7
133.10164	24.6
135.08015	8.1
135.11673	21.3
137.13205	12.4
145.10114	12.3
147.11716	14.9
149.13205	11.3
157.10114	9.7
159.11678	15.1
161.13257	12.4
161.80045	4.4
165.08130	5.2
171.11659	11.6
173.13222	18.0
173.80147	4.3
175.14969	5.5
185.13246	7.0
187.14966	9.7
189.16420	12.4
191.17995	10.5
199.14873	7.7
203.18106	4.8
205.19560	11.1
209.13409	5.1
217.15714	5.7
217.19490	7.5
225.16406	5.6
228.76913	4.9
261.18494	5.3
263.98294	5.4
269.22528	5.7
311.23660	5.3
311.27249	5.4
403.33533	14.6
421.34692	63.0
439.35992	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3568
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03940	1.3
55.05510	6.5
57.03422	4.3
57.07051	1.5
67.05499	13.0
69.03418	1.5
69.07066	18.2
70.79189	2.9
70.79563	2.5
79.05479	7.9
81.07053	25.5
83.04986	1.3
83.08607	5.5
85.06541	1.5
87.04478	2.2
90.19003	1.3
91.05466	9.2
93.07037	23.2
95.08600	39.4
97.06550	1.7
97.10165	2.3
103.21561	1.2
105.07012	21.1
107.08589	29.9
107.09298	2.2
109.10152	26.9
111.08086	2.7
111.11709	2.2
113.09671	1.2
114.25369	1.4
117.07019	3.3
119.08577	25.5
121.10130	32.3
123.08072	4.6
123.11678	8.8
131.08548	8.9
133.10115	25.3
133.11075	1.8
135.08064	1.6
135.11707	10.9
137.09633	3.4
137.13275	2.8
141.09134	1.7
143.07564	1.5
143.08516	6.1
145.10124	11.8
147.11688	13.3
149.09676	2.9
149.12065	0.9
149.13251	25.4
151.11121	1.6
151.14787	1.5
155.08582	1.4
156.09317	1.3
157.10152	5.1
158.10811	1.6
159.11691	11.6
161.09633	2.2
161.13271	10.2
163.11057	1.5
163.14822	11.7
165.12723	19.8
169.10158	2.0
170.10852	1.8
171.11676	7.9
173.13257	10.7
175.14806	12.4
177.12801	2.0
177.16364	27.9
177.17784	1.7
179.14275	1.3
183.11681	4.0
185.13234	8.4
187.11153	1.5
187.14812	9.9
189.12660	1.6
189.16382	17.2
190.88568	1.3
191.14380	1.6
191.18004	4.3
193.15993	1.7
197.13338	1.8
199.14859	5.1
201.12814	1.5
201.16371	6.7
203.14371	3.7
203.17949	6.5
205.15916	2.2
205.19534	1.5
207.17368	2.1
209.13197	1.4
211.14769	3.1
213.16437	5.4
215.18005	5.4
217.15953	4.0
217.19577	4.8
219.17621	3.4
223.14923	1.4
225.16475	3.5
227.17972	3.4
229.19545	2.5
231.17464	1.9
233.19070	1.8
235.16928	4.3
236.77055	1.4
237.16470	2.9
239.17981	3.0
241.19536	3.1
243.17468	4.6
243.21182	3.6
245.19020	3.1
245.22714	1.8
253.19461	1.5
255.21100	2.7
257.18961	2.2
257.22803	2.0
259.20633	2.1
261.18484	7.6
263.20203	3.9
267.21045	1.9
269.22708	3.5
271.20355	1.6
273.18521	2.4
275.20078	3.1
277.21832	3.0
279.21246	1.5
287.20200	2.0
289.21533	1.9
293.22604	1.4
301.21570	1.3
311.24072	2.1
311.27472	6.3
315.23221	1.8
329.24670	1.4
363.30569	2.8
403.33514	11.8
421.34695	33.3
439.35828	100.0
440.36099	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30148	3.1
55.05503	13.3
57.03440	3.2
57.07067	9.6
65.03938	3.8
66.50786	2.9
67.05515	27.8
69.07066	41.1
71.56303	6.5
79.05489	13.4
81.07053	76.9
83.08610	11.2
87.04432	8.1
91.05472	14.1
93.07041	42.2
95.04981	7.0
95.08597	100.0
97.10159	7.7
101.69637	3.1
105.07020	32.9
107.04918	3.2
107.08590	68.4
109.06555	3.5
109.09447	5.8
109.10146	63.7
109.10836	6.0
111.11723	9.8
117.07012	5.0
119.08571	66.7
121.06429	3.2
121.10139	67.3
123.08060	4.6
123.11702	31.7
125.09601	3.9
131.08543	23.9
133.10109	45.0
135.11694	36.4
137.09648	4.3
137.13210	17.1
139.07585	3.3
139.11101	3.1
142.07748	4.7
143.08557	15.0
145.10123	31.1
147.08037	4.6
147.11668	28.6
149.09616	6.5
149.13237	25.5
156.09335	5.6
157.10144	23.2
159.11684	46.7
161.09595	9.3
161.13240	30.6
162.67189	3.0
163.14798	10.7
165.12775	6.0
169.10092	7.3
170.10933	8.7
171.11661	19.4
173.09645	3.6
173.13234	28.1
175.11113	4.6
175.14809	26.7
177.12761	9.5
177.16406	9.6
181.10152	4.1
183.11679	11.6
185.13234	17.6
187.14799	14.5
189.12724	3.6
189.16399	16.9
191.17949	27.9
193.15851	4.4
195.13788	3.5
197.13254	10.0
199.14842	17.2
201.16451	7.4
203.14339	14.4
203.17917	11.2
205.19460	4.7
211.14827	5.3
213.16315	9.8
215.17989	8.7
217.15921	8.5
217.19470	15.1
219.17389	11.4
221.15305	7.0
225.16356	10.0
228.06520	3.3
229.19475	4.6
231.17499	4.9
233.15604	4.0
235.16911	43.0
237.16591	3.1
239.17924	6.2
241.19530	4.0
243.17468	5.0
243.21361	3.7
253.19662	3.4
255.21181	5.0
261.18625	3.8
269.22672	3.6
275.20148	3.3
292.60669	3.0
295.24350	3.2
311.23593	3.7
311.27234	8.6
349.67691	3.4
353.32162	3.4
363.30508	8.2
379.33795	4.4
403.33667	16.0
421.34573	26.7
439.14511	4.7
439.35727	61.0
440.35968	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3571
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
51.07675	1.3
55.05490	6.9
57.07069	3.9
57.87044	1.3
67.05503	20.0
69.03439	2.2
69.07066	26.2
69.29749	13.6
69.30163	3.3
79.05475	7.7
81.07058	36.7
83.08611	6.0
91.05460	7.4
93.07047	19.1
95.08604	79.5
97.06518	2.1
97.10187	7.2
98.21444	2.3
99.08090	2.3
105.07042	12.0
107.08592	34.2
109.06497	3.0
109.10155	58.6
110.10516	1.5
111.08079	2.0
111.11710	11.2
119.08566	22.0
121.10136	33.7
121.78551	1.3
123.08047	6.7
123.11706	19.3
131.08556	6.6
133.10132	20.8
135.08092	1.7
135.11697	20.9
137.09625	4.0
137.13242	10.8
139.11172	2.9
141.09085	1.4
142.07817	2.0
143.08557	2.8
144.09378	1.9
145.10147	12.4
147.08002	2.0
147.11690	14.6
149.09637	3.3
149.13246	17.6
151.07639	1.4
151.11176	2.9
155.10612	1.4
156.09337	1.4
157.10126	8.3
158.10922	2.0
159.11707	15.8
161.09645	2.9
161.13226	10.0
163.11252	2.2
163.14822	6.7
165.12804	1.9
167.10730	2.3
169.10086	1.4
170.10870	2.0
171.11739	6.8
173.09648	2.1
173.13281	17.0
175.11142	3.4
175.14812	13.4
177.12665	2.1
177.16394	5.6
179.10672	7.1
181.10242	1.3
181.12210	2.7
183.11700	3.2
185.13220	8.9
187.14766	13.2
189.12697	2.9
189.16377	4.8
191.14323	4.1
191.17975	13.3
197.13254	4.7
199.14789	7.5
201.16408	4.9
203.14339	6.4
203.17957	10.6
205.16026	1.6
205.19504	43.4
207.13823	3.2
209.15384	2.8
211.14864	4.0
213.16307	6.5
215.14340	5.4
215.17931	4.3
217.15944	6.3
217.19443	12.0
221.15314	2.3
223.16882	1.9
225.16330	3.3
227.17896	1.4
229.15863	4.4
229.19543	5.2
231.17455	2.6
231.21095	16.7
233.15465	6.8
235.16891	12.3
239.17970	2.2
241.19586	2.0
245.22702	2.5
247.16962	8.5
249.18486	2.6
257.19037	2.2
257.22650	4.3
261.18390	1.6
269.22571	2.4
271.20462	1.8
275.20090	2.6
287.19958	1.9
311.23953	2.4
311.27191	1.7
329.24844	1.7
379.29828	1.9
381.31616	1.7
403.33551	9.2
421.34631	30.8
439.35706	100.0
440.35941	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	439.3568
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
51.44514	0.6
55.05394	2.1
57.06974	1.5
67.05371	6.6
67.05770	1.3
69.06934	10.2
69.07347	2.1
70.19652	2.5
79.05355	2.9
81.06908	16.3
81.07437	2.7
83.08478	3.3
83.42046	0.6
85.99899	0.7
91.05334	2.8
93.06892	7.9
93.07542	1.5
95.04829	1.0
95.08450	32.0
95.09124	3.7
97.10007	2.0
105.06867	5.9
107.08430	18.4
107.09198	1.7
109.06338	2.5
109.09988	28.2
109.10806	2.7
111.11549	5.4
117.06850	1.0
119.08411	14.0
121.06326	1.8
121.09966	16.4
121.10905	1.1
123.07893	2.3
123.11531	15.3
123.12496	1.1
125.13074	0.8
131.08366	2.6
133.10121	26.5
135.08029	3.8
135.11676	13.3
137.09514	1.4
137.13069	6.0
142.71510	0.6
143.08374	2.1
145.10123	7.4
147.07927	1.5
147.11694	7.3
149.09421	3.3
149.13255	12.2
154.49808	0.6
155.08417	0.9
157.09920	2.3
158.10693	0.9
159.07877	1.9
159.11691	5.6
161.09628	3.9
161.13232	3.9
163.10979	2.4
163.14813	10.2
165.12582	1.2
169.10013	1.5
171.11513	2.7
172.12294	0.9
173.09416	2.8
173.13240	8.9
173.27429	0.6
175.11217	4.1
175.14796	8.9
177.12584	2.1
177.16170	2.9
179.69220	0.7
183.11470	1.1
185.13107	2.6
186.10289	1.0
187.11121	1.4
187.14828	10.3
189.12549	1.7
189.16373	13.0
191.14174	1.0
191.17958	3.9
195.11632	0.8
196.11978	0.9
197.13068	2.3
199.14632	2.5
200.11739	1.8
201.12619	1.6
201.16206	2.2
203.14261	3.3
203.17926	3.3
205.15782	1.3
205.19353	2.4
209.13068	1.1
211.14633	2.1
213.16205	2.1
215.14322	15.2
215.17744	1.9
217.15894	7.6
217.19301	1.5
219.17305	1.6
219.21065	7.4
223.14656	1.3
225.16260	0.9
227.14244	0.9
227.17775	1.2
229.15657	1.6
229.19385	1.4
231.17264	1.9
233.15166	1.0
241.19391	1.1
243.20949	1.2
245.18839	0.7
253.19366	0.8
257.18976	1.8
257.22455	2.0
259.20392	2.1
265.19336	2.5
269.22641	0.8
276.68069	0.7
283.20694	3.2
283.23450	1.1
285.22180	1.1
301.25272	0.9
313.25198	3.1
327.26840	1.4
349.29233	0.9
365.28094	0.9
379.29932	0.9
393.35202	1.5
403.33606	6.6
421.34628	100.0
422.35138	3.4
439.35709	84.1
440.36063	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3568
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
52.56269	1.9
55.05505	10.2
57.07071	4.7
64.47551	2.0
67.05498	16.7
69.07063	35.1
70.20714	9.6
78.19780	2.0
78.93204	2.2
79.05497	8.2
81.07055	42.8
83.08614	9.7
91.05494	9.2
93.07028	21.2
94.08954	2.2
95.04936	2.5
95.08598	77.2
97.10147	8.9
99.08063	3.2
105.07028	15.5
107.08591	37.4
109.06550	2.5
109.10152	57.3
111.11716	8.7
117.07055	3.3
119.08565	30.5
121.10141	36.7
122.33533	2.3
123.08058	10.2
123.11691	23.6
125.09578	2.7
131.08553	12.6
133.10133	33.6
135.08049	5.1
135.11679	16.7
136.31024	2.2
137.09622	3.3
137.13243	14.4
143.08556	9.5
144.09300	2.6
145.10098	23.3
147.11630	20.6
149.09668	3.6
149.13255	9.2
155.08560	4.1
156.09378	5.4
157.03679	2.0
157.10103	19.8
158.10869	3.5
159.11681	25.6
161.13274	16.8
163.14825	8.1
165.12740	2.9
169.10115	9.8
171.11678	13.1
173.13264	19.7
175.14818	10.5
177.16391	6.1
179.17987	3.0
181.10190	3.7
183.11696	11.6
185.13257	10.2
187.14804	16.8
189.16377	7.2
191.14264	3.1
191.17918	23.4
193.15984	2.6
195.11710	6.8
196.12383	3.2
197.13239	12.5
199.14734	11.4
201.16417	8.7
203.17914	6.8
205.15764	2.8
205.19519	22.2
207.11671	3.1
209.13351	4.0
211.14847	10.7
213.16345	6.0
215.18019	11.8
217.15857	4.1
217.19502	16.6
219.17477	2.9
223.14815	7.9
225.16330	11.4
225.92451	2.7
229.15948	4.7
229.19495	6.7
231.21101	4.2
235.16940	6.0
239.17900	6.2
241.19490	3.7
243.17403	3.2
243.21251	3.9
247.16925	4.6
249.03717	2.0
251.17966	3.1
255.21136	9.2
257.19183	3.1
265.19440	11.0
267.21048	2.5
269.22604	31.4
274.04922	2.5
283.20590	11.4
283.23907	4.1
287.19635	2.4
293.22684	3.8
295.24274	6.9
311.27295	10.6
323.27014	2.7
325.25168	2.8
325.28854	6.2
333.25702	4.6
335.27234	6.4
349.28882	3.7
363.30411	4.4
377.32373	3.1
393.35562	3.1
403.33554	52.9
405.08783	2.2
421.34601	100.0
422.35120	4.0
439.35718	88.3
440.36096	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	439.3568
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03941	1.5
55.05510	10.3
57.03437	1.3
57.07067	3.9
67.05498	28.0
69.03452	1.4
69.07061	23.5
69.27487	11.8
71.04995	1.3
71.08642	1.6
79.05488	9.9
81.07049	29.5
83.04968	1.1
83.08611	6.6
85.06525	2.4
91.05469	8.8
93.07034	22.6
95.04993	2.5
95.08600	67.6
97.06547	2.5
97.10160	4.9
99.08134	1.4
105.07028	18.3
107.08588	30.6
107.09294	1.9
109.06516	3.1
109.10148	100.0
111.08064	11.1
111.11736	5.8
114.97087	1.0
115.05529	1.0
117.07033	2.1
118.74468	1.0
119.08574	22.9
121.06532	4.2
121.10134	37.6
122.09695	2.1
123.08051	7.9
123.11693	19.4
123.12551	1.0
125.09624	1.9
128.06216	1.1
128.10748	2.1
131.08562	8.1
133.08591	1.3
133.10117	19.7
133.11046	1.5
135.08113	2.7
135.11682	12.9
137.09634	4.6
137.13245	10.9
139.11221	1.1
140.10693	6.5
142.07803	1.2
143.08614	5.3
145.10107	17.1
145.11137	1.4
147.08102	1.9
147.11655	14.3
149.09566	5.8
149.13264	8.5
151.11195	1.8
156.09361	1.5
157.10129	9.2
158.10930	1.4
159.08055	2.3
159.11668	14.5
161.09668	3.4
161.13245	9.0
163.11209	3.9
163.14822	5.6
165.12862	1.7
169.10193	3.4
169.12326	1.4
170.10930	3.1
171.11705	7.8
172.12451	2.0
173.09636	2.8
173.13248	15.6
175.11229	4.0
175.14828	9.4
177.12787	1.3
177.16357	5.8
181.10088	1.2
183.11678	5.2
185.13222	10.7
187.11200	1.7
187.14807	14.0
187.16371	1.0
189.12735	2.2
189.16394	8.1
191.14349	2.7
191.17918	17.2
193.12341	1.0
193.15955	1.6
193.19678	1.3
195.11745	1.2
196.12589	1.4
197.13280	6.4
199.14853	7.6
201.12773	2.2
201.16426	7.5
203.14339	4.6
203.17911	6.4
205.15887	3.3
205.19476	5.9
209.13390	2.9
209.15344	1.4
211.14850	5.0
213.16389	5.0
214.18063	2.9
215.14336	6.0
215.17870	5.3
217.15883	5.4
217.19495	6.6
219.17502	3.6
221.13248	1.2
221.15295	1.2
223.14816	2.0
225.16498	3.4
227.17944	2.8
229.15891	5.7
229.19678	2.8
231.17461	3.6
231.21098	2.1
233.15485	4.0
235.16878	5.8
237.16417	1.8
239.17909	5.0
241.19518	2.6
243.17520	3.2
243.21159	2.6
243.89377	1.0
247.17004	3.5
251.18010	1.2
253.19775	2.8
255.21243	4.2
257.22653	2.6
261.18573	3.0
265.19495	2.1
269.22708	2.8
279.21185	1.2
283.20761	1.3
283.24313	2.7
295.24258	2.2
297.25909	2.9
299.23950	2.6
299.27454	1.1
307.24524	1.1
309.25824	3.0
311.23453	1.0
311.27377	2.8
321.25729	1.3
327.26544	1.6
329.24832	1.2
333.25900	1.4
335.27481	1.2
342.26529	1.9
363.30676	1.6
377.32098	2.4
379.33694	1.9
393.35287	1.6
403.33578	24.8
421.34683	57.6
422.35449	2.4
438.71140	1.1
439.35873	69.9
440.36523	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.9
55.05510	10.6
57.07070	4.0
61.60735	1.7
67.05504	14.4
69.07065	18.3
70.01740	4.2
70.02133	3.2
78.50291	1.4
79.05475	9.6
80.98875	1.4
81.07059	29.3
83.08608	9.6
85.16544	1.5
91.05487	9.5
93.07043	27.4
95.04994	1.7
95.08604	67.0
97.06532	1.3
97.10175	5.6
105.07027	28.0
106.31464	1.6
107.08590	50.1
107.09292	2.9
109.06519	3.0
109.09451	3.3
109.10155	42.4
111.11725	3.8
117.07001	2.0
119.08581	55.5
121.06516	1.5
121.10142	39.1
123.11719	21.8
126.35194	1.4
131.08588	3.7
133.10126	34.6
135.11690	29.0
137.13240	5.8
140.08124	1.5
143.08615	1.8
145.10139	8.7
147.11676	34.2
147.17747	1.5
149.13260	20.8
151.14955	1.6
153.09160	4.1
156.09428	1.7
157.10117	3.0
159.11699	8.0
161.13252	17.7
163.14815	12.6
165.09131	2.1
167.10774	3.3
171.11726	3.7
173.13255	6.9
175.14813	14.5
177.16338	9.1
179.10748	2.2
179.18112	1.5
185.13182	1.6
187.14807	7.1
189.16382	62.1
191.16193	3.2
191.17940	67.4
199.14967	2.0
201.16357	19.8
203.17955	100.0
204.18355	2.6
205.19513	25.6
207.17398	2.3
213.16414	2.6
215.18060	5.0
217.16086	2.6
217.19482	17.8
221.15572	2.9
221.19040	4.3
229.16002	2.0
229.19522	3.6
231.21121	5.1
233.15538	2.4
235.16949	7.3
241.19475	2.8
243.21133	3.4
245.22809	3.6
247.17009	6.8
249.18559	18.6
250.85130	1.6
255.21266	1.9
261.18704	1.9
393.34995	8.0
405.49683	2.0
421.34912	9.6
439.35834	61.9
440.36115	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	439.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.2
55.01861	1.8
55.05510	14.8
57.03434	6.6
59.05006	4.7
65.03932	2.3
67.05502	100.0
67.74843	0.8
69.03420	3.4
69.07063	4.5
70.90695	1.2
70.91042	1.9
71.04993	5.3
79.05491	12.5
81.03417	32.0
81.07058	27.2
83.04978	6.1
83.08613	17.5
85.02900	19.7
85.06535	3.5
91.05479	20.0
93.07046	12.4
95.04967	12.9
95.08600	9.6
97.02875	2.8
97.06505	1.6
97.10143	1.4
105.07030	13.4
107.04974	2.4
107.08591	5.7
108.62173	0.8
109.06523	3.0
109.10152	61.9
111.04473	1.4
111.08070	9.4
113.05978	1.9
115.05417	1.0
117.06985	1.0
119.04945	0.8
119.08573	16.5
121.06476	1.5
121.10162	4.8
123.08063	1.2
123.11776	1.0
125.09599	1.4
129.06999	5.0
131.08571	5.0
133.06480	1.4
133.10138	5.4
137.09625	5.1
142.07877	1.1
145.10139	1.9
147.08051	2.6
147.11696	8.0
147.94057	0.8
149.09637	1.6
155.10666	3.4
155.84377	0.8
157.10139	6.8
159.11778	0.8
165.09183	1.0
165.12740	1.2
173.11734	15.7
175.11200	7.1
193.12242	27.4
200.50082	0.8
211.13284	36.7
211.15271	1.8
229.14349	3.1
241.15976	2.5
242.16180	5.8
260.17279	1.0
267.15903	4.1
277.21582	1.4
310.53284	0.8
329.20941	1.1
421.25922	2.9
439.26956	87.1
440.27356	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	439.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09519	1.2
53.03949	1.2
55.01864	2.7
55.05508	16.5
55.17672	1.3
56.96560	1.5
57.03438	8.0
59.04984	4.4
62.02531	1.1
65.03954	2.3
67.05502	100.0
69.03417	2.2
69.07080	7.4
71.04969	5.2
79.05488	15.4
81.03415	33.6
81.07053	34.0
83.04987	8.0
83.08617	15.6
85.02903	17.9
85.06517	4.2
91.05481	22.5
93.07036	14.7
95.04972	15.5
95.08611	13.4
97.02892	2.0
97.06517	2.6
97.10144	3.2
98.21487	3.8
105.07033	14.3
107.04943	4.2
107.08571	10.6
109.06492	3.8
109.10150	73.3
111.04427	2.0
111.08067	7.2
113.05994	2.0
117.06997	2.2
119.08572	18.1
121.10130	7.0
123.08052	2.4
123.11719	3.8
125.09637	2.1
129.07004	5.8
131.08568	7.8
133.10107	7.3
135.11693	1.8
137.09627	4.5
142.07741	2.9
145.10089	3.8
147.11682	9.8
149.09602	5.8
155.10709	3.4
157.10112	9.1
159.11656	2.1
165.12778	1.6
173.11749	19.6
173.13182	2.2
175.11205	5.9
192.46391	1.3
193.12236	28.7
211.13277	38.6
229.14391	2.2
267.15851	5.5
336.95911	1.6
421.25894	4.8
421.34973	1.6
439.19473	4.9
439.26895	94.0
439.69183	1.9
440.27280	4.2
452.51022	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32322	0.7
50.87678	0.7
52.00680	0.8
52.10881	0.7
52.96301	0.7
53.03929	2.3
55.01859	1.9
55.05258	1.2
55.05507	14.8
56.96572	2.0
57.03439	6.5
57.07066	2.3
57.09764	0.7
57.84291	0.7
59.04988	3.9
61.02897	1.7
63.37979	0.7
65.03934	2.9
66.45486	0.8
67.05501	91.8
69.03417	4.4
69.07057	8.6
71.04982	5.4
71.60585	1.5
73.02916	1.6
79.05490	13.8
81.03415	32.8
81.07054	27.6
83.04984	6.7
83.08614	18.6
85.02422	1.3
85.02900	18.6
85.06522	3.6
87.04459	1.9
89.06028	8.2
91.03968	1.2
91.05474	21.1
93.07042	11.9
95.04966	13.5
95.08595	12.7
97.02879	3.3
97.06546	1.8
97.10165	2.2
97.45376	0.8
99.08069	1.0
103.05454	1.3
105.07016	13.7
107.04929	3.3
107.08601	7.1
109.06514	3.0
109.10147	64.8
110.10443	1.0
111.04459	1.5
111.08072	7.7
113.06001	1.8
115.05412	1.1
117.07022	2.4
119.08578	15.2
121.06480	1.7
121.10129	6.3
123.04430	1.0
123.08078	2.0
123.11719	1.7
125.09641	1.4
127.03875	1.3
128.06203	0.9
129.07019	4.6
129.12741	1.0
131.08536	6.5
133.06461	2.9
133.08572	4.9
133.10110	4.9
135.08046	1.6
135.11655	2.4
136.73547	0.8
137.09598	3.5
142.07774	0.9
145.10133	3.3
147.08047	9.5
147.11697	8.6
149.09599	3.9
155.10652	3.2
157.10114	7.4
159.11774	2.0
161.09595	1.0
161.13258	1.0
163.11192	1.1
165.12784	1.9
173.09550	1.1
173.11742	21.1
173.13170	1.8
175.11151	8.4
177.00755	1.1
189.12770	0.9
189.16252	1.1
191.10696	2.2
193.12219	32.5
194.12433	1.1
195.13838	1.0
201.16447	0.8
211.13263	42.3
229.14333	2.9
245.19035	2.2
259.20419	0.9
267.09116	2.2
267.15857	4.8
269.10388	1.4
269.17575	1.3
270.12601	1.1
271.12262	0.9
285.10138	6.4
289.21646	3.4
290.10312	0.9
308.11801	1.1
324.11502	3.6
324.61551	2.0
349.16138	1.0
421.25952	3.4
430.18622	1.2
439.26874	100.0
440.27063	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.3
51.02378	0.7
53.03919	0.4
55.01863	0.4
55.05493	0.8
56.05293	0.2
56.23088	0.3
56.96979	0.3
57.03436	0.4
65.03932	0.3
67.05489	2.1
68.99449	0.3
68.99768	1.6
69.03410	0.6
73.40862	0.2
75.04462	0.7
77.03907	0.7
79.05490	3.4
81.07040	1.3
83.04993	0.3
83.08614	0.5
85.02913	0.3
89.03903	0.3
91.05468	3.4
93.07034	12.7
95.04958	2.2
95.08581	0.8
99.04460	0.3
105.03364	1.6
105.04498	0.5
105.07030	1.7
107.04931	0.5
107.08586	2.7
109.10122	1.0
111.00788	2.6
111.04430	0.8
111.08070	0.4
116.06183	0.2
117.06986	0.5
117.16643	0.2
119.04908	0.6
119.08566	0.6
121.02850	0.3
121.06548	0.3
121.10129	8.4
123.04413	100.0
123.11668	0.3
124.04744	1.1
127.03909	0.7
129.07008	0.4
131.08537	0.6
133.06514	0.4
133.10094	0.2
135.04398	5.2
137.02409	0.3
137.09528	0.3
139.03885	33.4
143.04880	0.4
145.06458	0.9
147.04387	8.9
149.05931	0.3
149.09598	2.0
151.03880	8.4
153.01790	0.3
153.05426	0.4
153.06953	0.3
157.06529	0.4
161.05946	1.0
163.03891	3.0
163.07526	2.2
165.05492	0.5
175.07550	0.4
177.05536	0.3
179.07053	0.3
181.06461	0.5
185.05847	0.3
187.07481	0.6
189.05453	2.0
191.07028	0.7
199.07552	0.6
203.07030	0.7
213.05493	0.4
215.10626	0.4
227.07025	0.6
231.06593	0.3
231.10129	4.3
241.12260	0.4
243.13649	0.4
247.74428	0.3
255.06480	1.1
259.13260	1.0
259.20663	0.2
269.11841	0.3
271.06067	1.4
271.13284	0.3
273.07541	29.9
274.07932	0.6
285.07495	2.7
287.12805	1.5
291.08569	0.3
303.08667	0.5
313.14252	0.4
325.10779	0.3
421.16309	1.5
439.17392	7.4
439.23041	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	2.7
56.05018	1.4
56.96562	3.6
57.03423	3.8
59.04995	1.6
60.04509	1.8
61.02931	2.7
65.03953	2.3
65.59647	1.4
67.05471	1.6
69.03440	10.7
71.04980	1.4
71.58088	1.7
73.02914	4.6
74.06087	2.1
77.00917	2.4
81.03422	8.0
83.04993	2.4
84.05341	1.5
85.02905	17.0
87.04459	7.4
93.10033	1.3
95.01324	3.0
95.04968	3.6
97.02887	16.5
98.97597	2.6
98.98464	34.2
99.04444	1.9
101.00891	4.3
103.02464	1.4
109.02869	4.7
111.04449	3.8
113.00006	6.0
113.00800	2.1
113.02398	2.1
115.02460	1.8
116.99517	2.9
119.01920	26.2
121.01737	1.9
125.02319	2.3
126.12985	1.7
127.02414	2.1
127.03903	5.6
131.01898	7.5
133.03503	5.9
137.02957	5.4
139.03871	2.0
143.00183	3.3
143.01897	10.5
145.03461	25.1
147.01376	6.1
147.03181	3.3
149.03018	1.5
149.23950	1.5
155.01878	15.0
156.02678	2.3
157.03470	17.8
161.01262	5.2
161.02991	14.9
163.04518	4.2
167.01888	3.8
169.00089	1.4
169.03511	4.8
171.01378	2.7
171.03314	1.9
171.04988	2.4
172.95332	1.7
173.02950	24.4
174.03227	1.8
175.01031	2.0
175.02863	3.2
175.04538	8.2
179.01888	2.0
183.01338	1.7
185.02930	21.6
187.04498	6.9
189.00832	1.6
189.02550	2.7
189.04253	1.9
197.03011	8.5
197.04597	1.6
201.02448	3.9
203.02274	2.9
203.04001	21.4
209.03221	2.0
213.02426	3.7
213.06075	1.9
214.96367	2.8
215.04036	2.4
221.05063	69.0
222.05205	2.5
223.04778	3.2
228.91054	2.9
233.05057	2.8
237.02724	2.5
238.95920	2.1
239.01572	1.8
239.06075	9.9
244.06651	2.4
245.05075	57.9
246.92200	1.6
247.04921	2.4
249.04523	2.0
256.97543	6.0
257.05212	2.4
259.03006	4.2
263.06149	15.2
271.02997	50.4
273.04221	11.8
273.07086	3.2
275.06378	7.7
276.89380	1.6
276.92007	9.1
277.04034	6.1
277.92188	2.6
277.96906	2.1
280.97733	1.8
286.07742	1.8
287.06110	5.5
289.03998	31.7
290.93741	2.6
291.05621	15.6
291.94077	2.2
294.90082	2.3
294.93155	12.8
297.90765	1.9
298.93173	2.5
299.06100	1.9
299.92993	3.1
301.05966	2.1
303.05725	3.0
304.89859	3.2
304.97583	1.8
305.07156	12.0
306.91641	2.4
307.05072	28.7
308.43695	2.0
308.87604	4.9
308.95090	8.0
309.06674	2.1
309.99158	2.7
319.04871	10.6
320.86441	2.2
322.98315	3.1
327.03180	1.9
330.06644	3.5
331.92322	2.5
332.91394	2.0
333.06702	6.0
333.93546	1.8
334.02716	1.9
334.92734	2.0
336.42276	1.9
337.06116	3.3
337.89694	3.2
338.87753	3.6
344.42526	1.9
346.39795	2.6
346.90033	3.5
347.39874	2.6
348.93903	2.5
349.02435	2.3
349.06265	28.4
351.07687	6.8
352.92264	5.9
356.88708	87.5
358.93808	2.6
360.07990	1.9
361.08020	3.8
362.90387	2.1
363.40698	2.3
364.87317	4.6
365.37155	2.9
365.89697	2.0
371.91403	4.6
373.87231	2.0
374.89771	100.0
375.89679	3.3
376.43738	2.8
376.91794	4.7
378.94885	2.2
379.07080	54.5
379.90485	4.2
380.07642	1.9
383.41434	2.6
383.90799	2.5
386.94223	3.1
391.92496	1.9
392.90765	5.1
394.41571	2.2
394.93118	3.3
395.85037	2.9
396.86597	5.3
397.08005	15.9
397.91571	12.2
402.08737	2.9
404.85950	6.3
405.35623	2.5
405.87045	2.0
406.91388	2.3
413.86026	5.3
414.87793	29.1
414.93091	2.4
415.41513	3.9
415.87027	7.7
415.92725	7.2
416.01862	6.7
416.41724	3.9
416.87280	3.4
417.92975	2.0
424.41711	4.3
424.91891	5.9
425.92252	2.8
427.42624	2.4
430.42459	2.8
432.88840	4.1
435.91833	1.9
438.88245	2.3
438.98102	7.4
439.09232	20.9
456.89078	12.2
456.98441	4.5
457.88159	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	437.3406
Annotation	Petrosiacetylene D
Peak:m/z	Relative Intensity
52.91922	1.2
54.60797	1.3
66.81479	1.0
67.05505	1.3
69.07079	2.5
69.64651	5.0
69.65080	4.7
81.07057	2.4
95.08609	4.7
98.20827	2.1
98.68797	1.2
105.07057	1.3
107.08558	1.6
107.78021	1.3
109.10175	2.0
119.08580	3.0
121.10168	2.7
133.10141	1.4
135.08084	1.4
143.08519	1.6
145.10126	3.3
147.11688	1.4
173.13239	7.0
185.13292	1.7
187.14850	2.8
191.17809	1.3
203.14203	1.6
213.12737	2.2
215.14359	2.2
419.33173	2.6
434.57599	1.2
437.34134	100.0
438.34445	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77468	4.7
55.05503	9.9
59.67974	4.7
62.56184	5.2
67.05488	19.6
69.07070	44.6
69.28091	32.7
69.28512	21.0
79.72800	7.0
81.07050	51.3
81.32925	5.4
83.08598	7.5
89.06004	6.4
91.05463	14.3
93.07024	23.4
95.08608	73.0
98.21523	11.3
105.07026	31.8
107.08595	35.9
109.10171	38.4
111.08083	5.7
111.11738	7.0
117.06974	6.0
119.08553	37.2
121.10137	37.8
123.11678	16.7
131.08559	10.5
133.08586	6.4
133.10109	25.5
135.08015	5.5
135.11674	20.1
137.09633	6.6
137.13245	20.3
142.07750	7.0
143.08528	8.5
145.10103	30.1
147.08028	7.7
147.11664	20.7
149.09618	6.1
149.13261	10.6
155.08469	6.2
157.10123	22.3
159.08020	28.9
159.11697	26.6
161.13240	13.7
169.10130	15.9
171.11684	22.3
173.13254	15.0
175.14740	9.0
183.11633	18.0
185.13268	14.2
187.11096	12.0
187.14806	8.2
191.17938	15.9
195.11720	9.7
197.13219	18.5
199.14752	11.1
201.16473	7.2
203.17903	30.3
211.14845	7.7
213.12717	7.8
213.16402	10.3
215.14307	12.5
217.19479	11.8
223.14761	9.2
237.16434	7.2
239.14857	8.1
239.17764	11.0
241.15987	11.4
249.16521	6.3
255.21129	11.4
281.18851	8.8
321.25766	39.0
351.26758	77.3
363.26773	7.4
393.31305	6.1
401.31961	16.0
419.33096	100.0
420.33795	6.4
437.34381	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.4
55.05505	13.0
56.96556	30.3
57.03429	10.0
57.07079	8.3
58.06589	2.1
59.05002	2.1
59.33059	1.4
61.02925	16.0
61.64729	1.6
65.03916	2.2
65.99641	1.5
67.05164	3.2
67.05500	35.5
68.05817	4.5
68.89320	1.5
69.03419	9.6
69.07056	7.7
69.44909	15.9
70.06582	16.0
71.04967	4.1
71.08619	2.2
71.95251	3.4
73.02911	12.4
79.05492	10.8
81.03413	10.6
81.07050	25.5
82.07377	3.3
83.01336	1.7
83.04974	4.7
83.08614	6.5
85.02896	16.6
85.06547	2.4
88.07619	20.6
91.03946	9.9
91.05470	10.5
93.07031	13.8
94.07363	1.7
95.04961	5.0
95.08598	12.2
96.08913	1.9
97.02891	17.9
97.06522	3.3
97.10164	2.3
98.03165	1.9
98.97592	7.2
99.04447	2.7
101.02361	3.3
102.09162	14.0
105.07008	7.2
107.04908	3.5
107.08566	9.9
108.08990	1.7
109.02863	4.1
109.10153	17.2
110.10498	6.5
110.97540	1.8
111.04420	2.4
111.08071	3.4
116.98597	12.7
117.06995	2.7
119.01797	3.2
119.08553	3.3
121.10131	5.2
127.03901	7.2
128.98596	6.0
129.05501	2.3
131.00183	2.8
131.08513	3.0
133.10103	3.4
134.99654	5.5
135.11656	4.1
136.11987	2.4
138.02513	2.6
143.08534	2.1
145.04848	1.8
145.10147	3.5
146.02332	2.1
146.99640	5.7
147.03101	1.9
147.11696	3.2
149.01224	4.2
149.02325	44.6
149.03404	2.3
149.13214	4.8
156.03589	2.3
158.10416	1.9
158.74524	1.6
158.99655	6.5
159.11664	2.3
161.01183	3.5
163.11130	3.3
164.11604	1.7
165.50819	1.8
170.99625	4.6
171.06760	1.9
173.09604	2.2
173.11731	4.4
174.12070	2.4
175.02861	2.1
177.00688	7.3
185.03438	1.6
189.00662	7.6
189.04311	3.6
191.02249	3.6
193.04945	50.6
195.13797	2.6
199.06429	3.7
200.06998	2.8
201.00757	2.6
203.05847	2.4
213.07964	4.8
217.07466	5.9
219.01770	3.5
219.05199	5.4
220.05919	4.5
223.87367	1.6
225.07944	1.8
228.05750	2.4
228.23201	44.0
229.09157	2.8
231.09000	7.9
231.56952	2.6
235.08842	3.0
237.02832	2.1
237.07541	59.6
239.09569	1.9
241.04654	2.7
241.11072	2.9
243.08884	8.4
244.09738	2.3
250.05191	2.6
251.09184	1.8
255.08905	2.4
257.10538	2.2
261.55969	2.6
267.08975	9.2
269.10577	23.2
269.17426	3.8
273.10214	2.4
283.08560	3.6
285.10074	18.5
286.10486	2.0
287.11655	14.1
288.10397	2.4
292.11871	2.7
292.14548	2.9
293.05466	2.7
293.87772	1.7
298.14182	2.2
301.09695	1.9
308.11679	3.5
311.10983	2.0
316.11722	34.9
316.61865	10.4
318.11414	2.5
319.10895	1.7
321.04950	5.9
323.10681	3.1
324.11520	9.4
324.61526	2.7
325.12222	6.6
332.61581	1.8
334.15439	3.8
336.62976	4.4
352.12747	2.0
357.15543	3.3
365.26886	2.7
373.17175	11.2
373.67014	3.7
391.94534	3.2
426.53506	1.8
438.18234	9.0
438.28784	100.0
438.68347	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3412
Annotation	Petrosiacetylene D
Peak:m/z	Relative Intensity
52.07802	0.7
55.05507	4.1
56.39083	0.8
57.07079	1.3
67.05505	7.5
69.03426	1.2
69.07062	11.8
70.40943	0.7
71.10803	1.3
71.11150	1.0
71.27981	0.6
78.87989	0.7
79.05506	4.6
81.07059	18.9
83.04993	0.8
83.08620	2.8
91.05474	4.3
93.07047	9.0
95.04942	1.1
95.08605	29.8
97.06534	2.6
97.10184	2.2
105.07015	9.1
107.08588	18.2
107.09292	1.2
109.06531	2.2
109.10141	17.2
111.08073	1.3
111.11715	2.8
117.07037	1.5
119.08581	16.7
121.06508	1.8
121.10146	21.0
123.08091	3.5
123.11710	5.7
125.09615	0.9
129.06993	1.3
131.08563	6.8
133.06505	0.9
133.10120	9.8
135.08038	2.3
135.11703	8.5
137.09592	6.3
137.13248	5.4
141.07065	0.9
142.07762	2.7
143.08583	5.7
145.10126	15.3
147.08070	1.9
147.11705	5.6
149.09656	3.2
149.13257	4.1
150.09821	0.8
155.08574	3.4
156.09361	5.0
157.10117	9.3
158.10875	5.1
159.08076	1.5
159.11694	11.3
161.09621	2.2
161.13220	5.9
163.11201	2.9
163.14841	3.4
167.08546	1.9
168.09424	1.0
169.10101	7.7
170.10922	1.7
171.11687	11.5
172.12445	2.2
173.09639	2.6
173.13268	21.0
175.11198	2.6
175.14854	3.8
177.12737	1.7
177.16331	4.3
181.10085	1.3
182.10890	5.4
183.11713	3.2
185.09648	1.2
185.13272	6.0
187.11220	2.0
187.14819	8.5
189.12758	2.1
189.16406	2.6
191.14346	2.1
191.17937	19.6
193.15874	2.0
197.13239	12.3
198.13971	1.4
199.14847	3.4
201.12749	2.8
201.16409	2.4
203.14345	1.6
203.17917	6.8
205.19482	1.1
207.11876	0.8
207.17433	3.8
208.12253	0.8
209.13326	1.8
211.11215	0.8
211.14845	2.7
213.12816	1.1
213.16374	2.3
215.14268	5.4
215.17906	1.8
217.15904	0.9
217.19548	5.7
219.13847	0.9
219.17487	3.5
221.13248	1.2
222.13931	0.9
223.14909	2.5
225.16374	0.9
227.17990	2.5
229.15854	1.7
229.19473	1.6
233.15352	29.5
237.16452	1.4
239.17934	1.2
241.16022	2.1
241.19562	1.5
243.20888	0.8
247.16914	2.5
255.17502	1.3
255.21179	1.2
259.16812	4.8
269.22797	1.2
273.18573	1.3
281.18958	0.9
283.24188	0.9
299.23703	0.8
309.21982	1.4
327.23349	1.5
361.28836	1.0
376.31470	1.1
377.32312	1.0
391.33771	3.6
393.31296	0.9
401.31808	1.7
419.33093	14.4
437.34183	100.0
438.34503	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	437.3414
Annotation	Petrosiacetylene D
Peak:m/z	Relative Intensity
51.89260	1.0
55.05490	1.4
67.05498	2.3
69.07053	4.2
79.05496	1.4
81.07053	6.4
93.07044	3.1
95.08606	10.1
105.07031	2.8
107.08594	4.7
109.10141	5.1
119.08559	5.0
121.06414	1.0
121.10145	3.9
123.11700	1.9
123.72290	1.0
131.08578	2.4
133.10141	3.6
135.08069	1.5
135.11703	2.5
137.09656	1.6
137.13217	2.2
143.08566	1.5
145.10095	3.2
147.08086	1.1
147.11652	2.3
149.09616	1.5
150.82491	1.1
157.10123	3.3
159.11697	3.5
161.13277	1.5
171.11707	2.9
173.13269	5.4
182.91402	1.0
185.13228	2.1
187.14821	3.8
191.14304	1.3
191.17932	2.5
197.13242	2.5
199.14827	1.9
201.16444	1.1
203.18045	1.4
211.19392	1.0
215.14384	1.2
219.13788	1.6
229.15999	1.2
229.35779	1.1
233.15317	3.3
281.19382	1.5
401.32162	1.3
419.33194	5.5
437.34171	100.0
438.34518	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	437.3412
Annotation	Petrosiacetylene D
Peak:m/z	Relative Intensity
53.03927	0.7
55.05514	5.5
57.07079	5.0
65.03941	0.8
67.05503	11.2
69.03424	0.8
69.07067	21.1
69.40116	6.2
73.89221	0.7
79.05487	6.7
81.07056	19.7
83.04950	0.9
83.08615	4.5
85.06540	1.1
91.05468	6.9
93.07037	12.9
95.04977	1.9
95.08606	39.6
97.06528	1.2
97.10165	3.0
105.07029	12.7
107.08594	24.4
109.06525	3.3
109.10156	30.4
111.08113	3.5
111.11723	7.5
113.09689	0.8
117.07040	1.5
119.08577	15.6
120.71718	0.8
121.06483	2.6
121.10139	24.3
123.08031	3.2
123.11710	10.5
125.09620	1.2
128.06239	0.9
129.06982	1.5
131.08574	8.0
133.06490	0.9
133.10129	17.5
134.31158	0.7
135.08054	3.8
135.11694	12.1
137.09613	4.7
137.13255	5.7
139.11137	1.0
141.06976	1.2
142.07718	2.3
142.97588	0.7
143.08571	4.2
143.09534	0.7
144.09322	1.5
145.06561	0.8
145.10117	15.0
146.59703	0.7
147.08031	2.4
147.11688	10.0
149.09613	3.0
149.13278	4.8
151.11256	1.3
151.14767	0.8
155.08546	3.1
156.09320	4.3
157.10117	9.8
158.10930	2.6
159.08049	1.5
159.11697	12.4
161.09601	3.2
161.13254	8.4
163.07518	0.8
163.11227	3.0
163.14818	4.7
165.09085	1.7
167.08594	1.2
169.10179	3.5
170.10957	3.8
171.11687	13.0
172.12456	1.5
173.09578	3.7
173.13257	15.8
175.11180	7.3
175.14809	4.8
177.08990	0.8
177.12807	1.6
177.16412	4.9
180.09238	0.7
181.10156	1.5
182.10866	0.9
183.11684	5.0
184.12439	0.9
185.09738	0.9
185.13263	12.2
186.10384	0.9
187.11186	2.8
187.14815	13.9
189.12726	6.4
189.16331	3.9
191.14362	5.2
191.16165	1.3
191.17937	20.7
193.10165	1.6
193.15845	1.1
195.11734	3.0
196.12480	1.2
197.13268	8.6
198.10376	0.8
199.11229	1.1
199.14841	4.8
201.12857	3.2
201.16402	4.5
203.14305	3.5
203.17943	14.3
203.19711	1.0
205.15875	1.5
205.19559	3.1
207.11696	1.6
207.13701	1.1
209.13203	2.5
211.14832	3.7
213.12767	2.5
213.16376	2.8
215.14377	5.7
215.17917	5.2
217.15872	1.6
217.19502	5.3
219.13820	1.4
219.17418	6.1
221.13243	1.1
223.14821	3.8
225.16315	1.7
227.14287	2.5
227.17896	4.7
229.15877	3.3
229.19533	1.9
231.13821	2.3
231.17448	1.5
231.21019	1.9
233.15363	13.3
235.14845	1.6
235.17000	2.1
237.16380	2.6
239.17973	1.9
241.15877	1.9
241.19608	1.3
243.17400	1.2
243.21150	1.8
245.15349	1.5
247.16956	2.2
250.17093	0.8
251.17989	1.3
253.19412	1.0
255.17511	2.3
255.21117	2.5
257.22562	1.4
259.16998	2.1
263.17975	1.3
265.19592	1.2
267.21283	1.2
269.18915	1.5
269.22733	1.7
277.19586	1.1
279.21127	0.8
281.19012	2.9
281.22208	0.9
283.20639	0.8
283.24268	1.3
285.22296	1.0
291.21179	1.4
293.22586	1.2
299.20184	1.3
299.23669	2.1
309.22113	2.5
309.25540	1.0
313.21625	1.3
317.83499	1.0
323.23602	1.6
325.25443	1.4
327.23285	3.7
327.26682	0.8
341.24799	1.9
345.25705	0.8
359.27759	1.1
361.28830	1.9
363.26956	1.0
367.26321	1.1
375.30951	0.8
376.31265	1.3
377.27856	0.8
377.32129	3.7
379.29959	4.2
391.33646	2.9
393.31390	1.9
401.32043	7.7
409.34689	2.7
419.33096	28.1
420.33429	1.8
437.34174	100.0
437.70389	0.7
438.34698	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3411
Annotation	Alertenone
Peak:m/z	Relative Intensity
52.83236	1.2
53.03940	1.2
55.05507	7.3
57.07074	6.4
59.23064	1.2
67.05495	13.9
69.03424	2.0
69.07061	21.5
70.66845	4.2
71.08617	1.3
79.05486	8.0
81.07047	28.8
83.04993	1.6
83.08625	7.1
91.05470	9.9
93.07043	14.4
95.04982	1.8
95.08603	47.3
97.06535	1.7
97.10173	4.4
105.07029	18.5
107.08591	24.6
109.06448	2.4
109.10152	33.0
110.22175	1.4
111.08070	2.3
111.11736	7.9
117.07048	3.3
119.08574	21.7
121.06509	2.1
121.10127	27.4
122.10475	1.2
123.08096	6.2
123.11697	17.7
129.06985	1.7
131.08589	4.9
133.10126	18.5
135.08046	24.6
135.11685	13.2
137.13234	10.1
139.11192	1.5
143.08521	5.7
145.10104	11.5
147.08054	6.3
147.09111	1.4
147.11652	15.2
149.09593	5.9
149.13225	7.9
155.08572	2.8
156.09343	2.2
157.10092	11.2
158.10823	1.2
159.08055	4.8
159.11667	10.4
159.12744	1.2
161.09604	17.4
161.13252	9.1
163.11244	2.5
163.14798	3.8
169.10153	4.3
170.10922	2.6
171.08034	2.1
171.11702	10.6
173.09612	10.5
173.13283	7.9
175.11214	5.5
175.14748	9.8
177.16406	2.8
179.18039	1.8
182.10928	2.2
183.11673	6.0
185.09654	5.1
185.13216	12.1
186.10495	2.6
187.11125	5.7
187.14847	5.6
189.12711	6.4
189.16444	4.8
191.14355	3.8
191.17990	9.9
195.11719	2.3
196.12466	1.3
197.09714	1.4
197.13263	4.9
198.10617	1.8
199.11130	6.2
199.14922	5.6
200.11931	2.0
201.12837	5.4
201.16386	2.7
203.14284	14.3
203.18019	3.2
205.19562	2.2
206.11076	1.3
207.11714	1.5
209.13277	2.7
209.15128	1.3
211.11232	2.5
211.14868	3.4
213.12784	7.8
213.16403	4.5
215.14281	24.6
215.17870	3.0
217.15936	3.2
217.19484	10.6
219.13670	1.9
219.21063	2.2
221.13376	1.6
223.11214	1.5
223.14815	4.0
225.12756	3.4
225.16350	2.2
227.14360	5.0
227.18048	3.4
229.15901	4.9
229.19487	2.2
231.13788	55.2
232.14246	2.0
233.15436	1.4
237.16374	2.0
239.14441	3.0
239.17899	2.8
241.15916	5.0
243.21107	1.5
245.15358	2.5
245.18976	1.6
253.19633	2.4
255.17339	5.6
255.21103	7.2
259.16962	2.4
267.17438	3.0
269.22574	2.5
281.19006	3.9
281.22461	1.5
283.20468	1.2
285.18460	1.8
287.20117	1.7
299.20020	2.0
309.22183	1.6
323.23669	2.1
327.23190	2.1
351.26877	1.7
375.30716	1.5
377.32281	2.0
379.29935	2.6
391.33804	4.4
393.31085	1.6
401.32306	2.7
409.34644	3.8
419.33075	70.4
420.33405	5.0
437.34207	100.0
438.34644	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1441
Annotation	Nothofagin
Peak:m/z	Relative Intensity
53.03952	0.6
55.01860	2.0
55.05529	0.4
67.05488	0.6
69.03421	0.9
70.15039	1.8
73.67142	0.5
79.05486	1.4
81.03401	0.8
83.04971	0.5
85.02908	3.3
91.05478	1.2
93.03428	0.5
95.04961	2.1
95.08611	0.7
97.02892	1.1
103.03918	0.7
107.04949	100.0
108.05261	1.4
109.02865	0.9
119.04959	3.3
121.02883	1.8
121.06488	0.5
123.04421	13.7
125.09676	0.7
127.03907	1.1
131.04903	0.9
135.04390	0.9
137.02321	0.8
139.03888	4.5
145.06506	0.7
147.04405	5.4
149.05965	1.6
151.03885	5.0
153.01820	1.9
154.02182	0.7
161.06009	1.2
163.03911	4.6
165.05486	2.9
169.05022	1.2
173.05901	1.0
175.03914	1.0
177.05350	0.7
179.03343	0.5
181.04938	4.1
185.05981	0.5
189.05397	1.0
191.03387	7.5
193.04956	8.0
203.03381	0.5
205.04979	2.7
207.06520	3.0
211.06020	4.2
217.04820	0.5
229.04979	1.2
235.06010	6.1
237.02702	0.5
241.04936	1.3
243.06549	0.8
247.05975	4.0
259.06049	2.7
267.06528	0.5
269.08154	1.2
273.07791	0.5
275.02054	0.4
275.09131	3.0
277.07074	1.7
285.07639	3.3
287.05765	1.0
287.09161	5.0
295.08212	0.5
297.07672	0.7
299.08987	3.7
313.49017	0.5
317.06625	1.0
317.10138	6.7
335.09201	0.9
341.10220	11.3
343.08118	3.3
347.09021	0.5
353.10162	9.4
365.10168	4.1
371.11337	0.7
383.11273	3.1
395.11353	1.0
401.12195	1.7
419.12088	0.7
437.13412	0.7
437.21069	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19802	1.5
53.03938	1.9
55.05505	15.5
57.03439	3.2
57.07077	2.6
59.04991	3.1
61.83615	1.8
65.03947	1.8
67.05501	77.7
69.07070	9.3
70.07428	1.6
71.04984	9.7
79.05489	23.4
81.03444	3.6
81.07053	100.0
83.04980	6.4
83.08609	13.3
85.06531	15.5
90.27057	1.7
91.05482	16.8
93.07040	31.4
95.04971	5.7
95.08596	16.0
97.06545	5.1
97.10187	2.4
99.04481	1.9
105.07036	11.9
107.04964	2.5
107.08598	21.3
109.06555	2.7
109.10136	13.3
111.08096	4.2
117.07029	5.4
119.08607	6.3
121.06491	1.7
121.10126	14.0
123.04499	2.9
123.08138	2.0
123.11710	14.8
129.06987	1.7
131.08586	5.3
133.10124	14.4
134.10422	1.7
135.08113	2.0
135.11664	7.6
137.09645	2.3
145.10199	3.1
147.04385	1.6
147.11760	4.8
149.13255	16.8
151.11221	3.7
159.11664	8.6
163.11147	2.8
169.12276	3.5
177.12755	2.4
187.13289	11.6
195.13857	8.0
201.16464	1.7
237.95845	1.5
239.17838	1.7
263.47800	1.7
372.82550	1.7
419.33545	2.5
437.20148	22.2
437.29211	72.8
437.33966	5.5
438.19849	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.5
52.22524	0.4
53.03939	0.6
55.01876	0.6
56.77000	0.5
56.96551	0.6
57.03420	0.8
69.03432	4.3
70.93829	0.6
70.94164	0.8
72.08173	0.5
73.02887	0.6
79.01834	2.2
81.03049	0.4
81.03423	4.9
85.02899	6.1
87.04477	0.6
91.05473	0.6
97.02890	3.4
98.03186	0.4
98.40628	0.5
98.97592	0.6
99.04430	0.7
107.01304	1.7
107.04971	0.5
109.02864	4.9
123.04407	1.8
125.02334	4.3
127.03913	8.6
133.50226	0.4
137.05927	0.6
138.05460	0.5
139.03900	3.7
143.03371	7.0
145.04967	0.9
147.04408	1.8
153.01819	100.0
154.02130	1.5
163.03964	0.7
165.01724	0.4
165.09361	0.5
167.03255	0.4
167.07079	0.4
171.02876	10.4
175.03783	0.4
179.03365	0.8
183.03014	0.6
185.04381	0.6
191.03465	0.8
195.02870	0.4
200.73778	0.4
207.02864	0.7
209.08237	0.4
211.13527	0.4
219.02751	0.4
221.04527	0.4
221.78069	0.4
227.98883	0.5
233.04478	0.5
247.02469	0.8
275.32138	0.5
279.04935	0.8
283.10092	0.4
287.05179	0.7
297.06049	3.7
315.07065	12.3
355.58676	0.4
383.07813	0.4
437.16257	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1437
Annotation	Licoagroside F
Peak:m/z	Relative Intensity
55.01865	0.9
55.05501	0.9
61.02924	0.6
67.05495	0.7
69.03411	1.4
69.07055	1.2
70.06571	0.5
70.92726	0.8
70.93073	1.1
73.02904	0.6
79.05487	1.6
81.03397	1.4
81.07048	1.5
85.02901	6.8
91.05509	1.1
93.07050	1.4
95.04946	1.5
95.08594	1.5
97.02876	1.5
103.03949	0.6
105.07021	1.7
107.04948	100.0
107.08589	2.1
108.05299	0.8
108.08920	0.8
109.02868	0.6
109.06460	0.7
109.10143	1.4
115.59142	0.5
116.12022	0.5
119.04926	1.8
119.08584	1.8
120.08888	0.8
121.02868	2.5
121.06474	1.8
121.10165	1.3
122.10476	0.6
123.04414	8.7
127.03933	3.1
131.04904	1.8
133.06444	0.7
133.10130	0.8
135.04391	1.2
137.13211	0.5
139.03859	1.8
145.06503	0.5
147.04416	5.7
147.11700	0.9
148.08374	0.5
149.05975	6.1
151.03891	4.1
151.07510	1.2
153.01790	1.1
153.05615	0.6
161.05994	1.6
161.13222	1.1
162.13651	2.0
163.03925	4.1
165.01826	1.0
165.05499	1.9
165.09171	1.0
166.09561	1.0
169.04964	5.5
173.05977	3.0
181.04959	3.3
183.02867	0.8
187.07471	0.7
189.05452	1.0
191.03398	14.2
191.07080	1.2
193.04950	4.6
201.05574	0.5
203.03471	0.9
203.17935	0.8
205.04953	1.1
207.02885	1.0
207.06529	1.8
207.13815	1.5
208.14119	3.2
211.06042	2.8
215.07005	0.9
219.02884	1.4
221.04601	0.6
221.15367	1.2
221.88051	0.5
222.15730	1.7
229.04857	0.7
231.06689	0.9
235.06070	3.9
239.16458	0.8
240.16841	1.4
241.05186	0.7
243.06506	1.6
247.02339	1.3
247.06058	2.1
257.08112	0.6
257.18924	0.8
259.06122	1.5
269.08160	0.6
275.01877	7.6
275.09097	11.9
275.13831	1.2
275.20038	0.7
277.06854	0.8
285.07501	5.2
287.09097	3.8
289.05899	0.8
290.06219	0.9
291.06451	0.7
293.02866	1.3
299.08972	3.5
317.06583	3.8
317.10217	6.4
335.08981	0.6
341.10117	7.4
343.07965	3.2
353.10144	5.0
361.20526	0.5
365.10181	2.1
383.11035	1.4
395.11166	2.5
401.12317	1.2
437.14191	5.4
437.21317	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	437.123
Annotation	Epigallocatechin 3-O-cinnamate
Peak:m/z	Relative Intensity
51.02380	0.7
60.17728	0.5
65.03934	1.9
67.05491	1.2
68.99783	1.3
69.70885	2.2
69.71313	1.3
77.03897	0.6
83.04955	0.7
83.58699	0.5
91.05476	5.7
93.03400	0.8
95.04980	1.3
105.03365	1.1
111.00800	0.9
111.04428	4.5
119.04935	14.1
121.02869	1.7
123.04420	74.9
124.04750	1.1
134.99693	0.6
135.04422	1.2
139.03891	100.0
140.04227	1.2
147.04396	46.8
151.03870	8.0
161.05969	1.1
163.03932	1.5
165.05450	0.8
182.82922	0.5
189.05409	0.8
191.03375	10.8
207.06410	0.6
231.06380	1.1
243.06674	1.2
255.06471	1.0
273.07538	6.3
285.07645	1.4
315.39072	0.5
317.06650	0.8
343.08093	4.5
395.11127	0.8
437.21664	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.7
51.97518	0.4
53.03931	0.6
55.01862	2.3
55.45568	0.5
56.70800	0.4
65.03935	1.4
67.05483	1.3
68.99785	1.1
69.03402	1.0
70.55611	1.4
73.26557	0.4
75.70309	0.4
79.05474	3.1
81.03412	0.7
81.07044	1.1
85.02882	1.3
85.06517	0.4
91.05475	4.3
93.03403	2.0
95.04972	3.9
95.08604	0.9
97.02864	1.1
97.06449	0.5
105.03371	0.8
105.07008	1.4
107.04935	6.2
109.02925	0.7
109.10144	0.9
111.04424	1.3
115.05440	1.0
119.04092	0.8
119.04919	10.0
121.02852	9.4
121.06467	0.5
123.04415	46.1
124.04741	0.6
127.03853	0.7
129.06992	0.5
131.04892	1.4
133.06471	1.2
135.04402	10.2
137.02316	2.7
138.98657	0.5
139.03867	1.8
141.01843	0.5
143.04901	1.5
145.02815	1.5
145.06413	0.7
147.04395	32.5
148.04828	0.5
149.05997	0.7
151.03854	1.1
153.01817	2.3
153.05452	0.6
154.13097	0.4
155.14268	0.7
157.06424	0.6
159.04358	0.8
161.05959	6.2
163.03885	12.4
165.01799	2.6
165.05449	7.2
165.08859	0.5
167.07100	0.7
169.06487	0.6
173.05914	0.8
175.03867	1.1
177.05420	1.5
179.03349	3.1
179.07018	2.8
181.04904	0.8
181.08629	0.4
182.05286	1.0
183.02858	3.2
185.05927	0.8
187.03914	0.6
189.05446	2.6
191.03372	100.0
192.03789	2.5
192.07735	0.5
195.02882	1.5
197.05956	1.2
201.05482	1.2
203.03383	5.4
203.06937	0.5
205.04907	1.8
207.02850	1.8
207.06496	8.6
209.04376	0.8
213.05551	0.6
214.66492	0.5
215.06987	0.8
221.04399	3.8
225.05594	0.7
225.88937	0.4
231.06429	2.7
233.04408	2.5
243.06487	8.5
249.07480	1.1
255.06517	0.7
273.07541	1.2
285.07553	20.1
297.07516	1.5
299.05801	0.6
315.08200	0.5
317.06503	10.0
325.07071	1.5
343.08093	35.4
344.08502	1.4
395.11191	12.8
396.11731	0.6
401.12497	0.8
437.12430	4.6
437.21378	1.4
462.17410	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.8
52.22911	0.4
53.03931	1.2
54.53056	0.4
55.01871	1.5
65.03915	0.6
67.05494	1.2
68.99792	1.7
69.03406	0.5
70.17439	2.3
75.42071	0.5
79.05481	3.0
81.03402	0.9
81.07043	1.1
85.02892	1.4
91.05467	6.0
93.03407	4.1
95.01324	0.6
95.04953	4.8
95.08598	0.6
97.02856	1.0
105.03364	0.6
105.07012	0.7
107.04942	5.7
107.08564	0.7
109.02892	0.8
109.10151	0.5
111.00779	0.6
111.04430	1.0
115.05423	0.8
115.54084	0.5
119.04939	13.2
119.08554	0.8
121.02873	7.9
121.10078	0.6
123.04420	54.9
124.04717	0.8
131.04869	0.7
133.06473	1.4
133.10109	0.7
135.04407	8.6
135.11717	0.5
137.02345	2.3
137.05954	1.5
139.03917	2.5
143.04903	1.8
145.06471	1.3
147.04399	39.7
148.04745	1.7
149.02304	0.6
151.03848	1.1
151.07552	0.7
153.01810	5.5
153.05548	0.5
157.06471	0.7
159.04451	0.7
161.05960	8.5
163.03900	12.4
165.00507	0.9
165.01830	8.8
165.05478	9.2
165.09056	0.6
169.06493	0.9
171.04405	0.5
175.03871	0.9
177.05481	1.6
179.03412	3.1
179.07013	3.6
183.02901	9.9
183.04424	0.7
185.05984	0.7
189.05435	3.9
189.51808	0.5
191.03380	100.0
192.03766	2.5
195.02922	3.4
197.05991	3.2
201.05525	1.4
203.03415	3.1
203.05070	0.7
205.04991	1.2
207.02940	1.1
207.06528	11.2
209.04431	1.9
214.23854	0.5
221.04448	1.7
225.05441	0.7
231.06480	5.0
233.04488	1.4
243.06516	15.7
244.06967	0.6
245.08081	0.8
249.07603	0.6
255.06577	1.0
273.07507	2.5
275.20145	0.6
285.07553	43.9
286.07886	2.4
297.07483	1.6
298.35165	0.5
299.05515	2.2
317.06531	34.7
318.06894	2.1
325.06970	0.9
343.08078	12.9
344.08316	1.1
377.10281	2.2
395.11240	21.7
396.11456	1.6
419.11099	1.0
437.12546	2.4
437.21387	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	436.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.4
57.07071	1.4
60.50746	0.5
61.02930	0.8
65.03943	0.6
67.05502	7.3
69.03418	2.2
69.07062	3.4
70.48386	0.6
70.48737	2.3
71.08620	0.9
78.18505	0.6
79.05479	2.1
80.05826	0.6
81.03411	1.5
81.07053	13.6
83.04998	0.7
83.08612	6.0
85.02896	11.6
85.10158	0.9
91.05463	1.8
93.07041	3.5
93.97268	0.5
95.04963	1.3
95.08600	34.6
97.02897	4.2
97.10139	2.7
97.80488	0.5
105.07004	2.5
107.04951	0.7
107.08594	3.0
109.06430	0.6
109.10152	37.6
119.08572	12.8
121.06432	0.7
121.10140	4.8
123.08045	0.8
123.11701	24.4
125.09601	1.3
127.03891	2.2
131.08598	0.8
133.10117	4.7
135.11674	7.3
137.06000	0.8
137.09618	1.3
137.12177	1.0
137.13246	16.8
145.04941	1.1
145.10117	0.9
147.11658	2.9
149.13286	3.2
151.11198	0.7
151.14793	0.8
159.11748	0.6
160.12311	0.6
161.13242	0.8
163.14819	1.3
165.16420	1.6
167.06996	0.8
168.17358	0.6
179.17949	32.3
181.04929	0.9
189.16368	25.9
204.12892	0.6
207.17426	40.2
225.18474	25.0
226.18855	0.6
239.20044	100.0
240.20317	1.4
257.21109	21.9
257.23846	1.1
344.22894	0.8
418.15497	0.9
418.26550	1.1
436.27890	1.8
437.25330	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	436.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05837	1.4
51.39783	1.6
52.23693	1.3
53.03942	1.5
55.01876	2.3
55.05503	3.2
56.95984	1.5
57.03429	7.9
58.69160	1.5
61.02921	2.2
64.86678	1.4
65.03943	1.4
67.05486	3.0
69.03430	6.5
69.07070	4.8
69.46748	8.4
69.47180	4.8
71.04994	33.4
72.05318	10.5
73.02904	1.8
73.05391	2.8
78.00066	1.3
79.05484	11.1
81.03411	3.9
81.07050	6.0
83.04989	1.7
85.02901	44.0
86.03232	10.4
87.03327	3.2
90.99741	1.4
91.05474	13.1
93.03386	2.0
93.07035	18.3
95.04975	5.6
95.08595	7.8
97.02898	5.1
100.39288	1.6
103.05460	3.6
105.07024	34.1
107.04950	81.1
107.08580	65.1
108.05334	1.9
108.08926	1.8
109.06525	1.5
109.10144	3.0
111.04424	2.2
119.04959	4.3
119.08572	52.1
121.02877	6.7
121.06482	5.2
121.10136	42.2
122.03185	2.7
123.04415	22.6
123.08053	7.8
127.03938	4.8
128.06223	1.9
129.05492	3.6
129.07004	3.2
130.05826	4.5
131.04958	3.2
131.08507	2.0
133.06511	12.0
133.07501	2.5
133.10126	7.0
135.04407	5.8
135.08078	4.6
135.11702	3.2
137.05962	3.5
137.09637	2.5
139.03922	2.3
143.14442	1.5
145.06476	3.0
145.10139	4.6
147.04393	14.8
147.08029	6.6
147.11664	4.3
149.05974	6.4
149.09625	2.9
151.03865	4.6
151.07532	26.9
152.07907	2.2
153.01843	3.8
153.05496	1.7
157.06499	2.8
159.08052	1.9
161.05978	5.6
161.09627	3.1
161.13249	75.9
162.06313	1.9
162.13597	2.7
163.03874	9.0
164.07938	1.6
165.01822	2.6
165.04224	1.7
165.05476	4.6
165.09096	43.0
166.09441	1.9
167.07060	9.2
168.07417	4.5
169.04980	5.5
173.05956	3.3
175.07497	1.6
179.03342	1.5
179.10695	6.8
179.14310	11.1
181.04970	6.8
181.08589	9.9
182.05382	2.0
182.08977	7.8
183.02985	1.6
189.05568	1.8
189.09100	6.9
189.12721	13.4
190.09444	6.8
191.03378	32.6
193.04979	4.9
195.07854	1.9
207.06464	3.8
207.13792	100.0
208.14124	4.8
219.02773	1.5
221.15344	69.4
225.08826	2.1
225.14827	3.2
226.09479	1.5
227.07025	2.0
238.09286	1.5
239.16403	71.0
241.08443	1.7
243.06601	3.9
247.05968	1.8
253.08546	2.2
257.19046	3.2
269.07535	1.7
270.08566	2.0
275.01938	9.3
275.09131	9.4
275.20056	2.2
284.10043	1.9
285.07581	14.5
286.11612	4.1
287.05502	13.8
287.08624	2.9
288.05823	35.0
289.06052	37.8
290.06296	59.2
297.11206	1.7
299.09180	2.9
312.06055	1.6
316.12573	3.6
317.06580	9.0
317.09921	2.6
317.13489	1.7
318.14294	4.2
341.10248	6.2
343.08078	7.1
344.15753	3.3
347.14401	2.1
353.10214	3.7
360.15491	4.2
361.16150	12.3
362.16736	12.3
365.10229	2.1
395.11252	5.1
418.15820	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	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.7
55.44594	0.7
57.03434	4.4
61.02910	0.7
66.59283	0.7
69.03424	1.3
69.69631	1.3
69.70041	4.7
70.06586	5.2
75.04465	2.9
79.05482	2.1
81.03413	1.2
81.07053	0.9
81.43761	0.7
85.02402	1.0
85.02888	6.6
91.05475	1.4
95.04971	1.1
97.02884	1.4
103.05444	1.9
105.07030	25.8
107.04948	2.3
119.04947	1.4
123.04416	6.8
124.04781	2.2
133.06485	60.5
134.06812	1.0
135.04404	0.7
137.05969	100.0
138.06345	0.8
138.91043	0.9
139.03909	1.6
147.04424	2.0
149.06110	0.8
151.03955	0.8
151.07439	1.4
163.03857	1.5
163.07573	4.9
163.08768	0.8
165.09108	35.6
165.96577	0.7
175.07555	3.8
177.05452	2.8
177.09113	0.9
180.07750	0.8
181.08636	2.1
181.76010	0.7
183.10164	25.7
203.10657	1.9
209.11761	1.8
221.11749	4.6
234.11105	0.9
239.12704	3.8
247.06067	0.8
257.13834	64.7
258.14264	1.1
273.07367	1.1
274.07849	1.6
284.06305	1.9
395.06589	0.9
413.07489	1.1
436.11002	2.9
436.16403	1.9
458.43790	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
57.03416	0.5
57.22948	0.3
61.02913	0.4
67.05511	0.7
69.03414	1.2
69.50275	1.1
69.50705	1.7
70.06574	0.7
71.04975	0.3
74.06062	0.9
79.05482	0.4
81.03390	0.4
85.02899	3.2
87.04473	0.4
95.04959	1.6
97.02876	1.1
107.04931	0.5
109.02834	0.7
109.06519	0.5
111.04441	0.5
113.16450	0.3
114.07427	0.3
121.06586	0.3
122.03616	0.8
123.04418	23.6
123.07957	0.4
124.04725	1.8
125.02355	0.4
125.04971	0.5
126.83076	0.3
127.03865	0.6
135.04350	0.5
137.05960	1.5
139.03877	0.9
140.04697	2.9
145.04939	0.6
146.07042	0.3
147.04407	0.8
153.01830	3.0
162.07629	0.4
163.03928	0.4
165.05421	1.5
168.04166	2.2
171.06548	0.7
174.97568	0.3
175.14816	0.4
177.05324	0.3
183.06516	100.0
184.06790	1.7
193.04991	1.1
197.08064	0.6
200.31516	0.3
225.07555	23.4
226.07816	0.6
239.12700	0.5
243.08638	7.4
256.19000	0.4
257.10187	19.1
273.07544	0.9
274.07889	0.8
275.08102	1.1
297.06073	0.4
315.07150	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.274
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03935	3.3
55.01862	4.2
55.05506	18.9
57.03434	12.0
57.07061	2.9
59.04996	1.5
65.03928	3.9
67.05500	82.1
69.03423	2.3
69.07066	18.7
70.74212	2.7
70.74573	3.2
71.01350	3.9
71.04977	5.0
79.05489	52.3
81.03420	7.7
81.07051	43.2
83.04977	11.3
83.08607	8.1
85.06541	10.5
87.01068	1.5
91.05473	31.4
93.07039	61.4
95.04961	14.6
95.08597	19.8
97.06528	12.2
97.10162	11.7
99.08045	2.4
103.05521	1.7
105.04525	2.1
105.07022	19.6
107.04960	5.4
107.08597	38.4
109.06498	5.3
109.10159	29.5
111.08080	3.4
117.07025	6.5
119.08569	18.7
121.06493	3.3
121.10113	9.4
123.04449	2.1
123.08051	2.7
123.11753	2.1
125.09608	3.7
129.06998	4.5
131.08546	5.1
133.06448	1.9
133.10120	9.2
135.08047	3.2
135.11681	53.8
135.12701	2.9
137.05960	3.3
137.09636	3.5
143.08530	5.7
145.10112	17.8
147.07999	2.4
147.11682	9.0
149.09692	2.0
149.13176	1.4
151.11191	1.9
153.12733	2.9
157.10097	3.3
159.11674	4.4
161.09648	1.8
161.13257	5.0
163.11145	10.4
167.07050	4.0
171.11649	7.6
173.11722	4.4
173.13257	1.7
181.04939	6.3
181.10844	1.8
181.12193	12.3
183.11624	2.3
185.13263	2.9
189.12679	2.3
199.13242	4.9
207.13774	7.2
233.08144	2.9
272.99969	1.8
273.18625	1.8
325.21512	2.0
343.22510	4.6
417.15439	1.9
417.26056	3.0
429.02747	1.7
435.27353	100.0
435.32455	7.5
436.27710	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	435.3256
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
55.05504	2.1
57.07074	3.0
60.97328	1.7
62.94944	2.0
65.03931	6.2
67.05502	60.8
69.07072	10.3
69.96350	4.6
69.96768	5.7
71.04986	3.1
71.08633	1.9
71.39933	1.6
74.26971	1.7
79.05484	5.4
79.73183	1.7
81.07050	10.4
83.08599	3.6
85.06535	6.6
91.05458	4.6
93.07035	5.4
95.04967	63.7
95.08602	21.6
97.06522	2.8
105.07053	9.1
107.08572	6.0
109.10149	17.8
111.11681	4.3
113.06001	100.0
117.07021	1.9
119.08588	24.2
121.10143	8.6
123.11686	4.2
125.05961	2.8
131.08577	7.3
133.10135	10.5
135.11674	2.8
137.13272	4.4
143.08574	6.2
145.10095	14.1
147.11691	4.9
153.42401	1.7
154.08730	1.9
155.08525	4.1
156.09396	3.7
157.10129	10.1
159.11655	15.8
161.09558	2.2
161.13313	4.3
169.10146	18.8
170.10925	3.0
171.11716	7.3
173.13264	4.3
175.14894	3.0
183.11667	15.1
184.12495	3.8
185.13255	12.7
187.14828	4.0
191.17976	3.3
195.11693	2.6
196.12271	1.7
197.13223	3.7
199.14833	4.9
201.16396	2.4
203.14339	2.3
203.17990	4.2
207.13803	1.9
209.13231	4.0
211.14888	3.8
213.16405	2.8
217.19540	4.5
225.16469	2.7
227.17831	2.1
227.83661	1.7
231.13876	7.0
271.17004	2.9
293.22470	1.9
297.18506	4.4
307.24249	12.7
308.24969	2.2
321.25836	3.9
322.22626	1.5
322.26498	43.1
323.27332	10.9
337.29071	2.9
389.32129	3.1
393.31650	2.3
417.31485	4.5
435.32632	96.0
436.32938	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	435.2737
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03930	4.0
55.01868	9.1
55.05509	25.0
57.03410	7.5
57.07056	2.4
60.23077	1.5
60.84956	1.5
65.03908	5.5
67.05499	43.9
69.03410	6.3
69.07065	15.7
70.15065	8.2
71.04998	3.5
75.04930	1.8
76.11362	1.7
79.05056	2.7
79.05486	36.5
81.03413	9.1
81.06577	3.1
81.07049	47.5
83.04956	6.0
83.08605	11.7
85.06516	5.8
91.05474	38.4
93.07041	33.8
95.04961	60.0
95.08593	30.3
95.71652	1.6
96.82993	1.7
97.02833	1.9
97.06504	6.3
97.10159	17.8
97.25076	1.8
98.21422	3.0
103.05485	2.4
105.07021	33.4
107.04285	2.3
107.04949	26.4
107.08584	26.0
108.05285	1.7
109.06530	8.6
109.10153	18.7
111.04440	3.7
111.08032	3.5
115.05419	3.8
117.07010	13.4
119.04939	2.5
119.08583	19.9
121.06485	24.0
121.10110	11.2
123.04427	4.4
123.08049	7.3
123.11663	4.0
125.05991	2.2
125.09611	9.7
128.06197	3.6
129.07019	13.6
131.04941	2.8
131.08553	21.1
133.02759	1.7
133.06465	7.5
133.10130	17.1
135.04388	2.7
135.08043	8.1
135.11665	10.6
137.06021	2.7
137.09641	2.5
137.13223	2.3
141.06982	3.9
143.08528	9.5
145.06464	6.5
145.10118	17.6
147.08049	10.1
147.11668	6.4
149.05986	2.5
149.09621	6.4
149.13293	3.2
151.11160	2.2
153.09151	3.7
153.12729	1.9
155.08604	5.3
157.06444	2.8
157.10085	11.7
159.08017	5.6
159.11685	7.4
161.09595	7.8
161.13290	3.1
163.11125	8.2
163.14764	2.1
163.29712	1.9
167.07034	8.0
167.08417	2.5
169.10089	4.6
171.08031	3.9
171.11626	12.5
173.09663	2.6
173.11845	2.3
173.13274	6.3
175.11176	6.1
177.12775	5.3
181.04930	13.3
181.10127	3.1
183.11719	4.8
185.09515	2.2
185.13254	3.0
187.11159	3.3
187.14751	2.2
189.09085	5.0
189.11174	5.5
189.12756	5.0
191.14281	3.6
193.12227	3.1
197.13161	2.3
199.11121	4.8
199.14795	1.8
201.12749	3.6
203.14384	2.1
205.12303	4.2
207.13821	2.1
209.08171	2.6
213.12854	2.3
217.12358	2.9
217.14264	3.4
223.13252	5.4
229.15961	2.1
231.13773	4.0
233.08057	5.7
249.14778	4.6
297.22229	2.0
315.23184	3.5
325.21481	13.2
343.22647	77.0
344.22906	2.5
361.23724	20.9
381.24228	2.1
399.25171	5.1
417.15497	3.3
417.26328	73.8
418.26648	6.6
435.27335	100.0
435.32272	4.6
436.27441	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	435.2505
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
55.05503	21.3
56.96552	5.4
57.03432	9.7
57.07066	6.1
57.28970	4.2
61.02927	5.7
67.05499	60.4
69.07063	35.9
69.95462	17.6
71.08617	5.4
73.02923	4.0
79.05489	19.5
81.03404	3.8
81.07051	75.6
83.08615	17.5
85.02905	4.2
85.06535	4.2
91.05482	20.4
93.07023	28.6
93.28378	3.5
95.04942	9.3
95.08607	62.4
97.06542	5.3
97.10156	8.0
98.98459	51.2
101.79306	3.8
101.96407	3.4
105.07010	16.8
107.08601	25.2
107.32696	3.9
109.06490	10.4
109.10157	31.0
111.08054	6.4
119.08527	17.2
121.10135	23.8
123.11697	9.0
125.09646	4.1
129.06944	4.5
131.08543	10.0
133.10135	22.3
135.11659	6.5
137.13239	4.9
143.08580	4.4
145.10156	10.6
147.08049	3.7
147.11688	12.7
149.09630	4.4
149.13246	8.6
154.23764	4.0
155.01041	27.0
157.10054	7.6
159.11658	15.7
161.09668	4.8
161.13237	10.9
163.11102	4.5
163.14825	5.1
169.10080	6.0
170.41498	4.4
171.11691	9.1
173.02112	11.7
173.13220	6.8
175.14806	7.7
177.97539	3.6
183.11594	4.0
185.13202	6.6
189.12807	5.5
189.16341	5.2
197.13216	5.1
199.14807	4.3
201.16252	7.1
211.14662	4.5
215.17903	4.7
229.07478	16.0
245.22636	10.6
247.08470	13.6
252.09073	4.7
263.23663	26.2
283.65176	3.6
296.10190	8.2
335.26340	4.2
337.27338	100.0
417.32037	12.0
435.21259	6.1
435.32822	90.2
435.71274	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	435.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03864	0.8
55.01804	1.1
55.05434	1.0
56.61409	0.6
57.03358	1.5
61.02845	1.4
62.86765	0.6
65.03858	1.1
67.05395	2.0
69.03315	7.5
69.03719	1.4
69.06956	8.5
69.07367	1.1
70.04729	0.6
71.04906	1.4
71.13829	0.7
71.14166	1.0
73.02831	1.3
79.05391	1.9
80.06809	0.6
81.03294	2.4
81.06940	4.9
83.04858	2.2
85.02785	22.7
85.03354	2.1
86.03061	0.6
87.04388	0.8
91.05364	2.5
92.14819	0.7
93.07022	3.0
95.04848	1.8
95.08479	2.6
97.02882	4.3
97.06448	1.4
97.07017	0.9
99.04368	1.5
103.03857	0.7
103.05365	0.9
105.06907	1.8
105.29686	0.6
106.04082	1.0
107.04809	1.7
107.08482	2.1
109.02750	2.4
109.06393	1.8
109.10042	1.7
115.05333	1.0
117.06889	1.1
119.08452	2.7
121.02745	2.4
121.06493	14.1
121.10064	1.7
123.04294	2.2
127.03905	4.0
129.06963	1.2
131.04872	0.7
131.08426	2.2
133.06372	1.2
133.10022	0.8
135.04311	1.5
135.07945	1.9
135.11586	1.5
137.05875	1.1
141.06918	1.0
142.07719	0.8
143.08566	1.5
145.04913	1.2
145.06364	4.2
145.10004	1.8
147.04233	1.4
147.08022	9.1
147.11559	0.8
149.05910	1.3
153.01715	2.1
155.08470	1.5
157.06439	1.2
157.10045	1.4
158.07242	1.6
159.06879	0.8
159.08047	13.7
159.11636	1.0
161.05908	1.6
161.09610	1.2
163.03842	1.3
163.07407	1.8
167.06963	2.9
167.08479	2.4
170.07077	0.8
171.08037	33.1
172.08794	3.3
173.05916	0.9
173.09598	4.4
177.05391	1.8
179.08481	1.6
181.04987	4.3
181.06390	1.3
181.10078	0.9
183.07962	2.2
184.08763	0.7
185.04179	1.1
185.05873	0.9
185.08060	1.3
185.09604	20.9
185.13103	1.8
186.10052	0.8
187.07535	6.9
187.14742	0.7
194.10875	1.3
195.08035	9.6
195.11594	2.3
197.09528	3.6
198.06717	1.4
198.10297	2.3
199.07487	5.9
199.09248	0.8
199.11143	4.5
199.14771	1.2
200.08281	1.3
201.09126	1.5
207.08051	1.1
208.08884	0.8
209.07994	1.6
209.09688	1.1
209.13188	1.7
210.13911	0.9
211.07513	1.7
211.11105	3.3
212.08337	1.5
212.11946	10.3
213.09094	14.0
213.12657	5.1
214.09700	0.7
220.12286	0.7
222.10402	5.8
225.12828	0.8
226.09839	0.8
226.13344	0.9
227.14278	85.3
228.14624	3.1
233.08000	1.7
237.12686	9.8
240.11371	2.2
255.13779	100.0
256.14111	3.1
269.15283	2.1
273.11026	27.0
273.14856	85.5
274.11288	1.8
274.15265	3.3
279.13565	0.7
285.07529	0.9
297.14862	2.5
315.15933	1.7
389.20001	0.8
398.13242	1.2
417.19159	12.8
426.20428	0.6
435.20532	87.6
436.21185	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	435.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08842	1.3
53.03940	1.7
55.05501	3.5
56.96569	1.6
61.02938	1.6
62.46696	1.3
63.47116	1.2
63.93547	1.2
65.03928	1.8
67.05508	4.8
67.33977	1.1
69.03423	5.4
69.07077	9.6
71.59861	1.8
73.02912	1.4
78.13138	1.1
79.05477	6.9
81.03419	3.0
81.07050	11.0
82.07384	1.5
83.04976	1.9
83.08618	1.4
85.02907	8.0
85.06585	1.3
87.04394	1.5
87.79225	1.2
91.05458	6.9
93.07026	6.1
93.65123	1.2
95.04962	5.1
95.08604	6.3
97.02888	3.8
97.06520	2.0
105.07005	6.3
106.04151	1.3
107.04970	7.3
107.08581	4.0
109.06516	2.6
109.10162	4.3
111.03061	1.4
113.05975	1.5
117.07055	1.4
119.04930	2.6
119.08585	4.9
121.02872	4.4
121.06491	10.2
121.10132	2.7
123.04427	5.1
123.08096	1.5
123.11769	1.7
127.03925	2.5
131.08551	4.2
133.10121	2.9
135.04393	2.6
135.08087	2.5
137.05948	3.3
143.08501	1.9
145.06490	3.3
145.10146	2.7
147.04411	3.3
147.08017	6.2
147.11678	2.5
149.05980	3.8
149.09586	1.4
149.13217	1.6
153.01816	7.0
157.10147	1.5
159.04504	1.2
159.08067	8.7
159.11700	1.7
161.09630	1.6
163.03944	2.6
167.07036	11.9
171.06604	2.2
171.08028	17.0
172.08757	1.7
173.09612	3.6
177.05473	3.8
181.04965	17.3
181.08568	2.2
185.09628	12.5
187.07515	3.1
195.08012	2.2
197.09662	2.0
198.10347	1.7
199.07486	2.0
199.11150	2.4
209.08089	4.7
211.07578	1.7
211.11264	1.9
212.11969	5.1
213.09091	4.0
213.12735	2.3
218.05783	1.5
221.07999	1.4
222.10458	3.8
227.14291	53.0
228.14708	1.7
229.07446	1.1
233.07993	7.0
237.12825	5.9
237.18588	2.0
238.18748	3.4
240.11406	4.5
241.75394	1.3
255.13786	53.6
255.23164	1.8
256.14233	1.5
263.09143	1.4
273.14832	100.0
274.15186	4.7
276.28735	1.2
280.70425	1.3
285.07663	3.3
309.52774	1.7
310.45602	1.3
315.04681	1.3
343.22134	2.4
367.11624	1.6
387.13937	1.6
399.14328	1.5
417.15295	4.6
435.19537	1.9
435.26773	1.7
435.32224	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	435.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.3
54.05727	0.6
55.01856	1.1
55.05498	1.1
56.78905	0.7
65.03937	7.1
67.05514	3.1
68.99757	0.9
69.03415	4.2
69.07050	0.7
69.66708	1.8
69.67129	2.6
78.04693	0.9
79.05488	7.6
81.03403	4.0
81.07050	1.5
82.04188	2.8
85.02907	5.7
86.59400	0.6
91.05474	3.7
93.03390	1.5
93.07031	0.9
95.04950	5.9
97.02867	1.3
97.06490	2.1
98.21230	2.2
103.05448	1.4
105.03426	0.8
105.04543	0.7
105.07009	1.8
106.04151	1.4
107.04287	1.1
107.04951	15.7
108.02093	1.0
109.06499	1.5
110.03673	3.9
111.04456	3.6
115.05460	3.0
117.07008	4.3
119.04927	1.6
119.08588	1.1
121.02880	3.4
121.06485	2.2
123.04435	6.1
124.05196	2.6
125.05969	3.4
127.03909	6.0
128.06227	1.2
129.06985	2.6
131.04919	1.6
131.08543	2.6
133.06454	2.4
135.04440	3.2
135.11676	0.7
137.05957	1.5
138.03084	2.3
139.03868	2.7
140.04596	0.7
141.06969	1.7
142.02605	2.2
143.04872	1.1
144.05672	3.9
145.06471	7.8
145.71863	0.6
147.04424	4.9
147.08018	1.0
149.05988	2.2
151.03799	0.9
152.04683	1.9
153.01839	3.5
153.05449	1.8
153.12737	0.8
155.07063	1.1
157.06467	2.6
159.08081	3.4
160.05177	0.8
160.52953	0.6
161.05974	4.7
162.06667	0.6
163.03909	1.6
165.05437	0.9
166.02609	0.9
167.07030	48.2
168.07242	0.7
171.06534	7.3
172.05173	7.0
173.06001	5.0
175.04039	0.7
175.07556	2.0
177.05440	1.8
177.09033	1.1
179.03404	0.8
181.04944	100.0
182.05336	1.8
183.06558	0.9
184.03601	0.8
185.06047	1.0
187.07539	7.0
189.05461	2.3
190.06201	2.1
191.03442	1.0
191.06972	2.6
191.08595	0.7
191.10651	2.2
193.04878	1.0
193.08574	0.9
195.06552	2.5
200.04712	3.4
201.05458	6.9
203.06961	0.8
205.04842	0.8
205.08540	5.2
206.05685	3.4
207.06441	1.7
209.08092	3.4
213.05437	0.7
217.08612	2.4
218.05688	5.9
219.06294	0.9
219.10083	5.1
221.08069	6.6
233.08060	51.0
235.09685	2.6
237.18245	0.8
245.08063	3.6
247.07561	1.1
251.09117	3.8
263.09149	12.7
279.09952	1.0
287.05521	0.9
288.05621	0.9
289.06122	2.9
291.06473	1.1
295.09515	1.1
307.09610	2.0
323.09201	1.3
327.12503	0.9
339.12164	1.3
346.10486	0.8
352.09329	1.2
353.10239	0.9
355.11810	2.5
356.12524	1.0
357.13474	1.4
367.11722	2.5
371.14951	2.0
372.11865	1.2
381.13208	1.5
384.11868	1.4
387.14270	10.0
399.14224	8.3
399.19064	0.9
399.54614	0.8
405.15887	1.0
417.15384	30.4
435.16479	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1642
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03949	2.1
55.01868	1.6
55.05515	0.9
57.03412	1.2
58.46004	0.9
65.03938	7.8
67.05481	3.8
68.11406	0.9
69.03426	4.9
69.07061	1.4
70.86803	1.6
71.04975	1.9
78.04718	1.2
79.05474	7.3
81.03407	4.2
81.07056	3.1
82.04188	2.0
85.02900	6.6
91.05487	4.4
93.03398	1.7
93.07018	1.9
95.04978	4.4
95.08595	3.1
97.02876	1.1
97.06514	3.7
99.04505	0.9
103.05428	1.1
105.03423	0.9
105.07008	3.5
106.04179	1.5
107.04955	16.5
107.08574	3.0
108.02052	1.1
109.02881	1.3
109.06518	1.9
110.03653	4.0
111.04439	4.6
115.05441	4.0
117.07011	5.2
119.04919	1.7
119.08564	3.6
121.02861	5.0
121.06519	2.8
123.04423	8.1
124.05170	2.3
125.05968	3.8
127.03907	4.7
129.06982	2.2
131.04895	2.4
131.08514	2.9
133.06445	2.7
133.10045	1.4
134.10419	1.0
135.04402	5.6
137.05960	1.6
138.03098	1.8
139.03894	4.4
139.07568	1.1
141.06979	1.9
142.02570	2.1
143.04906	1.0
143.10661	0.9
144.05695	3.1
145.06483	9.2
147.04391	3.3
147.08037	1.1
149.05960	1.4
152.04622	1.5
153.01816	8.4
153.05490	1.5
154.02103	1.1
155.04834	1.0
155.07079	1.2
156.05585	1.0
157.06491	2.1
159.07985	4.9
161.05937	5.0
163.03929	4.5
165.05453	1.0
166.02682	0.9
167.07028	47.2
171.04500	0.9
171.06535	7.1
171.07899	1.3
172.05182	6.8
173.06036	5.9
174.06734	1.2
175.03810	1.1
175.07492	2.5
176.04404	1.0
177.09016	1.0
179.03326	1.6
181.04947	100.0
182.05345	1.4
187.07491	7.8
189.05450	2.7
190.06296	1.3
191.03412	2.2
191.06989	1.3
191.10631	2.4
193.04938	1.9
195.06505	2.4
200.04613	2.7
201.05469	6.4
203.03394	1.4
203.08350	1.9
205.08554	3.6
206.05655	2.5
207.10182	0.9
212.09497	1.1
217.08470	1.6
218.05759	5.3
219.08305	1.1
219.10194	5.2
219.17442	1.6
221.06029	1.6
221.07935	6.6
233.08066	44.5
234.08482	1.7
235.09645	2.4
237.18466	1.1
245.08061	2.6
251.09192	4.5
255.06583	1.1
255.11215	3.8
255.13750	1.4
258.09833	1.4
263.06885	1.6
263.09177	10.7
267.06271	0.9
273.07462	1.7
273.12222	8.2
273.14841	27.2
280.07257	1.1
281.08188	1.0
307.09473	2.1
313.07001	2.2
313.10458	1.3
324.09915	1.4
335.09009	1.2
355.11658	2.2
367.11673	3.5
371.14948	1.9
381.13217	2.0
387.14410	8.1
399.14487	7.1
405.15289	1.5
417.10019	1.9
417.15427	27.4
418.16092	1.3
435.17117	4.6
456.03317	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60870	1.5
51.02377	1.8
53.03933	2.4
55.01859	3.9
55.05501	2.4
57.03446	1.6
62.88586	1.4
64.54329	1.4
65.03936	7.9
67.05494	5.0
69.03410	6.4
69.07044	2.5
70.06579	1.8
71.04981	2.9
71.58944	2.1
73.24258	1.4
73.26743	1.3
74.29879	1.5
75.04475	2.5
78.04697	3.0
79.05472	6.8
81.03403	4.1
81.07054	8.4
83.04961	2.1
83.08569	1.8
85.02898	14.7
86.09695	2.0
91.05477	22.7
93.03391	12.2
93.07048	8.7
95.04980	11.1
95.08586	6.0
97.02881	4.4
97.06512	4.3
103.05451	4.4
105.07019	7.0
106.04175	28.9
107.04961	19.5
107.08579	5.1
109.02914	2.1
109.06496	5.6
109.10139	4.8
110.03657	2.2
111.04424	4.2
115.05430	3.7
117.07048	3.9
119.04947	10.9
119.08562	4.3
120.42831	1.4
121.02865	20.2
121.06505	32.3
121.10130	2.9
123.04417	17.8
123.08014	2.1
125.05994	9.8
127.03903	4.2
127.07545	2.0
129.07040	2.0
131.04901	4.4
131.08572	2.9
133.02873	2.3
133.06427	3.1
133.10103	2.8
134.03636	5.4
135.04395	5.0
135.08032	1.5
135.11652	2.1
137.02209	1.7
137.05981	7.4
138.03131	2.9
139.03860	6.8
139.07480	1.7
141.06932	1.7
145.06476	5.8
145.10112	3.2
147.03226	2.3
147.04404	39.9
148.05128	3.3
149.05986	40.6
151.03911	3.0
151.07565	2.9
152.04672	2.3
153.01822	74.1
153.05414	3.1
153.09074	11.0
154.02180	1.7
155.07088	1.8
158.84976	1.4
159.08054	2.3
159.11627	2.2
161.05960	3.5
163.03914	6.0
163.07539	4.2
163.11162	2.2
165.05453	4.8
167.07018	29.4
171.02925	3.0
171.06424	3.7
172.05220	2.6
173.05998	3.0
177.05463	25.8
177.12741	2.5
178.13084	3.3
179.07065	1.8
180.07828	2.7
181.04951	69.2
181.08539	21.7
187.07484	4.5
189.05467	2.7
191.03233	2.3
191.06981	3.4
195.02827	1.7
201.05521	2.7
201.16367	2.3
203.06940	1.6
205.08540	3.4
206.05840	1.8
208.07277	3.6
209.08084	70.1
218.05710	2.5
219.08223	1.7
219.10245	2.6
219.13826	1.8
219.17305	1.9
220.14230	3.1
221.08101	3.9
225.07608	3.2
233.08067	29.2
237.14777	4.5
238.15271	4.5
251.09119	2.5
263.09134	7.4
273.07568	100.0
274.07874	3.3
285.07440	2.4
289.05872	2.3
297.11087	2.0
313.07004	2.0
341.57098	1.5
387.14450	7.6
399.14413	4.6
417.15436	17.3
435.20169	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1282
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
53.83374	0.3
58.42204	0.2
60.01334	0.2
67.01858	1.0
68.99790	0.8
69.03410	1.1
69.66312	0.7
69.66723	1.3
75.41725	0.2
79.01847	0.2
81.03417	0.5
83.87578	0.3
85.02891	2.4
91.05482	1.9
93.07034	0.3
95.04951	0.9
97.02843	1.3
99.04435	0.3
101.30759	0.2
107.04932	1.5
109.10191	0.3
111.00776	0.3
111.04367	0.3
119.04923	7.9
121.02854	2.0
121.06467	0.3
123.04412	4.8
127.03912	0.6
131.04912	0.6
135.04388	0.6
139.03874	1.1
147.04391	32.8
148.04707	0.8
151.03914	0.8
153.01808	59.4
154.02159	1.2
161.05949	0.3
163.03922	0.5
165.01808	0.7
167.06982	0.6
171.02870	3.3
179.03426	0.9
181.04900	0.3
183.02879	0.6
189.01678	0.3
189.05455	0.8
191.03375	0.7
195.02855	1.9
207.06447	0.3
212.75340	0.3
219.02832	0.7
231.02882	0.5
243.73849	0.3
249.03738	0.4
261.04001	0.5
271.05768	0.4
272.06445	0.6
273.07535	100.0
274.07886	4.5
285.07498	0.6
315.08661	0.5
339.08640	0.9
385.01529	0.3
399.10458	0.3
435.21753	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1494
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
51.02374	0.5
53.03938	0.6
55.01867	0.5
57.03429	0.7
67.05470	0.3
69.03423	3.1
69.97240	1.0
69.97638	0.8
70.06585	0.6
74.06062	1.2
75.05585	1.6
79.01854	2.0
81.03415	4.0
83.04981	0.3
85.02903	6.1
85.06545	2.3
89.07143	0.5
91.05421	0.4
95.04974	0.4
97.02896	2.8
98.20846	0.4
99.04446	0.8
103.07568	0.8
107.01312	1.2
107.04935	0.7
109.02870	5.3
111.04444	0.4
119.04949	0.9
121.06528	0.4
121.08627	0.5
123.04430	9.6
124.07582	0.5
125.02348	3.7
127.03909	7.7
132.04517	0.4
135.04416	0.8
139.03876	0.9
143.03386	5.0
147.04408	2.6
152.05684	0.6
153.01819	100.0
154.02138	1.4
161.05948	0.6
163.03862	1.6
165.05464	0.9
167.07056	1.4
171.02867	12.5
174.49922	0.4
175.03922	0.5
177.05539	0.8
179.03305	0.5
191.28662	0.3
199.09618	0.6
205.05003	0.4
217.05035	0.4
247.06107	0.5
272.11362	0.7
273.07434	2.5
273.11761	1.1
279.04993	0.5
283.05905	0.7
285.07498	0.6
297.05978	3.0
315.07059	15.9
381.09781	0.6
417.11890	0.8
435.10733	1.7
435.18146	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1284
Annotation	Chalconaringenin 4-glucoside
Peak:m/z	Relative Intensity
53.03938	1.4
55.01864	2.5
55.73741	1.0
56.45713	1.0
57.03426	4.9
59.25282	1.2
61.02941	2.3
65.03963	1.3
67.05498	1.3
68.99793	3.3
69.03416	9.0
71.05011	1.3
71.61555	1.5
71.61934	1.0
72.08164	2.4
73.02892	1.1
73.41406	0.9
77.50014	1.0
79.05459	1.3
81.03384	5.0
85.02901	26.5
86.09693	2.6
88.32605	1.0
91.05470	4.1
92.02287	1.0
93.03384	1.1
93.07043	1.0
95.04963	4.7
97.02867	5.3
100.11295	1.4
105.03392	1.0
107.04965	4.5
109.02876	3.9
111.00826	1.6
111.04433	5.5
119.04935	9.8
120.08115	3.1
121.02857	8.3
121.06482	2.3
123.04413	20.4
123.05312	1.2
124.15604	0.9
125.02333	2.5
127.03920	4.3
130.94913	1.0
131.04953	1.1
133.06493	1.2
135.04390	11.4
139.03874	8.7
141.01765	1.6
145.04965	2.5
145.41547	1.0
147.04390	35.7
148.04678	1.3
149.02327	1.1
151.03915	4.4
153.01817	55.1
161.05983	1.5
163.03903	11.3
165.01826	17.0
165.05383	1.2
167.07063	3.4
169.04964	1.2
171.02899	5.4
171.06508	1.3
171.56781	0.9
175.03918	4.1
175.68312	0.9
177.01820	5.5
177.05527	1.6
179.03419	2.1
181.04887	5.7
182.15411	1.2
183.02898	15.1
185.16415	1.5
187.03918	2.2
189.01822	2.3
189.05472	1.5
191.03374	11.9
193.01401	1.2
193.04958	2.8
193.34946	1.2
195.02873	50.6
196.03200	1.6
203.03442	2.0
205.05013	1.8
219.02879	20.4
219.10147	1.3
223.08878	1.1
231.02859	11.3
231.06520	1.5
233.04462	1.4
233.08083	3.6
243.02873	2.4
249.03853	8.3
255.06686	1.4
261.03964	12.7
271.05951	1.4
272.57361	1.3
273.07562	100.0
274.07889	5.2
279.04898	5.0
283.06042	2.0
285.07568	19.8
289.06964	1.6
295.05875	1.5
296.52188	1.1
297.07843	7.3
313.07071	2.1
315.08575	10.4
339.08594	19.7
351.08594	9.9
361.69968	1.2
363.08545	4.1
369.09610	4.7
381.09576	7.8
385.12805	1.2
399.10623	9.2
417.11160	1.9
417.15991	2.4
435.10794	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	435.1283
Annotation	Chalconaringenin 4-glucoside
Peak:m/z	Relative Intensity
52.78341	1.1
54.63777	1.0
55.01863	1.9
57.03423	4.5
61.02915	2.5
65.03929	1.4
68.99802	1.5
69.03407	4.8
69.55604	1.7
69.56010	7.4
69.71219	1.0
73.02895	1.3
79.05465	1.4
81.03400	4.4
83.39950	1.0
83.95261	1.0
85.02901	22.0
91.05477	3.2
93.07011	1.3
95.04951	1.2
97.02881	7.7
105.06998	3.1
107.04942	5.2
109.02890	2.7
111.63503	1.2
119.04936	10.0
121.02863	16.1
121.06512	2.6
123.04424	9.3
126.47561	1.0
127.03921	5.1
133.10149	1.5
133.85512	1.0
134.31172	1.0
135.04381	2.8
139.03896	2.6
145.04919	3.0
147.04408	36.0
151.03812	1.2
153.01817	69.8
161.05890	1.6
163.03908	5.7
165.01833	9.7
167.07080	2.8
171.02864	5.1
177.01810	6.2
181.04968	3.1
183.02870	11.5
189.01779	2.6
189.05359	1.1
191.03407	7.8
195.02888	30.6
199.08585	1.1
203.03395	1.8
207.02905	1.5
219.02884	11.4
231.02898	8.1
233.07999	2.2
243.02806	2.0
245.09038	1.2
249.03931	5.3
261.03967	7.6
273.07547	100.0
274.07913	4.1
274.10730	1.2
279.04929	3.3
285.07501	14.0
297.07886	5.6
309.07480	1.2
315.08606	6.7
339.08548	11.7
351.08600	4.4
363.08569	1.4
369.09555	3.7
381.09509	2.9
385.12784	1.7
399.10950	5.3
417.11261	1.7
435.11020	1.4
436.15472	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1282
Annotation	6-hydroxy-2-[(4-glucosyl-hydroxyphenyl)methyl]-1-benzofuran-3-one
Peak:m/z	Relative Intensity
51.02375	0.4
53.03935	1.0
55.01855	0.8
56.05046	0.3
57.03430	1.1
61.02914	1.3
67.05489	0.4
68.99786	0.8
69.03429	5.0
70.06580	0.7
71.04992	0.8
71.37191	0.6
73.02913	0.8
77.03921	0.7
81.03411	2.9
85.02896	12.1
87.04452	0.9
91.03947	0.9
91.05464	1.2
95.04964	1.6
95.28052	0.3
97.02882	5.0
99.04434	0.8
103.03912	0.5
105.03377	1.3
107.04922	1.4
109.02885	1.5
111.00797	1.4
111.04467	0.4
115.05391	0.3
119.04916	1.6
121.02878	0.7
123.04417	100.0
124.04744	1.8
127.03909	3.4
135.04408	2.2
137.05943	0.4
139.03873	1.7
143.04926	0.4
145.04921	1.1
145.06554	0.4
147.04390	6.0
149.05946	0.4
151.03889	4.0
153.01794	1.8
154.02179	0.4
161.05943	1.3
163.03897	4.5
163.07542	1.2
165.05458	0.9
175.03912	0.7
177.05449	0.6
178.05821	0.7
181.04910	0.8
181.06438	0.4
185.05855	0.4
185.81496	0.3
187.03946	0.5
189.05447	2.0
193.05005	0.6
199.07530	0.5
204.05659	0.3
205.05006	0.9
217.05040	0.3
227.06978	0.6
229.05080	0.5
238.10422	0.3
245.08115	0.4
255.06473	1.1
265.03601	0.4
265.06680	0.3
271.06006	0.7
273.07547	48.4
274.07901	1.3
279.61752	0.3
285.07513	0.8
297.07477	0.4
303.08618	0.4
309.69644	0.3
315.08588	0.7
339.08496	0.6
361.13162	0.3
403.15646	0.5
417.16638	0.5
435.12927	4.7
435.18161	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31609	0.3
57.03183	0.5
57.03432	6.1
61.02914	1.5
68.99787	0.8
69.03417	0.7
69.40558	1.4
69.40979	1.8
73.02914	14.3
85.02898	0.6
85.60791	0.3
89.03856	0.3
95.04954	0.7
95.08582	0.5
97.02892	0.4
103.69257	0.4
107.04960	2.6
107.08580	0.3
109.02831	0.3
111.00804	0.7
111.04432	0.6
115.03915	1.0
119.04916	0.4
120.84309	0.3
121.02865	1.5
123.04416	1.4
127.03886	0.4
131.04842	0.4
135.04398	0.4
137.02332	3.2
139.03882	1.0
139.42580	0.3
144.52814	0.3
147.04341	0.6
149.02252	0.6
153.01793	4.2
161.07143	0.7
163.03900	1.5
165.01820	2.6
166.02721	0.4
167.07083	0.4
173.05911	1.1
179.03310	0.7
181.04907	0.4
187.03917	0.4
191.03374	0.5
195.02820	0.4
199.32159	0.4
201.05519	2.0
203.03221	0.4
219.06573	0.5
229.04965	4.4
247.05972	0.7
255.19696	0.5
257.04468	2.7
273.07550	0.7
274.04736	0.7
285.03909	1.1
303.04977	100.0
304.05322	2.4
313.07150	0.5
319.04660	0.4
323.32828	0.4
341.06387	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0921
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
52.27949	0.3
55.05491	0.3
57.03434	6.8
57.72952	0.3
61.02922	1.8
65.03932	0.4
68.99785	0.8
69.03424	0.8
70.85316	0.7
71.04963	0.4
73.02913	14.0
77.00222	0.3
79.05501	0.3
81.03375	0.3
85.02884	0.9
93.03383	0.4
95.04944	0.6
95.08598	0.3
107.04942	2.2
111.00763	0.6
115.03905	1.1
119.04901	0.3
121.02834	1.7
123.04431	1.9
127.03908	0.5
133.04893	0.4
133.10114	0.5
135.04402	1.0
135.11656	0.4
137.02312	3.2
139.03886	0.8
147.04393	0.6
149.02301	0.7
153.01813	4.2
153.08864	0.3
161.05908	0.5
161.07089	0.6
163.03908	1.3
165.01843	2.7
173.05989	0.5
179.03389	0.9
181.04889	0.6
183.02797	0.8
183.04355	0.3
184.30185	0.3
187.03993	0.4
201.05405	1.6
203.03384	0.4
229.04948	5.2
247.06026	0.9
257.04419	2.2
273.07492	1.0
274.04749	0.7
285.04031	1.4
293.33008	0.3
303.04968	100.0
304.05325	2.8
313.07083	0.4
341.06415	0.4
431.43066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07240	4.0
52.97573	3.8
53.03938	4.5
55.01888	3.5
55.05507	16.9
64.90244	3.5
65.03965	4.8
67.05500	11.6
69.03428	8.4
69.07064	15.1
69.24345	3.9
71.04978	39.4
71.59820	6.8
79.05489	21.5
81.03398	6.1
81.07053	46.9
83.04962	6.5
83.08630	6.7
85.02907	22.8
85.06541	6.7
85.48547	3.5
85.59772	3.9
89.86398	3.7
91.05465	21.1
93.07029	42.9
95.04945	9.1
95.08603	40.5
97.02886	6.4
97.06537	4.9
97.10166	4.5
99.04420	5.4
99.08115	11.5
103.05459	5.7
105.07021	47.9
107.04945	10.7
107.08601	29.4
109.02836	4.5
109.06524	12.8
109.10136	22.0
111.04436	9.3
111.08092	5.1
111.89381	3.9
117.06990	5.8
119.04904	8.3
119.08584	26.9
121.02849	31.2
121.06489	9.8
121.10129	23.8
123.04401	25.9
123.07966	4.5
123.11713	10.3
124.04776	5.9
125.09654	27.1
127.03914	7.1
127.07560	12.7
127.11195	5.3
131.08588	11.2
133.06612	5.5
133.10130	87.9
135.04417	9.8
135.11703	13.0
137.06001	6.7
139.03949	21.8
139.11169	6.0
143.10651	65.7
145.10103	16.7
147.04410	7.8
147.11697	20.1
149.05997	8.1
149.09566	4.8
149.13213	25.7
151.11140	8.4
153.01801	22.9
159.11682	16.7
161.06097	3.8
161.13245	11.9
163.03894	11.8
163.07501	6.4
163.11201	4.2
167.07010	12.4
167.14302	36.4
169.12201	6.3
173.13243	7.7
175.14880	6.3
177.05527	6.2
177.12796	4.7
181.04935	21.1
187.03680	4.4
191.03421	5.2
201.16429	23.7
203.03482	6.4
209.08049	8.0
211.16943	4.8
219.14021	6.3
219.17435	100.0
233.08009	5.1
237.14819	22.7
237.18448	28.2
255.06709	4.3
255.15921	5.6
255.19354	5.2
257.08133	6.5
271.05933	4.1
285.07562	15.4
287.05579	7.3
288.05838	13.7
313.07129	5.0
321.48431	3.7
381.19733	5.0
417.15500	8.1
434.11368	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	434.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.01860	3.2
55.05492	11.1
57.03403	3.6
57.07052	3.2
59.05007	3.4
67.05511	13.8
69.03417	10.9
69.07053	11.7
71.04998	30.0
71.11644	3.0
71.11982	6.0
79.05492	24.2
81.03388	3.1
81.07056	45.8
83.04973	5.5
83.08599	4.4
85.02910	18.4
85.06499	5.0
91.05480	29.1
93.07043	28.9
95.04946	9.0
95.08572	22.5
97.02881	8.3
97.06499	7.3
97.10142	7.1
99.08086	14.1
100.86243	3.0
105.07028	61.8
107.04942	12.5
107.08603	35.0
107.47908	2.8
109.06517	6.9
109.10143	23.2
114.05672	3.1
117.07024	6.7
119.04964	4.4
119.08582	25.5
120.04471	3.0
121.02837	11.6
121.06438	3.5
121.10146	24.9
123.04420	20.3
123.08083	4.8
125.02321	3.3
125.09637	40.2
127.03867	6.6
127.07545	10.2
127.11198	15.3
131.04924	3.1
131.08557	16.9
133.06523	3.4
133.09102	4.9
133.10117	100.0
135.04430	3.5
135.11676	9.1
137.02438	3.6
137.05959	4.5
139.03926	6.1
142.07698	3.6
143.10666	52.5
145.10101	27.2
147.04430	8.9
147.11681	24.2
149.06039	4.0
149.13231	7.9
151.11137	8.2
153.01808	17.9
159.11703	20.3
161.13237	7.8
163.03900	8.4
163.11157	4.8
165.12743	4.0
167.06990	11.2
167.14265	10.0
169.12189	4.6
173.13290	5.4
175.68326	3.1
177.05420	4.0
179.03331	4.7
181.05002	14.6
198.08319	2.6
201.16399	24.6
203.03514	4.2
219.14081	4.8
219.17432	93.4
220.17619	3.5
233.08044	6.0
237.14803	3.9
237.18547	28.9
244.94832	3.0
249.99338	3.1
272.13187	3.6
285.07605	7.2
288.05844	5.7
313.07068	8.5
345.17416	4.7
351.43420	3.1
401.43015	2.9
417.14954	3.4
434.18716	11.1
435.19717	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.5
55.01863	3.8
55.05502	10.5
56.96558	3.4
57.03422	4.1
57.41581	2.1
59.04967	2.7
61.02926	3.3
65.03934	5.5
67.05510	9.5
68.23823	1.8
69.03426	13.4
69.03742	2.4
69.07063	6.1
69.39888	1.7
70.06573	4.7
70.37698	1.6
71.04992	33.6
71.60352	3.3
78.46397	2.0
79.01836	4.9
79.05487	15.5
81.03395	7.4
81.07053	37.3
83.04984	3.9
83.08607	6.1
85.02891	26.6
85.06534	4.7
91.05456	19.2
93.03416	2.9
93.07037	25.2
95.04959	6.8
95.08600	18.0
97.02864	5.0
97.06511	8.6
97.10169	4.7
99.04457	2.2
99.08063	11.9
103.05452	4.6
105.07017	39.5
106.04160	3.9
107.04947	9.4
107.08587	22.7
109.02932	4.0
109.06506	5.8
109.10140	17.0
111.04443	7.8
115.05466	2.7
117.07018	5.4
119.04950	8.0
119.08557	15.1
120.08109	2.2
121.02861	44.0
121.03893	2.4
121.06488	5.5
121.10130	16.1
122.03659	3.8
123.04422	16.8
123.08067	4.6
123.11690	8.6
125.02332	4.5
125.09623	27.0
127.03892	7.3
127.07523	7.2
127.11172	9.8
131.04903	5.2
131.08588	9.6
133.02850	2.5
133.06474	2.8
133.10123	75.6
134.10457	2.1
135.04410	8.1
135.08061	4.4
135.11679	7.2
137.02313	4.6
137.05980	27.7
139.03876	9.6
139.07510	2.1
139.11089	2.7
143.03377	8.5
143.10654	57.4
145.05070	3.3
145.06352	2.8
145.10103	17.0
147.04393	10.0
147.11674	17.0
149.05949	5.0
149.13257	13.1
151.11169	8.4
153.01816	67.1
154.02173	4.7
155.10655	2.9
159.11713	10.7
161.05986	3.5
161.09644	2.6
161.13242	6.1
162.05502	2.6
163.03899	8.2
163.07512	2.1
167.07047	10.8
167.14305	40.9
169.12225	6.1
173.06056	2.3
173.13225	4.2
175.03827	4.3
177.05484	6.5
177.12711	3.9
179.03421	2.2
179.14362	3.6
181.04950	17.4
181.08553	5.3
187.07565	2.2
191.03391	5.1
191.07027	2.2
193.08607	2.4
197.01263	5.4
201.00713	2.1
201.16362	15.3
203.03441	4.4
209.08130	8.5
209.15286	2.2
219.13843	7.2
219.17421	100.0
220.17734	2.9
226.98633	8.4
233.08070	5.7
237.14799	6.3
237.18463	23.7
241.00266	2.2
244.99706	5.1
245.12723	2.6
255.16039	4.4
259.01196	2.3
263.09097	2.5
264.08301	3.0
267.06155	2.1
271.06039	5.6
272.06326	9.8
273.07446	5.7
273.11832	1.9
285.07617	2.5
287.05444	9.0
288.05890	17.4
303.04999	2.9
311.05386	2.1
311.08978	1.9
313.06937	8.9
341.06424	3.5
386.10205	5.3
401.12567	8.8
404.11362	2.9
417.15625	5.5
434.10339	5.5
434.20831	6.1
446.66119	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
53.45508	0.7
55.01864	8.2
57.03432	15.3
59.05000	1.2
61.02926	13.5
63.18115	0.8
69.03426	29.9
70.06590	7.9
70.23033	3.9
70.23374	1.1
71.01340	3.8
71.04976	2.0
71.06926	1.9
71.32168	0.9
73.02914	74.9
79.05483	1.2
80.40199	0.9
81.03423	6.2
85.02901	100.0
86.03247	1.0
86.09708	2.2
87.04461	5.6
91.03979	4.7
91.04462	0.9
93.92676	0.8
95.04951	1.3
97.02885	55.5
99.04456	5.0
103.03915	2.5
105.07025	27.1
106.42317	1.1
107.04992	1.1
109.02889	7.7
112.86789	0.9
115.03925	27.7
116.07092	16.9
117.07455	4.8
119.08604	1.9
123.04408	9.0
127.03909	32.3
129.07018	1.3
132.06575	1.0
133.04962	32.7
135.04424	1.4
139.03920	2.5
144.06592	1.6
145.04951	50.6
147.04381	1.1
147.08049	2.8
150.07631	5.0
153.01744	1.7
155.03342	0.8
155.08476	1.1
159.08038	1.8
162.07600	2.0
163.03918	1.0
163.06017	24.6
180.08588	0.9
181.04961	2.6
189.09061	1.3
193.05005	1.6
199.06023	1.1
201.09155	5.7
217.07077	2.5
219.10110	5.2
223.06038	6.4
237.11069	1.4
241.07135	6.8
249.11259	0.9
255.12384	2.0
259.08148	12.0
273.07709	2.2
277.09222	3.0
285.13367	5.8
295.10178	7.2
302.16196	1.5
434.14822	0.9
434.20129	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	434.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.0
55.01856	7.9
57.03424	16.3
61.02913	13.4
65.03928	7.9
69.03419	32.7
70.06236	4.6
70.06590	40.6
70.40042	12.2
71.01376	4.2
71.04974	13.1
71.06918	9.1
73.02912	75.7
79.01871	4.6
79.05470	11.4
81.03410	11.3
82.22996	3.4
85.02901	100.0
86.03253	4.4
86.06046	4.3
86.09697	7.0
87.04449	6.4
90.84693	3.5
91.05482	8.4
95.04948	7.6
95.42168	3.4
97.02882	63.4
97.06535	3.8
98.21037	8.5
99.04444	7.1
103.03924	4.2
103.05473	3.0
105.07023	84.8
106.07327	6.6
107.04943	26.4
107.08621	5.4
108.05283	5.1
109.02875	12.6
109.06493	4.5
110.06028	3.6
114.77776	3.1
115.03902	29.8
116.07082	46.7
117.07441	19.7
117.10773	3.3
119.04961	4.3
119.08559	6.5
121.02844	8.7
123.04414	31.5
125.02353	4.5
126.05531	4.4
127.03916	39.5
128.10738	5.5
129.05502	7.1
132.65193	3.4
133.04961	35.4
133.06487	5.4
133.10115	4.6
134.06845	3.7
135.04379	4.2
139.03867	11.7
145.04938	47.7
147.04404	7.4
147.06526	3.5
147.08029	8.2
149.09601	5.3
150.07607	8.1
151.03902	4.1
151.07567	5.2
151.11145	3.8
153.01819	34.9
154.02246	4.5
161.04797	4.1
161.05936	20.9
161.09624	7.0
163.03934	5.8
163.06036	23.7
163.07321	5.5
167.07042	19.2
168.07391	8.3
171.04657	3.7
171.06479	6.7
177.01796	4.2
181.04927	70.9
182.05267	40.8
189.09042	11.3
191.14339	4.4
193.08643	9.0
194.09004	10.0
195.02905	14.2
201.09056	9.5
207.10138	8.9
209.15366	15.4
219.10133	10.4
221.08087	12.8
222.08427	16.3
223.06038	3.3
237.11232	5.8
241.07077	6.3
249.07657	6.0
250.07941	9.4
255.12318	6.0
259.08109	14.1
260.11249	3.9
261.11624	4.3
273.07471	9.7
278.12180	8.6
279.12674	16.7
287.05588	5.3
288.05856	5.7
404.14169	87.4
405.14026	3.8
428.49850	3.7
434.20041	5.4
435.22009	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	434.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.01859	0.7
58.99572	0.5
61.02915	0.6
67.05507	2.2
69.03423	2.4
71.04967	0.4
71.26038	0.3
71.26371	0.7
74.06084	0.7
76.02215	0.9
79.01837	0.3
79.05454	0.3
80.79923	0.3
81.03431	1.4
81.07053	0.4
83.05000	0.3
85.02898	4.9
86.99056	0.4
87.04463	0.4
93.07062	0.8
95.04942	0.5
95.08603	3.9
97.02898	2.4
100.02212	1.9
105.00056	0.5
105.07014	0.6
107.04930	0.5
108.05715	0.5
109.02864	1.3
121.02856	1.0
121.06499	0.3
122.01841	0.5
122.02726	8.2
122.06000	0.3
123.04417	1.4
123.08064	7.2
125.02349	0.7
127.03918	2.2
143.03384	1.0
145.04968	1.0
146.02686	1.3
147.04356	0.3
151.07538	100.0
152.07874	1.9
153.01825	17.0
164.03778	0.4
171.02859	2.2
175.03781	0.3
177.05396	0.4
188.03773	0.4
209.09473	0.4
247.06009	0.3
254.10326	0.4
272.09451	8.4
273.09430	0.4
283.08273	0.3
284.07990	6.1
297.05951	1.4
315.07080	2.7
369.09979	0.4
434.16321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87177	0.9
53.03943	1.0
55.01871	3.4
55.05510	1.2
56.93149	1.0
58.06580	2.4
60.04532	2.0
67.00272	1.1
67.05499	2.1
68.99810	2.4
69.03422	1.8
70.06589	5.3
71.59645	1.7
74.06065	2.8
81.03403	1.9
81.07041	2.2
82.06590	1.8
84.04491	1.7
85.02894	2.6
86.06063	31.3
86.06593	1.6
86.09657	1.2
89.06049	1.2
91.05471	2.3
94.06556	5.2
95.04974	1.9
97.02879	1.3
100.07613	11.6
102.05520	1.3
105.03399	1.8
105.07010	1.5
107.04973	2.1
109.02863	1.5
110.06168	1.1
112.07608	11.9
119.04932	2.8
121.06493	3.9
123.04421	43.6
127.02117	1.0
127.03926	2.1
131.04955	1.0
133.06482	1.9
135.04434	3.3
139.03886	11.9
141.05467	4.0
143.03372	1.6
145.06430	1.6
146.08133	3.0
147.04391	14.8
149.02391	2.3
149.05952	8.3
151.03920	6.6
153.01823	15.0
159.04445	1.2
161.06012	2.8
163.03978	3.8
163.07542	3.3
165.05476	14.3
167.07065	1.7
171.02899	2.2
173.06003	4.4
175.03934	3.4
176.04669	1.3
177.05460	100.0
178.05846	1.4
179.07022	1.9
189.05438	2.1
191.07019	9.4
193.05040	1.5
201.05461	7.0
203.07036	1.4
207.06604	1.3
208.09740	1.2
219.06511	31.9
219.08560	2.2
220.09779	1.1
231.06540	3.0
232.09692	10.8
233.08072	1.3
237.11130	1.1
243.06540	1.2
250.10751	42.2
254.13799	1.4
264.12296	2.8
272.14792	1.2
273.07553	4.1
282.13284	1.4
285.07605	2.2
297.05939	1.5
303.08542	2.0
311.09122	1.9
315.07080	2.1
327.08447	1.5
329.10181	22.6
353.10248	3.1
371.11252	4.3
384.14352	17.5
402.15451	47.8
403.15936	1.5
416.17020	35.1
434.18149	27.7
435.18399	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.4
53.03931	0.3
56.05019	1.2
56.14503	0.3
57.03422	0.5
65.03944	0.3
67.05489	0.6
68.99771	1.3
71.08286	0.3
74.06075	17.0
77.03922	0.6
85.02895	0.9
91.05454	0.6
95.04964	1.1
98.06043	1.0
102.05533	3.1
103.36725	0.4
105.03374	1.4
105.07020	1.6
107.04961	0.6
110.34000	0.3
111.00838	1.8
111.04411	0.4
111.64434	0.3
116.07091	6.7
119.04919	0.9
120.06573	13.0
121.02913	0.4
121.06487	0.4
123.04420	100.0
124.04761	1.0
127.03930	1.0
132.37683	0.3
135.04401	4.2
139.03897	14.9
144.06564	5.7
145.06477	0.5
147.04404	9.4
151.03864	2.8
153.01822	1.4
153.05426	1.1
161.05960	0.7
162.07613	16.6
163.03885	2.7
163.07491	1.5
165.05496	1.0
167.07095	0.5
185.05988	0.4
187.07564	0.5
189.05453	2.4
199.07477	0.5
227.07060	0.9
245.04515	0.9
245.11906	0.3
254.10231	0.6
255.06531	0.9
255.12350	0.5
273.07556	38.3
274.07968	1.1
296.11304	3.1
379.04947	0.3
404.90076	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38440	0.3
53.45115	0.3
54.75500	0.3
56.64117	0.3
57.03419	0.3
66.98388	0.3
67.05500	1.7
68.81300	0.3
69.03409	1.0
71.60700	0.5
81.03413	0.5
83.04984	0.4
85.02900	2.0
95.04947	0.5
95.08608	3.7
96.08125	0.8
97.02908	0.5
99.04370	0.3
105.07011	0.8
108.05708	0.6
109.02858	0.5
122.02739	2.8
123.04430	1.0
123.08061	6.8
127.03937	0.6
137.11810	0.3
139.03922	0.4
147.04376	0.6
151.07532	100.0
152.07860	1.9
153.01802	1.9
221.85211	0.3
237.02710	0.5
256.54855	0.3
272.09195	6.0
284.07892	1.7
313.12784	22.9
314.13141	0.8
381.80194	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3312
Annotation	1alpha,2beta,25-trihydroxycholecalciferol
Peak:m/z	Relative Intensity
55.05505	29.4
56.42127	3.1
57.07061	10.7
62.18363	2.9
67.05502	18.5
69.07065	40.6
69.31782	30.0
69.32193	6.1
71.08627	5.6
79.05490	8.9
81.07053	49.7
83.04963	14.7
83.08620	18.2
83.09037	3.1
85.06535	6.2
87.50455	3.0
91.05464	5.2
93.07029	17.6
95.04971	3.5
95.08602	42.6
97.06537	7.2
97.10184	11.9
98.20719	5.8
99.04483	6.5
105.07050	14.0
107.08576	18.2
109.06527	7.1
109.10153	18.6
111.04465	8.6
111.11723	7.0
113.05989	4.4
117.06997	3.5
119.08577	14.7
121.06488	3.4
121.10151	15.7
123.08086	6.2
123.11736	12.4
125.06007	20.8
127.03896	16.8
129.06987	2.9
131.08542	7.1
133.10155	10.6
135.08063	5.1
135.11652	14.3
137.05983	12.2
137.13269	7.1
139.03903	41.2
141.05423	13.8
145.10129	12.4
147.08008	3.9
147.11739	8.6
149.09648	9.5
149.13252	8.1
151.07591	11.0
151.14867	2.9
153.05458	19.2
157.10165	6.1
159.08055	3.3
159.11728	7.0
161.09637	5.2
161.13277	4.0
163.07487	3.7
163.11229	3.7
165.09131	7.5
167.07013	6.2
169.04970	17.6
173.09677	5.1
173.13272	4.7
175.07616	3.7
175.11227	4.9
177.09212	4.4
187.11107	3.6
187.14821	3.4
189.12859	4.6
191.10638	6.9
193.08614	4.0
197.13249	3.9
201.09106	4.7
248.51343	3.3
271.06085	9.3
271.99692	3.0
277.18219	4.0
286.52798	3.1
310.32721	3.2
313.07385	3.8
359.25803	3.7
359.33749	3.0
359.38116	2.9
397.31274	3.7
415.32098	95.0
415.37360	6.0
433.26120	6.2
433.33224	100.0
434.33682	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.9
52.97169	0.8
53.03934	3.7
55.01864	7.4
55.05508	28.9
55.51486	0.7
57.03436	6.7
57.07056	1.2
59.04976	1.0
65.03932	2.3
65.66203	0.8
67.05498	33.7
69.03419	5.0
69.07063	10.1
71.04981	4.2
71.61028	0.8
79.05484	40.5
81.03410	7.9
81.06575	1.9
81.07049	33.2
83.04957	3.8
83.08615	13.5
85.02861	2.1
85.06528	3.6
87.04441	0.8
91.05474	33.6
93.06464	1.8
93.07033	27.2
95.04960	31.3
95.08601	16.4
97.06519	4.0
97.10165	19.4
97.78468	1.0
99.04462	0.9
99.08065	1.4
103.05470	2.9
105.03382	1.8
105.07021	27.4
107.04943	13.7
107.08585	23.7
109.02872	1.7
109.06517	6.2
109.10156	10.6
111.04460	1.6
111.08035	2.6
114.60281	0.8
115.05434	3.3
116.06222	1.4
117.07008	14.2
119.04906	3.4
119.08576	13.2
121.06494	15.1
121.10136	15.0
123.04406	2.1
123.08048	6.5
123.11700	1.9
125.06007	1.3
125.09615	16.2
127.03968	0.9
128.06221	3.1
129.05446	2.9
129.06985	19.0
131.04915	11.8
131.08553	22.7
133.06477	7.7
133.10118	9.5
135.04391	1.8
135.08041	9.0
135.11650	3.0
137.05989	3.4
137.09576	1.4
141.06976	7.9
142.07762	2.1
143.08563	12.1
143.10614	1.1
145.06471	18.8
145.10101	12.8
147.04413	1.6
147.08026	9.2
147.11665	3.8
149.09599	20.3
149.13248	1.4
151.07526	1.0
151.11139	0.8
153.01819	1.6
153.05525	2.0
153.06900	1.7
153.09105	1.5
154.07764	3.2
155.08540	8.7
157.06436	4.1
157.10129	6.1
159.08041	8.0
159.11659	8.6
161.05954	2.6
161.09637	4.8
161.13245	3.9
163.11194	5.5
165.05562	0.9
165.06886	1.9
165.09091	1.4
167.07094	1.7
167.08565	4.5
169.06487	2.2
169.10115	9.7
171.07979	4.0
171.11671	16.5
173.06015	1.2
173.09648	6.9
173.13219	2.3
175.11134	3.1
177.12724	1.2
179.08522	2.3
181.04932	1.8
181.08592	0.8
181.10135	4.4
183.08018	2.3
183.11639	5.1
184.08856	1.0
185.09697	4.7
185.11771	0.8
185.13248	4.8
187.11160	9.8
187.14717	1.0
189.09135	3.0
189.11188	9.5
189.12753	12.7
189.96590	1.0
191.10768	1.2
193.10175	1.3
193.12141	1.7
195.10127	1.0
195.11678	4.8
197.09544	4.1
197.13243	4.2
199.11124	3.8
199.14812	1.7
201.12764	2.3
203.10670	2.0
203.14444	1.6
205.12202	5.6
207.11838	1.2
209.13232	1.4
211.11130	6.5
211.14774	1.3
213.12741	4.2
215.10637	3.2
215.14236	1.6
217.12312	1.2
221.13297	1.4
223.13220	5.6
225.12701	3.9
227.10829	1.2
227.12750	3.5
227.14581	1.3
229.12169	4.7
231.13878	2.0
239.14417	1.7
243.13777	4.8
247.13310	2.2
249.14763	1.4
255.13702	1.2
257.15350	4.3
261.14749	2.0
267.15900	2.5
273.14825	3.2
275.16550	2.1
279.15939	1.4
295.20569	3.1
297.16949	1.3
305.19028	1.7
313.21533	5.6
321.16727	1.7
323.20081	19.3
324.20245	1.1
331.22620	1.5
335.18604	1.4
341.21082	88.6
342.21356	3.1
353.20956	0.9
359.22168	8.6
365.19489	1.0
377.23260	1.6
379.22675	1.5
397.23740	3.8
415.24667	45.1
416.25168	1.6
433.25787	100.0
434.26163	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	433.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.0
55.05492	11.3
57.03411	5.2
57.07055	5.2
67.05495	47.4
69.07041	9.1
70.50488	10.7
76.95714	2.8
76.97086	3.0
79.05486	29.2
81.07048	57.0
83.08598	4.8
86.50182	2.7
91.05462	17.2
93.07032	46.0
95.04942	4.9
95.08598	38.0
97.10187	4.2
98.98454	100.0
105.07017	17.3
107.08589	31.3
109.06499	3.4
109.10133	17.1
116.99493	7.0
117.07018	8.3
119.08567	15.4
121.10131	30.1
123.11686	11.8
131.08586	15.0
133.10126	16.5
135.11667	19.7
137.13251	3.4
140.01099	3.7
145.10123	13.8
147.11679	10.6
149.13268	15.1
155.01039	22.5
156.90424	3.1
159.11656	10.0
161.13243	4.3
163.14795	11.6
164.73605	3.4
173.02080	17.3
173.13219	8.1
177.16341	3.8
181.13316	3.0
187.14813	8.1
233.22548	3.5
243.21077	22.6
261.22107	72.2
271.06006	5.0
317.24704	7.9
335.25800	55.0
336.70081	3.3
415.22366	9.9
433.11313	4.3
433.30853	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2349
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
52.62080	0.8
53.03939	1.3
53.45729	0.8
55.01884	1.1
55.05508	8.9
57.03438	9.6
57.07075	2.9
65.03932	2.0
67.05502	45.0
69.07066	10.7
70.78336	1.9
70.78706	2.0
71.04967	1.6
75.04465	1.1
79.05490	28.7
81.07057	47.7
82.07375	0.9
83.04966	1.0
83.08623	3.7
85.06532	1.5
91.05479	13.2
93.07042	32.6
95.04990	2.2
95.08604	40.6
96.08952	1.4
97.06514	2.2
97.10181	2.8
98.22141	0.9
98.98463	63.5
105.07021	11.5
105.07678	1.1
105.22107	0.9
106.10594	0.8
106.33658	1.1
107.08594	23.3
109.10154	18.6
111.08093	1.5
116.99519	1.8
117.06995	4.5
119.08584	10.9
121.10142	19.7
123.11707	8.9
131.08571	10.1
133.10132	9.4
135.11681	13.6
137.13264	3.2
145.10139	7.3
147.11674	7.1
149.13255	11.7
155.00990	8.2
159.11717	8.1
161.13240	5.0
163.14818	7.5
165.12743	1.8
173.02098	12.0
173.13239	8.5
175.14830	3.1
177.16370	2.0
187.14827	3.7
191.14227	1.6
201.16495	1.7
205.15884	1.1
215.18045	1.2
233.22626	2.4
239.85466	1.1
243.21060	14.1
255.56154	0.9
261.22125	44.8
262.22574	2.2
271.61899	1.0
279.23392	1.5
291.23178	1.4
317.24719	6.8
335.25793	100.0
335.50415	0.8
336.26147	4.8
343.19778	1.0
415.22589	2.8
433.23581	1.4
433.30905	1.1
436.82495	1.1
459.19232	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1127
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
54.34699	0.2
63.57869	0.2
69.51605	0.9
69.52035	1.3
71.04971	0.6
74.60131	0.3
79.96289	0.3
104.53348	0.3
121.02881	0.3
133.06422	0.3
134.35608	0.2
135.50912	0.3
137.02333	2.0
147.04410	0.4
148.04784	0.3
149.02266	0.5
151.03889	0.4
167.18503	0.3
175.03790	0.3
185.05943	0.4
186.86697	0.3
189.05392	0.5
213.05453	1.6
219.10011	0.4
220.10513	0.3
231.06477	0.7
241.04854	0.8
242.05713	0.3
269.04312	0.5
271.05966	1.4
287.05481	100.0
288.05814	3.0
341.67276	0.3
409.78152	0.3
433.11069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1126
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
51.16509	0.1
55.00074	0.1
59.08905	0.1
67.01854	0.3
68.99804	0.2
69.73734	0.7
88.39698	0.1
91.05451	0.3
98.21431	0.1
103.96206	0.1
119.04943	1.5
121.02845	0.5
123.04460	0.1
139.03816	0.1
145.02820	0.4
153.01810	3.6
163.03897	0.3
171.02934	0.5
187.03790	0.1
189.03571	0.1
225.05379	0.2
229.04900	0.2
243.06447	0.2
247.05956	0.1
271.05981	100.0
272.06329	2.3
313.96542	0.1
433.11133	1.1
433.20099	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.1
55.01862	0.1
57.03410	0.1
59.04977	0.1
61.02905	0.2
65.03925	0.1
67.01860	0.4
68.99763	0.3
69.03425	0.5
70.06567	0.1
71.04981	0.1
71.61678	0.1
72.08135	0.1
72.45830	0.1
73.02900	0.1
79.05517	0.1
81.03395	0.2
81.07054	0.1
82.52821	0.1
83.52624	0.1
85.02417	0.1
85.02898	1.5
86.09731	0.1
87.04443	0.1
91.03964	0.1
91.05460	0.7
93.07027	0.1
95.04982	0.1
95.08538	0.1
97.02882	0.5
99.04439	0.1
99.92710	0.1
107.04960	0.1
107.08575	0.1
109.02856	0.2
111.00735	0.1
119.04931	1.4
120.08141	0.1
121.02866	0.4
121.74480	0.1
123.04420	0.2
127.03902	0.4
129.01846	0.1
131.04918	0.1
137.05943	0.1
137.33414	0.1
139.03819	0.1
141.06871	0.1
142.70248	0.1
145.02820	0.5
145.04924	0.2
149.02324	0.4
153.01811	4.2
154.02158	0.1
159.04462	0.1
159.09251	0.1
161.05959	0.1
163.03915	0.4
165.01720	0.1
167.07008	0.1
169.06470	0.3
171.02852	0.6
181.04956	0.2
183.04343	0.1
187.03932	0.1
197.05949	0.3
203.07076	0.1
215.07022	1.0
225.05389	0.4
229.04938	0.3
243.06551	0.5
247.05963	0.1
253.04996	0.3
270.05359	0.1
271.05978	100.0
272.06311	2.5
372.15036	0.1
415.09991	0.1
415.14880	0.2
433.11063	0.6
433.16086	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01857	2.5
55.05519	10.1
57.03416	2.6
59.32885	2.1
62.93767	2.0
67.05502	11.7
67.54793	2.0
69.03427	4.0
69.07066	13.5
70.39453	9.9
71.04993	3.3
79.05488	14.7
81.03406	2.8
81.07057	31.0
83.04992	3.9
83.08611	5.6
85.02903	4.6
85.06548	3.7
87.56328	2.1
91.05463	11.1
91.43723	1.9
93.07030	15.9
95.04954	9.5
95.08596	22.0
97.10139	4.6
105.07027	13.8
107.04945	7.4
107.08595	15.7
109.06512	4.6
109.10145	13.6
111.08075	3.2
111.11691	2.2
114.27387	2.1
117.07047	5.8
119.08588	16.5
121.06477	3.3
121.10130	10.0
122.03567	2.3
123.04433	4.2
123.08061	6.1
123.11716	6.1
123.26346	2.2
125.06020	3.5
125.09687	2.6
128.06239	2.8
131.08537	9.4
133.06491	2.9
133.10132	11.8
133.97752	1.9
135.08058	3.5
135.11674	5.0
137.05959	12.3
137.13249	2.9
139.07446	2.5
143.08504	4.2
145.06496	5.0
145.10117	7.2
147.08073	2.1
147.11700	8.0
149.09575	2.7
149.13271	3.6
151.07521	4.1
151.11122	2.3
153.01836	5.2
153.05423	2.4
155.08444	2.3
156.18356	2.1
157.10124	8.1
159.08052	5.6
159.11703	3.9
161.09563	2.3
161.13283	2.0
163.11160	2.0
165.05470	8.2
165.09131	2.6
166.06287	7.3
167.07042	34.6
169.10181	2.8
171.11700	3.9
173.06004	3.2
173.09631	2.8
175.07498	2.4
175.14868	2.5
176.08299	3.0
179.06955	2.9
181.04933	6.6
181.08589	32.3
181.10101	1.8
183.11729	2.5
187.07529	3.9
187.11218	2.9
187.14719	3.0
189.05368	3.1
189.12787	4.8
193.08434	2.6
195.06584	3.7
195.10043	2.5
202.09856	7.8
204.07776	4.5
205.08537	6.9
205.12350	3.2
211.14821	2.6
217.08569	4.6
219.10204	7.6
221.08044	3.5
231.10127	5.0
233.11678	2.8
235.09709	3.3
239.07068	3.2
241.08595	6.3
247.07422	2.9
247.09731	3.7
251.10489	2.3
253.04950	3.5
259.47937	2.4
261.11255	7.5
263.06949	2.7
268.07333	2.7
269.08142	3.2
271.06018	7.2
283.09665	9.4
285.07611	4.2
286.08279	4.4
287.05530	4.6
296.10339	3.3
299.09094	4.4
299.20166	3.4
300.09756	3.6
301.10663	3.0
305.11682	2.7
306.12439	4.0
307.09830	3.1
314.11444	2.9
321.07526	2.2
321.11243	2.8
329.10162	47.7
341.20926	3.5
344.12531	100.0
345.13132	7.3
351.12234	5.3
357.13379	10.6
365.13815	7.8
366.14539	8.2
376.15765	2.2
382.14111	2.9
383.14978	3.4
385.16226	4.0
397.16431	13.8
397.30893	9.4
403.13867	2.5
415.17444	11.6
415.31967	6.4
433.25449	15.2
433.30316	2.7
433.32999	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	433.113
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
53.03952	0.3
55.01865	0.3
55.05505	0.3
57.03432	3.8
59.04993	0.3
61.02918	0.3
61.74228	0.1
63.05044	0.1
65.03946	0.1
68.99786	0.5
69.03428	0.3
69.37165	0.2
69.37572	0.8
71.01363	0.2
71.04987	27.7
72.05318	0.2
73.02904	0.5
75.04470	0.8
79.05515	0.2
83.05003	0.5
85.02898	27.4
86.03230	0.2
87.04464	0.6
87.26820	0.1
95.04971	0.1
99.04456	0.1
103.03951	0.1
105.03389	0.2
107.04964	0.4
109.02882	0.3
111.00800	0.6
111.04465	0.6
121.02861	2.8
123.04445	0.3
127.03921	0.1
129.05472	6.2
133.02838	0.3
135.04445	0.1
137.02342	0.9
139.03864	0.2
145.06474	0.2
147.04430	0.5
147.06499	1.1
153.01810	4.0
154.02353	0.1
157.06505	0.4
161.06009	0.2
165.01836	1.9
169.06456	0.1
171.04434	0.2
175.03975	0.1
181.73746	0.1
183.02873	0.8
185.04620	0.1
185.05920	0.5
189.05484	0.2
197.06055	0.1
203.07042	0.1
213.05443	1.5
229.04942	0.1
231.06450	0.6
241.04955	1.0
243.06572	0.1
245.04311	0.1
258.05252	1.2
259.06036	0.4
269.04501	0.2
271.05978	0.4
271.09409	0.1
287.05472	100.0
288.05832	2.6
291.60754	0.1
299.05536	0.2
311.05099	0.1
329.06467	0.5
353.06573	0.1
379.08228	0.2
397.09140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	5.4
67.05507	6.4
68.24591	3.3
69.03422	12.7
69.07050	4.8
70.06576	7.1
71.04979	4.6
71.59823	7.1
79.05493	7.0
81.03403	5.5
81.07050	8.1
83.04974	5.7
85.02895	21.9
85.06529	4.5
86.09701	4.3
91.05460	5.7
93.07031	15.7
95.04927	4.2
95.08590	12.7
97.02888	7.7
97.06545	3.9
99.08086	7.9
105.07019	14.8
107.04906	5.8
107.08591	24.6
108.08097	5.5
109.06505	6.2
109.10165	8.4
111.08075	4.3
119.08587	8.8
121.02851	3.5
121.06487	14.2
121.10130	20.3
123.04451	11.0
123.08079	13.9
123.11704	4.0
127.03922	6.8
131.08546	8.5
133.10132	19.7
135.08066	7.9
135.11668	9.2
137.05974	4.5
137.09595	4.5
139.03897	13.2
145.10101	5.8
147.04462	4.3
147.11659	8.0
149.09608	27.1
149.13234	12.6
151.03850	5.2
151.11176	11.0
153.01776	8.5
153.09106	4.0
159.11711	4.5
161.09668	4.9
161.13231	5.2
163.14824	17.0
165.12724	4.3
167.07085	4.1
173.13206	17.6
177.12671	4.5
178.12231	25.0
179.10579	4.9
181.04939	12.9
183.02759	3.7
191.14307	56.7
206.05363	4.8
209.15361	100.0
217.15886	7.3
222.14952	4.8
234.18530	36.4
235.13329	5.9
235.16956	15.4
240.19612	7.1
252.15948	8.2
252.19559	35.0
253.14333	7.1
253.17952	7.3
267.06281	5.2
270.09299	4.6
270.17084	4.5
270.20612	10.7
271.06042	24.1
271.10532	3.7
273.07535	4.0
283.06027	40.4
295.06049	8.3
309.07587	10.3
313.07062	39.5
323.09137	10.4
337.06979	20.1
367.08020	13.2
379.08014	7.2
397.08957	7.0
403.13861	3.7
415.10110	11.5
432.14343	7.6
432.26196	21.5
433.14655	17.6
433.20078	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	431.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.7
55.01864	6.1
55.05510	13.0
57.03440	20.7
61.02929	49.6
65.03923	2.2
67.05505	63.5
69.03079	2.4
69.03429	25.6
69.07069	19.7
70.21173	3.8
70.21587	3.1
71.01348	4.4
71.04980	7.2
73.02920	18.8
75.04514	1.7
79.05495	32.6
81.03417	22.1
81.07056	81.5
83.04987	10.2
83.08622	16.4
85.02425	3.1
85.02908	48.4
85.03428	2.3
85.06539	6.4
87.04475	2.0
91.03954	26.1
91.05478	20.0
93.06466	3.3
93.07044	61.8
95.04980	9.4
95.08604	21.0
97.02892	41.7
97.06535	15.7
97.10136	1.5
98.89146	1.6
99.04459	11.2
99.08087	4.4
101.02369	9.4
103.03941	3.1
105.07046	10.7
107.04923	4.4
107.08588	30.3
109.02868	10.4
109.06531	4.7
109.10152	7.1
111.08073	9.9
115.03964	3.4
117.05514	2.5
117.07000	10.6
119.08557	6.0
121.06499	5.0
121.10138	21.9
123.04424	3.8
123.08068	3.6
123.11723	4.2
125.09544	1.9
127.03918	26.1
129.05478	4.4
131.08562	13.5
133.10139	12.2
135.11703	11.9
135.27937	1.7
136.07574	1.9
139.03891	2.2
139.11218	2.5
145.04968	6.8
145.10141	3.9
146.10468	2.8
147.04346	2.7
147.11670	5.9
149.13257	54.8
151.11162	1.9
153.01837	7.4
159.06401	1.8
159.11687	24.3
160.11978	1.7
161.13216	3.3
164.06987	1.8
165.12787	2.3
167.06993	6.5
171.11676	1.6
173.13257	2.6
177.12749	19.7
181.08493	1.9
183.06511	5.6
185.13301	1.7
187.11182	2.5
195.13811	49.9
201.07587	5.8
205.12289	1.6
206.12622	3.6
213.14859	8.0
216.10960	3.8
219.13742	2.5
233.11726	1.7
234.12091	2.2
269.17493	100.0
270.17783	4.4
297.16983	4.5
311.18457	10.0
339.78091	1.6
352.93381	1.8
377.19626	4.7
395.20663	2.3
413.21594	8.9
431.09723	3.1
431.22293	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	432.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	5.4
67.05507	6.4
68.24591	3.3
69.03422	12.7
69.07050	4.8
70.06576	7.1
71.04979	4.6
71.59823	7.1
79.05493	7.0
81.03403	5.5
81.07050	8.1
83.04974	5.7
85.02895	21.9
85.06529	4.5
86.09701	4.3
91.05460	5.7
93.07031	15.7
95.04927	4.2
95.08590	12.7
97.02888	7.7
97.06545	3.9
99.08086	7.9
105.07019	14.8
107.04906	5.8
107.08591	24.6
108.08097	5.5
109.06505	6.2
109.10165	8.4
111.08075	4.3
119.08587	8.8
121.02851	3.5
121.06487	14.2
121.10130	20.3
123.04451	11.0
123.08079	13.9
123.11704	4.0
127.03922	6.8
131.08546	8.5
133.10132	19.7
135.08066	7.9
135.11668	9.2
137.05974	4.5
137.09595	4.5
139.03897	13.2
145.10101	5.8
147.04462	4.3
147.11659	8.0
149.09608	27.1
149.13234	12.6
151.03850	5.2
151.11176	11.0
153.01776	8.5
153.09106	4.0
159.11711	4.5
161.09668	4.9
161.13231	5.2
163.14824	17.0
165.12724	4.3
167.07085	4.1
173.13206	17.6
177.12671	4.5
178.12231	25.0
179.10579	4.9
181.04939	12.9
183.02759	3.7
191.14307	56.7
206.05363	4.8
209.15361	100.0
217.15886	7.3
222.14952	4.8
234.18530	36.4
235.13329	5.9
235.16956	15.4
240.19612	7.1
252.15948	8.2
252.19559	35.0
253.14333	7.1
253.17952	7.3
267.06281	5.2
270.09299	4.6
270.17084	4.5
270.20612	10.7
271.06042	24.1
271.10532	3.7
273.07535	4.0
283.06027	40.4
295.06049	8.3
309.07587	10.3
313.07062	39.5
323.09137	10.4
337.06979	20.1
367.08020	13.2
379.08014	7.2
397.08957	7.0
403.13861	3.7
415.10110	11.5
432.14343	7.6
432.26196	21.5
433.14655	17.6
433.20078	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	430.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	6.5
57.03434	5.6
59.04995	7.9
67.05488	7.8
69.03418	6.7
69.94772	21.6
70.06583	23.4
71.04976	5.6
81.03379	4.8
81.07059	5.7
85.02918	23.5
85.06556	4.6
91.05464	9.8
93.07047	12.1
95.04951	5.9
95.08600	11.3
96.04484	5.1
98.20801	5.5
105.07030	21.2
105.15036	5.0
107.08582	17.9
108.50562	4.2
109.06503	14.4
109.10107	10.9
112.07622	10.0
114.05536	12.3
119.08569	30.7
121.10124	8.2
122.09606	5.5
123.04420	26.9
123.08060	7.8
124.07591	8.4
127.03909	4.9
127.85632	4.8
129.48552	5.2
131.08519	7.0
133.10158	6.0
135.08069	5.7
135.11728	6.2
137.09613	91.0
139.03909	5.4
145.10143	12.0
147.08055	5.7
147.11653	41.1
148.11195	8.2
149.09602	8.9
156.09344	5.2
156.56190	4.8
158.08133	11.1
163.11124	7.8
171.11678	5.7
184.09558	4.4
189.12718	43.1
207.13809	100.0
220.16934	13.7
232.16948	18.7
250.17976	32.5
251.18570	10.9
268.19107	8.9
273.07645	11.0
312.91205	4.6
412.23206	10.5
430.24628	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	431.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
56.96281	3.8
56.96558	40.1
57.03417	3.0
60.58521	2.4
61.02902	4.6
69.03432	11.0
69.05778	2.1
69.94395	4.0
69.94807	10.4
70.06577	4.8
71.04967	2.1
81.03407	5.8
84.96010	14.9
85.02887	26.8
86.09695	4.5
87.04454	4.7
91.05807	4.2
97.02890	19.6
98.20807	2.8
98.97575	57.4
98.98224	3.9
98.98498	3.0
99.04459	3.0
109.02820	3.8
110.07154	2.9
110.97568	10.3
116.98608	68.2
119.01923	6.2
123.04594	3.7
127.03902	11.7
128.98582	31.9
131.00162	8.5
133.03485	2.4
134.99644	48.5
136.06180	21.0
137.06602	4.5
138.05545	3.5
139.03906	4.1
143.00101	10.7
143.01900	2.5
145.03433	4.0
145.04941	3.4
146.99648	43.8
147.04404	3.3
149.01242	7.8
153.00664	3.8
153.01802	26.8
153.02991	3.5
155.01897	2.6
158.99701	11.6
161.01187	33.8
162.99150	5.8
165.00687	5.4
170.99673	6.6
173.02921	3.0
177.00691	22.3
179.02177	11.9
182.99634	3.3
185.02908	2.3
186.99068	3.0
189.00691	13.4
191.03937	2.5
195.01743	4.3
201.00723	17.7
207.01747	3.3
208.97585	2.6
211.00830	4.6
213.00691	6.0
213.05986	3.4
215.00420	2.9
217.91084	2.2
219.01762	58.0
221.00652	2.9
221.05069	7.3
226.98470	5.1
229.02039	3.4
234.98964	2.6
237.02805	100.0
242.03235	3.8
244.99609	23.6
247.02879	5.0
255.03876	8.6
260.04276	3.7
261.02795	10.2
261.08289	3.9
263.00732	40.6
268.99521	3.6
279.03857	20.7
279.09491	2.5
283.00983	3.3
287.00735	11.2
287.09720	3.2
302.05542	6.3
305.10690	3.1
313.02185	4.1
323.00711	8.1
329.01807	5.7
333.10355	4.6
337.11246	2.4
341.01782	5.8
353.02750	3.0
359.02686	3.6
371.02722	36.5
375.04077	4.1
389.03900	95.3
407.04669	3.8
412.05493	10.3
413.06778	8.6
431.04941	6.4
431.10526	5.1
431.16919	5.7
448.64731	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	430.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.3
55.05510	3.5
56.05032	2.4
57.03420	2.0
57.07055	2.5
58.06597	2.7
67.05505	16.6
69.03420	7.4
69.07075	2.9
70.06579	7.9
71.30090	4.6
81.07061	5.5
84.08107	2.2
85.02895	8.7
85.06538	13.3
86.06013	2.5
86.09728	2.3
91.05463	4.2
93.07036	7.7
95.04968	3.0
95.08604	77.4
96.08134	3.5
96.91236	2.1
105.07021	8.1
107.08604	14.5
108.08115	73.4
109.06512	4.6
110.06051	3.2
113.05991	12.6
114.05564	6.7
119.08584	18.7
121.10130	13.2
123.04414	4.9
123.08066	31.9
123.11670	3.1
124.07492	2.0
126.09228	2.7
127.03983	2.3
131.08540	2.4
133.10088	6.6
135.11667	17.4
137.09601	2.9
145.10187	3.2
147.11679	7.9
148.11211	3.2
149.09608	31.5
150.12848	4.1
151.07538	3.2
151.14841	5.0
161.08388	5.1
161.13223	11.1
163.11235	10.5
165.12749	8.9
176.10693	34.6
177.05463	4.8
179.14305	4.0
189.12788	19.0
190.15889	2.6
207.13809	100.0
208.14188	3.0
225.14809	10.1
232.16942	13.8
233.15347	3.9
250.18011	36.7
289.88715	2.2
301.69299	2.0
315.13031	2.2
356.16782	5.1
412.23148	5.9
430.15298	3.2
430.24304	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	430.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
53.19078	0.3
55.01859	1.1
55.05504	0.7
56.05004	0.4
56.96560	1.9
57.03437	2.4
59.04986	0.4
60.04531	0.4
61.02922	2.4
61.90115	0.4
69.03420	6.5
69.07066	4.8
69.87268	0.9
69.87692	1.2
70.03772	0.4
70.06583	1.1
70.95332	0.3
71.01350	0.4
71.04986	1.1
72.08172	0.5
73.02918	2.0
76.07632	0.5
79.01856	0.4
81.03416	2.6
83.04962	1.1
84.04501	0.8
84.08150	0.8
84.96046	0.7
85.02899	12.8
85.06540	0.5
86.03230	0.5
86.09702	60.0
87.04462	1.9
87.10036	0.7
91.03963	0.9
91.05451	0.7
92.28428	0.4
95.04935	0.5
97.02888	8.0
98.03197	0.5
98.97575	3.6
99.04446	1.2
101.06006	3.3
107.04923	0.4
108.08092	0.7
109.02879	2.2
110.06028	0.5
112.99123	0.6
113.02395	0.5
115.03936	0.7
116.07082	0.4
116.98621	2.5
119.01907	1.4
119.03542	1.6
119.04967	2.2
119.05653	0.3
122.07108	0.5
123.04421	0.7
124.03925	0.3
124.07617	0.5
125.02306	0.4
127.03912	4.1
128.98619	1.2
131.00160	1.2
131.01920	1.0
132.10197	43.3
133.03377	1.2
133.04984	0.5
133.10580	0.8
134.06036	0.7
134.99637	1.1
136.06180	100.0
136.07495	4.7
137.04593	3.7
137.06497	1.4
137.08075	1.9
138.05492	5.7
139.04036	0.4
143.00192	0.7
143.01866	0.9
143.03436	0.8
145.03497	0.7
145.04938	3.1
146.99643	1.0
148.03911	0.5
148.06551	0.6
148.07561	1.8
148.56654	0.7
149.01244	1.3
150.05602	1.0
150.09190	0.5
152.05679	0.9
152.07098	1.1
153.00679	0.6
153.01825	5.0
154.02194	0.7
155.01900	1.3
157.03401	0.5
158.99632	0.7
159.05019	1.0
160.07559	0.4
161.01210	0.7
161.02960	1.3
161.04584	0.4
162.05472	1.2
162.09135	1.2
163.02866	0.3
163.04553	0.4
164.07077	0.4
165.04282	0.4
166.08582	0.8
167.05579	0.6
167.07022	0.3
170.05078	0.5
170.99689	0.4
171.04999	1.3
173.02985	1.5
173.04715	0.3
173.06584	0.4
175.02751	0.6
175.04387	0.5
176.10765	0.5
177.00679	1.4
177.06198	0.6
178.04890	1.9
178.55095	0.6
185.02890	0.4
186.09064	0.8
187.04497	0.4
189.00711	1.0
189.06117	0.6
201.00565	0.5
201.06068	0.5
203.02306	0.4
203.04013	0.7
203.07596	0.4
204.10168	1.0
211.04765	0.5
213.06053	0.7
214.08684	0.8
219.01717	2.9
219.07330	0.8
221.05046	2.2
221.06810	0.4
222.05319	0.4
223.04657	0.4
225.06102	0.5
229.09036	1.2
230.09076	0.8
231.07103	0.9
232.09625	2.5
237.02827	4.6
245.05157	1.0
250.03925	0.5
250.10770	2.7
255.03729	0.5
259.06680	1.0
261.08115	1.2
263.00644	0.4
267.09683	0.8
268.10284	4.3
269.10980	0.4
277.03433	1.0
279.03845	0.7
279.09381	2.1
283.59875	0.5
295.07001	0.9
298.11514	0.7
300.10712	0.5
303.01154	1.2
308.09656	0.5
310.06052	0.4
310.11240	1.2
310.61505	2.4
311.11533	1.5
317.10040	0.5
318.10672	1.0
321.10229	1.3
322.10501	0.9
323.10068	0.6
337.08112	0.5
351.05826	0.6
360.03018	0.4
370.08029	0.4
383.44669	0.5
389.03702	0.5
407.97604	0.4
412.16071	2.0
413.16904	0.4
430.16870	10.2
431.10239	2.0
431.16229	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26427	1.7
55.01864	13.5
56.32869	1.8
56.99226	1.6
57.03431	16.4
57.07076	12.9
61.02919	13.0
63.04489	16.8
67.05494	2.8
69.03081	2.0
69.03426	32.3
70.06245	2.8
70.06592	36.7
71.01334	3.5
71.04974	4.1
71.61538	3.3
73.02912	87.5
81.03423	4.8
81.07029	2.2
85.02899	74.4
85.06511	2.1
86.03211	1.6
86.09691	4.6
87.04443	4.3
91.03942	3.7
91.05473	6.5
93.07019	2.6
95.04956	4.8
95.08596	10.0
96.04480	24.2
97.02884	61.6
99.04447	5.5
99.68360	1.6
107.08553	1.8
108.08141	4.3
109.02877	6.3
109.06454	2.2
112.07581	2.8
113.06008	1.7
114.05522	57.6
115.03918	26.6
119.08596	2.7
119.10686	100.0
120.11007	2.1
121.10117	4.3
123.04424	16.0
123.08086	3.4
123.11691	1.7
127.03897	21.4
133.04955	35.1
135.04430	1.8
135.11690	3.2
141.05449	2.0
145.04955	29.4
147.04413	5.1
147.11589	2.4
149.09589	5.7
151.03894	2.3
153.01801	3.7
158.08147	3.1
159.09157	2.0
163.06013	15.0
163.11136	2.2
169.09767	2.8
176.10602	1.7
177.05476	18.6
181.05057	1.9
199.06053	2.5
203.03387	7.4
204.08635	3.0
207.13763	20.5
215.12781	3.7
217.06952	2.4
221.04483	6.3
223.06058	3.9
225.14816	2.9
241.07089	7.1
245.09407	2.1
250.17931	9.0
251.14989	5.6
259.08148	13.6
260.09158	2.2
268.15549	1.9
268.18832	1.8
273.07443	4.0
277.09177	3.3
278.10101	2.1
281.15958	5.5
295.10132	5.5
329.10141	6.1
349.43347	1.9
355.08105	5.4
412.13739	7.4
430.14822	15.1
430.20258	3.6
430.25064	2.3
431.18710	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53186	1.7
53.03938	3.0
55.01867	4.0
55.05500	5.0
55.88741	1.7
57.03428	2.2
65.26487	1.9
67.05491	6.9
69.03420	6.3
69.07050	3.0
69.58332	1.9
69.68127	4.8
69.68540	8.6
71.04984	9.7
79.05486	21.1
81.03407	4.8
81.07065	9.2
82.65552	1.8
82.94504	1.6
83.04976	2.9
85.02914	14.5
85.87811	1.7
91.05453	22.5
93.07040	27.9
95.04948	8.2
95.08614	3.7
97.02874	12.6
97.06527	8.9
99.04446	42.4
105.06376	3.3
105.07029	41.6
107.04939	7.8
107.08603	22.1
109.02891	2.7
109.06528	4.3
111.10663	1.8
117.07016	13.1
119.04906	4.8
119.08600	12.7
121.06500	25.1
121.10128	3.4
123.04410	5.3
125.05992	5.1
127.03903	2.8
128.06197	2.2
129.06998	5.1
130.07761	5.4
130.60857	1.8
131.08548	19.0
133.06511	3.7
133.10120	8.2
135.04454	2.5
135.08023	8.6
137.05962	4.9
139.07513	7.3
141.07034	2.2
143.08531	7.2
144.09326	8.0
145.04968	2.5
145.06470	13.9
145.10117	75.5
149.05966	2.8
153.01787	6.7
154.07758	4.0
155.08542	5.0
157.10136	2.8
158.07280	14.6
159.08046	16.0
159.11685	63.8
161.13229	2.3
167.07106	2.9
169.10121	10.9
171.08037	3.5
172.08821	6.0
173.09615	73.0
180.08678	3.6
182.07198	3.7
187.11182	64.3
188.11525	2.0
191.10693	4.1
197.09622	8.6
198.98029	2.6
205.12231	69.4
205.14159	3.8
215.10658	100.0
233.11728	45.4
251.12726	16.6
268.15656	2.7
287.05527	4.2
304.01636	2.2
327.05313	1.9
332.01099	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	430.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11060	1.3
55.01865	2.9
55.05502	3.8
57.03429	3.4
58.99630	1.3
61.02916	2.6
67.05490	6.6
69.03417	3.5
69.07055	3.7
70.06594	2.0
70.74837	2.4
70.75184	1.9
71.04986	8.4
79.05486	8.2
81.03413	3.5
81.07051	11.3
83.04945	1.5
85.02887	7.9
85.06540	2.8
89.06043	2.0
90.99070	1.5
91.05450	13.1
93.07029	9.9
95.04959	5.5
95.08590	2.7
97.02872	4.1
97.06512	3.8
99.04440	34.6
105.07021	14.1
107.04974	3.2
107.08585	4.1
109.02871	2.2
109.06509	3.4
109.10154	2.8
111.04430	1.7
113.06033	1.5
117.07022	7.7
119.08569	4.3
121.06506	7.7
121.10133	2.0
123.04402	16.6
123.98411	1.3
127.03913	2.7
127.07568	1.9
129.07008	2.4
130.07735	2.3
131.08559	12.8
133.06470	3.5
133.10110	13.9
135.04393	2.0
135.08029	2.6
135.11769	1.6
137.06007	2.6
139.03969	2.1
139.07536	1.5
141.06969	2.7
143.08571	7.2
144.09354	4.0
145.06462	7.1
145.10106	79.9
147.04382	2.4
149.13295	3.7
153.01843	1.9
154.07780	2.3
155.08533	2.1
157.10130	4.9
158.00035	12.8
158.07266	8.5
159.08046	8.3
159.11676	35.0
161.06023	1.7
163.11226	1.9
167.07033	2.3
169.10092	8.1
171.11717	1.4
172.08852	4.2
173.09608	28.8
173.11035	2.5
179.08566	1.6
187.11166	50.6
191.10652	4.2
197.09636	5.3
205.12216	71.1
215.10651	100.0
216.10928	2.2
233.11710	48.9
233.15335	3.0
251.12759	17.6
269.17484	4.9
430.25009	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	430.1495
Annotation	Cottoquinazoline A
Peak:m/z	Relative Intensity
50.11940	0.2
51.41258	0.2
53.03937	0.2
55.01871	9.7
55.05497	0.2
56.05030	0.3
56.53473	0.2
58.06596	0.4
60.04535	0.2
63.54516	0.2
65.47923	0.2
68.05025	0.5
68.99791	0.5
69.03413	0.7
70.04067	0.3
70.06592	8.5
70.20576	0.3
70.20982	0.6
79.05502	0.3
81.03419	1.5
81.07045	0.5
84.04517	0.5
84.05161	0.2
85.02902	0.7
86.09686	0.5
91.05471	0.7
93.07019	0.4
95.04972	0.5
95.08595	0.5
96.04488	49.0
96.08111	0.3
97.02874	0.5
97.04826	0.3
102.40353	0.2
103.05482	0.6
105.07026	0.4
107.04945	0.7
107.08600	0.3
109.02882	0.3
109.06518	0.6
109.10140	0.2
112.05056	0.3
112.07611	0.5
114.05525	100.0
115.05875	0.6
119.04918	0.9
119.08585	0.3
121.06509	1.0
121.10136	0.3
122.06026	1.3
123.04426	9.7
123.08074	0.4
127.03889	0.2
131.04955	0.3
131.08495	0.3
133.10094	0.5
135.04407	1.3
135.07979	0.2
136.07530	0.4
137.06007	0.2
137.09607	0.2
139.03902	0.8
145.10194	0.2
147.04405	3.6
149.05977	2.4
149.09669	0.3
151.03928	0.4
153.01837	0.5
158.05615	0.6
158.08122	0.6
159.04446	0.3
161.05965	0.5
163.03928	0.3
163.11169	0.2
165.05487	2.5
173.05914	0.3
173.13272	0.2
175.07559	0.5
177.05464	33.1
178.05769	0.5
188.07153	0.2
189.05489	0.5
189.12779	0.3
193.73567	0.2
201.05489	0.3
204.08653	0.2
207.06557	0.9
207.13794	0.3
209.15356	0.4
216.10255	0.5
225.14780	0.2
232.17033	0.4
233.04402	0.2
234.11220	0.5
242.08281	0.4
250.18037	1.3
260.09167	1.0
268.19077	0.6
273.07581	1.0
278.10248	0.7
292.09317	0.6
311.09161	0.3
329.10190	13.3
330.10400	0.4
386.16010	0.7
412.13885	4.4
412.22845	0.3
430.14972	18.5
430.23920	1.0
431.15286	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.7
51.25409	0.4
68.11052	0.5
68.99780	1.3
69.42241	1.3
69.42662	3.1
70.06588	30.1
77.03929	0.8
95.04960	1.1
105.03373	1.5
111.00785	2.2
112.07596	30.7
116.07094	4.4
123.04420	100.0
124.04752	1.5
127.03869	0.4
135.04393	2.6
139.03879	6.7
140.07059	7.4
147.04408	6.8
151.03889	2.0
157.06485	0.5
158.08115	33.7
161.05893	0.7
163.03925	1.5
163.07573	1.4
169.89703	0.5
189.05495	2.0
242.41556	0.4
245.04465	1.1
255.06517	1.3
273.07559	37.4
274.07977	1.0
292.11752	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11940	0.2
51.41258	0.2
53.03937	0.2
55.01871	9.7
55.05497	0.2
56.05030	0.3
56.53473	0.2
58.06596	0.4
60.04535	0.2
63.54516	0.2
65.47923	0.2
68.05025	0.5
68.99791	0.5
69.03413	0.7
70.04067	0.3
70.06592	8.5
70.20576	0.3
70.20982	0.6
79.05502	0.3
81.03419	1.5
81.07045	0.5
84.04517	0.5
84.05161	0.2
85.02902	0.7
86.09686	0.5
91.05471	0.7
93.07019	0.4
95.04972	0.5
95.08595	0.5
96.04488	49.0
96.08111	0.3
97.02874	0.5
97.04826	0.3
102.40353	0.2
103.05482	0.6
105.07026	0.4
107.04945	0.7
107.08600	0.3
109.02882	0.3
109.06518	0.6
109.10140	0.2
112.05056	0.3
112.07611	0.5
114.05525	100.0
115.05875	0.6
119.04918	0.9
119.08585	0.3
121.06509	1.0
121.10136	0.3
122.06026	1.3
123.04426	9.7
123.08074	0.4
127.03889	0.2
131.04955	0.3
131.08495	0.3
133.10094	0.5
135.04407	1.3
135.07979	0.2
136.07530	0.4
137.06007	0.2
137.09607	0.2
139.03902	0.8
145.10194	0.2
147.04405	3.6
149.05977	2.4
149.09669	0.3
151.03928	0.4
153.01837	0.5
158.05615	0.6
158.08122	0.6
159.04446	0.3
161.05965	0.5
163.03928	0.3
163.11169	0.2
165.05487	2.5
173.05914	0.3
173.13272	0.2
175.07559	0.5
177.05464	33.1
178.05769	0.5
188.07153	0.2
189.05489	0.5
189.12779	0.3
193.73567	0.2
201.05489	0.3
204.08653	0.2
207.06557	0.9
207.13794	0.3
209.15356	0.4
216.10255	0.5
225.14780	0.2
232.17033	0.4
233.04402	0.2
234.11220	0.5
242.08281	0.4
250.18037	1.3
260.09167	1.0
268.19077	0.6
273.07581	1.0
278.10248	0.7
292.09317	0.6
311.09161	0.3
329.10190	13.3
330.10400	0.4
386.16010	0.7
412.13885	4.4
412.22845	0.3
430.14972	18.5
430.23920	1.0
431.15286	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3725
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05506	3.1
57.07074	14.3
67.05500	4.8
69.07079	3.3
71.08628	11.1
71.33279	0.7
71.33633	0.8
79.05470	1.3
79.05923	0.4
81.07051	5.7
83.04954	1.1
83.08618	2.4
85.10179	5.3
91.05470	1.7
93.07053	2.3
94.60530	0.5
95.08609	6.5
97.10153	1.6
102.74120	0.5
105.07034	1.6
107.08601	5.2
109.06544	0.4
109.10144	5.8
111.04445	0.8
111.11704	1.6
114.53330	0.4
117.07001	0.5
119.08566	4.2
121.06532	2.2
121.10119	3.2
122.07244	1.1
123.08043	1.3
123.11681	1.0
125.05982	0.8
126.48956	0.5
131.08557	1.6
133.10133	1.2
135.08046	4.3
135.11681	2.0
136.08817	1.1
137.05968	1.2
137.09612	9.3
137.13235	0.7
139.07527	1.2
144.09315	0.9
145.06705	0.4
145.10080	1.6
147.11697	0.7
149.09615	12.7
151.07541	1.1
151.14847	0.8
159.08046	1.1
159.11658	2.5
160.08888	1.0
161.09615	1.1
162.06766	0.5
163.07507	0.5
163.11171	19.8
164.08333	4.1
164.11452	0.5
165.09106	100.0
165.16411	0.7
166.09418	2.1
171.11732	0.6
172.12451	0.7
173.09619	1.7
173.13226	1.9
175.07564	1.1
175.11168	4.6
176.08342	1.6
177.09111	10.5
177.12668	2.3
178.09369	0.8
179.10661	1.3
186.10373	0.8
187.11211	2.4
187.14856	0.7
189.09175	0.9
189.12701	2.2
190.09888	0.6
191.10643	8.8
196.00867	0.5
200.11882	0.4
201.12776	3.2
203.10664	1.6
203.14250	1.0
204.11328	0.8
205.12250	10.1
215.14265	1.3
219.13750	4.4
233.15332	2.2
247.17032	1.0
261.18512	0.8
275.20090	1.5
289.21683	1.1
303.23270	1.5
317.24780	1.2
331.26401	0.8
359.29395	0.6
373.31030	1.3
389.31000	0.5
401.34131	2.4
411.36392	2.3
429.37265	56.6
430.37930	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	429.2117
Annotation	Carolenalin 4-O-beta-D-glucoside
Peak:m/z	Relative Intensity
51.99075	1.9
53.03946	9.3
55.05508	11.3
57.03436	13.7
61.02882	2.0
67.05509	10.9
69.03426	30.0
69.07066	4.4
71.04982	8.2
71.60313	2.2
73.02917	2.8
79.05486	13.9
81.03414	70.3
81.07052	15.6
83.04984	15.1
83.08611	15.5
85.02906	19.6
87.04472	2.4
91.05462	10.2
93.07041	10.3
95.04954	18.4
95.08607	10.4
97.02888	44.2
97.06547	2.8
97.10159	3.7
97.97475	1.6
99.04450	6.3
105.07026	15.1
107.04956	2.8
107.08598	8.5
109.02878	11.8
109.06525	4.4
109.10185	4.3
111.04451	10.0
111.08073	10.3
113.00026	2.9
117.07011	2.5
119.08584	13.1
121.06486	2.1
121.10150	4.9
123.04423	1.8
123.08031	2.7
123.11710	2.9
125.09608	3.2
127.03909	13.7
129.05481	6.7
129.06996	5.8
131.08560	8.1
133.10127	7.0
133.65739	1.7
135.11674	3.1
145.10165	1.7
147.08066	3.4
147.11644	13.8
149.09602	4.2
153.27631	1.6
157.10136	11.0
163.11150	2.7
165.05060	2.3
165.12782	3.2
169.02544	2.5
175.11206	11.7
178.22530	1.8
181.12306	2.3
189.37466	2.2
191.10616	3.7
193.12234	49.4
211.13287	100.0
212.13599	2.7
220.16281	1.8
227.12738	5.5
229.14297	4.4
249.14841	8.9
267.15918	2.4
285.16934	6.1
314.24191	2.0
355.17563	6.9
393.19394	2.1
411.19925	4.6
429.21194	96.8
429.29834	4.2
430.21411	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	429.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76292	3.1
53.03927	12.6
55.01855	4.4
55.05495	14.2
57.03422	14.3
64.46966	3.2
67.05500	19.7
69.03423	31.2
69.07051	11.7
70.27773	14.4
71.04971	6.0
75.40137	2.8
76.29919	3.3
79.05484	15.1
81.03417	74.2
81.07053	23.2
83.04981	21.9
83.08619	18.1
85.02898	22.5
88.50726	2.9
91.05448	20.7
93.07018	13.1
95.04958	16.3
95.08599	17.3
97.02286	4.0
97.02885	54.1
97.10106	4.5
99.04459	7.1
105.07028	17.3
107.08574	14.2
109.02868	12.2
109.06466	4.5
109.10146	10.9
111.04401	8.6
111.08064	8.4
119.08572	21.2
121.10106	15.1
123.08033	3.1
123.11667	4.6
125.15849	3.8
127.03912	9.2
129.05473	4.4
129.06963	7.3
131.08543	9.8
133.10107	13.1
135.11685	4.4
145.10097	7.4
147.11678	14.2
149.09587	7.1
157.10110	12.6
163.11139	6.1
164.99231	3.4
165.09109	4.0
165.12695	3.6
173.13156	3.5
175.11211	9.9
185.13326	4.1
193.04947	4.4
193.12234	52.8
205.66302	3.5
211.13289	100.0
211.15268	6.5
227.12750	5.3
249.14763	5.0
261.11172	3.5
285.16962	6.5
334.26837	3.3
355.17410	6.0
356.48141	3.6
429.11963	4.1
429.21204	76.3
429.29694	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	429.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.3
55.01863	3.4
55.05507	14.2
57.03443	13.0
60.49855	2.0
67.05506	13.9
69.03425	29.6
69.07063	6.4
70.88686	7.1
71.04975	6.7
79.05496	13.4
81.03416	77.4
81.07059	18.3
83.04978	24.3
83.08613	15.1
85.02901	23.0
91.05439	12.8
93.07042	13.0
94.64040	2.3
95.04967	19.5
95.08597	13.0
97.02892	48.7
97.06541	4.6
97.10181	7.0
99.04458	7.3
104.79557	1.9
105.07032	17.8
107.04963	4.9
107.08585	4.9
109.02888	15.1
109.06538	4.1
109.10169	7.6
111.04444	7.6
111.08067	7.0
119.08546	10.6
121.06520	2.2
121.10170	9.3
123.08031	3.1
123.11714	4.6
125.09651	2.2
127.03896	14.2
129.05479	6.0
129.07004	3.4
131.08574	5.4
133.06525	4.9
133.10136	9.5
137.09602	2.5
142.07797	2.4
145.10132	5.3
147.11713	13.0
149.09654	5.7
153.12738	2.9
157.10144	9.9
159.11700	2.8
163.11153	3.8
165.09169	3.4
165.12794	2.5
175.11160	15.8
181.12239	3.4
183.90227	2.5
191.10681	4.0
193.10458	2.3
193.12239	55.8
211.13298	100.0
227.12793	4.9
229.14398	4.5
249.14893	6.7
267.15994	2.7
285.16968	10.0
355.17618	8.7
411.28296	2.9
429.21259	99.4
429.31790	64.4
430.21298	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.7
55.01861	3.9
55.05507	11.5
57.03435	14.4
61.02917	2.4
62.56429	1.4
67.05502	14.9
69.03426	30.4
69.07050	6.4
69.31729	1.8
69.32046	18.5
71.04973	6.9
79.05484	13.0
81.03416	80.0
81.07052	16.7
83.04527	2.8
83.04975	20.8
83.08619	16.4
83.46891	1.6
85.02895	21.9
87.04462	3.5
91.05461	13.6
93.07047	11.1
95.04975	20.2
95.08604	10.2
97.02890	48.1
97.06489	4.0
97.10153	3.1
99.04452	8.6
105.07015	12.3
107.04906	4.2
107.08557	8.8
109.02869	11.8
109.06477	3.9
109.10155	5.3
111.04416	8.5
111.08075	9.4
119.08582	11.9
121.06512	1.7
121.10163	10.5
123.08016	2.1
123.11728	3.4
125.09611	3.6
126.86375	1.5
127.03888	13.4
129.05463	7.8
129.07022	7.0
131.08566	8.0
133.06497	2.7
133.10123	6.8
135.08044	2.1
135.11676	3.0
137.09595	2.7
142.07793	2.3
145.10071	3.2
147.08060	3.0
147.11664	13.8
149.09596	3.8
153.12706	1.9
157.10114	11.8
163.11226	4.3
165.12749	3.2
175.11163	13.8
191.10696	2.9
193.12241	60.3
195.84869	1.7
211.13278	100.0
212.13625	2.4
213.83839	1.6
227.12822	6.9
229.14360	6.9
249.14824	6.1
267.15845	2.9
285.16953	7.3
355.17581	6.4
411.20334	4.3
429.21179	98.1
429.30032	3.1
430.21579	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37632	0.4
53.03925	0.5
69.03423	0.5
70.78642	0.8
70.79008	0.7
73.02911	0.3
73.04722	0.4
81.03398	1.4
85.02911	0.4
97.02880	0.4
109.02875	2.9
123.04421	1.3
127.03934	0.8
139.03889	1.3
147.04419	0.4
153.01820	3.8
161.05963	0.5
167.05638	0.4
167.07047	0.8
177.05478	0.4
191.03394	0.3
203.03607	0.4
203.05220	1.9
214.91220	0.3
247.02428	0.4
249.14656	0.8
261.12717	0.4
273.07584	0.4
289.06036	0.6
303.01297	2.4
311.49133	0.4
315.01129	0.4
331.00775	0.6
371.16733	1.4
411.10175	0.4
411.19647	0.4
429.20956	100.0
430.21338	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
68.99780	0.7
69.03426	0.9
70.06576	0.5
71.59701	0.6
71.60075	0.5
73.04771	0.6
74.23708	0.4
79.05502	0.4
81.03430	2.0
81.07090	0.5
84.04509	0.8
85.02910	1.2
91.05822	2.2
93.18863	0.5
97.02865	0.5
98.98438	0.4
109.02866	4.3
113.75556	0.4
116.07043	0.4
119.01915	0.5
121.06513	5.0
123.04396	1.1
127.03957	0.9
129.87325	0.4
130.00053	0.4
130.04994	1.2
135.56586	0.4
136.68219	0.4
138.09109	2.0
139.03899	1.6
153.01842	2.3
156.16580	0.5
158.47285	0.5
160.83481	0.5
163.03903	0.6
167.05533	1.6
191.03415	0.5
194.04639	1.1
233.04704	0.5
250.10800	1.0
267.13373	4.7
291.14468	0.6
303.01288	2.2
309.15430	0.5
331.00906	0.4
337.96085	0.5
359.02991	0.9
411.09598	0.5
418.28046	0.4
429.20969	100.0
430.21442	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	7.1
55.01865	2.6
55.05511	12.6
57.03429	13.7
61.13293	1.7
63.22411	1.3
63.84597	1.4
66.88666	1.6
67.05503	12.6
69.03428	30.5
69.07040	5.4
71.04984	7.5
79.05487	10.9
81.03414	71.3
81.07056	14.5
82.68050	1.4
83.04972	24.3
83.08611	16.9
85.02895	22.5
91.05470	13.8
93.07020	7.8
93.75462	1.5
94.54169	1.6
95.04958	17.8
95.08603	8.4
97.02885	50.8
97.06536	2.1
97.10130	2.5
98.21501	3.8
99.04436	6.6
101.02384	1.7
105.07031	11.5
107.04960	2.7
107.08579	5.4
109.02876	13.6
109.06474	2.7
109.10152	4.4
111.04429	5.8
111.08031	8.6
119.08579	11.6
121.06527	2.6
121.10131	7.1
123.08093	1.7
123.11715	2.7
125.09618	2.1
127.03899	10.8
129.05458	5.7
129.06979	5.3
131.08562	9.0
133.06499	2.8
133.10126	6.5
145.10120	3.2
147.07954	2.0
147.11670	9.4
149.09619	6.4
157.10115	6.9
161.13170	2.0
163.11237	3.2
165.12714	2.7
175.11160	11.5
181.12230	3.4
191.10710	3.3
193.12230	46.5
193.92262	1.6
211.13275	100.0
227.12915	4.9
229.14391	4.2
229.19646	1.9
249.14894	7.2
285.17007	8.5
319.15326	1.8
337.16727	2.8
355.17432	3.8
411.20160	2.2
429.21182	85.3
430.21594	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	429.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	1.1
69.61805	4.0
70.06586	1.2
81.03408	3.0
84.77592	0.6
85.02898	1.7
87.04446	0.5
88.81608	0.5
91.05804	1.0
95.05006	0.6
97.02905	0.9
109.02879	7.3
110.03263	0.5
114.05517	1.1
122.85970	0.5
123.04412	3.0
124.04737	0.9
127.03947	1.6
133.06441	0.7
135.04410	0.7
139.03857	3.6
140.04184	1.3
141.04332	0.6
147.04471	0.8
150.07732	0.8
151.03885	0.6
153.01801	3.4
163.03963	0.9
165.04428	0.6
167.05664	0.7
167.07050	1.1
173.33116	0.5
187.11348	0.5
189.05569	0.5
191.03418	1.4
192.03700	0.7
193.08656	0.6
202.10353	0.5
203.03528	0.7
203.05334	1.1
205.32019	0.6
216.74323	0.5
249.14674	0.8
267.15985	0.6
275.01889	0.6
277.05994	1.0
288.05701	0.8
289.06247	1.9
303.01331	3.0
359.02957	0.8
371.16882	1.6
411.09857	0.9
411.19968	0.9
429.21005	100.0
430.21243	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.4
53.52711	0.2
55.93508	0.4
59.86209	0.3
60.04501	0.3
69.03425	0.6
70.06581	0.7
71.04428	0.8
81.03416	2.3
84.08121	0.6
85.02892	0.8
91.05763	0.9
95.04952	0.3
97.02879	0.6
98.98485	0.3
99.04462	0.3
100.15212	0.2
109.02874	4.4
114.05563	0.5
120.08040	0.4
122.48769	0.3
123.04408	1.5
127.03915	1.0
128.05319	0.3
131.08522	0.4
139.03889	1.4
151.03914	0.6
153.01804	3.1
153.02965	0.4
163.04100	0.3
167.05533	0.5
185.02638	0.3
203.05318	0.7
249.14705	0.4
257.00735	0.3
268.11530	0.4
275.01996	0.3
276.02747	0.3
277.00281	0.3
277.03293	0.3
303.01282	1.4
331.00766	0.5
359.02670	0.4
429.20959	100.0
430.15903	0.5
430.21259	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	429.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.4
53.52711	0.2
55.93508	0.4
59.86209	0.3
60.04501	0.3
69.03425	0.6
70.06581	0.7
71.04428	0.8
81.03416	2.3
84.08121	0.6
85.02892	0.8
91.05763	0.9
95.04952	0.3
97.02879	0.6
98.98485	0.3
99.04462	0.3
100.15212	0.2
109.02874	4.4
114.05563	0.5
120.08040	0.4
122.48769	0.3
123.04408	1.5
127.03915	1.0
128.05319	0.3
131.08522	0.4
139.03889	1.4
151.03914	0.6
153.01804	3.1
153.02965	0.4
163.04100	0.3
167.05533	0.5
185.02638	0.3
203.05318	0.7
249.14705	0.4
257.00735	0.3
268.11530	0.4
275.01996	0.3
276.02747	0.3
277.00281	0.3
277.03293	0.3
303.01282	1.4
331.00766	0.5
359.02670	0.4
429.20959	100.0
430.15903	0.5
430.21259	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	429.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89762	0.7
56.96560	1.4
69.03412	0.8
69.77906	0.6
70.91997	1.9
70.92336	0.7
81.03405	1.6
85.02879	2.2
91.05811	5.3
97.02853	1.1
109.02864	2.6
116.98623	0.9
135.10648	0.9
139.03851	1.2
145.04951	0.9
153.01779	4.1
167.05534	3.6
167.06978	1.6
177.00664	1.1
237.02890	1.2
303.01233	0.9
331.05563	0.9
351.53516	0.7
358.67206	1.0
359.02591	3.6
411.12659	3.3
429.13660	100.0
430.14063	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.05502	0.5
55.38007	0.4
61.02919	0.5
69.03415	1.1
70.06581	0.5
70.43276	1.8
71.04954	0.8
79.05496	0.8
81.03408	2.3
81.07052	1.1
83.04980	1.0
85.02885	1.6
85.06539	0.9
91.05443	3.3
92.64863	0.4
93.07040	1.4
95.04980	0.5
95.08601	1.1
97.02853	1.1
98.20933	0.7
98.21479	0.7
103.05468	1.0
105.07020	0.9
107.04909	0.6
107.08607	1.1
109.02865	1.4
109.10138	0.6
119.08604	0.6
121.06473	0.7
121.10073	0.6
123.04411	2.7
127.03914	1.5
131.04939	3.6
133.10133	0.6
135.08035	0.5
137.09608	0.6
139.03897	2.3
147.04424	1.2
153.01845	0.8
176.00871	0.6
181.06523	0.7
185.04190	5.1
211.01349	0.5
247.02382	0.7
249.18565	0.6
257.00885	1.2
262.24677	0.6
266.05505	2.7
267.06247	3.8
275.01782	1.2
277.04822	0.6
285.00281	1.1
289.03403	1.6
293.10214	0.6
303.01355	5.4
304.01608	0.6
315.01404	1.6
321.03748	0.5
328.99219	1.9
331.00870	2.5
359.03003	0.9
411.03345	1.0
429.11499	100.0
429.18781	26.1
430.11844	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	428.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
55.05306	0.8
55.05514	10.3
57.07072	2.2
59.04986	1.1
61.37680	0.7
67.05502	5.9
69.03405	1.3
69.07064	100.0
70.07389	1.1
71.04973	0.9
71.43779	1.4
73.06548	2.3
78.92594	0.8
79.05494	1.9
79.97649	0.9
81.03378	1.0
81.07056	13.7
83.08608	1.8
85.02888	1.6
85.06529	1.2
86.09729	0.8
87.04461	3.7
89.06028	89.2
90.06339	1.3
91.05437	1.0
93.07030	1.6
95.04926	0.9
95.08047	1.0
95.08604	10.6
100.73753	0.8
105.07009	1.9
107.07090	4.4
107.08569	1.2
109.02865	1.4
109.10157	3.9
111.11714	30.9
117.09145	1.5
119.08581	1.5
121.06491	3.3
123.04416	2.5
126.09116	1.2
130.08632	2.6
133.08594	46.4
135.11584	1.2
137.13210	3.0
139.03922	1.4
145.10138	1.0
151.09673	1.3
153.01828	3.2
154.02046	1.0
155.14313	1.2
159.11739	1.5
161.09799	0.8
167.07007	1.2
177.11209	22.2
177.12682	1.7
195.12263	2.4
199.16946	4.5
221.13834	2.2
223.13078	1.2
231.13765	3.2
239.14885	3.9
243.19537	5.2
247.22183	0.8
249.14783	2.2
249.18549	1.0
250.38081	0.9
267.15692	1.6
267.67938	0.8
276.12225	0.9
283.17487	30.1
284.18042	1.4
303.01343	1.1
303.08527	1.1
305.23300	1.5
349.25623	2.1
393.28436	71.8
394.28848	2.5
411.29373	5.7
428.22726	1.1
429.20831	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	429.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
53.03945	8.1
55.01863	2.2
57.03431	0.9
65.03933	0.5
65.08909	0.5
67.05493	1.1
68.99759	0.6
69.03415	2.1
70.06579	1.5
71.04982	2.4
71.58147	0.6
79.05484	0.7
79.82191	0.5
81.03415	37.6
81.07068	0.5
83.04973	0.9
84.04498	1.7
85.02894	1.6
86.09721	0.8
87.70474	0.5
91.05410	0.6
91.05843	0.6
93.07025	0.7
95.04980	1.3
97.02879	4.1
98.98495	0.6
99.04460	1.8
105.07021	0.9
109.02875	100.0
110.03212	1.4
111.04433	1.1
117.06974	0.6
119.04955	1.2
120.08062	0.6
123.04424	14.5
127.03906	24.1
130.04996	0.6
133.06543	0.6
135.04417	1.7
138.09138	9.3
139.03900	20.8
141.06940	0.8
142.15494	0.5
147.04398	4.0
151.03900	16.8
153.01842	1.4
153.06989	0.7
161.06009	1.2
163.03897	4.0
165.05473	1.8
165.06964	0.8
169.04921	1.3
173.02415	0.6
175.03903	1.2
177.05478	1.0
181.06511	1.0
181.85074	0.6
187.03889	0.5
189.02173	0.5
189.12790	0.7
191.03400	0.6
193.05002	2.1
193.08597	1.3
201.01822	3.3
203.03430	0.9
207.06493	1.2
209.06010	0.9
217.01405	0.8
219.02914	0.6
229.01353	3.2
231.02988	1.3
237.05562	2.1
247.02391	3.5
257.00854	7.2
258.01169	0.6
259.02448	2.3
261.03958	1.3
265.05051	1.7
267.13348	1.1
269.04388	0.6
273.00305	1.0
273.07541	0.6
275.01819	5.2
276.02664	5.5
277.07083	8.5
281.04565	0.7
283.05991	0.7
285.00388	5.2
285.03586	1.0
285.07562	0.6
287.01825	0.8
289.03537	5.2
289.06860	1.3
291.08734	1.8
293.04449	1.0
297.03845	1.0
299.01849	0.8
303.01340	47.9
303.08585	14.5
304.01669	0.8
309.04080	0.7
311.05579	1.1
313.03516	1.3
315.01465	5.2
315.05029	0.9
321.03851	1.4
325.03568	0.7
327.04907	0.7
328.99319	6.3
331.00842	9.5
331.04407	0.9
333.02292	1.1
337.03378	1.0
339.01447	0.9
339.05109	3.1
340.99200	0.7
341.03027	1.6
349.03690	0.9
355.04663	1.3
357.06137	1.1
359.02951	0.8
365.03027	1.9
367.00555	0.7
367.04355	3.7
381.02643	0.7
383.04041	2.0
385.05777	1.3
393.02606	1.1
401.05408	0.7
411.03427	2.9
411.19965	4.7
413.53345	0.6
429.04688	5.0
429.11777	0.8
429.21075	25.0
430.04849	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.2
57.07065	2.3
61.15763	1.0
66.10598	1.0
67.05502	6.2
69.03416	1.6
69.07066	100.0
70.07373	1.1
70.91978	1.3
70.92323	2.3
71.04990	2.4
73.06576	2.5
79.05492	3.3
81.03431	1.6
81.07063	10.9
83.04985	1.6
83.08604	2.7
85.02892	2.7
85.06546	1.2
87.04457	4.8
89.06029	89.7
90.96987	0.9
91.05449	1.3
93.07059	2.0
95.08595	8.9
96.59252	1.0
97.02846	1.5
105.07038	1.8
107.04948	2.1
107.07069	6.1
107.08605	1.3
109.02915	1.2
109.10155	2.4
111.11720	32.7
117.06979	1.2
119.08597	1.5
121.10142	1.6
123.04430	2.5
127.03918	1.1
129.12825	1.0
130.08644	3.1
131.07024	1.7
133.08598	50.8
137.13264	2.3
139.03911	1.3
145.10104	1.6
151.09554	1.3
153.01823	2.2
155.14336	1.0
159.11726	1.3
165.05438	1.6
167.07184	1.2
177.11217	23.7
195.12340	2.8
199.16954	3.2
221.13815	2.4
231.13910	2.2
239.14874	3.5
243.19597	5.0
246.61848	1.0
249.20781	1.4
256.66086	1.1
267.19482	1.2
276.12259	1.0
283.17499	36.6
284.17822	1.1
349.25912	1.8
393.28458	71.0
394.28766	3.7
403.21533	0.9
411.29434	3.3
428.17526	2.5
428.23584	2.9
429.24533	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3931
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
55.05501	16.4
57.07072	7.8
58.86926	4.5
58.87223	4.3
67.05502	36.7
69.07066	42.9
70.63409	4.7
71.05004	9.1
71.13621	4.0
71.59948	7.2
79.05489	12.4
81.07061	53.2
83.08612	14.6
84.69717	4.0
85.06537	73.7
91.05479	7.0
93.07027	31.5
95.08602	93.0
97.10186	9.4
99.08115	4.4
105.07018	14.9
107.08575	42.6
109.10146	100.0
111.08083	4.8
111.11713	13.6
113.09608	5.4
119.08559	13.7
121.10115	35.7
123.11685	28.9
133.10159	11.1
135.11668	30.3
137.13252	16.7
147.11662	9.4
149.13234	16.5
161.13249	12.7
163.14801	13.0
175.14743	4.9
177.16394	13.7
189.16400	4.5
191.17998	10.9
199.64172	4.2
203.18008	7.8
205.19485	26.3
217.19519	13.0
221.19002	13.6
235.20645	8.2
243.47519	4.3
266.65359	5.1
291.00009	4.6
313.28760	6.8
392.69058	4.6
420.73312	4.5
427.39453	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	427.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41360	0.7
55.05500	1.2
56.05019	0.8
57.07066	1.4
67.05496	1.4
69.07063	9.2
69.59389	6.6
73.06554	1.9
79.05479	1.6
81.07051	2.7
83.04974	0.8
83.08598	0.9
86.09698	100.0
91.05500	0.9
93.07027	2.3
93.38457	0.7
95.08596	3.4
101.64558	0.7
105.07023	2.0
107.08591	2.7
109.10184	1.9
112.07595	1.2
119.08576	2.2
121.10133	2.2
123.11712	1.0
133.10146	2.1
149.13297	1.7
163.14877	1.1
168.13852	1.3
170.13998	0.9
171.11688	0.8
177.16400	1.2
177.70782	0.8
186.14874	70.6
187.15091	1.7
197.13342	1.0
203.12872	1.1
203.17961	1.0
214.14386	29.5
215.14656	0.9
314.19589	13.6
315.20108	1.2
399.28510	10.0
427.27997	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.05502	11.1
57.03423	2.1
57.07063	4.6
65.03928	3.0
67.05495	15.4
69.03434	2.0
69.07062	25.1
69.34091	8.3
69.34514	8.0
71.04960	1.6
71.08627	1.6
79.05482	16.1
81.03406	1.8
81.07047	46.7
82.25744	1.5
82.49497	1.7
83.08607	11.0
85.06528	1.6
87.04481	2.9
91.05469	13.0
93.07038	53.0
95.04965	3.7
95.08602	58.8
97.06535	3.2
97.10177	5.3
105.07017	24.6
107.08588	72.8
109.10141	27.4
111.08071	3.5
117.07042	3.6
119.08569	25.8
119.09344	2.0
121.06492	1.8
121.10135	54.6
123.08072	4.6
123.11702	12.1
125.09620	3.8
131.08569	8.6
133.10121	27.3
135.11665	16.9
137.09601	2.0
137.13332	2.3
143.08571	3.2
145.10123	16.7
147.11684	15.3
149.09604	3.4
149.13249	89.4
150.13666	2.1
154.00780	1.5
157.10135	4.6
159.11687	17.8
161.13307	5.7
163.14809	75.7
165.12811	4.9
169.10088	1.7
171.11722	3.8
173.13251	13.3
174.13623	1.9
175.14838	10.0
177.12840	2.5
177.16374	88.6
178.16695	2.8
179.14456	2.1
183.11711	2.4
185.13234	3.4
187.14801	20.8
187.16222	2.1
189.16365	26.4
191.10831	1.8
191.17920	11.6
193.15967	2.3
199.14836	3.7
201.16368	9.3
203.14346	1.9
203.17924	9.5
205.15907	2.1
205.19543	3.0
206.90610	1.7
207.17422	3.8
213.16428	6.3
215.17917	19.9
217.15842	2.1
217.19542	3.6
219.17482	2.1
227.18007	2.3
229.19630	3.2
231.17526	5.3
233.19016	10.2
235.16939	2.4
241.19473	2.6
243.21318	2.2
247.20596	2.0
251.20090	10.0
265.21796	1.9
271.50876	1.7
351.30524	2.1
391.33633	12.6
409.34601	13.7
413.21451	1.7
427.19858	2.4
427.35873	100.0
428.36432	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	427.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02457	1.9
53.03929	4.9
54.61784	1.8
55.01864	9.7
55.05508	95.2
57.03434	16.4
59.04988	4.0
67.05502	34.4
69.03423	12.8
69.06767	2.2
69.07067	22.1
69.36353	1.8
71.04974	9.3
71.59126	2.0
71.59589	2.5
73.02902	2.1
73.61598	1.9
79.05489	61.5
79.27040	2.0
81.03414	90.8
81.07053	53.2
83.04982	22.7
83.08614	53.1
85.02893	31.8
85.06561	4.6
86.09727	1.8
91.05482	38.1
93.07037	24.1
95.04958	38.8
95.08594	16.8
97.02888	4.9
97.06535	5.7
97.10169	52.1
99.04417	3.1
103.15472	1.9
105.07028	37.2
106.34457	1.9
107.04927	8.3
107.08593	36.5
109.06523	11.0
109.10148	8.7
111.04429	4.5
111.08055	18.0
113.06017	3.2
115.05456	2.6
117.07056	2.2
119.08588	25.5
121.06492	4.4
121.10144	15.5
123.04419	2.9
123.08070	5.7
123.11713	4.3
125.09625	39.4
129.06985	11.3
131.04877	2.1
131.08553	14.0
133.06505	5.6
133.10159	11.6
135.11671	2.8
137.09587	3.0
139.03860	2.3
142.07813	4.4
143.10674	9.7
145.10114	5.9
147.08022	4.3
147.11679	26.2
149.09625	8.7
155.08670	2.7
157.10126	19.0
159.11670	2.5
163.11166	2.2
165.12778	3.3
175.11131	17.1
184.54416	2.3
193.12239	94.5
194.12611	2.4
199.13264	24.1
199.14769	2.6
203.12790	3.3
211.11298	4.8
211.13287	75.2
211.15277	4.1
212.13657	2.9
217.14313	35.0
247.20576	2.5
249.14937	3.0
267.15881	49.0
285.16919	21.5
317.21173	7.4
335.22241	13.0
409.25827	50.4
410.26337	4.4
427.26938	100.0
428.27316	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	427.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.01860	2.4
55.05507	14.1
57.03442	4.1
57.07054	1.2
57.09302	0.7
58.76342	0.9
59.04995	3.7
61.02922	4.8
67.05485	3.3
69.03075	1.4
69.03429	18.0
69.07063	6.6
70.78304	2.7
71.04987	2.7
73.02913	2.9
79.05478	3.5
81.03405	7.0
81.07051	6.9
81.62379	0.9
83.04980	18.1
83.08609	1.8
85.02900	40.9
85.06521	2.0
86.09695	2.8
87.04464	3.1
91.03951	1.7
91.05474	5.4
93.07043	7.7
95.04968	21.8
95.08591	7.6
97.02889	12.9
97.06516	0.9
97.10149	1.1
99.04454	2.6
101.06006	12.0
101.89603	1.0
105.07018	7.4
107.04948	3.4
107.08585	9.9
109.02892	4.3
109.06503	11.2
109.10146	8.8
111.04441	1.1
117.07047	1.7
117.54499	0.7
119.04935	2.6
119.08567	5.9
121.06508	3.9
121.10138	8.0
123.04437	2.6
123.08039	2.4
123.11697	3.9
125.05994	1.1
127.03910	8.1
127.07565	1.0
129.06938	0.9
130.07809	0.8
131.08516	5.2
133.10127	3.7
135.08054	8.3
135.11676	7.1
137.09599	2.7
137.13251	1.0
139.03862	3.2
143.08583	2.4
145.04950	4.4
145.10136	8.5
146.06062	0.9
147.04410	0.9
147.08051	1.9
147.11674	7.6
149.09576	4.4
149.13162	0.8
151.03888	1.8
153.01727	1.8
159.08035	3.0
159.11707	3.7
161.09645	2.5
161.13261	1.7
163.03842	1.6
163.11134	5.0
165.12743	59.1
166.13043	0.9
171.11737	2.3
173.09624	2.3
173.13292	1.5
175.14781	1.0
177.09105	4.6
179.10693	0.9
185.13248	1.0
187.14813	3.7
189.12732	3.5
191.10680	5.2
200.36784	0.9
201.16393	2.0
203.12607	1.2
203.21736	0.8
205.15855	7.4
211.14546	1.0
219.17480	2.3
229.15854	3.7
235.16934	1.3
247.14870	0.6
247.16928	36.6
265.14584	5.3
265.17966	100.0
266.18307	1.1
266.95963	1.3
275.05667	0.9
371.20609	1.1
409.22137	1.0
427.18225	4.9
427.23206	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	427.1937
Annotation	Phe Phe Asn
Peak:m/z	Relative Intensity
58.45642	0.6
67.05518	0.6
69.03445	0.9
70.06585	1.3
70.66285	1.9
76.38471	0.6
79.05431	0.6
85.02911	1.2
91.05503	0.8
97.02870	0.8
98.20853	0.6
98.97585	0.8
99.04453	2.0
105.07059	1.0
105.32016	0.7
107.08621	0.7
116.36353	0.5
119.08556	0.8
123.28321	0.6
124.07619	0.6
137.17590	0.5
139.03902	1.3
153.01831	0.7
163.11246	0.9
167.10667	0.9
191.03357	0.6
203.05392	0.6
207.09981	2.0
247.10698	1.0
247.12997	5.9
247.16910	1.1
265.14047	1.3
275.05606	0.8
287.05606	1.0
302.84842	0.6
325.13254	0.9
409.09033	0.7
427.19418	100.0
428.19638	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	427.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.01860	2.4
55.05507	14.1
57.03442	4.1
57.07054	1.2
57.09302	0.7
58.76342	0.9
59.04995	3.7
61.02922	4.8
67.05485	3.3
69.03075	1.4
69.03429	18.0
69.07063	6.6
70.78304	2.7
71.04987	2.7
73.02913	2.9
79.05478	3.5
81.03405	7.0
81.07051	6.9
81.62379	0.9
83.04980	18.1
83.08609	1.8
85.02900	40.9
85.06521	2.0
86.09695	2.8
87.04464	3.1
91.03951	1.7
91.05474	5.4
93.07043	7.7
95.04968	21.8
95.08591	7.6
97.02889	12.9
97.06516	0.9
97.10149	1.1
99.04454	2.6
101.06006	12.0
101.89603	1.0
105.07018	7.4
107.04948	3.4
107.08585	9.9
109.02892	4.3
109.06503	11.2
109.10146	8.8
111.04441	1.1
117.07047	1.7
117.54499	0.7
119.04935	2.6
119.08567	5.9
121.06508	3.9
121.10138	8.0
123.04437	2.6
123.08039	2.4
123.11697	3.9
125.05994	1.1
127.03910	8.1
127.07565	1.0
129.06938	0.9
130.07809	0.8
131.08516	5.2
133.10127	3.7
135.08054	8.3
135.11676	7.1
137.09599	2.7
137.13251	1.0
139.03862	3.2
143.08583	2.4
145.04950	4.4
145.10136	8.5
146.06062	0.9
147.04410	0.9
147.08051	1.9
147.11674	7.6
149.09576	4.4
149.13162	0.8
151.03888	1.8
153.01727	1.8
159.08035	3.0
159.11707	3.7
161.09645	2.5
161.13261	1.7
163.03842	1.6
163.11134	5.0
165.12743	59.1
166.13043	0.9
171.11737	2.3
173.09624	2.3
173.13292	1.5
175.14781	1.0
177.09105	4.6
179.10693	0.9
185.13248	1.0
187.14813	3.7
189.12732	3.5
191.10680	5.2
200.36784	0.9
201.16393	2.0
203.12607	1.2
203.21736	0.8
205.15855	7.4
211.14546	1.0
219.17480	2.3
229.15854	3.7
235.16934	1.3
247.14870	0.6
247.16928	36.6
265.14584	5.3
265.17966	100.0
266.18307	1.1
266.95963	1.3
275.05667	0.9
371.20609	1.1
409.22137	1.0
427.18225	4.9
427.23206	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	427.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01861	2.2
61.30563	0.6
65.03928	0.8
66.97337	0.6
67.05503	1.1
68.99795	4.0
69.03442	0.6
77.59079	0.6
91.05470	0.8
95.04959	1.5
97.02907	0.9
98.91280	0.5
105.03392	1.1
107.04945	1.7
109.02866	0.7
111.00800	2.9
111.04430	2.0
119.04923	1.0
119.25552	0.6
119.26411	0.6
121.02866	1.8
123.04420	35.0
124.04674	1.0
127.03913	2.5
131.04988	0.6
135.04410	9.5
137.06004	1.2
139.03889	65.8
140.04242	1.9
141.01817	1.1
141.07025	0.6
147.04401	3.9
149.02328	1.2
149.05977	0.7
150.07768	3.7
151.03862	4.4
153.01826	2.2
153.06892	1.1
159.04385	0.6
159.89789	0.7
163.03889	12.3
165.05482	2.9
167.03389	7.7
169.06607	0.6
172.43130	0.6
173.06013	1.0
175.03911	5.2
177.05444	3.7
178.00674	0.6
179.03384	6.1
181.04968	1.0
181.06441	0.8
185.04300	0.7
185.05936	1.1
187.03918	2.4
189.05518	3.8
191.01649	1.2
191.03378	19.2
193.04916	6.3
197.06108	0.6
201.05446	5.9
203.03383	12.1
205.05011	3.1
213.05487	2.1
215.03365	1.2
217.04965	2.8
229.04916	8.3
230.05467	0.8
231.06502	1.3
233.04425	9.5
234.04980	0.6
241.04991	2.1
245.04446	8.6
247.06000	12.2
247.14484	0.9
248.06215	0.7
249.03729	1.0
251.05453	4.0
255.06552	2.6
257.04425	17.6
258.05002	1.6
259.06067	6.6
264.06128	4.0
265.06839	7.3
265.15198	0.6
269.04449	1.7
271.06036	3.6
275.05481	30.5
276.05740	1.0
283.05975	10.3
287.05484	44.2
288.02783	0.6
288.05914	2.6
289.07104	0.9
299.05386	3.0
301.07050	12.1
325.07056	0.8
367.08185	0.8
408.91101	0.7
409.09167	21.8
410.09372	1.6
427.12094	100.0
428.12378	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.3
55.01860	0.8
57.04545	0.6
63.91470	0.3
68.99783	1.6
70.78471	0.3
70.78800	0.6
83.04945	0.3
85.02889	0.4
86.09670	0.3
92.32661	0.2
94.04039	1.2
95.04981	0.5
96.10843	0.2
103.64687	0.3
105.03429	0.4
107.04975	0.5
108.04385	0.3
111.00774	0.8
111.04420	0.8
113.07116	0.3
119.04970	0.3
121.02871	0.3
123.04419	11.6
123.06690	0.9
124.04694	0.4
127.03864	0.7
133.05083	0.5
135.04411	3.1
135.30301	0.3
137.02327	0.5
137.06027	0.3
139.03891	20.6
147.04407	0.9
149.06017	0.4
150.07739	100.0
151.03871	1.0
151.08043	0.8
153.01781	0.8
161.05995	0.5
163.03882	4.2
165.01842	0.3
165.05472	1.0
167.03413	2.7
173.05894	0.3
175.03908	1.5
175.07426	0.3
177.05423	1.5
179.03412	2.2
181.06398	0.4
185.06044	0.5
187.03899	0.8
189.05438	0.9
191.03389	6.4
193.05008	2.3
201.05446	2.0
203.03394	4.3
205.04996	0.8
213.05446	0.8
215.03506	0.3
217.05023	0.8
229.04947	3.1
231.06483	0.4
233.04457	3.0
241.04967	0.5
245.04430	2.7
247.06006	3.5
251.05513	1.1
255.06493	0.6
257.04465	5.5
258.04938	0.6
259.05984	1.9
269.04361	0.7
271.06000	0.8
275.05481	9.3
276.05804	0.3
282.11981	0.8
283.06021	3.4
284.06403	0.4
287.05487	13.6
288.05875	0.4
289.07443	0.3
295.11481	22.1
296.11835	0.5
299.05527	1.2
301.07004	3.1
391.07764	0.3
409.09146	5.9
410.09421	0.5
427.11633	2.1
427.19250	8.8
428.20032	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73557	0.5
60.06617	0.5
68.99770	0.7
70.01215	3.1
75.25989	0.6
98.21236	1.3
113.02351	1.9
123.04420	7.0
127.03922	1.8
135.04408	1.3
139.03902	12.9
147.04446	0.6
148.71519	0.5
151.03865	0.8
153.01801	6.7
157.85506	0.5
163.03891	2.8
167.03418	2.0
171.02950	1.0
173.05894	0.6
175.03865	1.5
177.05563	0.7
179.03357	1.6
185.04237	0.9
191.03372	4.4
193.04997	1.3
201.05450	0.7
203.03423	2.3
205.04872	1.0
229.04817	1.2
233.04457	2.0
245.04570	1.5
247.06102	2.2
249.03722	2.2
251.05556	1.0
257.04425	2.9
259.06079	1.4
264.06067	6.2
265.06830	10.2
275.05481	3.8
283.05966	1.7
287.05472	8.0
293.01703	0.6
297.06067	0.7
299.05356	0.7
301.07126	1.7
409.09073	2.7
427.12103	100.0
428.12476	5.5
434.83319	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1024
Annotation	Epiafzelechin 3-O-gallate
Peak:m/z	Relative Intensity
51.02382	0.5
53.03937	0.5
55.01862	0.8
57.72376	0.4
65.03944	0.6
67.05506	0.5
68.99784	1.4
69.03416	0.9
70.54718	1.2
79.01850	1.9
79.05485	1.0
83.04971	0.8
86.09705	7.9
91.05480	0.9
95.04955	1.5
97.02877	0.9
103.05479	0.4
107.04955	100.0
108.05289	0.8
109.43443	0.4
110.07162	3.2
111.04432	3.2
113.13338	0.4
118.06537	0.8
119.04948	0.5
121.06530	1.1
123.04436	2.1
123.05216	0.4
125.02328	1.5
127.03912	0.6
129.28552	0.5
131.04927	0.8
136.05043	0.5
136.07631	0.6
139.03900	76.3
140.04204	0.4
143.03404	3.8
145.06485	1.4
146.05981	0.9
149.05980	5.2
151.03894	3.7
153.01831	31.2
154.02167	0.5
163.03853	0.5
163.07469	0.5
164.74596	0.4
191.06979	1.1
201.03677	0.9
211.56230	0.5
239.07164	0.5
249.14711	0.6
257.08093	2.9
275.09143	8.0
293.95831	0.4
299.11493	0.4
336.31223	0.5
411.92896	0.5
427.19382	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	427.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39880	0.5
55.01863	1.1
55.05487	0.5
55.93516	0.6
57.62934	0.5
59.41906	0.4
65.03933	0.6
67.05479	0.6
68.99783	1.7
69.03387	0.4
69.07046	0.5
70.06582	0.7
71.61356	0.7
81.07050	1.0
84.08099	0.6
85.02888	1.6
91.05466	1.2
95.04935	0.9
97.02866	0.9
99.44107	0.5
101.06033	0.7
105.03382	0.8
106.67863	0.5
107.04941	1.6
107.16780	0.4
109.02916	0.7
111.00809	1.2
111.04449	2.4
111.83358	0.5
112.04776	0.8
119.04954	0.8
121.02834	0.7
123.03561	0.9
123.04424	13.3
127.03913	1.2
131.04900	0.7
133.10078	0.8
135.04398	3.8
136.06183	4.9
137.02307	0.8
137.06508	2.1
139.03888	20.0
140.31261	0.5
142.64366	0.5
145.06554	0.6
147.04402	2.3
150.07738	8.6
151.03886	2.4
153.01826	1.7
161.06010	0.8
163.03886	5.2
165.05475	1.6
167.03404	3.8
175.03899	1.5
176.07074	1.0
177.05426	1.1
179.03387	1.9
185.04201	1.5
185.05840	0.6
187.03871	1.2
189.05441	1.2
191.03360	7.9
193.04991	1.5
201.05490	2.1
203.03339	5.0
203.07120	0.6
203.12749	0.6
205.04935	1.7
206.05725	0.5
213.05482	0.9
217.04961	1.0
222.07695	0.8
229.04922	3.7
231.06238	0.6
233.04326	3.6
245.04385	2.6
247.06079	3.8
249.03757	0.9
250.04527	1.0
251.05533	1.2
255.06676	0.7
257.04440	8.2
258.04929	0.8
259.06027	2.2
264.05988	1.6
265.06876	5.8
265.11804	0.8
269.04498	1.1
271.05988	1.1
275.05496	11.7
277.02969	0.6
283.06018	3.7
287.05493	13.9
289.07138	0.8
295.11523	2.0
299.05460	0.9
301.07053	3.0
307.96149	0.6
337.97318	1.1
342.97766	0.9
345.67758	0.5
363.69849	0.6
386.96844	0.6
409.09149	9.1
412.09836	0.5
417.20309	0.5
426.70316	0.5
427.12064	100.0
427.19086	10.5
428.12473	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.3
57.47380	0.6
60.76449	0.6
64.59606	0.6
65.03941	0.6
67.05477	0.6
68.99786	5.4
69.89475	3.6
77.03938	0.7
80.30141	0.7
81.03383	0.8
83.01374	0.6
83.04980	0.9
85.02902	1.3
88.51915	0.6
93.03379	0.6
95.04971	2.1
105.03399	1.4
107.04948	1.2
109.02882	1.1
111.00795	2.6
111.04432	2.5
119.04954	1.6
121.02847	1.0
123.04425	49.4
127.03909	3.1
135.04408	11.4
137.02354	0.8
137.05975	1.1
139.03896	100.0
141.01872	1.0
145.06471	0.9
147.04364	4.3
149.02303	1.8
149.05966	1.3
150.07738	29.0
151.03905	5.5
153.01825	2.1
153.07060	1.4
155.04787	0.7
159.04419	1.8
161.05966	1.5
163.03903	19.1
165.05473	3.5
167.03392	9.6
169.50069	0.6
173.05957	1.5
175.03879	6.8
177.05475	4.6
179.03368	9.6
181.04993	1.0
181.06494	1.7
185.06001	1.5
187.03905	3.3
189.05484	3.5
191.03394	24.6
193.04933	9.3
197.05826	0.8
201.05469	8.2
203.03394	17.5
203.07083	1.1
205.04962	3.0
213.05487	2.5
215.03438	1.7
217.04916	3.3
219.06464	1.0
227.07024	0.8
229.04944	12.0
231.06535	1.6
233.04451	10.4
237.05489	0.8
241.04958	2.1
245.04410	13.3
247.06024	16.8
247.93842	0.8
251.05605	3.1
255.06503	4.5
257.04453	19.6
258.05243	2.1
259.05978	6.6
265.03381	0.9
269.04459	2.8
271.06018	3.7
273.07642	0.9
275.05481	35.5
276.05920	1.6
283.06018	16.8
287.05490	61.9
288.05847	0.9
295.11511	7.2
299.05417	5.2
301.07065	18.9
301.10599	1.0
391.07990	1.0
409.09158	24.1
427.12000	33.7
427.19302	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	427.102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.6
53.03928	0.8
55.01877	3.7
65.03931	1.3
67.05488	1.3
68.99784	7.0
69.00166	0.6
69.03421	0.5
70.06578	1.3
71.58351	0.8
77.03923	0.7
79.05499	1.1
81.03411	1.0
83.04966	0.7
85.02888	0.7
91.05464	1.1
93.03408	0.6
95.04947	2.4
103.05443	0.6
105.03378	2.1
107.01323	0.5
107.04942	2.3
109.02882	0.6
111.00787	4.2
111.04418	3.2
113.07125	1.1
115.05437	0.7
119.04913	2.0
121.02869	3.0
123.04417	54.7
127.03896	2.9
131.04926	1.6
133.02759	0.7
133.06540	0.7
135.04408	14.4
137.02350	2.3
137.05948	2.0
139.03888	100.0
140.04279	0.5
141.01823	1.0
145.02838	0.6
145.06441	0.8
147.04390	5.2
149.02301	2.1
149.05966	1.8
150.07732	12.4
151.03882	9.0
153.01842	2.3
153.06995	1.3
155.04922	0.7
157.06419	0.6
159.04396	1.3
161.02223	0.6
161.06003	2.4
163.03905	20.2
164.04298	0.6
165.01791	0.7
165.05441	5.6
167.03387	14.0
169.06398	0.5
171.04390	0.9
173.05937	2.1
175.03903	7.8
177.02010	0.5
177.05457	7.2
179.03348	8.7
181.04916	1.6
181.06500	1.7
185.05977	2.1
187.03888	4.3
189.05434	5.3
191.03368	31.3
193.04932	8.9
197.05939	1.6
199.03798	0.8
201.05452	10.1
203.03371	22.5
203.07045	1.1
205.04980	4.7
209.05966	1.2
213.05484	4.0
215.03404	2.9
215.06979	1.0
217.04935	4.9
219.06564	0.8
225.05457	0.5
227.07034	1.0
229.04945	15.1
230.05637	0.7
231.06506	1.5
233.04433	13.7
237.05455	1.3
241.04906	3.0
245.02132	1.0
245.04445	13.2
247.06007	21.7
251.05513	5.3
253.04826	0.6
255.06445	4.6
257.04440	27.2
258.05099	2.2
259.05994	10.2
265.04782	1.1
269.04413	4.3
271.05954	5.3
273.07330	0.6
275.05475	42.7
283.05994	16.7
287.05475	64.5
288.05728	0.7
295.11484	3.5
299.05524	4.8
301.07056	18.5
325.07095	0.6
367.08304	0.9
379.08069	0.7
391.07925	1.0
409.09161	33.1
410.09286	0.7
427.11243	8.4
427.19101	9.5
428.33929	0.5
448.21497	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.4
55.05509	1.9
56.96575	1.2
57.03443	9.3
59.04999	0.7
61.02938	1.5
65.82246	0.8
67.05496	2.3
69.03425	2.5
69.79301	5.2
70.53957	0.9
71.01302	0.9
71.04993	68.2
73.02912	3.0
75.04472	4.3
81.03404	1.6
83.04987	7.7
83.08659	1.1
85.02905	100.0
86.03208	0.7
86.06113	1.0
86.09689	1.5
87.04462	2.2
91.03925	0.9
95.08619	0.9
97.02884	5.1
97.06548	0.8
98.97567	0.7
99.04445	1.1
101.22917	0.7
104.96611	0.8
109.02898	1.3
109.10165	3.1
110.06026	0.8
111.04453	7.2
111.08078	1.0
113.02372	0.8
123.04409	5.8
127.03909	5.7
129.05482	44.9
135.04390	0.7
135.08073	3.6
136.08438	1.8
139.03893	2.2
145.04961	6.5
146.08147	1.4
147.06525	25.4
153.09167	0.9
163.06032	3.4
164.09200	6.7
165.07637	1.4
173.11845	0.9
188.11540	1.0
216.10901	0.8
229.14355	6.4
233.11795	1.1
234.12082	1.7
237.07562	0.8
246.12096	1.6
246.14676	1.1
255.08684	2.7
264.13055	1.6
265.14166	1.7
273.09702	2.3
309.11801	2.4
426.17621	1.1
427.19577	6.3
436.09216	0.9
445.25803	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58166	1.4
53.03944	2.3
55.01868	3.2
55.05511	3.3
55.54001	1.8
57.03433	9.4
59.04977	2.2
61.02927	3.6
65.11160	1.4
67.05508	14.7
69.03430	8.3
69.07075	2.8
70.06586	2.4
71.04989	60.3
71.60426	2.8
72.77341	1.4
73.02908	8.4
74.99431	1.6
75.04470	1.8
78.56786	1.5
79.05515	2.4
80.53941	1.6
81.03424	3.2
81.07050	3.5
83.04967	8.8
83.08607	2.6
85.02901	100.0
86.06117	2.2
86.09708	5.7
86.13812	1.5
87.04463	2.5
91.05508	3.5
93.07008	3.5
95.08621	3.3
97.02865	12.9
97.06512	2.0
99.04463	3.3
103.03937	2.0
105.07041	2.3
107.04955	2.1
107.08586	4.0
109.02858	2.4
109.06525	1.7
109.10154	15.8
110.07137	1.8
111.04424	5.5
115.03915	3.1
119.08573	3.7
121.10155	2.2
123.04450	15.7
127.03928	8.6
129.05476	37.3
133.04979	4.0
135.04431	2.2
135.08031	8.9
136.08423	4.8
139.03860	8.6
145.04951	14.3
147.06514	19.5
147.11661	2.0
153.01834	3.7
163.03841	2.1
163.06000	4.6
163.11156	5.7
164.09184	5.4
173.11751	7.4
177.12708	1.5
188.11615	2.5
191.03326	2.0
229.14340	29.9
233.11743	3.1
234.12115	4.7
246.12151	3.9
246.14787	3.8
263.12671	3.7
264.12872	5.4
264.15863	2.2
265.14114	4.2
273.07437	3.8
275.05667	2.4
286.01282	1.7
309.11865	3.1
409.08704	1.9
426.17975	12.0
427.19720	32.9
442.14194	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	427.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84512	0.7
55.01861	2.5
65.03941	1.2
67.01850	1.0
68.99785	6.1
69.03436	0.9
70.06577	1.5
70.61192	2.1
70.61542	0.9
72.08147	1.7
77.03960	0.7
78.34534	0.7
81.03423	1.0
87.30061	0.7
91.05501	0.9
95.04940	2.7
98.20833	1.2
98.21403	1.1
105.03407	1.3
105.07027	1.0
107.04954	2.2
109.02893	1.2
111.00797	2.0
111.04443	2.5
113.80133	0.9
115.05454	1.2
119.04951	1.9
121.02878	2.8
123.04424	43.2
125.91933	0.7
127.03943	3.1
131.04942	1.0
131.06880	0.8
131.99356	0.9
132.74326	0.7
135.04416	12.4
137.02280	0.9
137.05983	1.6
139.03897	77.0
140.04204	1.0
145.06537	1.1
147.04391	3.0
149.02310	1.9
149.05998	1.3
150.07744	4.5
151.03902	7.0
153.01851	3.9
153.06970	1.6
155.04898	1.0
159.04408	1.2
161.06020	1.6
163.03899	17.4
165.05490	4.4
167.03406	11.2
167.06999	1.4
169.06491	0.9
173.05969	1.1
175.03891	7.3
177.01738	0.8
177.05473	5.6
179.03407	7.5
181.04971	1.0
181.06522	1.2
185.05995	2.1
187.03889	3.5
189.05457	4.2
191.03372	25.7
193.04962	6.7
197.05949	1.3
201.05498	7.9
203.03375	16.2
203.07057	1.0
205.04922	4.2
213.05482	2.8
215.03369	1.2
217.04977	3.0
229.04947	13.7
231.06506	1.7
233.04433	11.3
237.05524	0.9
241.04997	2.7
245.04448	9.0
247.02193	0.9
247.06036	15.2
249.03876	1.7
251.05539	3.6
255.04065	1.0
255.06337	4.4
257.04459	22.2
257.07074	1.5
258.05179	2.3
259.06009	8.3
264.06134	6.0
265.06876	10.5
269.04419	2.9
271.05966	4.5
275.05487	33.7
276.05597	1.1
283.06003	12.0
287.05487	49.3
288.05847	1.3
293.09149	0.8
299.05374	3.6
301.07080	13.0
367.08362	1.1
409.03732	1.2
409.09161	24.5
410.09360	1.4
427.12115	100.0
428.12286	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3773
Annotation	Fern 9(11)-en-12-one
Peak:m/z	Relative Intensity
50.88300	2.6
53.03950	3.3
55.05505	24.9
55.73824	2.4
57.07085	14.4
67.05492	37.4
69.03434	2.7
69.07060	64.6
69.07410	4.8
71.04974	21.3
71.08662	2.4
79.05495	18.3
81.07047	74.6
83.08604	23.1
85.06538	76.8
91.05457	17.9
93.07039	42.1
95.08602	82.4
97.06543	10.3
97.10180	11.8
98.21527	6.1
99.08094	6.9
105.07018	43.1
107.08585	57.8
109.06559	3.1
109.10155	91.1
109.10915	5.3
111.08095	5.0
111.11724	7.6
113.09673	8.7
117.07030	4.5
119.08578	46.2
121.10127	41.4
123.08129	4.0
123.10910	5.3
123.11706	43.1
125.09669	4.6
127.11161	3.9
129.07036	3.5
131.08540	17.9
133.10109	32.0
135.08083	2.9
135.11687	32.0
135.12599	3.7
137.09645	3.7
137.13278	11.0
139.11179	16.1
142.07857	2.7
143.08609	10.8
144.09430	3.4
145.10110	34.0
145.11142	3.6
147.11655	27.9
148.42615	2.5
149.09691	3.0
149.13219	20.9
150.80507	2.9
151.11185	3.6
151.14865	5.7
153.12798	3.3
157.10117	14.3
158.70465	3.3
159.11679	41.6
159.12862	3.9
161.13248	27.5
163.11261	4.5
163.14856	12.9
171.10461	2.6
171.11644	16.3
173.13261	24.0
175.14799	17.5
177.12805	4.4
177.16437	8.2
179.14377	3.9
183.11691	3.1
185.13330	9.1
187.14789	15.7
189.16461	11.7
191.14339	2.9
191.17970	11.5
193.15958	4.1
199.14880	9.2
201.16399	17.4
203.17918	19.3
205.15863	5.7
205.19615	6.5
207.17438	2.9
213.16447	8.8
215.17876	14.2
217.19511	14.5
219.17488	2.8
221.19019	3.6
225.87326	2.6
227.18030	4.2
229.19626	10.4
239.17990	3.6
241.19579	5.0
243.21217	8.1
245.19003	3.6
245.22830	2.8
247.20688	9.7
255.21243	8.1
257.22717	4.7
259.20697	9.2
269.22766	7.3
273.22244	6.6
283.24402	2.9
297.25903	7.5
311.27502	6.0
315.26752	3.5
325.29193	5.1
333.13254	2.8
339.30557	4.6
343.30200	3.5
355.30185	2.9
369.31598	5.9
378.94162	3.0
383.33447	3.3
407.37100	3.8
425.19043	3.5
425.29434	5.2
425.38031	100.0
426.38370	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	425.3775
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05501	18.8
57.07070	7.1
67.05506	32.4
69.03396	2.3
69.07064	29.8
70.78298	6.9
71.05000	2.6
75.53207	2.4
79.05482	13.2
81.06576	3.7
81.07052	67.8
83.08613	13.8
83.55914	3.0
85.06522	5.2
85.71417	2.2
91.05463	12.1
93.07044	40.1
95.04974	3.4
95.08602	100.0
97.06510	6.8
97.10153	8.3
105.07029	36.9
105.07691	4.2
107.08585	64.3
109.06538	3.9
109.10147	82.8
111.11696	4.7
111.78176	2.1
117.06981	4.4
119.08568	37.6
119.10975	2.0
121.09320	3.6
121.10142	53.9
123.08026	3.7
123.11704	38.5
125.09644	11.0
127.11168	2.4
129.07019	2.1
131.08577	6.9
133.10117	29.7
135.11678	48.6
137.13258	23.0
145.10106	15.7
147.11670	34.7
149.13266	32.5
151.14876	2.5
157.10080	2.9
159.11658	17.9
161.13254	27.7
163.14809	17.6
165.12619	3.4
171.11635	4.2
173.13243	8.9
175.14801	11.5
177.16328	10.7
179.14354	7.2
179.17931	2.5
185.13251	2.3
187.14801	8.3
189.09245	2.2
189.16354	23.5
191.17938	42.3
199.14769	2.9
201.16383	14.2
203.17978	30.2
205.19489	13.5
207.17461	9.4
207.19228	2.2
215.17928	10.5
217.19498	37.2
227.17961	4.2
229.19537	3.5
231.20934	3.8
233.18970	6.0
235.20581	4.2
243.21196	4.2
245.22661	7.4
255.21040	2.5
257.22549	5.3
269.22641	4.0
271.24286	3.2
273.97281	2.4
311.27081	3.6
407.37045	18.4
425.38043	62.8
426.38327	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	425.3776
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
67.05484	14.8
68.76222	5.0
69.07055	18.7
70.30535	5.5
70.51428	6.1
71.59560	8.4
71.59931	6.8
75.78361	5.6
79.05481	8.9
81.07057	33.6
91.05470	8.1
93.07037	17.4
95.08604	62.9
97.10120	6.9
105.07022	14.7
107.08596	33.9
109.10164	54.7
119.08533	13.1
121.10156	32.1
123.11674	26.8
133.10109	15.6
135.11691	26.7
137.13274	10.8
145.10114	9.4
147.11688	12.9
149.13254	15.2
159.11674	7.6
161.13313	15.7
163.14809	19.1
175.14778	9.2
177.16402	10.4
189.16367	21.0
191.17975	15.2
201.16393	7.3
203.17973	13.5
205.19505	19.5
215.17967	11.2
217.19458	12.7
245.22697	13.5
247.20674	13.3
264.32709	5.8
407.36642	22.4
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	425.3775
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03930	1.6
55.01861	1.6
55.05503	18.1
57.07072	9.0
59.04988	2.0
65.03947	1.7
67.05498	34.2
69.07063	57.6
70.94306	1.5
70.94652	2.6
71.04984	2.4
71.08615	2.7
75.86945	1.0
79.05486	23.4
81.03435	1.1
81.07051	98.8
82.07379	1.7
83.04952	2.2
83.08620	17.9
83.42206	1.0
85.06539	2.8
86.09702	1.1
89.68654	1.0
91.05466	15.7
93.07037	47.0
95.04953	3.9
95.08601	100.0
96.08942	1.8
97.06524	4.1
97.10152	9.5
99.08103	1.7
102.00777	1.1
105.07024	31.4
107.08587	63.3
109.06503	3.1
109.10149	79.0
111.08057	3.9
111.11710	20.8
117.07027	2.4
119.07705	1.0
119.08569	35.1
121.10133	47.3
123.08060	4.0
123.10809	2.2
123.11698	36.5
125.09612	4.0
127.11177	3.0
129.06938	1.4
131.08554	9.6
133.10120	25.5
135.08084	1.4
135.11681	41.5
137.09637	6.0
137.13240	23.1
138.40155	1.0
139.11127	3.0
143.08559	3.3
144.09306	1.4
145.10100	17.9
147.11697	27.8
149.09610	1.0
149.13248	34.3
149.69246	1.1
151.11200	8.6
151.14784	5.2
154.27261	1.1
157.10133	5.0
159.11687	17.0
161.13242	20.9
163.11156	1.5
163.14813	23.5
165.12746	4.3
171.11650	6.2
173.12167	1.3
173.13283	12.9
175.14839	19.7
177.14966	2.1
177.16379	24.3
179.17906	2.5
184.07411	2.8
184.09030	1.1
185.13269	3.8
187.14803	12.3
189.16365	14.9
191.17920	15.8
193.15881	3.5
195.17444	7.4
197.13141	1.2
199.14725	4.1
201.16367	11.3
203.17955	15.5
205.15886	2.7
205.19604	6.5
207.17485	2.6
209.19044	1.9
213.16325	5.9
215.17949	10.2
217.19463	14.9
219.17450	2.4
219.21053	2.4
227.17906	4.4
229.19611	9.1
231.21080	8.6
233.18994	9.2
241.19646	2.8
243.21094	5.7
245.22662	3.6
247.20593	2.4
253.19232	1.1
255.21027	3.6
257.22568	7.0
259.24179	7.3
261.21954	1.4
269.22568	2.9
271.24118	6.1
273.22302	1.7
275.23770	2.0
283.24249	4.6
285.25790	2.5
287.23840	2.2
297.25793	3.2
301.25241	2.7
303.27036	1.3
311.27304	1.7
325.28787	6.1
329.28445	1.6
337.28845	1.7
343.29962	4.2
351.30435	3.1
352.01712	1.2
365.32324	1.4
366.49112	1.3
369.31418	2.8
407.36835	25.6
408.37054	1.6
425.38074	83.9
426.37985	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3776
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03949	1.7
55.05504	9.0
56.01903	1.4
57.03428	1.5
57.07066	4.0
64.64671	1.6
67.05501	22.6
69.07066	24.9
70.89152	3.1
70.89519	3.2
71.08618	1.5
79.05465	9.6
81.07054	40.2
83.04964	1.5
83.08609	9.6
91.05471	6.3
93.07050	22.3
95.04943	2.8
95.08603	77.2
96.08981	1.7
97.06514	2.2
97.10146	7.1
98.74084	1.4
105.07039	15.9
107.08588	49.3
108.08931	1.7
109.10152	77.8
111.08069	4.5
111.11730	10.2
117.07005	2.4
119.08578	26.5
120.31312	1.7
121.10141	43.1
123.08047	2.2
123.11707	28.3
123.43976	1.6
125.13230	1.8
131.08568	4.9
133.10136	25.2
135.11687	34.6
137.13269	16.5
143.08531	2.2
145.10123	11.4
147.11684	19.9
149.13264	18.4
151.14864	2.8
153.12755	2.8
157.10129	1.8
159.11674	9.1
161.13257	16.6
163.14821	13.6
171.11636	2.4
173.13229	10.0
175.14810	9.5
177.16411	15.5
179.17969	2.3
184.07321	2.2
185.13242	2.6
187.14803	9.1
189.16365	16.9
191.17920	11.3
199.14890	3.0
201.16365	11.0
203.17960	17.8
205.15849	2.2
205.19507	16.2
207.17422	7.0
213.16408	2.5
215.17952	9.8
217.19456	13.2
219.17462	3.5
219.21024	2.7
221.18874	2.4
227.17966	4.2
229.19475	7.9
231.21031	7.2
233.18979	4.7
243.21030	9.2
245.22699	11.3
255.20979	3.2
257.22571	6.5
259.24231	3.0
261.22180	4.6
269.22687	7.8
271.24121	9.0
273.25684	1.9
280.72662	1.8
283.24167	2.8
285.25726	3.0
287.23767	2.5
297.25772	4.8
299.27332	2.0
315.26709	2.0
329.28305	1.9
337.28860	1.9
407.36713	41.9
408.37048	2.7
425.37759	100.0
426.38242	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	425.3775
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05508	4.0
57.07071	2.2
57.34509	1.4
57.92099	1.4
58.34720	1.2
67.05499	11.1
68.74549	1.2
69.07067	14.0
71.34338	2.8
72.79916	1.5
77.03882	1.3
79.05496	4.4
81.07059	27.2
83.08614	5.2
91.05461	3.1
91.86327	1.7
93.07052	12.8
95.08601	55.1
97.06479	1.7
97.10169	3.8
101.90448	1.5
105.07016	8.4
107.08585	25.2
109.10149	40.2
111.08091	3.2
111.11706	5.2
118.26338	1.4
119.08591	16.2
121.10144	27.3
123.11707	19.0
131.08611	2.3
133.10109	12.9
135.11687	19.7
137.13263	11.1
145.10110	4.3
147.11676	12.9
149.13271	12.6
154.09912	1.6
155.83827	1.5
156.86775	1.6
159.11705	5.2
161.13284	10.5
163.14839	12.0
165.12729	1.7
173.13220	4.7
173.59680	1.6
175.14786	7.7
177.16383	8.6
179.14337	4.7
187.14813	4.5
189.16345	13.8
191.17920	17.8
201.16403	7.6
203.18056	11.7
205.19510	11.0
205.39095	1.5
207.17445	5.3
215.17921	9.0
217.19476	9.8
219.21111	2.8
227.18044	2.3
229.19484	7.1
231.21042	4.9
233.19115	2.6
243.21060	6.9
245.22600	16.3
247.20546	10.8
255.21046	1.7
257.22601	3.6
259.24161	2.0
261.22147	5.2
269.22574	4.1
271.24200	5.8
273.25662	1.7
283.24304	2.3
285.25781	4.0
287.23819	2.0
311.27435	2.2
315.26791	2.7
407.36743	23.3
425.37775	100.0
426.38135	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3775
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
54.43764	2.7
55.05499	20.3
57.07073	5.9
67.05502	41.8
69.07065	56.5
70.21075	8.6
70.21494	6.8
77.16337	2.7
79.05492	25.2
80.45103	2.5
81.07050	100.0
83.04932	3.7
83.08625	21.0
83.65181	3.6
91.05482	20.6
93.07040	51.4
95.08599	99.7
97.06528	3.4
97.10165	16.7
98.21365	3.9
105.07029	43.6
107.08582	72.0
108.08870	3.2
109.06508	5.8
109.10150	83.5
111.08001	4.2
111.11709	5.7
114.56946	2.8
117.06973	3.8
119.08586	55.6
121.10138	64.3
123.11708	40.3
125.09605	9.2
127.11216	5.5
131.08582	9.9
132.95110	2.8
133.10123	31.4
135.11691	47.2
137.09615	5.6
137.13260	15.2
139.11203	4.2
143.08580	3.1
145.10129	19.2
147.11679	59.8
148.79214	2.9
149.13252	29.4
157.10098	4.4
159.11673	17.0
161.13234	25.9
163.14758	21.9
165.12733	4.3
171.11581	3.9
173.13261	14.9
175.14819	21.7
177.12706	3.4
177.16353	19.3
179.17979	6.6
185.13301	4.9
187.14848	12.8
189.16406	18.7
191.17949	11.3
199.14816	6.7
201.16412	12.4
203.17941	29.7
205.15871	3.2
205.19600	3.6
207.17528	6.7
213.16391	4.5
214.94879	3.2
215.17964	12.7
217.19496	15.5
227.17981	3.8
229.19519	12.5
231.21039	10.3
243.21101	8.2
255.20966	4.7
257.22614	5.4
269.22635	5.5
271.24106	5.8
271.67514	3.2
283.24237	5.4
285.25702	4.9
297.25937	3.0
316.57709	3.1
325.28842	28.0
343.29816	28.5
351.30640	3.8
367.33536	2.9
369.31720	3.8
407.32416	3.3
407.36810	35.1
409.58475	2.9
425.37958	90.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3777
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05502	16.9
57.07069	5.6
59.06127	5.5
67.05210	3.9
67.05508	34.8
69.06777	4.0
69.07062	45.7
69.65366	4.2
71.11703	8.8
79.05497	23.5
81.06596	5.6
81.07059	100.0
83.08598	15.7
91.05467	18.7
93.07043	45.1
95.08604	96.9
97.06516	4.7
97.10145	8.0
105.07030	29.2
107.08598	51.6
109.10153	74.0
111.11690	14.7
119.08572	36.3
121.10138	40.8
123.11715	32.6
125.55515	4.0
127.11251	4.8
131.08534	11.8
133.10085	29.6
135.11693	42.9
137.13211	20.3
145.10126	18.2
147.11671	26.2
149.13254	37.5
157.10135	6.9
159.11708	16.4
161.13223	17.3
163.14832	21.4
171.11687	5.1
173.13191	8.6
175.14853	28.3
177.16383	19.9
183.15378	4.5
185.13290	4.9
187.14809	9.9
189.16318	16.7
191.17934	14.1
201.16385	12.8
203.17920	9.1
205.19518	9.3
215.17935	14.8
217.19519	9.0
219.17390	6.3
229.19431	6.3
231.21060	5.4
233.19090	9.3
271.24197	8.0
407.36749	35.9
425.37997	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3776
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05508	24.9
57.07072	8.1
60.53018	2.9
67.05497	46.2
69.03430	6.0
69.07065	53.2
69.34703	4.9
69.35113	26.5
73.25616	2.7
79.05486	22.7
79.67342	2.8
81.06576	5.3
81.07056	95.8
83.04988	5.1
83.08606	26.8
85.06519	4.4
91.05458	17.4
93.07043	67.3
95.04963	6.2
95.08604	100.0
97.10153	11.4
98.21465	4.7
105.07024	44.9
107.04970	3.1
107.08587	76.0
107.09295	4.9
109.06509	4.0
109.10154	77.0
111.08090	5.8
111.11729	16.6
115.35947	2.9
117.07027	4.0
119.08582	44.3
121.09306	5.7
121.10143	62.8
123.08102	4.2
123.11719	34.7
125.09633	10.4
131.08568	11.7
133.10126	37.3
135.11697	42.2
137.09610	5.3
137.13234	18.3
145.10127	15.8
147.11690	37.3
149.09720	3.9
149.13269	39.5
151.14894	5.3
157.10129	5.4
159.11713	19.2
161.13234	28.3
163.14836	21.4
165.09154	6.7
171.11681	5.8
173.13243	19.8
175.14798	33.2
177.16425	21.3
185.13316	6.0
187.14745	13.9
189.16373	18.0
191.17969	15.7
193.15950	4.5
195.17520	8.7
199.14804	3.9
201.16383	16.3
203.16310	3.2
203.17876	19.1
205.19499	4.4
213.16354	4.6
215.17938	11.8
217.19551	13.4
221.15425	4.5
227.17964	7.7
229.19522	8.8
231.21080	6.9
240.54034	3.2
241.19647	5.0
243.21100	5.5
245.22591	5.3
257.22629	5.7
259.24213	9.3
269.22540	4.6
271.24249	7.1
283.24478	2.9
285.25833	6.3
369.31332	3.3
407.36758	24.0
425.38263	81.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05944	2.2
51.85606	2.4
55.05489	5.8
57.03405	3.2
57.07070	2.7
67.05492	7.4
69.07062	15.0
69.07365	2.3
71.08604	2.8
71.60732	3.6
79.05505	5.4
81.07045	16.8
83.08624	6.3
85.06543	3.3
91.05459	2.4
93.07027	10.4
95.08599	22.9
97.06537	2.5
97.10122	3.8
105.06998	3.1
107.08589	20.1
109.06499	4.0
109.10148	10.8
119.08549	8.3
121.10136	11.7
121.44388	2.4
123.08045	10.8
123.11738	5.2
133.10120	5.0
135.11697	5.1
137.09680	2.5
144.47395	2.7
149.13249	4.4
154.22028	2.3
161.13235	2.8
167.14285	4.1
173.13235	2.3
173.93353	2.5
175.14824	3.0
177.16286	2.6
179.14325	13.5
179.20900	2.4
188.33672	2.5
203.18114	2.5
263.05075	3.2
277.21484	4.9
300.34528	2.5
324.86612	2.6
333.27829	54.2
351.28955	10.3
407.31845	3.2
425.32639	100.0
426.33038	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	425.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48076	3.8
55.05499	11.3
56.74249	4.0
57.07078	4.7
63.68421	3.5
67.05500	20.5
69.07064	36.2
70.07990	4.9
70.08393	11.5
71.08629	3.6
73.72807	3.1
74.18855	3.2
75.26597	3.4
79.05485	13.3
81.07051	37.5
83.08601	7.7
84.81414	3.1
85.06531	6.3
87.04475	4.4
91.05470	12.1
93.07053	19.0
95.08603	89.8
97.10123	6.3
105.07025	24.0
107.08594	35.8
108.58633	3.3
109.10158	43.9
111.08088	4.0
111.11707	12.5
119.08572	59.4
121.10143	24.2
123.08060	9.0
123.11678	10.4
124.08734	3.4
129.06975	4.8
131.08565	17.7
133.10129	25.0
135.11682	11.9
137.13237	14.7
143.08574	17.5
144.09276	7.0
145.10126	56.4
147.11681	11.4
149.13251	8.1
151.14764	4.5
155.10712	4.5
156.09293	5.5
157.10088	21.9
159.11684	65.8
161.13245	10.9
163.14803	9.1
169.10115	3.8
171.11702	48.2
173.13234	14.1
175.11122	5.0
175.14838	7.1
177.16348	4.0
179.14264	4.5
185.13318	20.8
187.14729	10.5
191.17926	9.8
197.15381	4.9
199.14790	13.9
201.16440	7.2
203.17908	7.2
211.14764	3.5
213.16383	11.6
215.17891	11.8
217.19476	12.7
227.17949	10.9
229.19510	26.6
243.21025	8.0
309.25726	7.7
323.27316	100.0
324.28052	36.2
360.87555	4.2
365.19345	5.8
407.28592	4.8
407.32971	11.0
425.21741	25.8
425.34140	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	425.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44274	0.6
70.12811	3.0
70.13104	0.9
71.60896	0.5
74.25809	0.5
82.99416	0.7
82.99873	1.8
98.20864	0.7
101.00866	5.9
103.05176	0.6
109.02808	0.7
113.00867	1.4
114.49649	0.6
119.01910	18.3
120.02022	0.8
127.02388	1.2
131.01898	7.2
137.02950	2.6
142.03447	0.6
143.01884	22.7
145.03447	8.3
147.01402	1.2
149.02946	0.9
155.01897	8.9
157.03450	4.8
161.02945	45.4
162.03134	1.6
163.04556	0.8
167.01878	7.1
169.03429	2.5
171.04976	1.3
173.02954	16.9
174.03200	0.6
175.04526	1.6
179.01888	1.6
179.03964	0.9
181.03401	0.8
184.04597	1.4
185.02942	31.6
186.03043	1.0
187.04492	4.5
189.06021	0.6
191.03973	4.6
196.04599	0.8
197.02934	12.4
199.04543	0.7
203.03992	17.2
208.04468	1.2
209.02852	1.3
215.04019	8.5
221.05022	1.7
227.03952	6.3
245.05052	100.0
246.05235	3.7
257.05051	4.4
263.06107	24.2
264.06427	1.1
275.06104	12.9
284.51550	0.6
286.07690	1.1
293.07257	5.0
305.07150	9.9
306.07437	0.9
317.07242	1.0
335.08362	3.1
339.20132	0.6
365.09323	8.8
383.10526	1.3
425.06293	1.3
425.07773	0.8
425.11621	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1414
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
54.21009	0.3
61.19354	0.3
67.05540	0.3
70.05303	1.7
71.91821	0.3
83.49994	0.3
88.44463	0.3
91.05457	0.6
98.20842	0.3
103.02174	0.3
107.04937	0.3
119.08516	0.3
121.02868	0.5
123.04432	0.8
139.03915	0.7
147.04387	0.6
153.01784	0.6
158.57422	0.3
159.62517	0.3
163.03912	0.5
179.03395	0.4
203.03418	0.3
229.80652	0.3
293.09955	1.9
407.07556	0.6
425.14130	100.0
426.14493	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75838	0.4
55.05489	1.1
57.03418	0.4
57.07102	0.4
63.14641	0.4
65.03835	0.4
67.05489	1.3
69.03436	0.5
69.07046	0.8
70.06567	0.5
71.04969	0.4
71.60400	0.8
79.05504	1.1
80.57347	0.5
81.03439	0.5
81.07072	2.1
82.08905	0.5
83.08611	0.7
84.24433	0.4
85.02890	0.9
91.05448	1.5
93.07037	1.9
95.04979	1.0
95.08599	2.2
100.11250	1.0
102.27041	0.4
105.07020	1.9
107.04944	0.6
107.08598	1.2
109.06526	0.7
109.10140	1.5
111.08090	0.4
118.95838	0.5
119.08576	1.1
121.10162	0.8
123.04432	1.2
123.11648	0.5
131.08551	1.5
132.01120	0.8
133.10135	0.8
135.04359	0.5
135.08029	0.9
135.11703	0.9
145.10104	0.9
147.04407	0.8
147.11720	0.9
149.02362	0.8
149.09608	0.8
153.01845	0.8
157.10130	1.0
157.25911	0.4
159.11748	1.0
163.03902	0.7
175.14792	0.5
176.14355	0.4
177.05554	0.9
185.04243	1.9
193.04974	0.9
237.07617	2.0
263.16168	56.9
264.16513	2.4
273.03925	2.4
304.18927	0.8
322.05438	0.5
329.25781	0.5
333.49841	0.5
365.24033	0.6
381.13712	0.5
425.21429	100.0
426.21567	5.9
437.37549	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.2
55.05499	4.4
57.07067	1.4
63.96455	0.9
66.40597	1.0
67.05492	4.4
69.03426	2.8
69.07076	8.2
71.04969	1.1
71.08624	11.6
71.13490	2.5
71.77100	1.0
73.02914	1.3
75.14641	0.9
79.05478	1.4
81.03413	1.3
81.07054	6.0
83.08619	4.2
85.02894	8.8
85.06538	7.7
88.48096	1.2
91.05479	2.3
93.07044	3.2
94.06569	1.4
95.08604	4.3
97.02878	2.1
97.06506	1.3
99.04431	1.7
99.08086	10.6
100.96998	1.1
105.06985	1.0
107.04924	1.5
107.08602	2.3
109.02831	1.1
111.08073	67.1
112.08465	1.4
119.08583	2.2
121.10089	1.9
122.06017	3.4
123.04415	2.7
123.11703	3.5
124.04820	1.0
127.03914	1.6
129.09090	1.2
147.04396	1.4
147.11674	4.1
151.03883	1.1
153.01797	1.9
155.14296	91.7
156.14644	1.5
165.12764	3.3
183.13800	100.0
184.14105	2.0
201.14851	53.0
203.06921	1.1
209.15352	1.3
227.16411	4.1
229.17712	1.1
245.17447	4.9
273.07224	1.1
317.60410	1.4
347.11328	1.3
407.11270	1.6
407.63794	2.3
424.20114	2.5
425.21588	5.7
433.84885	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.7
55.05504	6.0
57.03423	3.1
57.07071	2.9
67.05497	3.6
69.03408	3.0
69.06722	1.4
69.07066	19.6
69.11880	0.9
71.04984	3.5
71.08620	3.3
71.12579	1.6
73.02903	2.9
79.05484	2.7
81.07049	25.5
83.04976	2.9
83.08618	5.3
83.99102	1.0
85.02902	25.9
85.06538	7.3
89.46727	0.9
91.05472	2.8
93.07035	4.2
95.08607	10.8
97.02882	2.7
97.06528	3.6
99.04449	5.4
99.08083	2.2
100.66686	1.1
101.02361	3.1
102.28644	1.0
105.07021	8.2
107.08573	8.6
109.06516	5.9
109.10139	1.5
111.08075	2.0
113.06016	2.1
115.07515	1.4
119.08591	6.4
121.10135	11.5
122.96068	1.0
123.04437	2.9
123.08082	6.3
123.11697	29.4
127.03918	1.2
127.07565	8.6
137.09598	1.2
137.13272	1.4
141.09064	3.8
147.11673	34.0
151.03902	2.1
153.01819	2.7
155.14323	7.9
165.12741	23.7
172.35013	1.0
183.13800	96.3
184.14107	1.9
191.37961	1.0
193.84406	1.0
201.14850	100.0
202.15149	1.7
218.94153	1.0
237.03163	1.1
242.64763	1.1
262.10696	1.6
424.20554	1.1
425.21838	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04771	0.8
55.01868	2.3
55.05502	4.4
57.03423	2.3
57.07061	3.5
67.05504	4.2
69.03426	2.1
69.07066	15.5
71.04980	2.6
71.08631	5.0
71.59870	1.1
73.02913	3.7
79.05495	2.0
81.03404	0.9
81.07055	19.4
83.04969	3.1
83.08627	4.2
83.98241	0.7
85.02898	20.7
85.06531	4.6
85.10170	1.7
91.05448	3.0
93.07050	4.7
95.04963	1.2
95.08591	6.6
96.08923	0.7
97.02890	1.6
97.06521	2.3
97.10183	0.9
99.04440	5.2
99.08091	1.0
101.02379	8.0
101.05987	1.0
105.07025	7.2
107.04944	0.9
107.08580	7.2
108.62984	0.7
109.06501	4.8
109.10152	1.0
111.08052	1.5
113.05997	1.4
113.07397	0.6
115.07520	1.7
117.07044	0.7
118.31831	0.7
119.08575	4.4
121.10141	10.9
123.04418	1.9
123.08025	4.4
123.11697	27.2
127.03891	1.2
127.07554	7.4
131.08559	0.8
135.11697	0.8
137.13248	1.9
139.03885	1.7
141.09100	3.2
147.04366	0.8
147.11679	31.6
148.11995	0.7
151.03899	0.8
153.01793	2.6
155.14290	6.9
165.12744	23.8
183.13792	91.8
184.14137	1.6
195.13858	0.8
201.14842	100.0
202.15161	1.3
280.75452	0.7
337.87097	0.7
416.61636	0.7
424.24014	1.2
425.21057	3.5
449.69284	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
55.01870	3.1
55.05508	4.7
56.96557	0.6
57.03439	2.2
57.07071	4.0
57.97739	0.5
61.02920	0.8
67.05498	4.0
69.03424	2.0
69.07064	15.4
71.04987	2.1
71.08624	4.6
71.60545	1.1
73.02927	3.2
79.05498	2.4
81.03417	0.9
81.06575	1.1
81.07052	20.9
83.04957	3.7
83.08611	4.8
85.02898	21.7
85.06528	4.3
85.10173	3.1
91.03954	0.8
91.05472	1.6
93.07033	3.7
95.04976	0.7
95.08597	8.1
97.02901	1.7
97.06525	2.3
97.10180	1.4
99.04456	5.0
99.08112	1.3
101.02372	7.7
101.05993	1.1
105.07025	8.3
107.04947	0.7
107.08585	8.1
109.02890	1.1
109.06506	4.3
109.10166	1.6
111.08080	1.1
113.05984	1.7
115.07552	1.3
116.73502	0.5
119.08574	4.6
121.10137	10.0
123.04394	0.6
123.08060	4.7
123.11699	26.3
125.09623	0.6
127.03913	1.4
127.07561	8.0
129.06976	0.5
129.09129	0.7
133.10054	0.6
137.09659	0.8
137.13232	1.9
139.03902	1.5
141.09074	3.3
142.08611	0.6
145.04991	0.7
147.11679	29.9
151.03905	0.6
151.09375	0.5
153.01845	1.1
155.14317	5.9
157.57558	0.5
165.12750	21.4
166.15901	1.7
180.08731	0.8
183.13795	87.5
184.14101	1.5
201.14842	100.0
202.15228	1.7
209.35172	0.5
212.16490	4.0
227.16406	0.9
238.18063	3.5
245.17415	0.8
256.19046	6.5
262.11371	0.8
375.47946	0.5
424.25214	0.7
424.30640	6.0
425.21310	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	424.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
55.01875	3.3
55.05509	13.6
57.03440	2.7
67.05500	6.0
68.99773	2.0
69.03423	8.1
69.07053	3.9
71.04992	4.9
71.59703	1.3
72.08149	3.7
79.05490	3.5
81.03394	2.2
81.07048	9.5
83.04979	11.4
83.08614	12.5
85.02897	11.1
85.06546	3.1
87.38558	1.4
90.80753	1.5
91.05488	5.1
93.07038	11.2
93.59403	1.3
95.04960	23.0
95.08595	6.4
97.02894	6.0
97.06516	4.8
97.10190	3.5
99.04457	5.5
105.07014	7.2
107.04929	2.7
107.08587	16.8
109.02888	2.4
109.06503	12.2
109.10152	13.8
110.06056	3.9
111.04401	2.9
111.08059	3.2
115.07607	2.0
117.07009	1.5
119.08622	7.9
119.09367	1.3
121.10132	27.6
123.04441	5.8
123.08018	1.7
123.11700	5.1
125.09615	4.9
127.03925	3.7
128.62970	1.5
131.08578	4.2
133.10107	22.0
134.99463	1.3
135.04395	1.8
135.08044	3.5
135.11681	5.1
139.03871	6.7
139.11166	10.4
144.87520	1.6
145.04985	3.1
145.10120	2.7
147.04414	4.5
147.11667	4.5
149.09572	1.6
149.13248	6.5
150.06155	1.3
151.07518	1.6
151.11166	13.4
153.01900	7.6
153.02939	1.8
153.09093	11.6
158.10875	2.1
159.88321	1.5
163.03917	3.1
163.14839	7.7
167.14330	16.6
173.13264	14.6
175.03941	1.8
181.04987	1.4
183.06540	3.2
191.14281	22.5
203.03351	2.2
209.15352	100.0
227.16440	10.6
229.04874	1.7
237.02750	1.7
245.04405	3.3
257.04459	4.8
258.05115	2.0
259.06003	2.1
261.03976	1.6
261.90668	1.6
262.10788	4.7
273.03918	2.2
285.04260	1.6
287.05539	2.6
299.05539	4.3
302.43643	1.7
375.83231	1.4
379.08060	1.8
388.21341	1.4
406.22379	4.7
407.07523	7.8
424.23352	4.0
425.08682	12.8
425.18243	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	14.7
57.03426	2.4
61.02945	1.6
67.05488	2.9
69.03403	3.2
69.07074	3.4
69.96307	1.6
70.95174	4.3
71.04994	2.3
78.30521	1.6
79.05476	3.4
81.03429	1.8
81.07059	4.9
83.04976	8.2
83.08609	11.8
85.02880	5.3
85.06548	2.8
91.05482	2.6
93.07044	10.5
95.04946	9.1
95.08587	4.8
97.06522	6.4
97.71621	1.7
99.04457	3.8
99.15620	1.7
102.45423	1.5
105.07024	4.7
107.08586	16.0
109.06512	11.0
109.10129	7.7
111.08062	3.6
112.51644	1.7
115.07582	4.1
119.08567	4.6
121.10140	35.2
123.08054	2.4
123.11713	2.2
125.09631	4.8
131.08533	2.5
132.90613	1.7
133.10114	12.7
135.08018	2.3
135.11702	2.3
139.35298	1.8
145.04909	2.1
147.11702	4.4
149.13254	4.2
149.14409	1.7
151.11198	16.2
153.01875	1.9
153.09119	6.4
161.75911	1.7
163.14793	9.8
167.14313	14.1
173.13260	10.7
191.14342	15.5
209.15355	100.0
210.15671	2.0
227.16470	7.9
258.32181	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
55.05508	5.3
55.22487	0.6
55.82214	0.7
57.03426	0.8
60.04507	0.7
62.20079	0.6
67.05512	0.9
68.82704	0.6
68.99780	1.0
69.03410	1.3
69.07062	1.4
70.06565	1.4
71.04964	1.1
71.11573	0.7
71.11912	1.5
72.08127	0.7
73.02865	0.7
79.05479	1.0
79.16011	0.7
81.03386	0.9
81.07059	1.8
83.04984	3.1
83.08617	3.6
85.02889	2.1
85.07641	0.7
86.09676	0.9
89.08475	0.8
91.05464	3.2
93.07027	1.6
95.04958	2.6
95.08596	1.3
97.02852	1.1
97.10136	1.3
105.07043	1.1
107.04935	1.5
107.08573	2.3
109.02873	0.7
109.06495	1.1
109.10134	2.8
110.06050	1.6
111.00811	0.8
111.04419	0.8
111.08021	0.8
117.07007	0.7
119.04919	0.7
119.08614	0.8
120.08073	0.6
121.02824	2.4
121.10131	2.7
123.04393	2.5
123.08070	1.1
123.11670	1.4
125.09624	1.0
127.03874	1.0
133.10103	0.7
135.11693	0.8
137.02386	0.9
138.09055	0.7
139.03868	1.2
139.11163	1.7
141.00031	1.1
147.04379	3.0
151.11188	5.2
153.01808	12.4
154.02132	0.9
155.01564	2.1
163.03830	0.8
163.14818	0.7
167.06998	1.4
167.14307	6.6
171.02888	1.0
195.02844	2.9
200.06999	1.0
209.11812	1.9
209.15352	33.7
227.12727	2.4
228.54573	0.7
245.04471	1.9
273.03842	0.7
293.09943	1.6
303.08643	1.2
335.02054	3.1
407.07602	2.1
424.16910	1.3
425.14050	100.0
441.10910	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75866	1.5
55.01864	2.1
55.05508	11.0
60.04514	1.4
67.00780	1.4
67.05508	2.4
69.03412	4.2
69.07053	3.6
69.87099	3.6
69.87512	5.1
70.06599	2.7
71.04965	1.5
79.05486	2.3
81.03397	1.8
81.07062	8.9
83.04984	7.3
83.08619	12.1
85.02903	5.9
85.06544	2.4
91.05460	3.1
93.07051	7.6
95.04970	10.8
95.08592	6.6
97.02899	2.7
97.06532	4.6
97.10165	2.8
98.20796	1.6
98.21329	3.5
98.97607	1.8
99.04475	3.2
105.07010	5.6
107.04970	2.7
107.08598	10.7
107.14596	1.6
109.06505	9.2
109.10166	8.7
111.08068	3.5
119.08570	3.2
121.10130	16.0
123.04414	5.2
123.11729	2.7
125.09632	2.9
127.03907	1.6
133.10094	12.6
135.11656	2.2
139.03874	2.0
139.11197	8.8
145.10075	2.8
147.04376	2.4
147.11687	4.6
149.13225	4.4
151.11185	17.5
151.27380	1.5
153.01842	8.0
153.09070	6.1
157.07600	3.0
157.12222	1.9
163.03862	1.5
163.14822	4.0
167.14313	15.9
173.13303	8.1
175.14815	2.1
176.16548	1.3
177.05411	1.9
179.03325	1.7
183.06554	6.0
184.06894	3.8
185.07036	3.4
191.10706	1.8
191.14322	13.0
209.15349	100.0
227.07939	1.8
227.12773	2.2
227.16412	7.4
244.09685	1.6
245.04416	2.5
257.04248	2.4
273.03918	1.9
276.98700	1.6
287.05630	3.0
407.07437	2.5
425.08743	5.8
425.17914	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	13.2
56.07036	0.9
57.03424	0.9
67.05500	1.9
69.03414	2.5
69.07065	4.3
69.64764	1.1
70.83995	3.5
71.04990	1.4
78.15154	1.1
79.05481	2.7
81.07053	4.3
83.04984	6.6
83.08623	10.8
85.02900	2.5
85.06506	2.5
86.37825	0.9
91.05495	2.0
93.07032	11.6
95.04960	8.1
95.08606	3.9
97.06538	4.8
97.10151	1.9
99.04459	2.3
99.08092	1.1
100.11709	1.1
101.51662	0.9
105.07029	3.2
107.08585	16.2
109.06512	4.1
109.10140	7.7
111.08064	2.9
113.05916	0.9
115.07581	7.2
119.08578	4.4
121.10136	47.3
123.08001	1.6
123.11688	3.7
125.09626	3.6
131.08537	1.2
133.10141	6.5
135.08058	1.5
135.11700	2.1
147.11659	2.1
149.13231	2.6
151.11174	16.1
153.09087	5.5
153.88353	1.2
163.14789	11.5
167.14305	19.0
173.13213	7.1
175.14793	2.5
191.14276	13.7
209.15352	100.0
210.15695	3.3
227.16423	10.9
291.53140	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.5
55.01862	3.9
56.96556	3.0
57.03428	3.3
58.55947	1.3
60.20425	1.3
61.02913	2.0
69.03429	9.5
70.06595	2.3
71.59237	2.4
73.02903	1.8
79.01839	2.3
79.05483	3.0
81.03407	7.5
81.07048	2.4
85.02901	25.5
87.04417	1.9
88.71458	1.7
91.05486	12.3
92.70877	1.4
93.07021	4.6
95.04985	3.2
95.49477	1.5
97.02876	11.2
99.04446	2.7
99.05566	2.0
103.05479	10.6
105.03419	2.6
107.04928	5.4
109.02869	4.9
109.06522	6.0
111.04465	1.7
111.21445	1.4
116.98660	2.4
119.04948	5.7
121.06509	13.2
121.10146	2.0
123.04430	7.0
125.02354	3.0
127.03917	7.7
131.04935	13.6
133.02853	29.8
134.03642	2.5
135.04480	4.4
136.28212	1.8
137.05965	16.0
139.03918	8.8
140.04660	1.6
143.03395	3.2
145.02827	3.0
145.04950	4.5
145.06064	3.4
147.04404	5.5
148.05171	3.4
149.05981	27.8
153.01817	100.0
159.04376	10.2
161.02895	2.0
161.06044	2.0
163.03905	3.0
163.07590	2.2
165.05472	28.2
165.06856	1.9
167.07039	39.5
171.02870	4.3
171.06519	2.2
176.04691	2.3
177.05466	66.6
179.03387	1.9
181.08638	2.2
182.05762	4.1
189.14925	1.4
191.07072	3.9
193.04793	1.4
193.10043	1.7
194.05737	3.1
195.02855	1.8
197.06239	3.5
197.08076	69.4
201.05661	1.8
203.03419	2.3
209.08070	72.2
210.08394	2.1
217.04884	2.0
227.09140	43.8
245.04671	5.9
257.04379	5.4
260.17517	1.8
262.10681	3.4
263.05496	5.8
273.03781	1.6
287.05487	6.5
297.05988	4.9
299.05432	3.6
315.07092	27.6
424.07370	2.2
425.08817	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	424.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01851	0.9
56.96554	0.6
57.03415	0.6
58.36107	0.4
60.08156	0.8
61.02906	1.8
67.04211	0.6
69.03419	3.1
69.34548	5.2
71.04995	0.9
73.02902	1.1
78.04704	0.5
79.05503	1.2
81.03400	1.6
85.02898	10.9
89.03903	0.7
91.05451	2.4
93.07015	2.6
95.04964	1.6
96.29617	0.4
97.02865	4.3
98.21521	0.9
98.97531	0.6
99.04435	1.1
101.04224	0.6
103.05444	4.2
105.07018	0.9
106.04176	0.6
107.04953	2.9
109.02868	1.4
116.98588	1.2
117.03364	0.8
119.04900	0.9
121.06502	9.1
123.03656	0.6
123.04440	4.1
124.05246	0.5
127.03860	0.9
131.04924	4.6
133.02843	1.7
133.06470	0.9
134.99625	0.7
135.04440	1.3
137.05969	8.4
139.03871	0.8
139.44164	0.5
140.04646	2.2
145.02734	0.7
145.04900	1.6
146.99586	0.5
147.04355	1.3
148.05164	1.0
149.05974	12.2
151.03853	0.7
152.04654	1.0
153.01805	6.6
154.02182	0.6
155.07013	2.1
158.99609	0.7
159.04387	3.8
161.05908	0.5
163.03874	1.1
165.05458	2.0
167.07021	100.0
168.07373	1.4
172.04222	0.9
176.04701	1.1
177.00797	0.6
177.05449	31.4
178.05817	1.0
181.08591	1.4
183.06523	0.6
191.07062	1.5
193.08626	3.1
194.05730	1.0
195.06471	1.1
197.08098	1.9
204.11826	0.5
209.08070	23.0
211.09645	3.3
227.09119	58.8
228.09532	1.1
237.02794	1.1
245.04922	1.1
262.05194	3.3
271.05783	0.8
343.07724	1.7
424.15018	1.5
425.08896	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
55.05512	7.3
57.07073	3.7
57.43820	0.7
65.03921	0.8
67.05164	1.0
67.05499	12.5
69.07064	18.2
71.08633	1.1
71.59835	1.4
74.53822	0.7
79.05485	5.9
81.07053	30.1
83.08607	6.7
85.06521	0.7
91.05460	4.9
93.07036	15.9
93.29061	0.6
93.44210	0.7
95.04931	0.9
95.08600	48.8
97.10148	3.5
102.12041	0.7
105.07023	14.8
107.08585	29.5
108.08883	1.1
109.06529	0.7
109.10148	32.0
110.10553	0.9
111.08080	1.2
111.11695	5.4
117.07006	2.5
119.08572	22.9
121.10135	29.3
122.10487	0.9
123.08066	2.2
123.11695	14.1
125.13275	0.8
128.06203	0.8
129.06967	1.7
130.07782	1.0
131.08560	7.2
133.10120	17.4
133.11087	1.4
133.39392	0.6
135.11688	14.6
137.09650	1.0
137.13242	11.9
142.07780	1.6
143.08580	5.1
144.09322	0.9
145.10109	14.7
147.11679	12.5
149.13232	9.0
151.14771	1.4
155.08551	2.1
156.09326	2.1
157.10124	8.5
158.10870	1.1
159.11681	13.1
160.12384	1.1
161.13254	11.6
163.11159	0.9
163.14842	4.9
165.04526	0.7
165.12779	1.4
165.16444	0.8
168.09280	0.7
169.10100	3.5
170.10965	0.9
171.11661	9.2
172.12407	0.9
173.13248	12.3
175.11276	0.8
175.14818	10.2
177.12695	1.0
177.16397	8.8
179.14343	2.7
179.17905	1.1
183.11711	3.1
184.12505	0.8
185.13245	5.3
187.14801	11.1
189.12749	1.5
189.16377	12.7
191.14337	1.6
191.17921	13.0
192.18256	0.7
193.15923	2.2
193.36853	0.6
197.13217	3.3
199.14798	6.5
200.15382	0.9
201.16452	4.5
203.14247	1.4
203.17957	6.3
205.15854	4.5
205.19499	3.6
207.17451	1.9
211.14833	3.1
212.15434	1.0
213.16383	8.5
214.16861	0.9
215.17883	5.8
217.16011	3.6
217.19455	6.0
219.17451	3.7
219.21059	1.8
225.16408	3.1
226.17299	0.8
227.17920	5.2
229.19508	10.7
230.20023	0.9
231.17436	6.2
231.21053	5.8
233.18883	0.8
239.17953	2.1
241.19472	5.2
243.17648	0.7
243.21057	4.9
245.18988	4.1
245.22685	3.5
253.19528	3.0
255.21048	4.1
257.22626	2.6
259.20596	5.3
259.24179	0.7
267.21078	3.0
269.22662	3.0
271.20621	2.3
271.24203	1.9
281.22672	2.0
283.24149	1.4
285.22241	3.5
295.24219	2.8
297.25760	2.7
299.24014	0.9
309.25830	1.6
311.27380	1.1
313.25241	1.6
321.25833	2.5
323.27225	5.8
335.27240	5.1
336.27890	1.5
337.28735	1.3
349.28940	1.0
363.30316	3.5
405.35147	77.3
406.35477	7.2
423.36212	100.0
424.36569	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	424.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.5
55.01849	0.7
55.05478	0.4
57.03422	0.8
60.04502	0.5
69.03411	1.9
70.06579	0.8
71.58616	0.8
73.93457	0.4
79.01833	1.8
79.05463	0.5
79.69413	0.4
81.03409	1.4
81.07058	0.5
85.02895	2.9
91.05452	0.7
94.06596	0.5
95.04943	0.9
95.08562	0.8
97.02877	2.3
98.97562	0.5
99.04431	0.6
99.05547	0.7
99.08088	0.5
102.55792	0.5
107.01291	0.7
108.08142	0.4
109.02864	1.6
109.06500	0.8
112.07616	0.8
119.08531	0.6
121.10150	0.6
123.04399	1.2
125.02346	2.4
127.03909	1.8
130.04984	0.6
134.99654	0.5
135.04407	0.7
139.03877	1.5
143.03429	3.9
145.04967	1.1
145.06091	1.6
147.04462	0.7
153.01820	100.0
154.02142	1.7
167.06984	0.9
168.70787	0.6
171.02921	1.7
171.08005	0.6
177.05438	0.6
185.09734	0.6
195.02907	1.6
195.11708	0.5
203.03445	0.8
209.08023	0.7
209.15216	0.6
219.78578	0.6
223.11237	0.6
241.12164	0.5
263.05817	0.7
287.05484	1.0
297.05981	2.4
299.05508	1.2
315.07071	31.1
316.07498	0.6
327.16043	0.6
352.18979	1.0
370.20288	1.0
381.11575	1.0
388.21140	1.4
406.22076	0.8
407.07315	0.7
424.23172	0.7
425.08405	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3618
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
55.05507	6.8
57.07059	2.8
66.93825	0.7
67.05496	8.6
69.07061	17.5
70.85768	2.5
71.08639	0.9
71.82059	0.9
72.44370	0.7
72.55311	0.7
79.05483	5.5
79.80765	0.7
81.07053	23.0
83.08611	6.3
91.05469	4.1
93.07035	11.0
93.20326	0.9
95.08601	38.1
97.06541	1.0
97.10175	4.8
99.08088	0.9
105.07011	12.1
107.08590	22.9
108.08917	0.9
109.10148	22.7
110.10431	1.0
111.11739	3.8
117.07069	1.5
118.93005	0.8
119.08573	17.7
121.10142	21.0
123.08076	0.8
123.11688	12.0
125.13233	0.9
129.06976	1.4
131.08577	5.6
133.10118	17.0
134.18240	0.8
135.08148	0.9
135.11679	11.6
137.13258	7.9
139.11160	1.8
142.07755	1.4
143.08575	4.8
145.10104	8.4
147.11671	9.8
149.13248	4.5
151.14819	2.9
156.09360	1.4
157.10106	6.8
159.11691	13.0
161.13231	9.3
163.14818	3.6
168.09279	0.9
169.10129	2.4
170.10838	1.1
171.11668	7.4
173.13271	7.3
175.14778	5.4
177.16408	8.2
179.14243	2.1
179.17938	1.7
183.11702	2.8
185.13245	4.9
187.14822	5.8
189.16368	17.6
191.17932	26.1
192.18365	0.9
193.15889	1.4
197.13261	3.3
198.14046	1.1
199.14815	4.5
201.16370	4.2
203.17932	6.5
205.15767	1.1
205.19492	1.6
207.17418	3.9
211.14830	2.8
213.16312	5.2
215.17891	6.1
217.16043	1.4
217.19489	8.8
219.17458	3.1
225.16406	1.9
227.17923	5.5
229.19508	5.7
231.17404	2.1
231.21114	2.2
233.19006	1.8
235.20761	1.0
239.17964	2.2
241.19502	5.3
243.20979	1.8
245.18845	4.7
253.19543	2.4
255.21080	4.9
257.22662	1.2
259.20563	4.2
267.21005	5.0
269.22510	5.2
271.20493	3.1
281.22662	2.5
285.22192	6.3
295.24393	4.6
297.25656	1.7
299.23590	1.8
311.27280	1.1
313.25238	1.8
323.27090	1.8
335.27429	3.9
337.28796	3.4
338.29602	0.9
349.28781	1.4
357.61899	0.8
405.35147	56.8
406.35233	5.1
423.36206	100.0
424.36505	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	423.3618
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
50.75620	1.4
53.29271	1.8
53.90374	1.3
55.05506	8.4
57.07072	3.7
65.03930	1.6
67.05502	21.1
67.48483	1.4
69.07067	23.3
69.07413	2.8
71.08674	1.5
72.99755	1.5
79.05495	7.4
81.06579	2.1
81.07054	37.3
83.08614	3.9
91.05447	7.3
93.07043	20.3
95.05043	1.4
95.08610	63.0
97.06528	2.4
97.10163	4.8
98.21499	4.7
105.07023	14.0
107.07873	1.9
107.08594	33.0
109.10155	56.9
111.11720	6.3
119.08591	25.1
121.10136	31.5
123.08035	2.1
123.11712	18.4
129.07039	2.4
131.08568	5.7
133.10123	19.2
135.08025	1.8
135.11720	15.8
137.13252	10.5
143.08553	2.9
145.10130	18.5
147.11684	10.8
149.09590	2.6
149.13254	13.4
151.11143	1.5
156.09346	1.5
157.10187	7.3
159.11687	16.9
161.09639	2.4
161.13261	9.9
163.14810	13.2
166.49829	1.5
169.10168	2.1
171.11713	7.9
173.13295	10.2
175.11221	1.7
175.14848	9.5
177.16344	8.3
179.14238	2.4
183.11723	2.6
185.13287	5.4
187.14729	8.8
189.16351	8.9
191.17889	7.2
197.13286	2.3
199.14796	10.0
201.16331	9.3
203.14317	2.7
203.17986	5.6
205.15811	4.2
205.19521	14.8
211.14784	2.8
213.16403	5.6
215.17926	5.3
217.15956	11.9
217.19545	4.9
219.17451	5.4
219.21065	3.1
225.16516	1.9
227.17979	4.7
229.19653	4.2
231.17493	6.7
231.21040	3.7
241.19525	6.2
243.21130	3.3
250.82426	1.6
253.19595	3.1
255.21175	3.1
259.20615	3.6
267.21011	3.8
269.22839	4.1
271.24152	2.7
283.24182	2.2
285.22055	2.7
297.25714	2.4
309.25699	1.7
323.27216	2.3
335.27319	2.2
337.29028	2.1
349.43985	2.1
351.30380	1.7
363.30353	1.5
405.35208	41.5
406.35175	2.8
423.36224	100.0
424.36633	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	423.3617
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
55.05502	11.5
57.07056	3.6
65.03960	2.8
67.05514	22.3
69.07061	41.1
69.07409	4.3
70.67556	3.8
79.05496	11.9
81.07054	87.1
83.08617	9.6
85.07652	2.8
91.05481	8.2
93.07038	22.4
95.08605	68.8
97.10181	6.3
105.07024	21.4
107.08583	39.7
109.06474	3.2
109.10138	42.0
111.11708	4.8
119.08572	28.5
121.06521	3.6
121.10148	38.9
123.11680	17.8
131.08598	7.6
133.10117	30.1
135.11705	23.4
136.08807	4.6
137.09612	12.5
137.13269	13.6
139.11098	2.6
143.08583	6.0
145.10089	15.5
147.11707	13.9
149.09598	8.3
149.13242	16.6
151.14862	4.6
155.08473	2.3
157.10161	8.0
159.11691	13.7
161.13309	15.1
163.14812	7.6
164.08383	8.2
165.09102	100.0
169.10184	3.4
171.11728	9.3
173.13249	14.0
175.14819	9.9
177.09242	2.6
177.16417	14.2
179.10718	4.2
183.11710	4.8
185.13246	7.7
187.14832	7.2
189.12711	2.7
189.16389	21.9
191.10675	4.8
191.17928	32.4
193.15927	3.4
199.14880	7.1
201.16393	7.0
203.10762	8.0
203.17929	11.6
205.12190	13.8
207.17397	2.8
211.14801	5.1
213.16376	5.7
215.17944	6.7
217.15785	2.8
217.19588	9.1
219.17398	5.0
225.16357	4.1
227.17979	4.0
229.19563	6.1
231.13934	3.1
241.19472	5.6
245.19048	5.3
253.19563	3.7
255.21251	5.8
259.20529	3.9
267.21109	5.3
269.22629	6.8
271.20462	4.0
271.24197	3.5
281.22568	2.8
285.22299	8.4
295.24298	4.7
297.25739	4.1
313.25082	2.7
337.29102	4.2
405.35129	62.2
423.36298	99.9
424.33463	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	423.3618
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
55.05508	11.6
57.03416	1.0
57.07055	4.5
65.03915	1.1
67.05164	1.7
67.05500	19.7
67.67016	0.9
69.06720	1.7
69.07063	21.9
69.69554	7.3
71.04983	1.6
79.05487	8.9
81.07050	38.0
83.08626	8.4
85.06526	1.8
91.05462	8.5
93.07037	26.1
95.04967	3.5
95.08599	69.5
97.10147	5.2
99.08060	1.4
105.07023	20.8
107.08585	41.4
109.06490	2.5
109.10148	56.7
110.10463	1.6
111.08099	6.9
111.11702	5.6
113.09678	1.4
117.06993	3.1
119.07929	0.7
119.08566	33.9
121.10138	37.3
123.08076	2.7
123.11688	22.0
125.09655	1.0
127.11193	1.1
127.32587	1.0
129.07014	2.3
129.45706	1.0
131.08574	10.6
133.10123	26.8
135.08064	3.1
135.11671	23.5
137.09622	2.5
137.13249	10.8
139.11147	1.1
143.08557	5.8
144.09317	1.2
145.10112	24.8
147.11667	17.3
147.12756	1.2
149.09642	2.1
149.13242	15.4
150.13699	1.0
151.11224	2.6
151.14738	1.1
155.08574	1.7
156.09358	2.0
157.10132	10.4
158.10916	2.0
159.11681	21.8
161.13237	15.8
163.11137	3.2
163.14825	8.0
165.12782	4.4
169.10121	3.3
170.10919	1.7
171.11673	9.7
173.13248	16.3
175.11215	2.0
175.14807	11.2
177.12856	1.3
177.16374	13.0
179.14319	6.1
179.18005	1.3
183.11711	4.8
185.13235	8.0
187.14807	23.3
188.15266	1.5
189.16359	11.0
191.14317	1.4
191.17928	16.2
193.15909	1.3
195.11734	1.2
197.13266	4.5
199.14804	10.0
201.16341	12.6
203.14333	1.5
203.17905	7.8
205.15858	9.1
205.19522	12.6
207.11868	1.1
207.17546	1.1
209.13318	1.3
211.14807	4.6
213.16333	15.3
215.17946	9.6
217.15955	4.6
217.19533	7.0
219.17477	3.4
219.20946	1.2
225.16431	3.2
227.17953	7.3
229.19467	5.5
231.17418	8.8
231.21048	2.5
233.18988	2.7
237.16501	1.3
239.17984	3.3
241.19456	5.8
243.20927	4.8
245.19026	4.0
245.22754	3.1
251.17874	1.6
253.19533	2.8
255.21097	4.3
257.22708	3.6
259.20685	2.3
267.21030	4.6
269.22635	3.7
271.20444	1.9
271.24234	1.5
281.22690	2.2
283.24173	3.4
285.22150	2.1
287.23447	1.5
295.24265	3.3
297.25784	4.8
299.23651	1.5
307.24023	1.3
309.25797	3.6
311.27377	4.1
313.25327	2.6
321.25922	1.9
327.26678	1.5
335.27170	3.4
336.27963	1.1
337.28894	3.1
349.28897	2.5
351.30447	2.7
363.30420	1.1
367.30170	1.9
379.33569	1.6
405.35129	57.5
406.35373	3.9
423.36240	100.0
424.36694	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	423.3618
Annotation	Glochidone
Peak:m/z	Relative Intensity
55.05505	12.3
67.05510	23.6
69.07072	41.4
69.26467	43.0
77.58337	4.9
79.05481	10.4
81.07053	57.4
83.08628	12.0
85.02913	3.7
91.05489	9.5
93.07044	31.1
95.04973	4.6
95.08608	58.9
97.10166	7.8
105.07020	21.9
107.08593	41.2
109.06535	4.6
109.10155	50.6
117.07016	3.8
119.08578	29.6
121.06502	3.3
121.10146	45.0
123.08082	3.7
123.11719	37.2
131.08568	9.4
133.10146	19.9
135.11700	31.5
137.13248	7.7
145.10123	24.1
147.11693	15.8
149.13269	17.5
151.14883	4.3
157.10143	4.3
159.11720	25.2
161.13243	12.0
162.61151	3.7
163.14926	9.3
171.11627	6.0
171.63692	3.7
173.13243	12.1
175.14827	11.2
177.16438	7.0
179.14322	4.2
185.13271	6.1
187.14844	14.2
189.16406	11.3
191.17949	17.8
199.14833	7.7
201.16351	10.3
203.18013	8.3
205.19626	4.7
211.14835	7.7
213.16403	6.9
215.17998	9.4
223.15114	3.3
227.17949	5.6
229.19624	9.6
231.21086	7.2
237.92986	3.7
241.19505	4.1
257.22580	16.9
269.22668	6.6
281.22659	8.8
283.24014	3.8
295.24048	5.9
315.67148	3.5
355.29886	6.0
395.36859	5.3
405.35165	14.5
423.31024	9.1
423.36243	100.0
424.36539	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	423.3619
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
54.98833	1.3
55.05497	4.2
57.07075	2.5
67.05498	7.9
69.07054	11.7
71.61729	2.0
79.05473	4.5
81.07052	19.1
82.98933	1.1
83.04964	1.5
83.08617	3.7
91.05486	6.5
93.07043	13.3
95.08598	24.4
97.10179	1.4
105.07021	14.6
107.08569	16.4
109.06513	1.3
109.10155	17.6
110.10477	1.2
111.11712	1.8
117.06978	2.3
119.08571	17.2
121.10139	15.5
122.48880	1.1
123.08066	1.8
123.11691	8.8
131.08578	3.3
133.10132	11.9
135.11678	10.5
137.13248	8.6
138.01942	0.9
138.06349	1.4
143.08527	1.7
145.10109	8.5
147.11690	13.1
149.09595	4.3
149.13261	5.8
157.10103	4.8
159.11673	7.3
161.13232	14.0
163.14822	4.1
169.10060	1.6
171.11670	4.5
173.13258	5.0
175.14822	5.3
177.16408	3.3
179.14299	1.7
183.11565	1.8
185.13237	3.5
187.14819	3.9
187.23587	1.2
189.16356	2.6
191.17941	3.3
197.13214	1.3
199.14793	2.8
201.16460	1.8
205.19577	1.1
211.14789	2.0
213.16429	2.3
214.07896	1.2
227.17969	3.2
229.19493	1.8
241.19621	1.4
243.21103	5.1
244.37462	1.1
245.22614	3.8
255.21077	3.4
257.22559	6.1
259.24066	1.4
267.21033	4.3
269.22675	4.2
271.24200	5.8
281.22400	1.6
283.24139	5.6
285.22214	2.8
295.24246	1.8
297.25931	1.8
309.25687	1.3
363.30362	1.9
377.32336	1.9
405.35135	19.1
423.36206	100.0
424.36578	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	423.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
55.05500	6.4
55.60387	1.9
57.03417	2.4
57.07066	5.3
66.77342	1.7
67.05503	16.7
69.07055	12.3
69.54163	7.2
69.54588	7.3
71.08625	5.6
79.05489	7.2
81.07064	23.2
83.04956	3.2
83.08616	5.5
85.06541	3.8
90.99841	1.7
91.05476	6.0
93.07042	17.1
95.04926	2.6
95.08057	1.9
95.08610	22.4
97.06548	4.2
97.10152	2.0
99.08109	2.6
105.07025	12.9
107.08578	19.7
109.06532	17.4
109.10153	15.6
111.08079	3.2
111.11729	2.6
117.07015	2.1
119.08571	13.3
121.10126	13.8
123.08064	21.9
123.11713	8.1
125.09614	2.1
127.11166	1.8
128.35773	1.7
131.08577	4.9
133.10130	12.6
135.08101	9.1
135.11665	9.7
137.09605	2.7
137.13310	2.2
145.10109	9.9
147.11714	9.8
149.09602	2.3
149.13240	5.4
155.08423	1.9
157.10100	4.7
159.11694	7.3
161.13274	5.6
163.14758	4.4
171.11682	3.6
173.11891	2.0
173.13312	5.5
175.14835	3.8
177.12759	2.3
179.14304	70.9
183.11760	2.1
185.13303	2.7
187.14825	5.1
189.16420	2.8
191.17892	3.9
193.15833	2.2
199.14832	2.3
201.16472	4.8
205.15874	3.4
215.18118	3.4
217.19592	1.8
231.17601	1.7
231.21025	2.0
241.19627	1.8
267.21097	1.9
275.19992	2.5
288.31174	2.0
331.26385	25.9
349.27325	5.6
405.35056	6.8
423.31042	100.0
423.36279	20.1
424.31409	2.9
437.67017	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.5
53.03939	1.2
55.01873	1.2
55.05508	12.1
57.03434	3.1
57.07074	1.5
59.04998	3.5
65.03934	4.2
65.92463	0.6
67.05502	100.0
69.07064	10.5
70.65994	1.3
71.04975	4.7
71.05291	0.5
71.47426	0.6
72.25666	0.6
79.05488	19.9
81.03421	1.3
81.07054	47.1
83.04987	3.0
83.08621	9.3
85.06532	3.1
91.05473	15.1
93.07041	26.0
95.04967	3.4
95.08604	13.8
95.09228	0.7
97.06529	4.0
97.10174	0.9
99.08070	1.3
100.27288	0.6
105.04557	0.7
105.07043	4.1
107.04974	0.9
107.08591	14.7
109.06536	1.6
109.10151	53.9
110.10435	0.6
111.08083	4.1
117.07011	2.9
119.08582	5.3
119.94358	0.6
121.06520	0.9
121.10132	7.2
123.11726	1.4
131.08556	4.1
133.10138	5.1
135.08061	1.4
135.11673	4.7
137.09596	2.9
139.11208	0.9
147.11624	0.8
149.09618	1.0
149.13255	14.7
149.14371	1.2
155.10661	3.4
159.11674	7.0
167.14365	1.0
173.11728	20.3
173.12903	0.8
177.12776	3.1
177.91049	0.7
195.13786	9.7
204.59523	0.6
213.14917	1.3
285.10165	0.7
368.88403	0.7
423.27393	79.1
424.27820	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.5
55.05505	13.7
57.03416	3.9
57.07055	1.3
59.04989	2.9
65.03925	3.0
67.05498	100.0
68.05830	0.9
69.03410	3.5
69.07066	13.0
70.76493	0.9
71.04980	4.5
71.59553	1.6
71.63416	1.0
79.05060	1.5
79.05489	23.3
81.03405	1.6
81.07050	51.4
83.04957	2.9
83.08611	11.8
85.02879	1.3
85.06538	3.6
89.11447	0.8
91.04907	1.1
91.05470	18.7
93.07034	30.7
95.04950	3.8
95.08600	18.6
97.06522	5.5
99.08070	1.5
105.07022	8.5
107.04928	1.1
107.08585	19.4
109.06500	2.6
109.10146	52.5
110.10490	0.9
111.08075	5.2
113.96104	1.0
117.07012	5.1
119.08573	9.4
121.06483	2.0
121.10131	9.8
123.08037	1.8
123.11684	3.1
125.09630	1.4
129.06944	1.8
131.08530	7.3
133.06474	1.2
133.10123	9.9
135.08044	1.7
135.11674	6.1
137.08586	1.0
137.09602	2.6
141.07036	1.0
143.08539	2.2
145.10136	3.5
147.11673	3.8
149.09605	1.2
149.13251	12.0
151.11189	1.6
155.10635	2.3
157.10118	2.2
159.11667	8.5
161.13243	1.9
169.10088	1.5
171.11633	2.5
173.11742	16.6
173.13152	1.8
175.14725	1.4
177.12724	3.2
179.14221	2.0
185.13353	1.2
187.14812	1.9
187.34709	1.0
189.16345	1.3
195.12070	1.4
195.13768	8.3
199.14821	1.1
201.16272	1.5
211.14915	1.2
213.14746	1.5
261.22202	2.4
331.26416	1.1
369.24280	1.3
377.63730	1.4
387.25681	1.7
405.35522	1.1
423.27344	65.2
424.27463	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37121	0.7
53.03938	1.6
54.96666	0.8
55.05509	12.0
57.03421	2.3
57.07054	2.7
59.04982	3.2
59.69332	0.8
65.03918	2.5
67.05499	100.0
69.03404	1.2
69.07062	11.5
69.83564	2.8
69.83980	1.8
71.04973	3.2
76.27845	0.8
79.05482	19.5
81.03405	1.3
81.07049	46.4
83.04971	2.1
83.08144	1.0
83.08613	11.8
85.06533	4.6
91.05477	15.0
93.07039	30.4
95.04953	2.5
95.08598	13.2
97.06524	5.3
97.10156	1.1
98.21471	1.1
99.08072	1.4
105.07034	4.3
107.08588	18.0
109.06529	1.8
109.10146	56.9
111.08064	5.4
117.06992	4.4
119.08572	5.9
121.06517	1.2
121.10125	8.9
123.11706	1.6
131.08527	4.0
133.10136	6.6
135.08011	1.0
135.11642	4.8
137.09601	3.8
149.13246	15.4
151.11194	1.2
155.10612	4.0
159.11693	7.0
173.11722	21.8
173.13176	1.5
177.12743	2.9
195.13768	10.7
213.14906	2.0
231.55055	0.8
300.51282	0.8
316.61911	1.3
394.84729	0.8
423.27377	84.4
424.27518	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	423.201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43858	0.7
53.03934	1.1
55.93010	0.8
69.03423	1.0
69.07064	0.9
70.06580	0.9
71.51729	1.4
78.04698	3.2
79.05506	4.4
81.03427	0.9
81.07056	1.8
85.02872	1.6
91.05470	3.1
93.07036	2.0
95.04936	2.1
98.21038	0.9
103.05483	4.1
105.07039	5.9
106.02916	0.9
106.04152	1.5
106.07354	0.8
107.04958	7.0
107.08584	1.1
109.06479	0.9
115.05456	2.3
117.06991	1.4
119.04926	1.5
119.08596	1.0
119.18734	0.8
121.06492	1.7
121.10118	1.4
123.04429	18.9
123.08038	2.4
124.03904	1.7
124.05202	3.4
125.04354	0.7
125.05996	2.0
129.06946	0.9
131.04938	5.9
131.08572	1.1
133.06497	4.6
135.04369	1.1
135.08038	0.8
137.05962	3.7
137.09564	0.9
139.03935	4.9
144.05701	1.3
145.06468	2.5
147.04404	2.2
149.09579	0.7
151.03896	2.1
151.07545	2.9
152.04723	2.5
153.05530	1.8
158.07216	0.8
159.08046	2.2
159.72046	0.8
161.05983	7.9
163.07541	11.4
167.07036	100.0
168.07701	4.9
169.08202	2.6
173.05876	0.9
173.07176	4.8
173.09392	0.9
175.07567	1.5
177.09171	1.7
179.07018	1.5
181.08569	4.0
182.12592	2.2
187.07542	3.6
188.25783	0.9
190.12979	0.9
193.08600	15.9
201.09029	1.7
207.13876	0.9
208.14107	2.0
219.10170	1.8
226.15218	2.0
233.11705	1.9
237.11269	1.8
243.11252	2.1
261.12311	2.5
273.07516	4.0
275.11105	1.8
323.12860	1.8
355.15433	4.6
405.19461	1.0
423.12775	2.7
423.20193	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02897	0.3
67.36710	0.3
67.79082	0.3
69.03409	0.6
70.06576	0.6
71.24923	0.6
71.25262	0.5
72.08150	15.1
79.01832	0.3
81.03392	0.5
83.04978	0.5
83.08628	0.3
85.02877	1.0
91.05453	0.5
93.07025	0.4
95.04977	0.5
97.02887	0.7
99.04475	0.3
107.04929	0.9
109.10210	0.3
123.04409	1.4
123.11696	0.3
124.04796	0.3
125.02345	0.6
127.03915	0.8
139.03902	0.7
143.03375	0.3
147.04370	1.0
151.03886	0.4
153.01808	1.5
154.02173	0.3
163.03911	0.6
166.62494	0.3
167.07039	1.0
183.06479	1.5
184.06859	1.2
203.03252	0.3
209.15486	0.6
214.72183	0.3
217.05116	0.5
225.07524	0.4
226.07828	0.3
226.98619	0.3
235.06053	0.5
237.02728	0.4
243.08714	0.3
255.06415	0.4
261.13092	10.8
363.13498	0.3
423.18356	100.0
424.18741	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50989	0.8
55.05490	2.2
67.05501	1.0
69.07048	2.6
71.04986	9.7
71.59720	0.7
74.06071	0.8
74.94762	0.9
79.05457	1.4
81.03378	1.0
81.07027	2.7
83.08595	2.5
85.02877	1.6
88.96988	0.7
91.05464	0.9
93.07007	1.3
95.08600	4.4
99.04449	38.5
105.07000	2.2
107.04862	0.8
107.08595	12.1
109.06525	9.2
111.08135	0.9
113.09651	2.0
115.07536	2.2
119.08547	2.1
121.10120	3.5
123.08066	7.7
123.11687	4.9
124.98058	0.9
125.09631	2.4
137.09619	1.4
139.11169	2.1
141.12747	0.9
143.36205	0.8
147.11685	2.4
147.95955	0.7
149.09592	4.2
155.83073	0.8
161.13289	1.1
165.12756	4.6
167.10675	14.4
168.11116	0.7
171.11653	0.8
183.13783	14.9
189.12770	2.4
199.13284	2.2
207.13779	4.3
225.14838	100.0
226.15129	2.6
243.15950	2.2
261.07385	2.2
275.10931	1.1
277.01578	1.5
305.01138	5.4
333.00519	4.9
352.92520	0.8
376.75198	0.7
423.12637	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	422.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.6
57.03421	1.4
58.32775	1.4
64.65965	1.3
67.05491	1.8
69.03429	4.7
71.04996	11.1
71.51637	3.4
79.05486	2.3
81.03413	5.5
81.07037	4.7
83.04981	4.0
83.08611	3.9
85.02901	9.3
87.04457	1.4
91.05473	2.6
93.07007	4.2
95.04959	3.6
95.08562	3.5
97.02894	3.3
97.06532	2.6
99.03836	3.0
99.04453	45.5
99.50230	1.3
105.07030	4.6
106.02825	1.3
107.08585	19.3
109.02880	4.9
109.06506	14.6
109.10165	5.2
111.82645	1.2
113.05982	1.8
113.09636	2.2
114.93085	1.2
119.04928	1.8
119.08575	3.9
121.10146	13.0
123.04419	6.5
123.08067	26.4
123.11683	7.0
124.03945	5.0
124.04790	2.2
125.02341	1.6
125.05987	2.0
125.09622	8.0
127.03906	5.1
137.02361	2.0
137.09601	1.6
139.03918	8.1
139.11151	2.7
143.03282	1.6
147.04385	5.4
147.08046	1.8
147.11670	4.0
149.09601	13.2
151.03917	1.3
151.07542	4.9
153.01826	52.6
154.02187	2.7
163.03905	2.4
163.11243	2.1
165.12793	10.5
167.10675	19.6
171.02879	6.8
177.05580	1.3
179.14328	3.5
181.12207	2.9
183.06607	6.9
183.13808	14.8
189.12779	4.5
191.62340	1.4
207.13786	18.1
225.07617	2.9
225.14845	100.0
226.15080	2.6
235.05991	1.8
236.06238	1.9
239.40283	1.5
261.03979	2.0
273.03760	2.1
289.07214	1.7
292.99588	1.4
297.06006	4.1
305.00916	1.5
315.07034	8.5
347.94958	1.5
387.19907	2.5
404.16434	2.6
422.04700	1.7
422.10126	5.4
423.07040	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.1
55.05495	1.3
57.03436	1.3
57.07061	1.4
57.16200	1.0
59.12751	0.8
61.02917	1.2
67.05503	2.7
69.03410	4.2
69.07058	2.5
69.50895	0.8
70.03199	3.8
70.73413	0.9
71.04993	4.4
72.19812	0.9
79.05486	6.9
81.03419	1.7
81.07053	5.1
83.04971	1.7
83.08617	1.0
85.02899	8.8
85.06559	1.5
87.04456	2.7
91.05471	5.8
93.07035	8.1
95.04961	3.8
95.08583	5.0
97.02873	2.8
97.06552	1.3
98.21470	1.3
99.04446	9.0
101.02357	2.8
105.07028	10.4
105.45293	0.9
107.04956	1.2
107.08585	58.5
108.08879	1.6
109.02867	1.5
109.06508	7.7
109.10149	3.2
111.08073	3.7
119.08573	9.9
121.06510	1.0
121.10128	12.4
123.04408	4.4
123.08059	52.4
123.11676	3.5
124.04771	1.7
125.05988	2.7
125.09629	11.4
127.03906	1.8
127.11203	1.4
131.08560	2.0
133.06435	1.5
133.10149	2.9
135.11641	1.8
137.05981	2.2
137.09590	2.0
139.03886	2.6
139.11185	3.2
143.07051	1.1
145.06490	1.3
145.10130	2.0
145.50488	1.2
147.04446	1.3
147.11650	4.3
149.09613	18.8
151.03955	1.8
151.07529	25.6
153.09093	1.0
155.07066	1.3
161.13234	10.8
163.03912	1.1
163.11140	1.5
165.09123	3.9
165.12752	10.8
167.07037	3.0
167.10686	7.5
167.14282	2.7
169.08553	3.7
169.09926	1.2
169.12239	2.0
179.14284	6.7
183.13762	3.5
184.14061	0.9
189.12737	9.4
207.13791	53.4
208.02866	0.9
208.14212	1.8
211.09659	7.1
217.08591	1.2
223.13326	1.3
225.14842	100.0
226.15204	3.8
232.08835	1.0
243.15919	19.7
249.11195	1.1
260.09195	2.7
260.13113	1.0
271.06055	1.2
272.03171	1.8
300.02615	17.3
301.02954	1.3
313.01468	1.1
333.00589	17.0
333.24521	1.1
359.01971	2.1
422.05115	1.6
422.18738	1.4
423.14279	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.1
56.71700	1.5
56.96552	1.9
57.03409	3.0
62.99055	2.2
65.00642	2.5
67.01832	2.0
67.05512	1.8
69.03424	8.9
69.60165	5.6
69.60590	7.0
70.33719	1.9
71.05003	2.2
74.06062	2.1
76.03986	2.6
81.03404	7.9
83.03737	1.7
84.04495	5.3
85.02905	33.7
85.04016	5.8
92.01677	2.2
95.04961	2.5
97.02875	15.5
98.21550	1.9
98.97548	1.8
99.04441	2.9
99.05566	8.3
107.04973	2.1
109.03284	14.1
111.05619	2.3
115.04263	2.4
115.05006	11.8
121.10131	2.0
123.04423	12.2
127.03899	18.8
127.04951	4.5
128.04254	4.4
129.01649	2.4
130.05009	4.8
130.06512	34.4
130.09933	1.8
130.16562	1.9
134.05995	10.9
137.05905	2.5
139.03958	2.0
144.08160	2.2
145.04912	2.3
146.06000	16.1
147.04379	5.3
153.01808	19.5
154.02072	2.4
157.07608	37.0
158.05992	4.3
160.07605	2.8
168.08090	1.8
170.06046	11.2
172.05933	2.8
172.07547	3.3
175.08714	2.3
176.07208	2.0
177.03310	9.4
179.04845	2.1
183.06517	59.9
185.07092	6.0
188.07056	3.0
194.13226	1.9
196.07561	4.8
199.08707	2.9
214.09752	7.6
225.07608	11.6
242.09232	100.0
243.08839	8.2
248.26865	1.9
256.10791	3.8
260.10300	55.4
275.08707	4.4
284.10284	19.9
302.11359	5.3
306.07401	2.8
315.06952	2.0
326.11429	4.2
330.03760	1.8
338.11215	4.4
368.12466	4.4
386.13434	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08350	0.2
53.03953	0.2
53.63505	0.3
55.01856	0.8
60.46240	0.2
61.02909	0.3
67.05487	0.6
67.15682	0.2
69.03411	0.9
69.90492	0.3
69.90810	1.6
79.05518	0.4
81.03399	0.7
83.61996	0.2
85.02900	2.3
87.04507	0.2
95.04945	1.9
97.02858	0.5
107.04923	0.3
109.02876	0.4
109.06480	0.3
122.03653	0.4
123.04420	18.1
124.04778	0.4
125.05980	0.4
127.03913	0.3
135.04407	0.3
137.05978	1.4
139.03931	0.5
140.04688	3.5
151.03880	0.5
153.01797	0.6
165.05470	0.8
168.04175	2.9
171.06488	0.4
179.71658	0.3
183.06520	100.0
184.06862	2.6
193.04974	0.6
197.08139	0.6
225.07545	15.4
226.07887	0.8
243.08636	19.8
243.45079	0.3
244.09004	0.5
422.16943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
54.26878	0.5
56.96553	1.6
57.03427	2.2
60.04506	0.6
61.02921	1.7
69.03423	3.3
71.59636	1.1
73.02913	1.6
74.00673	0.7
80.98634	0.6
81.03404	2.5
84.04510	0.9
84.08132	0.6
85.02900	10.0
86.03229	0.6
87.04467	0.9
95.10508	0.6
97.02887	5.3
98.97565	2.1
99.04435	0.8
100.02193	3.8
101.02480	0.7
109.02870	1.5
115.02135	1.9
116.98616	2.1
119.04966	0.7
120.01141	0.9
123.04420	3.5
127.03908	3.1
134.99652	1.2
137.05988	1.0
139.03877	1.9
140.04674	0.7
140.26700	0.6
143.01605	17.1
143.03352	1.0
145.04942	1.3
146.02742	6.1
146.99646	1.2
147.03030	2.7
147.04317	1.2
153.01833	8.5
153.03001	1.1
158.99696	0.9
161.01228	1.2
171.01102	100.0
172.01422	1.6
177.00728	1.6
183.06516	12.7
214.07173	0.7
219.01744	0.7
225.07611	2.5
237.02843	2.3
243.08583	3.1
244.80988	0.6
255.03896	1.0
259.07465	1.9
260.05823	18.5
261.06076	0.8
276.04852	0.9
299.08786	0.8
303.01254	0.7
386.09192	1.1
404.10123	0.8
422.11536	1.3
423.06158	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32316	0.9
53.03946	0.8
55.05513	5.6
57.07067	4.0
67.05220	0.9
67.05504	10.0
69.03412	1.4
69.07063	16.7
70.73364	1.3
70.73722	2.7
71.08594	0.9
73.51901	0.9
79.05501	4.4
81.07051	22.4
83.08617	5.4
85.06520	1.6
91.05472	5.2
93.07039	10.6
95.04954	1.1
95.08601	37.5
96.08947	1.0
97.06545	0.9
97.10147	3.5
99.08092	1.1
105.07018	13.4
107.08587	16.4
109.06499	2.5
109.10149	28.4
110.10455	0.9
111.08086	1.4
111.11710	5.3
113.09682	1.0
117.07039	1.7
119.08566	15.0
121.09314	1.7
121.10137	21.6
123.08064	6.2
123.11681	15.1
125.09640	1.9
125.13210	1.1
128.06206	1.0
129.06995	1.6
131.08551	6.0
133.10120	24.1
135.08009	0.9
135.11705	8.0
137.09636	1.2
137.13234	8.8
142.07802	2.8
143.08537	6.4
145.10107	14.7
147.11679	11.0
149.09624	1.2
149.13242	5.9
149.83076	0.8
151.11176	1.4
155.08546	3.3
156.09346	2.7
157.10115	18.1
158.10741	1.3
159.11684	15.6
161.09616	2.0
161.13246	7.9
163.14856	2.8
165.12767	2.7
168.09322	1.0
169.10136	6.4
170.10866	2.4
171.11668	12.2
172.12325	1.4
173.09637	1.4
173.13225	10.0
175.11195	1.7
175.14804	5.8
177.12761	1.3
177.16350	2.4
181.10117	3.1
182.10841	1.6
183.11673	9.5
184.12434	1.6
185.13251	9.1
187.11217	1.4
187.14760	12.3
189.12764	1.6
189.16264	5.3
191.14401	0.9
191.17918	6.9
193.15813	1.1
194.10899	1.6
195.11708	5.1
196.12431	2.3
197.13203	10.7
199.11356	1.2
199.14806	8.7
201.16389	4.4
203.14351	2.7
203.17947	3.3
205.15857	2.4
205.19505	3.4
207.11711	2.3
208.12514	1.8
209.13184	5.6
210.14149	1.0
211.14749	9.0
213.12854	0.9
213.16318	6.6
215.14252	2.2
215.17938	3.8
217.15955	5.3
217.19536	5.3
221.13228	1.9
222.14027	1.4
223.14784	6.5
225.16379	10.2
227.17957	2.7
229.15884	3.7
229.19412	4.1
231.17403	1.7
231.21169	1.1
235.14891	1.6
237.16415	3.4
239.17938	6.9
241.19525	3.4
243.17432	1.9
243.20915	1.6
244.01538	0.9
250.17252	1.5
251.17891	2.5
253.19547	3.4
255.21082	5.8
257.19070	1.9
257.22580	2.4
265.19501	12.0
266.19821	0.9
266.69415	1.0
267.21164	1.2
269.19424	1.5
269.22607	16.6
270.23035	1.3
279.21176	2.2
281.22626	2.0
283.20547	9.1
283.24146	3.4
284.21091	1.0
293.22586	2.4
295.24188	6.1
297.22189	0.9
307.24286	1.6
309.25745	2.2
311.23715	1.9
313.25317	1.1
319.24188	1.0
321.25922	1.8
323.23712	1.5
323.27344	1.9
325.25333	1.3
333.25717	4.8
334.26477	1.0
335.27332	3.0
347.27505	2.2
349.28854	1.5
351.26718	3.0
353.28290	4.0
361.28851	2.0
363.30258	6.6
377.32202	2.5
379.34030	1.1
393.35269	2.3
403.33542	47.4
404.34045	2.2
421.34631	100.0
422.35004	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.3
57.07067	3.5
61.96767	2.1
67.05499	4.8
69.07056	9.4
71.26851	3.7
71.27193	2.6
79.05476	3.6
81.07047	13.1
83.08601	3.8
91.05486	4.1
93.07049	10.1
95.08597	26.8
97.06493	2.2
105.07008	8.4
107.08587	17.2
109.10155	14.9
111.08048	2.7
111.11732	2.5
117.06983	2.1
119.08555	12.7
121.10136	18.5
123.11703	4.5
131.08530	4.6
133.10121	13.1
135.08066	3.9
135.11659	9.5
137.09584	3.7
137.13257	5.6
143.08542	4.6
145.10127	8.8
147.11696	10.3
149.09616	5.0
149.13260	3.5
155.09406	1.9
157.10138	4.4
158.10912	3.1
159.11623	12.8
161.09651	2.3
161.13255	6.3
163.14861	2.5
170.10873	2.1
171.11687	5.4
173.13257	28.8
174.14053	3.2
175.11169	5.4
175.14807	13.1
177.16412	5.6
183.11728	3.7
184.12350	3.5
185.13266	3.0
187.14867	4.1
189.16309	3.4
191.17941	24.3
193.15860	2.5
197.13280	2.0
199.14838	6.7
201.16344	3.8
203.14313	7.0
203.18011	6.1
207.17406	2.9
213.16533	2.0
215.18095	2.1
217.15875	60.1
217.19298	3.3
225.16182	2.2
231.17450	5.3
243.17406	9.6
257.18958	2.5
311.23770	2.5
354.20020	1.8
403.33630	8.7
421.34616	100.0
422.35092	3.5
444.63409	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	421.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.5
57.07077	3.8
67.05492	11.6
69.07070	24.3
69.46076	4.0
69.46483	14.0
71.08619	1.9
78.48177	1.6
78.80107	2.7
79.05491	5.0
79.52185	1.9
81.07044	27.9
83.08627	6.5
91.05471	3.8
93.06519	1.8
93.07021	9.3
95.04975	2.3
95.08605	48.2
97.10164	6.5
98.20756	4.1
105.07007	9.2
107.08591	13.4
109.10159	34.9
111.08088	4.0
111.11721	9.8
119.08569	14.7
121.10133	14.7
123.08079	3.5
123.11714	19.0
125.13294	1.9
129.07018	2.3
131.08595	4.9
133.10141	10.5
135.11693	8.5
137.09644	2.2
137.13255	15.4
139.07556	2.2
142.07782	4.0
143.08560	12.5
145.10100	11.7
147.11699	7.3
149.13275	3.9
155.08559	5.2
156.09348	4.4
157.10127	24.5
159.08092	2.0
159.11697	10.1
161.13306	6.6
163.11154	2.0
163.14763	4.4
167.08549	3.0
169.10139	6.4
170.10970	5.4
171.11671	19.4
173.09744	2.8
173.13277	6.0
175.14830	4.2
177.16428	3.2
179.14330	5.8
181.10136	2.8
182.10928	3.9
183.11665	18.1
184.12440	3.3
185.13272	7.9
187.11414	2.3
187.14839	5.6
189.12723	2.4
189.16371	5.1
191.17943	8.2
195.11642	5.1
196.12534	2.8
197.13252	41.2
199.14786	25.7
199.16287	2.3
201.12779	6.3
201.16399	5.9
203.14272	2.2
205.19525	5.0
209.13251	5.4
211.14888	11.4
212.31589	1.9
213.16428	7.3
215.14325	7.6
215.17924	3.8
217.15910	8.9
217.19524	4.7
219.21199	2.2
223.14810	3.7
225.16403	7.3
227.18007	3.3
229.15955	7.0
231.17503	2.6
237.16377	3.6
239.18007	7.1
241.16054	2.8
243.17682	2.9
243.21138	2.7
251.18071	5.5
255.21271	2.2
257.19165	4.1
265.19489	4.6
269.22607	3.6
271.20187	1.9
279.20984	3.8
293.22491	2.1
311.23697	3.2
403.33548	39.6
404.33655	2.1
421.34705	100.0
422.35007	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	421.258
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
50.60978	1.3
51.51355	1.1
53.03948	3.2
55.01871	6.3
55.05506	21.1
57.03434	8.0
59.05003	3.0
62.73534	1.3
65.03938	3.0
67.05499	79.5
68.05836	2.4
69.03429	5.7
69.07053	11.7
71.04985	5.3
72.95282	1.3
79.05483	33.2
79.05948	1.6
81.03413	20.2
81.06573	2.5
81.07053	38.9
82.07401	1.6
83.04977	8.5
83.08598	13.2
83.33103	1.2
85.02882	6.5
85.06544	3.9
91.05472	45.1
92.05814	1.4
93.07034	24.6
95.04963	40.8
95.08597	23.9
97.02860	3.1
97.06531	4.2
97.10155	9.0
98.21592	2.8
99.08076	1.9
103.05472	1.8
105.07026	24.6
107.04942	21.5
107.08589	11.5
109.02889	1.4
109.06508	4.3
109.10151	49.2
110.60326	1.2
111.04457	1.7
111.08064	5.4
115.05444	2.8
117.07007	10.1
119.08561	22.6
121.06479	13.4
121.10121	8.1
123.08086	5.4
123.11708	1.8
125.09622	6.8
126.13105	1.3
127.03866	1.8
128.06226	1.4
129.07008	9.1
131.04955	2.5
131.08553	14.5
133.06480	6.1
133.10103	13.1
135.08044	5.9
135.11702	3.1
137.09622	8.1
141.07008	3.2
142.07782	2.7
143.08571	5.2
145.06490	2.2
145.10133	8.4
147.08023	12.4
147.11638	8.6
149.09639	4.5
155.08537	2.6
155.10669	2.6
157.06494	1.7
157.10132	13.0
159.08115	3.4
159.11632	6.4
161.09665	4.9
163.11209	7.5
167.08531	2.5
169.10132	4.0
171.08118	3.8
171.11737	2.7
173.09599	2.5
173.10315	1.5
173.11716	12.8
173.13048	1.9
175.11136	10.7
177.12785	2.7
181.10352	1.6
185.09668	4.9
185.13188	1.9
187.11192	2.6
189.09164	3.2
189.11267	5.1
193.12250	15.2
195.11807	1.7
199.11200	4.1
201.12752	2.2
203.10767	3.5
203.12720	1.6
205.12234	2.8
207.13713	1.6
211.13298	1.8
213.12724	1.6
216.41393	1.4
223.13356	2.8
224.11906	2.4
225.12672	2.5
231.13835	2.5
233.15340	1.9
239.14371	4.5
241.15907	28.0
249.14803	7.6
259.16998	2.4
278.77484	1.5
301.21616	4.8
311.19818	7.8
319.22580	1.7
329.21075	51.4
347.21939	8.8
365.23227	2.2
377.23099	1.4
385.23621	4.3
403.24783	41.1
404.25238	1.7
421.25934	100.0
422.26263	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	421.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82314	0.7
51.39002	0.6
55.01859	3.3
61.02911	1.3
68.99783	1.9
69.03427	1.7
70.06561	0.9
71.60172	1.1
76.08229	0.6
79.01849	1.5
79.05478	0.9
81.03402	1.2
81.19201	0.7
85.02872	1.3
86.06046	2.9
91.05484	1.7
97.02870	1.4
99.04354	0.7
105.03419	0.7
107.04912	1.2
109.02869	0.8
119.04923	5.8
123.04420	28.2
124.04726	1.7
135.04391	1.9
137.02344	3.0
138.94165	0.8
139.03868	2.2
141.01845	7.3
141.05437	0.9
147.04404	17.4
148.04698	1.2
149.06007	1.0
151.03925	1.8
153.01768	3.9
155.03389	0.8
161.05887	1.1
163.03888	2.2
165.01826	81.1
165.05475	8.3
166.02151	1.5
167.03389	0.8
167.07059	0.7
173.48950	0.7
177.05443	4.9
178.05792	3.8
179.03416	1.8
179.06934	0.7
181.01274	0.7
183.02878	100.0
184.03261	2.0
187.03802	1.0
191.03384	32.6
191.14369	0.8
191.65303	0.7
193.04900	1.4
195.02936	0.8
197.09818	0.7
203.03395	3.1
205.04971	2.1
207.02859	1.1
219.06551	2.2
220.06848	3.0
221.04402	4.1
233.04439	57.3
234.04745	1.6
245.04491	2.3
250.10770	2.5
251.05492	34.6
251.11037	4.9
252.05780	1.2
263.05460	0.9
267.04642	0.9
269.06314	0.8
289.45178	0.8
295.21411	0.8
312.09341	1.1
317.06561	6.1
330.10501	0.7
343.08154	11.6
352.42960	0.7
385.09116	4.1
385.14301	1.6
403.05380	1.4
403.10159	13.5
403.15781	9.9
404.10764	0.9
421.09525	2.9
421.16394	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	421.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	2.0
57.03419	0.5
61.02911	1.7
61.05894	0.4
61.82922	0.6
67.04250	0.9
69.03425	3.9
70.06566	1.0
71.04990	0.8
71.60551	0.9
72.08138	0.6
73.01156	0.7
73.02896	0.6
74.00655	3.8
81.03407	2.1
84.04473	1.2
85.02901	10.0
91.05452	0.7
95.04986	0.6
96.04485	1.4
97.02879	4.8
97.03874	0.6
98.97585	1.9
99.04430	0.7
100.02194	62.6
109.02859	1.1
110.06015	1.3
110.97556	0.5
111.04442	0.7
114.05521	3.9
115.02118	0.6
116.98615	1.8
118.03217	4.1
119.01877	0.6
119.04906	0.9
121.06539	0.6
123.04419	3.6
124.29087	0.5
126.03773	0.6
126.05537	0.7
127.02092	1.5
127.03896	2.8
134.99640	1.1
135.04451	0.6
137.05937	1.6
138.05492	1.6
139.03880	2.1
143.01601	4.2
143.03362	0.6
145.04922	2.1
146.02695	100.0
146.99602	0.9
147.03221	0.8
147.04356	2.8
153.01799	4.4
156.06538	1.6
161.01233	0.8
161.03062	0.6
161.04718	0.5
163.03990	0.7
165.01855	0.6
167.06985	0.6
168.04839	0.7
170.02705	1.3
170.06369	0.7
171.01100	19.3
171.06653	0.9
175.93071	0.5
177.00732	1.5
180.06567	1.4
183.02831	0.8
183.06531	1.4
196.04305	0.9
203.03784	0.7
208.89980	0.6
212.03708	0.8
213.06889	10.5
219.01761	0.8
223.05939	0.5
237.02888	2.7
241.06665	0.6
255.03886	0.6
255.08002	0.7
258.09683	0.7
259.07471	37.8
260.05576	3.0
260.08209	0.8
274.09378	1.2
276.10788	2.2
280.07187	0.7
301.08551	0.7
321.09018	0.5
321.58774	0.6
375.12042	1.7
421.12939	10.6
421.18103	1.0
439.55728	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22019	0.4
52.63401	0.5
53.03956	0.4
55.05515	1.4
55.47166	0.4
56.17966	0.3
57.03425	0.4
57.07071	0.6
61.02922	0.6
66.09301	0.4
67.05513	0.9
69.03426	1.4
69.07065	3.3
69.33262	2.0
69.33692	2.2
70.23460	0.4
71.04991	1.6
79.05521	1.1
81.03415	0.9
81.07056	8.0
83.08625	3.7
85.02902	4.5
91.05437	0.4
93.07043	3.7
95.08604	12.1
97.02894	1.6
97.10146	0.5
98.68935	0.4
105.07036	1.1
107.08592	13.4
109.10158	3.3
121.10143	21.9
122.10467	0.5
127.03898	0.9
128.36984	0.4
135.11693	7.0
137.13249	8.4
145.04958	0.7
149.13292	2.3
153.01843	1.5
161.12715	0.4
177.16382	100.0
178.16681	2.9
180.08662	1.6
195.17438	7.5
223.16924	82.6
224.17268	2.5
241.17978	16.8
242.18498	0.5
301.15189	0.4
414.64532	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01925	0.8
53.03939	1.1
55.01870	2.7
55.05506	4.9
57.03434	1.7
57.07069	1.4
61.02906	0.9
65.03938	0.8
66.19764	0.7
67.05499	7.0
69.03423	1.8
69.07064	5.6
71.04990	2.2
71.59104	1.3
71.59566	1.4
73.02863	0.9
79.05479	2.9
80.33755	0.8
81.03417	1.7
81.07059	8.9
83.04966	1.5
83.08616	2.9
85.02898	7.1
85.06541	1.5
91.05456	3.0
93.07034	3.9
94.63164	0.9
95.04963	4.2
95.08599	12.8
96.08949	1.5
97.02888	2.7
97.10162	2.7
103.05448	4.8
104.15989	0.9
105.07040	3.6
107.04987	1.9
107.08573	5.7
107.37261	0.9
109.02856	2.0
109.06507	0.9
109.10141	14.4
111.04474	1.4
111.08062	1.2
111.11713	1.1
119.08556	2.6
121.06458	1.3
121.10144	5.3
123.04418	20.1
123.11698	7.7
125.09615	1.3
127.03938	1.6
129.07011	1.4
131.04924	10.2
131.08536	1.6
133.06461	1.1
133.10115	1.9
135.11674	6.8
137.05959	1.1
137.13255	10.2
139.03897	16.3
145.04994	1.6
145.06242	0.8
145.10043	1.2
147.08121	0.9
147.11671	1.0
149.13226	4.7
151.03914	2.6
151.14850	1.9
153.01820	2.4
153.12747	1.0
157.10133	1.0
159.08078	2.0
161.09560	1.0
165.16318	1.8
167.07040	3.5
168.07433	1.8
171.08011	1.6
177.05475	1.7
178.05930	1.1
179.17947	3.9
181.04982	2.2
182.05299	1.6
191.07082	1.5
197.09654	2.0
199.11215	3.5
205.19496	16.5
209.07997	1.3
210.08394	1.3
210.10223	1.7
214.13449	1.3
223.20555	100.0
224.20891	2.9
225.12727	3.8
239.14326	4.3
240.15012	5.1
241.15863	2.1
241.21638	14.5
254.66554	0.9
258.16058	1.7
268.06064	7.1
269.15570	1.1
273.07709	1.2
274.30908	0.9
329.21222	2.4
331.11453	1.1
392.27151	0.8
402.16101	2.1
403.24875	1.8
411.37686	1.0
421.26050	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	420.186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38125	1.3
55.01868	4.5
57.03440	9.9
61.02929	12.3
68.05239	1.3
69.03433	23.0
70.66025	3.5
70.66423	2.6
71.01335	3.8
72.02809	1.4
73.02914	69.5
75.63078	1.4
81.03416	2.8
85.02901	51.7
87.04470	3.9
90.83410	1.4
91.03932	2.7
91.05479	100.0
92.05780	1.8
97.02888	59.2
97.03519	3.2
99.04400	2.2
103.03935	3.5
105.07030	3.5
109.02884	3.6
115.03925	27.2
117.07051	1.8
121.17278	1.4
123.04449	3.5
127.03911	21.5
129.07018	2.5
133.04971	29.1
133.06474	6.9
133.07445	1.5
145.04961	31.2
145.06268	2.1
145.06467	2.9
150.07610	3.4
157.06470	4.0
161.04459	2.5
163.06017	15.9
171.07959	1.6
175.07591	2.2
187.07570	3.1
193.04898	1.7
205.08595	4.0
217.08638	3.3
223.06079	6.3
235.09729	2.2
241.07124	6.3
250.41946	1.5
253.10774	5.1
259.08170	10.8
271.11636	2.5
277.09189	2.8
295.10248	4.3
347.11490	1.5
359.81296	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35792	2.9
53.03939	4.9
53.43219	3.2
55.01863	9.7
57.66353	2.9
65.03941	5.9
67.05492	5.8
69.03417	7.7
70.29218	2.9
70.52552	5.7
70.52942	6.7
71.05005	5.2
71.76159	3.5
72.08157	3.6
74.87672	3.2
79.05496	12.5
81.03421	4.1
85.02891	13.0
86.09728	4.4
91.05483	12.0
93.07037	9.1
95.04967	33.1
95.08582	5.1
97.02873	7.2
103.05485	11.3
104.39925	3.7
104.55641	3.9
105.07025	13.8
107.04960	22.2
107.08606	10.7
109.06513	4.6
110.07158	15.3
110.48009	3.4
111.04397	5.6
115.05459	7.9
117.03131	3.7
117.07019	11.9
118.06561	8.9
119.04939	6.9
119.08579	13.4
120.08132	6.4
121.06506	8.7
121.10136	7.2
123.04409	59.3
123.08088	6.7
125.06004	8.4
129.07043	4.9
131.04926	8.3
131.08578	7.1
133.06459	6.4
135.04414	4.6
135.11684	4.4
136.05118	4.9
136.07561	3.9
137.06004	12.5
139.03915	11.4
140.04684	7.0
141.05472	5.2
143.04930	4.5
145.04982	3.8
145.06505	22.0
146.06003	12.4
147.04349	7.6
147.08040	5.5
149.06023	7.4
151.03905	4.1
152.04732	4.3
153.05493	12.6
154.06281	10.0
155.07039	23.3
156.05728	6.0
156.54643	3.9
157.06509	8.4
159.08087	8.8
159.11771	6.3
160.05180	4.4
161.05997	16.0
163.03906	7.9
163.11263	5.8
165.05473	6.8
165.09143	4.5
167.03432	4.6
167.07045	100.0
168.07826	32.2
173.06000	30.6
175.07573	8.0
177.05527	11.3
177.12781	13.2
179.07056	5.4
181.04974	38.1
182.05298	6.3
182.09422	9.7
183.06535	40.3
184.07306	17.7
187.07555	7.0
189.08995	4.8
190.06255	15.2
191.07089	9.4
192.07767	11.7
193.08632	9.4
194.09326	6.8
195.06483	6.6
202.06184	5.8
203.07031	5.4
204.07823	4.6
205.08556	34.5
205.12263	11.0
207.10114	6.4
210.08780	20.2
217.08600	49.9
218.09320	12.6
219.08124	4.5
219.10190	10.2
220.10745	8.9
221.08115	11.2
223.13235	32.1
224.06905	7.3
235.09633	9.2
236.10370	6.7
238.12036	9.4
241.08765	6.2
241.14261	6.1
248.10422	10.5
249.09105	4.5
249.11359	7.6
258.07599	8.5
259.13715	5.5
264.07764	4.5
266.11575	8.9
269.08060	5.6
279.10266	6.4
307.09543	9.2
339.12128	9.1
344.12408	4.3
353.14050	3.5
359.14914	4.1
371.14917	34.3
385.16660	4.5
387.14542	10.2
389.15622	7.3
402.16635	14.1
403.17361	4.1
405.15735	3.7
420.17709	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	420.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.01875	4.2
55.05505	1.8
58.06581	2.5
60.04513	1.8
62.41386	1.1
67.05534	1.1
68.99789	2.7
69.03428	2.6
70.06596	11.3
74.06073	6.1
75.12602	1.2
81.03455	2.2
81.07046	2.3
84.04506	2.8
84.08147	1.8
85.02893	3.4
86.06062	36.5
91.05461	2.7
93.07080	1.5
94.06557	6.9
95.04961	3.3
97.02845	1.6
100.07627	8.0
105.57952	1.2
107.04972	3.3
108.08123	1.8
112.07603	14.6
119.04933	6.2
121.06503	6.1
123.04418	50.5
125.02303	1.5
126.09176	3.0
130.08604	1.6
135.04413	4.3
136.07515	1.5
137.02354	1.9
137.06003	2.3
139.03917	5.4
141.01860	1.8
141.05421	8.1
145.06487	2.5
147.04405	18.0
149.05956	10.0
151.03897	11.2
153.01813	3.8
153.05484	2.9
159.04463	1.6
161.06015	2.4
163.02652	1.2
163.03914	5.6
163.07568	6.1
165.01820	19.5
165.05466	16.5
167.07066	1.3
173.05972	7.0
175.03940	4.5
176.04643	1.7
177.05460	81.7
178.05809	1.8
179.03357	1.9
179.07037	2.0
183.02887	20.0
189.05460	4.0
191.03375	7.2
191.06993	10.2
193.04932	2.4
201.05403	8.1
203.07001	2.9
205.04955	1.6
207.06493	2.1
209.15332	1.5
217.08664	1.5
219.06511	49.1
223.13335	2.6
231.06528	3.3
232.09644	15.0
233.04456	11.0
246.52536	1.3
250.10739	84.5
251.05492	5.8
258.13385	3.7
262.10718	2.9
268.11874	1.6
285.07654	3.2
303.08569	3.1
311.09109	4.1
317.10300	1.4
324.65964	1.4
329.10083	5.8
343.08127	2.7
353.10114	4.4
366.13293	2.1
371.11224	9.4
384.14468	13.8
402.15457	100.0
403.10315	2.5
403.15753	3.3
420.09009	20.0
420.16486	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49575	1.4
53.03936	3.8
55.01870	4.1
57.03440	2.2
63.63598	1.9
67.05489	2.0
68.99760	1.7
69.03408	6.3
70.06578	7.8
71.59403	1.4
73.02916	2.1
78.04687	2.0
79.05475	4.5
81.03403	2.5
81.07055	1.7
82.54876	2.1
85.02882	5.0
87.04430	2.1
87.86343	1.6
91.05465	11.1
93.07047	1.8
95.04957	40.2
95.08592	5.1
97.02878	5.5
98.09666	3.2
103.05439	2.6
105.07025	3.7
107.04957	13.3
107.08588	3.2
109.02851	3.9
109.06519	3.3
110.07162	3.5
111.00761	2.2
111.04439	2.9
115.05437	7.2
117.06998	15.4
119.04973	2.6
121.06494	3.9
123.04415	58.5
123.11641	2.3
125.05974	5.2
127.03870	1.8
128.06223	2.3
129.06984	6.9
131.04861	3.8
131.08566	2.9
132.05678	3.6
133.06474	2.1
135.04482	4.2
136.07643	2.6
137.05960	16.4
139.03882	5.3
140.04657	10.5
141.05449	4.4
145.06467	33.4
147.04413	4.5
149.05954	3.6
149.88580	1.8
151.03882	4.1
153.01883	10.5
153.05424	15.1
154.02167	4.1
154.06210	6.2
155.07053	26.9
156.05647	12.2
157.06519	8.7
158.07249	3.8
159.08003	5.2
160.05263	3.8
161.05960	3.8
163.03893	2.0
165.05461	4.2
167.07018	69.0
168.07692	6.0
169.04907	5.0
169.06448	2.7
171.08025	2.1
173.05972	41.1
173.07344	3.8
174.06602	2.2
175.07542	6.3
177.05479	7.3
177.09209	2.1
179.07056	3.5
180.05740	2.2
180.07843	3.4
181.06535	3.6
181.08533	2.9
182.09363	9.1
183.06517	83.1
184.05424	2.8
184.07297	27.9
185.06007	2.4
186.06612	2.8
187.07584	11.0
189.05338	3.2
189.09117	5.7
190.06253	28.4
191.06940	3.9
192.07794	6.0
193.08621	2.0
197.05952	2.5
197.11635	2.8
198.06702	2.8
199.07527	3.3
202.06207	10.1
203.06964	15.1
203.08580	1.9
204.07643	3.1
205.08577	42.8
205.12114	2.9
208.08768	2.6
209.05965	2.0
210.08804	16.0
211.07440	1.8
213.09059	5.1
215.06871	2.3
217.08571	100.0
218.07240	3.8
218.09285	19.8
219.08054	5.0
219.10033	3.9
220.08879	2.1
220.10924	8.5
223.09534	2.9
223.98700	2.0
225.09082	2.2
226.06241	2.7
230.09386	5.7
233.09564	7.5
234.08804	5.0
235.07462	4.1
235.09668	5.5
236.08249	5.2
236.10426	2.2
238.12012	12.5
241.08560	10.3
247.07475	5.3
248.08179	4.2
248.10446	22.6
249.05325	2.0
249.08896	4.3
249.11160	6.5
251.06996	1.9
251.10670	2.4
261.09183	6.9
263.06976	3.1
264.07751	9.5
265.08682	5.6
266.11499	6.7
268.11017	2.1
269.08148	3.2
271.06403	2.1
271.09473	2.6
276.07736	2.5
277.08606	5.8
278.09277	4.4
279.10101	10.9
281.08121	2.6
289.08417	2.6
293.08234	3.7
293.11667	5.6
294.08786	1.9
307.09564	16.1
308.10071	3.5
309.11115	2.6
311.09583	2.3
311.12781	7.9
313.51147	1.8
315.08731	4.5
321.11160	5.7
325.10532	4.0
327.12253	2.1
329.10175	8.3
330.10999	1.9
337.10724	2.1
338.11383	3.1
339.12241	16.5
341.14056	2.0
344.12418	9.8
353.13733	7.0
356.12305	3.1
369.13254	2.3
370.13962	4.5
371.10416	3.8
371.14865	53.1
372.15125	5.1
384.15543	5.4
387.14560	6.7
389.16016	2.4
402.16449	18.1
420.17426	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	420.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.01857	3.6
56.05031	1.8
56.96544	2.5
57.03431	7.6
57.59094	1.2
58.06589	1.5
58.99574	5.0
60.05630	3.9
61.02908	1.9
65.03933	3.3
67.05484	3.7
69.03423	11.4
70.06567	3.2
71.04988	6.2
71.05318	0.9
72.08142	1.9
73.02902	2.5
74.00650	2.3
74.06082	1.9
76.02221	7.4
76.04000	1.4
76.07612	3.4
79.05466	1.4
80.04991	3.0
81.03393	3.6
82.06578	1.9
83.04980	1.3
83.06081	2.5
84.04036	1.9
84.04499	28.1
84.08107	1.5
85.01139	1.5
85.02898	17.9
85.04011	2.2
85.06538	1.6
86.06072	5.2
86.99028	2.6
88.02196	2.5
91.03957	1.4
91.05451	1.7
93.05805	1.2
94.06553	1.5
95.04964	12.6
95.06083	1.6
96.04463	1.7
96.08094	1.3
97.01115	12.7
97.02892	8.6
98.00644	1.7
98.97571	4.2
99.02665	5.0
99.04442	2.2
100.02161	1.4
101.10744	1.2
106.04988	1.9
107.04913	1.4
108.04453	4.0
108.08105	4.9
109.02854	1.9
109.06516	1.4
110.06056	1.3
110.07151	1.9
112.02141	1.7
112.03954	2.0
112.07578	3.2
113.05973	1.4
114.03748	15.6
115.03955	1.6
116.01667	17.2
116.05313	11.0
116.07074	1.7
116.98600	4.9
119.01900	3.1
123.04424	11.3
124.07581	1.5
125.04195	2.3
126.03716	8.9
126.06612	5.5
127.01186	2.1
127.02134	44.3
127.03773	6.2
128.05301	4.1
128.98593	1.2
129.06601	2.5
130.04994	8.4
131.04507	1.4
133.06467	1.2
134.99651	2.0
136.07553	4.9
137.08318	11.1
138.05490	2.4
139.03894	3.1
139.55312	1.1
141.02409	1.1
142.03226	2.1
142.06850	5.5
144.01091	2.9
144.04791	1.8
145.03326	2.0
145.04930	4.4
146.02628	2.2
147.04393	4.1
151.03891	2.1
152.05313	6.4
153.01828	8.7
153.03716	3.3
154.06866	2.4
157.03455	1.4
158.99657	1.9
159.02187	1.3
161.01169	2.2
162.02182	7.9
163.03810	1.8
165.01837	2.2
165.05461	3.0
170.06337	73.2
170.99712	1.3
171.06627	1.6
173.02815	1.7
177.00703	1.4
177.03265	4.5
177.05469	8.7
179.04811	3.8
180.04805	1.8
183.02841	2.1
183.04935	1.4
186.04556	1.2
188.07295	1.8
189.00589	1.3
189.05560	1.6
191.03632	2.0
191.07045	1.6
198.05804	4.3
199.07520	3.2
203.04010	1.7
219.01833	2.1
219.06601	5.6
220.07396	2.7
220.21356	1.1
227.08449	4.0
231.04335	3.6
232.07315	3.0
233.05991	2.6
237.02777	3.1
245.05191	3.5
249.04936	1.4
250.10706	7.1
255.08032	7.7
256.06262	5.2
258.02826	4.9
258.09879	1.2
258.14081	1.3
259.02328	1.5
259.07294	1.8
272.06546	1.7
273.09015	100.0
274.09149	1.8
299.05750	1.3
308.09045	1.4
322.10516	6.9
323.10330	1.9
327.09903	4.3
339.08060	1.4
345.11127	6.3
349.18948	1.1
371.11478	2.0
384.14230	1.5
402.15683	10.8
404.51257	1.1
420.08081	15.8
420.14444	4.7
421.05124	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64463	1.5
52.67370	1.6
56.96293	2.9
56.96560	38.6
69.07047	2.9
71.30084	2.2
71.30440	3.0
74.97614	2.1
76.47260	1.5
79.05474	1.9
80.20308	1.7
81.07056	3.8
81.95308	1.4
83.08573	1.6
93.07053	2.0
95.08580	5.2
105.06974	2.4
107.08624	1.8
109.10191	2.5
114.22486	1.4
115.00697	2.3
116.98592	3.7
119.08585	2.7
131.08504	1.7
133.01755	1.9
145.10075	1.9
147.04388	6.0
155.03796	2.9
159.03256	3.2
163.31773	1.7
165.02258	3.9
169.01788	2.1
173.04852	25.9
181.05077	1.9
183.03279	24.6
185.04854	11.1
187.06424	8.4
191.03963	2.7
191.05875	8.2
191.07274	2.9
193.05354	2.1
196.06450	4.3
197.01167	2.0
197.04796	2.5
199.06381	5.7
201.04343	28.0
203.05878	4.2
205.07501	5.7
206.04834	1.7
209.04849	37.1
211.04459	2.4
211.06303	10.7
215.05879	2.0
219.05266	2.4
219.99297	1.4
224.06111	2.6
225.07947	2.7
227.05893	74.6
228.06265	3.4
229.07481	53.3
232.06323	1.9
239.09537	2.2
245.06908	8.3
247.08310	14.9
249.07997	2.6
249.11552	2.7
250.07521	13.1
252.09084	6.6
256.26276	4.2
265.11127	20.7
267.09018	4.5
267.12674	27.3
268.12943	1.8
279.12985	2.0
283.12161	9.8
285.13715	30.6
288.12817	2.7
297.13950	1.7
306.14035	2.3
308.15384	6.4
321.13815	2.6
343.15976	2.0
359.18875	42.6
360.19272	2.3
377.19983	100.0
378.20282	6.0
384.47565	1.6
395.21075	1.8
400.21585	32.1
401.22232	2.5
419.21017	96.0
420.21228	6.9
420.31076	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.17
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.8
53.03932	1.8
55.01868	39.6
56.96544	0.7
57.62410	0.6
65.03931	5.8
65.20025	0.6
67.05501	3.1
67.81734	0.6
69.03432	0.6
69.07066	0.9
69.51896	2.3
69.52326	2.7
77.03920	1.2
78.04701	1.1
79.05480	5.7
81.03403	1.7
81.07057	3.3
82.04186	2.5
85.02914	3.9
89.03915	1.6
91.05466	7.3
93.03402	1.2
93.07029	2.5
95.04955	5.8
95.08569	1.6
96.27022	0.6
97.02835	0.9
97.06531	1.9
99.04488	0.7
103.05470	6.0
104.25744	0.7
105.03381	1.9
105.07027	8.9
106.04134	1.1
107.04939	10.3
107.08586	1.6
108.02089	1.6
109.02836	0.7
109.06526	0.6
109.10163	1.2
110.03639	2.7
111.04420	2.4
115.05446	4.3
116.06290	0.8
117.06989	1.4
118.04199	1.1
119.04945	5.4
119.08552	2.2
121.02869	7.8
121.06493	3.8
123.04418	100.0
123.11686	1.1
124.04692	1.2
124.05257	1.2
125.05982	1.8
125.09592	0.8
127.03825	0.7
129.07005	1.9
131.04916	5.8
131.08563	1.7
133.06479	8.9
133.10051	0.9
135.04387	4.6
135.11668	2.8
137.02313	1.2
137.05922	0.9
138.03120	1.6
139.03879	0.9
140.04646	1.4
141.06931	1.2
142.02585	1.8
143.06004	0.7
144.05768	3.1
145.06506	1.9
147.04401	19.6
147.07967	1.0
147.11667	0.7
148.05057	1.2
149.05966	11.9
151.03952	0.8
152.04689	1.7
153.01849	2.0
153.05478	1.6
153.55133	0.7
155.04849	0.7
155.06984	0.8
157.06467	1.6
159.04402	4.2
159.08043	4.4
161.05971	11.1
163.03862	6.2
163.07574	0.7
167.07034	43.6
168.07370	1.4
169.06448	1.4
169.07793	0.7
169.10100	0.7
171.06532	6.0
172.05113	1.4
173.05968	1.9
175.03938	1.2
175.07556	2.1
177.05458	35.5
178.06065	1.1
179.03287	0.9
181.04944	59.3
181.08424	1.5
182.05312	1.0
183.06496	2.2
186.06740	0.8
187.03954	4.7
187.07506	3.3
189.05446	2.8
190.06229	1.3
191.03395	2.4
191.07048	4.2
193.08591	7.4
199.07558	0.9
203.03366	5.6
203.07063	1.3
203.17967	1.9
204.07887	0.9
205.08585	8.6
207.06415	0.7
207.08223	1.1
207.10095	0.9
209.08076	66.3
210.08467	1.5
211.07477	0.8
215.03369	0.9
217.08693	1.3
218.07355	0.9
218.09390	1.1
219.10109	5.8
221.05991	0.9
221.08020	1.5
221.19019	1.8
223.07535	0.9
227.07112	0.7
235.07590	0.8
235.09569	3.0
238.10051	0.7
247.07500	1.0
247.09663	5.9
248.08293	0.8
249.11029	3.0
249.79546	0.6
251.06969	1.6
255.06592	4.8
261.05685	0.9
261.09180	0.8
263.10913	0.8
264.07990	1.1
265.10690	6.8
267.06473	1.7
276.07950	0.9
279.06528	1.6
279.10095	0.9
281.08011	1.6
297.07529	4.5
299.05392	1.5
307.06033	3.2
307.09525	1.7
309.07648	2.4
310.04865	0.9
315.08536	1.2
317.06693	1.1
323.08975	0.8
325.07047	30.5
325.10883	1.5
326.07349	1.0
330.11163	0.8
351.12436	1.6
369.13174	4.2
370.14337	0.9
371.14969	1.3
377.10229	6.3
378.10083	0.8
383.14868	1.8
389.15509	1.2
401.15924	6.8
414.41147	0.7
419.11206	14.5
419.16986	13.9
420.11566	1.2
422.80310	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	11.2
55.05508	3.0
65.03931	2.8
67.05496	3.6
69.03423	5.2
69.07068	3.3
71.61557	2.6
71.61946	4.1
79.05487	11.6
81.03424	3.3
81.07063	5.7
83.04974	3.9
85.02891	5.8
91.05463	8.7
95.04954	11.9
95.08601	3.4
99.43303	2.3
100.11221	2.7
103.05434	8.2
103.72247	2.4
105.07014	8.9
107.04956	25.7
107.08511	3.5
109.02863	3.3
109.93958	2.5
110.03636	2.3
111.11903	2.2
114.09198	2.4
115.05436	5.3
115.90090	2.1
117.07060	3.4
119.04941	10.7
120.08092	7.1
121.02967	2.5
121.08424	3.5
123.04416	26.6
123.11686	2.8
127.03890	3.4
129.06982	4.7
131.04933	3.5
131.08578	6.6
133.06468	5.6
137.05971	4.3
139.03877	11.6
141.06964	3.5
142.08560	3.1
144.05698	5.6
145.06479	7.4
145.11830	2.3
147.04382	9.9
148.05215	3.8
149.06004	4.9
153.01785	4.1
156.05696	4.2
159.08076	8.7
160.05029	2.4
161.05904	5.6
163.03891	5.3
163.07552	4.4
167.07030	73.7
168.07361	4.3
171.06436	3.0
173.06015	5.2
175.03905	3.9
177.05443	9.4
179.07077	3.1
181.04967	33.4
183.06520	5.8
187.07552	10.9
190.06223	3.2
191.07014	21.7
193.05046	3.0
193.08597	4.2
205.08592	17.0
208.05067	11.8
209.08035	17.0
210.14935	4.2
217.08601	14.3
219.08080	6.4
219.10135	7.5
220.08852	3.9
221.05980	3.1
229.05980	5.2
231.10162	6.3
235.09688	3.5
236.04663	4.5
247.07619	4.6
247.09724	9.5
248.08186	3.1
249.11189	10.3
254.05684	7.4
255.06502	3.7
257.05539	3.5
257.08035	4.1
257.17361	2.5
263.10785	5.3
265.10757	3.9
267.06546	4.3
268.03854	3.0
269.08044	23.7
273.07492	3.8
276.07675	4.2
277.08432	3.5
279.10406	2.8
282.05347	2.8
282.08737	5.8
291.10110	3.8
293.08228	2.8
297.07523	5.4
306.01208	2.7
307.09726	3.9
307.47266	2.9
310.08243	4.5
315.08582	77.3
316.09140	5.1
319.09521	4.5
323.12836	3.1
325.07187	3.2
330.10931	100.0
330.14853	5.2
331.11380	5.9
343.11676	7.1
351.12131	13.0
369.13306	10.9
383.14987	13.3
401.16095	20.9
419.17712	8.6
419.23187	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	419.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.01873	5.8
55.05498	3.0
57.03419	1.6
67.05499	5.8
69.03404	2.4
69.07043	4.5
71.36495	1.0
78.04663	1.5
79.05476	7.8
81.03396	2.7
81.07047	8.8
83.04988	1.4
83.08620	1.9
85.02896	3.1
85.06517	1.7
91.05484	8.9
93.07040	6.6
95.04971	5.8
95.08614	7.8
97.06496	1.7
98.20735	2.8
103.05450	7.8
105.06375	2.0
105.07021	19.6
107.04953	5.8
107.08572	4.2
108.05717	1.4
108.24569	1.1
109.02842	1.3
109.06500	3.9
109.10146	5.0
111.04463	1.2
115.05450	2.2
118.04144	16.2
119.04917	2.8
119.08567	3.8
121.06516	3.7
121.10125	2.3
122.07260	2.2
123.04430	3.7
123.08075	1.5
123.11718	3.1
124.05198	8.1
125.05974	1.2
131.04938	3.0
131.08553	3.6
133.02884	1.8
133.06485	23.7
133.10085	3.3
135.04440	2.5
135.08044	4.0
135.11647	2.1
137.05980	4.7
141.06914	1.3
143.08551	2.2
143.53172	1.2
144.05783	1.2
145.06499	1.8
145.10130	2.1
147.04285	2.1
147.11702	1.8
148.05141	1.1
149.02351	1.6
149.05975	2.5
149.13240	1.7
150.06793	7.8
151.03787	1.5
151.07527	4.0
153.05444	1.9
155.07072	1.5
157.10080	1.5
159.08000	3.3
159.11662	1.8
161.05949	4.8
161.09634	1.5
163.07545	2.6
165.05411	3.9
165.09125	12.5
167.07054	14.6
168.07358	2.8
169.66533	1.3
171.06418	1.6
173.02637	1.4
173.13290	1.6
177.05453	5.4
180.07727	2.0
181.04919	27.4
182.05446	1.7
183.06583	2.5
191.07036	5.5
191.14272	1.8
193.08588	100.0
194.09070	2.3
205.08603	1.8
208.05356	1.2
208.07355	5.0
209.08025	9.6
219.10187	1.3
225.07455	6.5
226.08331	2.9
229.19861	1.4
247.09724	1.5
249.11226	2.6
277.08569	1.5
298.97433	1.2
307.09439	1.4
315.08688	2.7
330.10864	5.1
357.13654	1.3
369.13284	2.9
383.25565	1.3
383.32980	1.7
401.15714	4.1
401.34131	2.4
419.16299	4.6
419.34750	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	419.1698
Annotation	CHEBI:67622
Peak:m/z	Relative Intensity
53.03929	3.3
55.01869	8.7
57.03410	2.4
65.03926	2.9
67.05490	4.9
69.03428	3.6
69.29472	17.3
71.04980	2.2
73.02901	1.7
79.05484	12.6
81.07038	4.3
85.02914	6.4
91.05476	12.2
93.04678	1.6
93.07065	1.7
94.04227	2.2
95.04973	13.0
98.97564	2.0
100.89214	1.6
103.05490	4.7
105.03408	2.7
105.07027	13.9
107.04945	40.3
107.08559	2.5
109.06532	3.4
109.10200	1.9
110.97562	1.7
111.04477	2.1
115.05450	6.0
116.06207	2.7
117.07026	4.3
119.04939	8.9
119.08622	4.2
121.02859	5.7
121.06521	3.7
121.10139	1.9
123.04420	85.9
123.08100	2.1
124.05250	5.1
125.06003	4.9
128.06213	5.3
129.07002	14.2
131.04915	8.4
131.08572	13.2
132.05679	2.5
133.02847	2.3
133.06468	13.6
133.10172	2.4
134.06857	2.0
135.04411	3.8
137.05951	5.1
139.03883	7.9
139.44644	2.0
140.04613	2.1
141.06982	6.5
142.07748	1.9
143.04918	2.0
143.08530	3.3
144.05685	11.2
145.06453	8.4
145.10040	1.8
147.04375	13.4
148.05128	1.6
149.05963	4.0
151.03903	5.3
152.04662	2.4
152.06172	1.9
153.05489	2.9
153.07088	1.8
155.07005	1.7
156.05696	4.2
157.06453	6.4
158.07295	2.4
159.04369	1.8
159.08037	22.4
160.05234	3.0
161.05981	17.5
161.09586	4.7
163.03894	5.8
165.05519	3.7
165.06966	3.0
167.05620	3.7
167.07033	75.8
169.07677	2.3
170.07288	9.4
171.06544	4.3
171.08052	6.2
173.06009	5.6
175.03925	3.0
175.07608	3.4
177.05513	6.5
181.04971	9.5
181.06400	3.0
181.08508	3.6
183.06534	25.5
185.05911	3.0
186.06668	2.4
187.03912	4.1
187.07536	18.9
189.05447	5.0
189.07048	1.7
189.09114	6.2
191.03471	2.6
191.07019	7.5
193.08591	16.6
195.06480	1.9
195.08090	2.2
198.06752	2.5
199.07587	5.2
202.06192	3.4
202.07869	2.4
203.03418	5.5
203.07030	6.2
204.07819	7.0
205.06656	2.9
205.08638	6.8
206.09424	2.3
207.08145	3.6
207.10196	2.0
209.08066	6.3
216.07832	4.9
217.08586	14.7
218.07390	3.2
218.09369	5.5
219.08029	10.4
219.10173	26.9
220.08905	2.9
221.07797	8.0
223.07617	2.1
230.06934	2.0
231.08032	6.0
231.10201	12.5
233.05914	3.9
234.06685	5.1
235.07629	5.6
236.08276	3.2
246.06818	3.7
247.07507	11.6
247.09792	5.0
248.08307	10.0
249.05655	2.9
249.09029	5.7
249.11217	89.5
250.11655	2.5
251.07051	3.7
251.10623	2.4
255.06567	4.1
259.07730	2.7
261.09256	1.8
262.06165	3.1
263.07022	7.7
263.10654	7.3
264.07843	12.0
264.10507	2.4
265.08517	6.0
267.06470	2.9
275.06961	4.0
276.07843	5.0
277.08566	10.9
279.06592	3.9
279.10150	10.4
280.07104	2.1
281.11606	2.3
287.05499	13.9
291.10159	6.3
292.07291	5.4
293.08234	3.4
295.09625	8.1
297.07669	3.5
299.09235	3.8
305.08014	2.3
306.08905	1.9
307.06360	3.1
307.09613	10.6
308.10394	5.1
309.11215	6.2
311.12778	5.0
315.08633	6.3
319.09659	2.1
323.09055	5.1
323.12891	4.7
324.09769	2.9
325.07074	22.0
325.10532	3.5
326.07523	2.2
330.11023	8.9
330.93472	2.0
336.09793	1.8
337.10751	6.1
338.11453	2.8
339.12265	3.7
343.11725	2.5
351.12216	4.6
353.10236	2.4
355.11655	3.2
356.12265	2.3
369.13354	47.3
370.13733	2.7
371.14938	2.9
373.16571	3.0
377.10199	3.9
383.14972	7.9
387.14343	5.2
389.15958	15.5
401.15961	100.0
402.16116	2.9
419.11099	6.5
419.16940	3.7
440.01587	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
54.10594	1.3
55.01868	50.2
55.05497	1.9
65.03933	10.9
67.05481	5.8
69.03424	3.8
69.07054	2.2
70.20728	3.3
70.21123	2.6
70.93909	1.2
71.04989	2.4
78.04674	1.5
79.05493	10.3
81.03418	1.6
81.07060	8.1
82.04176	4.0
83.08588	1.8
85.02894	9.5
85.06538	1.4
89.03928	1.9
91.05476	10.7
93.07033	5.7
95.04970	13.0
95.08598	4.9
97.06499	2.7
103.05460	11.8
105.03391	3.1
105.07023	19.6
107.04945	18.3
107.08570	4.3
108.02108	1.9
109.02872	1.9
109.10139	4.0
110.03652	3.9
110.07134	1.3
111.04411	4.5
115.05463	5.4
116.98602	1.4
117.07002	3.5
118.04156	3.5
119.04917	6.2
119.08581	10.0
121.02831	4.4
121.06471	7.3
121.10117	1.5
123.04418	87.0
123.11681	2.2
124.04678	1.3
124.05226	1.8
125.05956	4.9
127.11184	3.1
128.06197	2.9
129.06990	4.2
131.04897	12.2
131.08589	6.0
132.05675	2.5
133.06477	12.6
133.10109	4.3
135.04402	4.8
135.11652	4.7
137.02237	1.4
138.03085	2.4
140.04666	2.9
141.06981	2.9
142.02573	2.3
144.05679	6.7
145.06470	5.8
145.10098	1.9
147.04375	14.6
147.11670	2.9
148.05186	3.2
149.02328	1.9
149.05968	18.2
149.13208	2.1
151.03856	3.0
152.04662	3.1
153.01897	2.8
153.05472	2.7
157.06433	2.7
159.04369	4.3
159.08049	7.1
159.11673	1.7
161.05959	16.0
161.13255	1.4
163.03868	3.0
163.07474	6.0
165.05449	2.4
167.07019	76.6
168.07411	1.9
171.06541	10.1
172.05223	2.8
173.05992	4.0
175.03865	1.8
175.07500	3.1
177.05455	55.0
177.16336	1.5
178.06178	1.8
181.04942	92.6
181.08514	3.6
182.05345	2.2
183.06551	7.4
187.03882	1.8
187.07552	10.1
189.05414	3.1
189.08951	2.4
191.03534	2.8
191.07021	30.9
192.07768	1.8
193.08575	11.5
199.07507	2.5
203.03346	5.9
203.06955	2.9
203.14352	1.4
203.17941	4.4
205.08585	13.2
207.10156	2.1
209.08075	100.0
210.08321	1.9
215.07079	2.0
217.08595	4.0
218.09122	1.5
219.08000	4.0
219.10152	9.4
221.08057	3.0
221.18976	10.6
231.10147	1.9
235.07498	1.4
235.09666	4.5
239.20029	3.9
247.07458	1.8
247.09645	9.5
248.08374	1.6
249.09380	1.4
249.11247	12.7
255.06526	2.7
257.08023	3.0
257.21277	3.4
263.10583	2.0
264.07736	2.4
265.08286	1.7
265.10776	9.2
269.07977	2.0
276.07767	2.4
277.08530	3.2
279.10074	2.1
281.08087	2.4
291.10092	1.7
295.09439	2.0
297.07480	5.2
299.05533	4.0
299.09085	1.3
307.09650	3.2
311.12744	1.5
315.08542	3.4
323.09079	2.1
323.12698	1.9
325.07034	23.3
325.10828	1.0
330.10898	3.7
337.10748	1.5
339.12070	1.6
351.12225	2.6
353.50430	1.3
359.18848	1.3
369.13400	9.7
370.14206	1.5
371.14453	3.0
377.10107	3.5
383.15094	3.3
389.15771	4.0
401.15967	18.9
408.48819	1.5
419.11209	7.8
419.16843	19.9
419.21246	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1704
Annotation	Comazaphilone F
Peak:m/z	Relative Intensity
50.63618	0.5
51.02374	0.6
53.03955	2.4
55.01869	54.7
56.17126	0.6
57.03436	0.9
58.17139	0.6
58.92442	0.6
62.82972	0.7
65.03936	9.6
67.05508	5.1
68.99776	0.7
69.03432	1.7
69.07073	0.9
78.04730	1.3
79.05486	8.9
79.05904	0.8
81.03436	0.7
81.07068	1.7
82.04181	3.3
85.02911	6.7
89.03941	1.2
91.05475	6.1
93.03393	1.6
93.07046	2.7
95.04964	6.8
95.08628	1.3
97.06531	2.2
102.04755	0.7
103.05467	11.9
103.06133	0.8
103.59815	0.6
105.03380	1.1
105.07021	12.1
106.04214	0.9
107.04951	12.1
107.08581	1.0
108.02107	1.3
109.06479	0.8
109.10151	0.7
110.03679	4.6
110.07174	1.0
111.04444	3.4
115.05454	5.7
116.06225	2.3
117.03341	0.7
117.07024	2.7
118.04169	1.9
118.06617	1.0
119.04948	2.1
119.08620	1.5
121.02858	0.9
121.06499	7.4
121.10157	0.7
122.03671	0.8
123.00758	0.8
123.04416	12.8
124.05238	2.9
125.05992	4.5
125.14015	0.6
127.03973	0.7
128.06247	1.4
129.06992	3.8
131.04922	8.1
131.08565	5.2
132.05675	0.8
133.06496	13.1
133.10167	0.9
134.03676	1.3
135.04396	1.7
135.07999	0.8
135.11668	1.0
137.05907	1.6
138.03131	2.4
139.03944	0.9
140.04686	1.4
141.07021	3.0
142.02637	2.5
143.04968	0.8
144.05710	7.8
145.02820	0.9
145.06441	3.8
146.03609	0.7
147.04414	3.1
147.08067	1.3
147.11659	0.7
148.05196	3.6
149.05969	17.4
151.03937	1.1
152.04694	2.0
153.01833	0.9
153.05492	2.0
155.07039	2.4
156.05696	1.1
157.06506	1.4
158.07268	1.3
159.04463	3.0
159.08047	7.3
160.05144	1.0
161.05984	14.8
163.03897	2.7
163.07539	4.9
167.07034	71.2
168.07378	1.2
169.07674	0.8
171.06563	7.6
171.07970	1.0
172.05284	1.2
173.05991	2.7
175.07573	2.3
176.04590	1.3
177.05461	52.6
178.06096	0.7
179.06937	1.0
181.04951	95.6
181.08501	2.3
182.05342	1.1
183.06520	5.5
187.07521	8.7
189.05408	0.9
189.09013	1.3
190.06148	1.1
190.07719	0.8
191.07013	23.4
192.07695	1.2
193.08606	9.9
198.06784	0.7
203.03320	0.7
203.07019	1.2
204.07780	1.9
205.06659	1.2
205.08574	12.3
205.10504	0.7
207.10104	1.4
209.08081	100.0
210.08495	0.9
215.06911	0.9
217.08638	2.3
218.07304	0.8
218.09349	2.2
219.08069	2.8
219.10167	8.6
221.06079	1.0
221.08073	2.7
229.08536	0.8
229.19887	0.6
231.07912	1.2
235.07678	1.2
235.09633	4.1
236.08328	1.1
237.11235	0.9
239.19991	0.8
247.07428	2.0
247.09676	9.8
248.08165	0.9
249.05492	0.9
249.08730	0.7
249.11218	12.1
251.10748	0.7
257.07800	0.8
261.09186	1.2
263.06903	1.2
263.10706	1.1
264.07794	1.5
265.08340	1.1
265.10724	9.5
275.07227	0.7
276.07779	1.1
277.08508	2.0
279.10129	2.0
289.08545	1.1
291.10126	1.5
292.07312	1.2
292.10626	0.8
293.07959	1.8
295.09766	0.9
305.07904	0.8
307.09607	2.9
308.10303	1.5
309.11166	1.1
311.12836	0.9
323.12686	1.3
325.07120	1.3
325.10638	0.8
330.10809	0.9
334.71378	0.7
336.10004	0.7
337.10641	0.7
339.11963	1.0
341.13834	1.4
344.07394	0.7
351.12180	1.9
369.13293	10.1
371.14880	2.6
383.14658	2.0
389.16010	4.2
401.15942	15.6
419.11258	1.7
419.16779	23.0
419.22113	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1699
Annotation	Comazaphilone F
Peak:m/z	Relative Intensity
50.76118	1.1
53.03937	1.6
55.01868	34.5
65.03934	9.1
67.05506	4.6
67.33686	1.2
69.03424	2.4
69.51488	8.2
69.51899	1.9
78.04713	1.2
79.05489	9.6
81.03399	1.3
81.07056	3.8
82.04199	3.3
83.04982	1.4
85.02896	7.4
89.03905	1.5
91.05490	7.6
93.03403	1.2
93.07013	4.3
94.04167	1.2
95.04447	1.2
95.04944	7.4
95.08644	2.9
97.02907	1.8
97.06535	3.6
99.04449	1.4
103.05458	27.8
105.03392	2.7
105.07018	16.7
106.04145	1.4
107.04940	16.9
107.08616	2.0
108.02081	1.6
109.06494	2.4
110.03652	4.9
111.04478	3.3
115.05442	7.6
117.03401	1.5
117.07037	3.7
118.04166	5.0
119.04964	3.2
119.08610	1.9
121.06471	7.5
123.04424	12.2
124.05193	3.9
125.05975	4.4
128.06195	1.8
129.06985	4.7
130.04131	2.7
131.04912	21.7
131.08513	6.7
132.05693	1.7
133.02849	1.9
133.06494	11.5
135.04393	1.7
135.11729	1.6
137.06000	2.3
138.03130	1.9
139.03824	1.5
139.07545	1.3
140.04672	2.5
141.06989	2.2
142.02621	1.7
144.05655	5.9
145.06471	3.0
147.04405	2.9
147.07954	1.8
148.05171	13.0
149.05971	15.0
151.03943	2.3
152.04646	2.1
153.01872	5.0
153.05496	4.8
153.09230	1.4
155.07059	1.7
157.06503	2.6
159.08057	8.6
161.05992	12.2
161.09633	1.5
163.03842	3.0
163.07539	20.2
165.05347	1.7
165.37543	1.2
167.07030	64.8
168.07335	2.1
170.07294	1.4
171.06567	8.2
173.06033	4.4
175.07500	2.7
176.04634	2.3
177.05469	41.5
181.04944	99.0
183.06496	8.1
187.07538	9.4
189.05481	2.0
189.09167	2.2
191.07021	100.0
192.07515	1.7
193.08618	10.6
203.17924	2.3
204.07915	2.1
205.08592	9.4
209.08073	77.7
210.08423	1.6
217.08589	4.7
218.07382	2.2
219.08040	4.0
219.10187	10.1
221.05983	1.5
221.08098	4.7
221.19000	2.7
231.08067	2.2
231.10123	2.6
233.06049	1.3
234.06699	1.5
235.07504	2.5
235.09674	3.4
239.14308	4.0
247.07475	4.1
247.09666	7.5
248.08389	2.1
249.08827	1.8
249.11211	24.8
263.07034	2.4
263.10608	2.0
264.07751	3.0
265.10791	5.8
269.08173	1.3
276.07816	2.4
277.08624	3.6
279.10168	3.5
291.10175	2.8
293.08194	1.7
307.09625	3.7
308.10480	1.9
323.12927	1.9
330.10825	3.4
337.10605	2.2
339.12207	2.0
341.13751	1.8
351.12286	4.2
353.10440	1.5
359.15021	1.5
369.13287	13.6
383.14719	2.4
389.15927	4.9
401.10733	1.5
401.15945	27.4
419.16815	11.1
419.20932	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	419.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.01867	5.7
57.03434	3.2
65.03916	2.4
67.05493	5.8
68.99780	3.2
69.03421	4.2
69.55708	14.5
69.56121	3.7
72.68515	1.7
73.02917	4.3
78.04696	3.0
79.05479	12.1
81.07052	2.8
85.02889	3.5
91.05485	10.0
95.04971	9.7
98.20946	7.3
103.05453	4.2
105.07034	6.2
107.04952	29.8
109.06512	2.1
111.04421	3.0
115.05449	5.7
117.07046	1.8
119.04954	7.0
121.02873	8.5
121.06500	2.4
123.04425	57.3
124.05241	4.5
125.06020	4.5
128.06216	4.8
129.06993	10.1
131.04936	4.9
131.08578	15.9
132.05609	2.0
133.06483	4.9
137.05923	4.2
139.03943	2.8
141.06995	6.9
143.08565	2.9
144.05678	10.6
145.06485	5.8
146.38191	2.3
147.03389	2.2
147.04388	12.6
149.05902	2.0
152.04668	3.8
153.01865	2.5
153.05450	5.1
153.06908	1.9
156.05672	3.5
157.06467	8.1
158.07185	2.9
159.08051	22.7
160.05202	5.5
161.05968	8.6
161.09689	3.8
163.03949	4.1
163.07495	3.9
165.07103	3.2
167.07034	93.6
170.07233	4.2
171.06610	2.0
171.07922	4.3
172.05206	4.6
173.05983	7.8
174.06856	2.7
175.07558	3.0
177.05515	4.9
178.02747	1.9
178.06291	2.5
178.07724	2.5
179.06987	2.3
181.04968	14.3
183.06519	28.2
185.05786	2.0
187.03958	3.6
187.07545	22.4
188.94003	2.3
189.05513	4.6
189.09094	7.0
191.07045	7.5
193.08589	3.3
199.07486	2.0
203.03340	3.5
203.06985	5.5
204.07811	8.7
205.08678	5.1
206.07370	2.9
207.08034	2.5
209.08110	6.2
216.07837	3.0
217.08615	9.3
218.07278	3.4
218.09309	2.7
219.08066	10.4
219.10173	24.5
220.08803	3.5
221.06081	4.2
221.08080	6.9
231.08063	5.3
231.10182	8.2
234.06720	3.2
235.07513	4.6
236.08261	3.5
237.09187	2.9
239.07140	2.0
246.06891	2.2
247.07568	10.4
247.09668	4.8
248.08298	8.5
249.05559	2.8
249.09087	5.2
249.11224	100.0
251.06935	2.4
255.06567	2.4
258.07852	2.3
260.08258	3.1
261.09174	4.0
263.07031	6.0
263.10638	3.5
264.07852	7.9
265.08563	5.2
267.06400	2.7
275.07138	3.5
276.07761	5.9
277.08578	7.8
279.06741	3.6
279.10187	11.9
281.08133	4.4
281.11478	2.8
287.05487	46.5
287.08560	2.2
288.05814	2.8
290.09430	3.3
291.10226	6.3
292.07397	2.9
293.08011	5.4
295.09625	6.6
297.07581	7.2
305.08005	3.6
307.09619	12.9
309.10840	4.0
310.11975	2.5
311.12796	5.9
315.08527	6.2
319.09714	3.7
321.07758	3.5
321.11176	3.0
323.09280	4.3
323.12759	4.8
324.09866	3.2
325.07001	14.3
325.10431	2.8
330.10983	14.0
337.10773	3.6
338.11539	3.2
339.12259	5.3
341.13727	3.4
350.97693	2.3
351.12418	7.5
355.11823	4.1
369.13361	48.5
371.14774	4.7
373.16440	2.3
383.14792	3.6
387.14508	2.6
389.15939	19.6
401.15942	81.2
402.16452	2.8
419.11487	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01869	48.5
55.05497	1.3
61.05218	1.1
65.03931	9.8
67.05500	6.4
68.99785	1.1
69.03419	2.3
69.07059	3.7
71.04984	2.6
71.59939	1.9
77.03933	1.1
78.04721	1.3
79.05493	10.2
80.71211	1.3
80.84097	1.2
81.03410	1.5
81.07055	8.4
82.04194	4.0
82.17165	1.1
85.02906	8.0
85.06519	1.2
89.03923	2.0
89.32374	1.1
91.05479	8.4
93.07040	6.2
94.04182	1.1
94.70322	1.1
95.04962	7.7
95.08620	5.7
97.02897	1.7
97.06518	4.6
99.08105	1.5
103.05456	16.5
105.07028	19.8
106.04169	1.6
107.04943	17.1
107.08582	6.1
107.66412	1.0
108.02113	1.3
109.06512	2.4
109.10120	4.2
110.03660	4.8
111.04441	4.3
115.05479	5.5
116.98575	1.5
117.03332	1.2
117.06995	3.1
118.04150	4.1
119.04928	3.7
119.08589	5.6
121.02924	1.6
121.06517	7.9
121.10116	1.9
123.04414	30.5
123.11678	2.1
124.05266	2.1
125.05972	5.7
127.11212	3.6
128.06197	1.7
129.07002	3.4
130.07806	1.2
131.04919	14.0
131.08546	6.0
132.05705	2.3
133.02791	2.3
133.06503	14.7
133.10127	3.5
135.04402	2.7
135.11684	6.9
137.05974	2.3
138.03102	2.1
139.03902	4.0
140.04686	1.7
141.06972	3.5
142.02621	3.6
144.05685	8.0
145.02896	1.5
145.06490	4.2
145.10138	1.1
147.04411	5.3
147.08060	1.2
147.11678	2.7
148.05220	7.2
149.02348	1.6
149.05969	16.4
151.03932	2.2
152.04697	2.7
153.01851	3.7
153.05435	1.9
155.04811	1.2
155.07051	2.9
157.06526	2.0
158.07242	1.7
159.04449	3.1
159.08037	8.8
159.11580	1.2
161.05974	17.6
161.13292	2.1
162.06400	1.2
163.03822	2.2
163.07550	12.3
163.21230	1.1
165.05420	1.4
167.07036	73.8
168.07375	1.7
171.06543	9.7
172.05096	1.2
173.05960	4.3
175.07500	3.3
176.04790	1.4
177.05463	54.0
179.07077	1.5
181.04950	98.2
181.08495	3.1
183.06534	5.8
187.07552	8.1
190.06146	2.3
191.07024	50.6
191.08740	2.7
192.07660	1.8
193.08575	9.5
203.17909	6.0
205.08556	12.7
207.10104	1.6
209.08073	100.0
210.08334	1.4
215.06961	1.5
217.08583	4.1
218.07367	1.7
218.09297	2.4
219.08026	3.6
219.10162	7.4
221.08084	3.1
221.18996	7.2
231.08040	2.0
234.06792	1.6
235.07552	2.1
235.09662	5.8
239.20024	3.0
247.07611	1.9
247.09718	11.3
248.08170	1.3
249.11172	15.5
250.09535	1.3
251.07240	1.6
255.06508	1.8
256.06812	1.8
257.07751	2.2
257.21231	1.8
262.06293	1.6
265.10724	9.8
275.06985	1.7
277.08755	1.7
279.09973	2.3
283.19534	1.2
291.10086	2.4
293.08075	1.9
307.09634	3.2
308.10358	1.4
323.12750	1.6
325.07361	5.6
325.10437	1.4
330.10803	1.5
337.10776	1.3
339.12350	1.8
351.12152	4.8
369.13275	9.4
371.14847	2.3
377.10806	1.4
383.15021	2.7
389.15808	3.6
401.15918	22.3
419.11697	4.1
419.16898	23.4
419.22031	2.4
419.44305	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1546
Annotation	Itoside I
Peak:m/z	Relative Intensity
51.02372	0.5
53.03931	0.9
57.11385	0.5
69.03435	3.6
69.07053	0.6
69.54919	3.3
70.06596	3.0
70.06902	0.5
71.04988	0.8
72.08156	0.6
79.01833	2.1
81.03408	3.6
82.32819	0.5
84.08164	0.8
85.02900	6.3
86.06048	0.9
86.09667	0.7
91.05457	2.0
95.04980	0.7
97.02887	3.6
99.04403	0.7
104.25436	0.5
105.07009	0.6
107.01308	1.7
107.04917	0.9
109.02870	3.9
116.07087	1.3
121.02823	0.9
123.04453	3.2
125.02350	3.6
127.03907	8.8
133.06470	2.0
137.05980	3.1
139.03868	0.7
143.03380	5.2
145.04930	0.9
147.04391	0.7
151.03842	0.7
153.01819	100.0
154.02170	2.1
158.47073	0.6
165.09129	0.8
167.06958	1.3
171.02878	11.4
177.05484	1.6
183.10126	0.6
213.78195	0.5
219.06479	1.0
236.69644	0.6
250.10709	1.5
257.13889	1.3
266.10162	0.6
279.05093	0.7
297.05963	3.6
312.61206	0.6
315.07043	12.0
316.40103	0.6
378.29797	0.5
386.15659	0.8
402.15375	1.4
419.07428	1.2
419.19174	0.7
420.16690	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0969
Annotation	5,3'-Dihydroxy-3,8,4',5'-tetramethoxy-6,7-methylenedioxyflavone
Peak:m/z	Relative Intensity
55.01875	0.5
63.19262	0.4
67.05489	0.5
69.07066	0.5
70.17087	0.4
70.78800	0.8
78.40095	0.4
79.05515	0.4
81.07055	1.0
93.07036	0.9
94.75586	0.4
95.04976	0.6
95.08595	0.8
100.91079	0.5
105.06985	1.1
107.04910	0.9
107.08554	1.0
109.10138	0.5
119.08541	0.9
121.10152	0.7
133.10123	0.4
145.10078	0.6
167.07031	1.1
177.05499	0.6
181.04967	1.4
183.11647	0.5
186.03079	0.4
186.41144	0.4
188.04652	0.7
191.07123	0.6
202.02565	0.6
203.03325	0.4
209.08076	0.6
211.03970	0.5
214.02554	0.5
215.03377	0.9
216.04179	1.0
227.03326	0.6
228.04163	0.5
231.02849	0.7
242.02094	0.8
243.02937	0.5
244.03716	2.3
245.04451	0.5
247.02536	0.6
254.02112	0.6
255.02992	0.7
257.00650	1.2
259.02429	0.7
262.04913	0.5
270.01456	0.7
271.02347	0.7
272.00674	0.5
272.03098	2.6
273.00296	0.7
273.03998	0.6
275.01895	1.3
282.01572	1.2
283.02307	0.6
285.00269	2.8
286.01157	0.6
287.02005	0.8
289.03357	0.6
298.01001	0.7
299.01746	0.9
300.02652	3.6
300.99939	0.6
301.03494	1.2
302.00546	0.5
303.01376	3.4
305.06583	0.6
310.01028	1.6
311.01862	0.6
312.99829	2.2
313.03366	0.9
314.04031	0.4
315.01480	0.6
315.04993	0.5
315.08469	0.6
317.02896	1.1
318.03656	1.3
325.03473	1.3
327.01376	1.2
328.02130	8.4
328.99475	0.5
329.02805	3.0
330.03857	0.6
330.11115	0.6
331.00830	6.5
331.04327	0.7
340.99316	0.6
341.03033	0.6
342.03793	1.9
343.00742	0.5
343.04440	7.0
344.05286	0.9
344.98859	0.4
345.02390	2.1
346.03168	6.7
347.44772	0.5
356.01566	2.7
356.98572	0.5
357.06036	1.6
359.00308	6.8
359.04129	0.8
360.04718	2.1
361.01599	0.8
361.05566	6.6
371.03952	3.4
373.01843	1.1
374.02667	3.6
375.07120	10.4
386.06470	0.9
387.03418	1.2
389.05020	50.6
390.05234	1.3
403.06705	0.7
404.07373	25.1
419.09717	100.0
420.10016	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1334
Annotation	Pinocembrin 5-O-glucoside
Peak:m/z	Relative Intensity
52.94216	0.2
55.01859	0.9
56.31773	0.2
57.03416	0.3
61.02909	0.3
67.01852	0.6
67.05465	0.3
68.99792	0.6
69.03412	0.7
70.79845	0.7
79.05489	1.5
81.03420	0.4
81.07042	0.4
83.04980	0.2
83.08588	0.3
85.02887	2.4
88.39429	0.2
91.05466	1.6
93.07053	0.2
95.04974	0.6
95.08599	0.5
97.02879	0.9
99.04464	0.2
102.75297	0.2
103.05457	8.3
105.03326	0.3
105.07003	1.1
106.07346	0.3
107.04943	2.1
107.08613	0.3
109.02837	0.4
109.10172	0.4
111.00778	0.4
112.24065	0.3
115.05366	0.2
123.04379	1.6
123.11686	0.3
127.03942	0.4
131.04915	25.8
132.05266	0.7
133.06508	0.5
133.10150	0.4
134.10435	0.8
135.11693	0.2
145.04961	0.4
145.06467	0.4
147.08006	0.3
151.03874	1.4
153.01811	44.7
154.02121	0.9
161.09659	0.5
162.09966	0.6
163.03915	0.4
165.01845	0.9
167.07025	2.2
168.07416	0.3
169.07619	0.4
171.02873	2.8
173.05977	2.0
177.05458	0.9
179.03397	0.6
181.04930	2.1
183.02866	0.6
189.09111	0.3
191.03340	0.7
191.07059	1.9
193.12106	0.2
195.02827	1.4
209.04480	0.3
209.08022	1.1
215.07002	0.8
219.02856	0.3
219.10025	0.3
222.12068	0.5
231.03023	0.4
239.07027	0.7
249.11285	0.5
257.08060	100.0
258.08432	4.1
261.03864	0.3
269.08087	1.3
281.08228	0.3
299.09158	0.9
315.08527	0.4
323.09073	1.0
330.10782	0.4
335.09018	0.4
347.09161	0.3
369.13199	0.3
383.10901	0.2
389.15530	0.3
401.15848	0.4
419.16000	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.01859	2.8
55.05494	3.1
56.52506	0.8
57.03427	1.4
61.02892	0.9
64.36237	0.8
65.03925	1.9
67.05484	3.2
69.03426	5.5
69.07056	1.8
70.95947	1.4
70.96272	2.0
71.04973	1.6
73.02875	1.2
74.16763	1.2
78.04737	1.7
79.05489	8.6
81.03398	3.4
81.07056	12.9
82.07355	0.9
82.47440	0.9
85.02905	8.9
85.06535	6.3
89.03886	0.9
91.05470	9.8
93.07044	12.3
95.04953	3.4
95.08573	3.9
97.02901	5.8
97.06551	1.3
99.04435	4.1
103.05461	4.7
104.05791	1.1
105.03422	0.9
105.07025	81.6
106.07350	2.0
107.04967	5.0
107.08569	8.5
108.08870	1.0
109.06502	2.8
109.10146	2.4
110.03688	1.1
111.04429	1.7
111.08081	3.7
113.05996	9.5
115.05470	2.4
115.56517	0.9
117.06985	3.7
119.04935	3.4
119.08549	6.2
121.06493	7.3
121.10144	1.4
123.04414	6.8
123.08082	2.1
123.11683	1.3
124.05233	1.0
125.05962	1.5
127.03925	1.4
128.06198	3.4
131.04932	6.4
131.08528	2.0
133.06499	18.4
133.10118	76.3
134.10481	1.7
135.04483	1.2
135.08032	1.4
135.11661	2.7
137.05969	4.6
137.09633	5.0
139.03877	1.4
140.04514	1.1
143.08539	7.1
145.05074	1.2
145.06497	4.1
145.10110	3.1
146.07144	4.2
147.04366	1.9
147.08032	1.2
151.03922	1.6
151.07506	1.9
151.11122	2.0
153.01796	9.1
153.05217	1.2
159.08011	2.1
161.05940	3.7
161.09605	100.0
162.09973	2.3
163.07466	1.0
163.11160	8.0
165.01869	1.0
165.09093	3.6
165.12758	2.2
167.07025	40.5
168.07362	22.5
171.06554	1.3
171.07950	1.3
173.05951	5.1
174.06358	4.7
177.05415	3.3
179.10657	10.5
181.04948	20.3
182.05280	8.3
189.09096	33.8
191.07092	5.3
192.07391	3.4
193.08426	1.5
193.12236	45.2
205.08603	1.9
207.10112	6.8
209.08086	2.7
219.09996	1.3
221.11713	48.5
221.15228	2.1
225.11224	16.5
233.07941	1.7
235.09720	1.4
236.09988	1.3
239.12791	14.3
239.16447	1.2
249.11171	1.2
250.94530	0.9
256.15448	1.9
257.08057	17.1
277.72900	1.2
315.08582	2.1
330.10864	2.6
368.08069	1.4
388.14597	6.3
400.33008	1.4
401.16211	1.4
418.15833	19.6
419.11014	1.7
419.15903	2.1
431.56610	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.5
55.01858	0.5
55.05497	0.5
57.03419	0.8
61.02916	1.1
68.99736	0.4
69.03425	1.9
70.06627	0.5
71.04961	0.5
71.18947	1.0
73.93806	0.4
81.03407	2.6
84.08155	0.6
85.02898	7.8
87.04464	1.0
89.06028	62.2
93.07043	0.4
95.04985	0.5
97.02878	2.5
98.03257	0.4
99.04463	0.5
106.02895	0.5
107.07073	3.4
109.02867	1.2
110.06030	0.4
121.30185	0.4
123.04418	1.3
124.03968	0.9
127.03901	1.8
130.08603	0.7
133.08598	30.7
134.08916	0.6
136.03970	0.6
137.05917	0.5
139.03871	0.4
143.03435	0.5
145.04904	1.0
147.04387	0.9
151.03877	0.4
151.09641	3.0
153.01826	3.7
154.02121	0.7
161.71967	0.4
171.02771	0.5
174.59410	0.5
177.00565	0.5
177.05449	0.5
177.11186	5.1
188.83473	0.4
191.03374	0.4
191.14255	0.6
195.12221	1.7
221.13849	0.7
237.02719	0.5
239.14877	100.0
240.15181	1.5
332.97324	0.4
387.17435	0.5
396.71548	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	10.7
68.99809	1.3
69.03427	3.6
69.81224	4.5
71.01337	0.7
73.06560	3.2
85.02908	2.1
86.06062	100.0
87.04484	1.1
91.05475	8.3
91.07590	10.7
95.04973	2.0
98.20821	1.2
107.04960	2.5
107.08521	1.2
111.00799	2.0
111.04479	1.3
119.04932	2.2
121.02872	1.7
123.04423	71.2
124.04726	1.2
128.07082	10.6
135.04431	1.7
137.09639	1.5
139.02797	1.1
139.03893	27.4
146.08116	30.1
147.04411	6.7
149.02318	12.6
151.03911	1.4
153.01936	1.1
161.09630	1.0
163.03917	2.1
163.07547	1.2
167.07054	1.5
189.05495	2.0
189.12807	0.9
190.02632	0.8
193.08614	3.5
211.09717	1.3
221.08095	3.5
221.11696	2.1
225.14954	0.9
227.06905	0.9
239.09003	0.9
239.12784	1.2
242.14072	0.8
245.04401	1.3
255.06528	1.6
273.07571	23.4
280.11786	4.2
418.17624	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42387	0.7
51.29586	0.7
53.03928	0.8
55.01873	1.0
56.05025	1.1
56.96567	1.9
57.03424	2.4
58.06603	7.8
59.04999	4.8
60.47670	0.7
61.02923	2.1
64.78349	0.7
66.55714	0.7
69.03431	5.6
69.72249	4.7
71.01355	0.9
71.04992	1.0
72.08157	1.4
73.02901	2.0
74.06075	3.0
76.03996	1.8
76.07640	100.0
81.03422	2.7
85.02904	13.7
86.09733	0.7
87.04456	0.9
88.03972	0.9
89.06001	1.0
91.03985	1.0
97.02871	6.1
97.35249	0.7
98.97591	2.4
99.04457	0.9
101.02362	0.8
102.05542	1.6
104.07071	0.7
106.05019	1.5
109.02882	2.1
115.03925	2.1
116.98609	1.3
118.08689	0.8
118.25651	0.7
119.01890	2.2
119.04964	1.4
120.06582	2.8
123.04417	1.9
124.03942	7.2
127.03924	4.8
131.01950	1.2
133.03493	2.1
133.04979	3.0
133.08638	1.2
134.99660	1.1
136.07578	1.0
138.05479	4.7
139.03941	2.5
143.01906	1.0
145.03477	1.7
145.04944	2.7
146.99640	1.1
147.05162	1.0
153.01839	6.5
154.02187	0.9
155.01933	1.7
157.03470	0.8
159.05118	1.7
161.02934	1.8
163.06088	0.8
167.07031	1.5
171.05003	1.5
173.02933	3.5
175.04527	1.0
177.05774	1.1
179.12245	0.7
183.05057	1.4
185.06511	1.0
189.03932	3.6
195.07076	1.0
197.00755	1.0
198.98561	2.9
201.00705	1.1
203.04013	1.1
207.05025	0.8
209.00729	0.9
213.00189	1.1
219.01816	1.0
219.07170	5.9
221.05078	3.1
227.01639	2.6
227.03818	1.0
231.07140	4.7
233.08742	1.5
237.02914	1.9
238.10789	0.8
239.14955	3.1
245.05075	4.4
255.07162	2.3
256.11813	1.2
257.02670	10.3
257.05002	0.7
261.08328	1.2
263.06253	0.9
272.06586	1.1
273.08365	1.4
277.03491	1.5
303.01532	1.9
321.10333	13.7
373.49216	0.8
418.17029	3.2
419.07971	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	418.207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	1.1
61.02897	0.5
69.03421	1.7
71.52416	0.8
73.06550	0.8
76.03991	0.7
79.05510	0.7
81.03417	1.1
85.02890	2.2
91.05488	0.9
93.07020	0.9
97.02886	1.8
98.97549	1.0
103.05459	5.2
107.04945	2.0
109.02859	0.9
116.98611	1.1
120.08099	100.0
121.08414	1.5
123.04393	0.7
127.03865	1.1
131.04913	1.9
132.95663	0.4
134.99677	0.7
137.05978	0.8
139.03885	1.6
145.04927	0.9
146.99698	0.6
147.04468	0.7
149.05974	1.8
151.03874	0.5
153.01823	5.5
154.02286	0.7
166.08632	55.3
167.07074	0.9
167.08955	1.4
167.12074	0.5
171.06493	1.0
214.03983	0.5
229.66348	0.5
232.05009	0.9
237.02859	1.3
238.10811	0.8
247.04778	0.6
256.11868	1.4
257.15002	1.2
368.79358	0.5
406.80258	0.5
418.12314	0.8
419.15265	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06576	8.4
58.34632	7.4
58.85625	6.5
69.03431	11.9
69.07072	13.4
70.06602	45.4
71.61309	9.0
79.64272	6.6
85.02890	24.3
86.09710	14.8
91.05466	9.3
95.04929	9.3
96.04850	6.7
97.02931	8.0
105.07057	9.0
107.04941	25.4
109.02852	11.0
123.04422	49.8
127.03918	13.0
128.07048	9.7
136.21561	6.9
139.03870	10.8
147.04440	14.3
149.05881	8.2
150.67680	7.4
153.01817	100.0
163.07549	13.6
167.07051	33.1
177.05505	38.1
191.07031	9.9
193.08720	12.3
195.10150	16.9
203.07019	13.5
213.11240	50.5
219.06529	10.1
221.11665	10.7
234.11215	10.8
250.10487	10.8
256.19144	9.6
266.10217	20.5
266.13669	7.4
315.06998	11.3
329.74054	7.2
341.83899	8.3
385.15128	24.5
386.15952	13.0
388.31802	7.9
400.13666	7.9
418.18317	54.3
418.22992	7.3
419.17969	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	417.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76621	0.7
53.03945	0.7
55.05521	1.8
56.71949	0.8
57.07072	0.8
65.76805	0.8
66.36350	0.8
67.05504	3.1
69.03426	7.4
69.07066	5.8
69.96399	3.1
69.96816	1.1
81.07053	6.1
85.06541	100.0
85.97634	0.8
86.06875	1.3
88.17719	0.8
91.05479	2.0
93.07046	3.8
95.08608	11.2
97.02881	0.8
97.06529	1.5
105.07027	1.9
107.08579	6.6
109.10149	9.1
111.08078	30.8
111.11652	0.8
117.94930	0.8
119.08588	4.1
121.10117	5.1
123.11703	3.5
125.09572	1.1
131.08621	1.1
133.10162	5.4
135.11688	4.6
137.13321	1.8
143.08414	0.7
145.10086	1.2
147.03360	0.8
147.11639	2.0
149.09666	1.2
149.13248	2.4
152.52925	0.8
161.03531	0.8
161.13266	2.3
163.14850	2.2
167.07068	1.1
175.11151	1.2
177.16388	1.3
181.04945	0.9
181.12303	1.5
189.16409	0.8
191.18077	1.0
193.12204	1.7
205.19522	4.9
207.13777	1.3
211.13373	1.5
217.19615	1.3
219.20958	0.9
307.71521	0.9
399.32663	1.9
417.28656	1.5
417.33704	21.9
418.33817	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57991	0.6
70.17896	2.2
85.02869	0.8
95.11900	0.6
99.04441	1.0
107.04948	5.7
123.04417	2.5
138.05495	0.7
140.04924	2.7
154.06471	1.5
155.06012	14.6
166.06563	0.9
167.05940	3.8
168.06859	2.0
169.07594	26.3
170.06009	2.2
170.07967	0.7
179.06032	8.7
180.85823	0.7
181.05020	1.3
181.07605	2.2
182.06012	0.8
182.08383	1.0
183.05530	14.8
183.09152	2.0
184.07497	1.2
185.07091	7.4
186.07472	0.7
189.12534	0.7
193.07611	10.6
194.06050	1.3
195.05521	17.9
196.06287	9.1
197.07076	18.8
198.05542	4.3
198.07118	1.0
201.06599	1.6
207.05492	4.9
208.06310	1.3
209.07083	3.4
210.07823	0.8
211.05029	1.5
211.08562	5.0
213.06561	18.2
213.08618	1.1
221.07060	16.5
221.11649	1.0
222.07573	1.0
223.05011	2.0
225.06567	35.1
226.07050	1.4
227.11739	0.6
229.06052	16.6
229.08299	1.0
230.06320	0.7
237.06615	4.6
238.07303	4.7
239.04451	2.8
239.08116	20.5
241.05978	3.4
243.07658	5.1
249.06567	8.1
253.06050	5.5
255.07654	1.2
256.11581	1.3
257.05518	5.6
265.05905	1.0
267.07617	14.8
269.05548	2.5
271.07111	27.0
272.07431	1.7
277.06042	8.2
283.06970	1.4
285.08661	22.4
286.09048	1.1
289.49387	0.7
295.07095	24.5
296.07376	1.8
312.09692	1.9
313.08167	26.5
314.08414	1.7
331.09174	8.3
336.09750	1.1
340.09235	4.1
341.10046	0.9
353.10495	0.8
354.10754	2.6
358.10309	31.5
359.10651	1.1
364.09213	0.7
372.11902	4.0
382.10321	5.6
400.11349	38.0
401.11673	2.0
418.12390	100.0
419.12808	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01868	2.7
55.05513	7.4
55.05729	1.4
57.03429	1.4
57.07072	2.2
63.09042	1.3
65.03922	3.3
67.05503	11.1
69.07072	10.9
69.85995	1.4
71.08604	2.6
71.60476	2.4
78.04708	2.9
79.05502	8.9
81.07057	26.4
83.04984	1.7
83.08609	5.5
85.02896	2.0
85.06553	1.8
87.06389	1.6
91.05456	7.1
93.07033	6.4
95.04963	5.0
95.08599	24.5
97.06486	1.8
97.10178	3.5
103.05464	2.8
105.07051	7.7
107.04937	8.9
107.08586	6.5
109.06528	4.3
109.10147	14.2
111.04439	2.4
111.11702	2.4
115.05443	4.9
117.07006	6.4
119.08594	4.1
121.06493	3.0
121.10134	4.0
123.04418	5.5
123.11689	10.6
124.05217	4.1
125.05980	3.2
131.04919	4.3
131.08574	3.8
133.10133	4.4
135.08081	3.3
135.11707	2.1
136.05202	4.4
137.05965	21.4
137.13229	6.2
139.07538	1.7
143.08578	2.7
145.06485	12.5
145.10149	3.0
147.08101	3.3
147.11650	2.6
148.05167	2.9
149.09627	2.9
151.07544	26.3
151.14821	2.7
152.04623	1.6
157.06549	1.8
157.10139	2.8
158.07420	1.5
159.08098	2.8
159.11687	3.5
161.05959	2.5
161.09650	2.2
161.13254	2.1
163.07532	3.7
163.11188	1.4
165.05521	2.2
166.06247	6.2
167.07039	100.0
168.07426	2.0
169.10086	1.6
170.09840	1.4
171.06459	1.7
171.11697	2.8
173.05983	17.5
173.09612	2.1
173.13245	1.9
174.06723	2.0
175.14807	1.5
177.12701	2.9
179.07089	1.6
179.10709	1.9
181.04944	40.8
181.08546	14.3
183.11617	1.4
187.07466	2.2
187.11255	1.8
188.08287	3.5
189.09079	3.9
189.12729	1.7
191.06985	10.3
193.08510	1.7
193.10344	1.3
201.05424	1.7
201.09120	3.4
202.09866	2.6
203.10759	1.6
205.08607	4.9
205.12204	2.8
209.08142	1.8
211.07449	2.7
218.09392	1.8
219.08299	1.6
219.10223	4.7
219.13817	2.0
227.07011	1.8
229.15932	2.3
231.10162	7.5
233.08076	4.1
233.11794	1.8
235.09676	2.9
239.06993	3.5
239.10799	1.7
241.08560	2.2
242.09520	3.1
249.08974	2.1
254.09349	18.7
255.06552	4.0
255.10262	3.2
257.18988	3.0
261.11426	2.1
264.11615	1.9
269.08038	2.5
270.08850	12.7
275.10596	2.1
277.08740	2.1
279.10074	2.2
280.10883	1.7
282.08740	2.5
283.09698	5.2
284.10379	3.2
285.11179	17.6
291.10110	2.5
292.11002	2.6
293.08130	2.3
295.09799	1.8
297.11197	1.8
298.08643	2.1
298.11990	5.3
299.09009	1.7
307.09778	2.1
307.13257	4.4
311.09174	3.7
313.10660	32.4
319.13232	3.5
320.10367	2.4
323.12683	1.7
325.10721	3.1
325.25479	1.8
328.13040	84.1
329.13696	7.5
335.12708	7.2
338.15155	3.3
341.13754	8.7
350.15088	10.9
361.23575	2.1
366.14725	2.0
369.17416	1.7
381.16870	17.9
387.14392	15.5
399.18277	12.2
399.25131	2.2
399.32510	6.3
417.15378	36.3
417.26187	10.7
417.31210	2.0
418.15735	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	417.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03985	1.4
53.13013	1.5
54.53639	2.0
55.05505	2.2
57.03438	9.4
58.06583	2.0
59.05000	2.7
61.02917	2.1
68.05033	2.2
69.03428	4.6
70.06586	16.3
70.73018	2.2
70.73368	5.3
71.01362	2.0
71.04985	33.6
72.08167	3.1
73.02913	4.1
75.04472	12.0
79.05510	2.0
81.03415	3.0
81.07071	2.3
83.04964	6.6
83.07332	2.3
84.08128	2.8
85.02902	100.0
86.09714	3.9
87.04444	1.7
91.05473	30.5
93.07021	2.4
95.04945	1.7
97.02889	8.5
105.07020	2.8
107.04971	4.3
111.04442	4.8
123.04433	11.5
127.03921	5.8
127.04862	1.7
128.07085	4.8
129.05469	35.8
129.06949	2.2
133.06462	2.9
135.04399	1.8
137.05931	2.1
139.03918	2.5
145.05003	3.0
147.04420	4.4
147.06514	21.9
151.03885	2.2
151.07553	2.7
153.01793	3.3
163.03943	2.0
165.05487	2.5
167.06981	3.1
173.06129	1.8
175.03868	2.3
175.07675	3.2
177.05408	9.1
179.07053	2.5
185.05943	2.8
203.07022	5.6
231.06354	2.7
231.72366	1.6
234.11234	6.6
248.09241	2.4
266.10220	6.6
385.15076	12.1
417.16891	7.3
418.14743	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1179
Annotation	Aquillochin
Peak:m/z	Relative Intensity
53.03942	0.9
55.01849	2.1
61.36552	0.6
65.03923	2.2
67.05484	1.6
69.03412	1.1
69.07056	1.4
70.99968	1.2
71.04984	0.7
77.03910	0.9
78.04689	2.1
79.05489	4.0
81.03403	1.4
81.07025	2.1
84.08139	0.8
85.02877	1.6
89.03889	1.4
90.04715	0.9
91.05477	10.8
93.03425	0.8
93.07049	3.1
95.04971	9.8
95.08575	1.2
97.06509	1.4
102.04665	1.3
103.05460	9.8
104.06226	2.1
105.03362	2.6
105.07027	10.5
106.04163	1.2
107.04300	0.6
107.04948	7.4
107.08587	0.9
109.02876	1.2
109.06528	1.0
109.10139	1.3
110.03622	0.9
111.04408	1.2
111.32468	0.7
115.05461	4.3
117.03371	1.5
117.07039	1.6
118.04151	3.4
119.01218	0.9
119.04964	5.4
119.08535	1.1
120.05735	0.9
121.02850	4.0
121.06499	6.2
121.10107	1.3
122.03642	0.8
123.04433	11.4
124.05167	1.6
125.02335	0.8
125.05975	1.1
130.04170	3.3
130.04944	0.6
131.04922	23.5
131.08536	0.7
132.04733	1.1
132.05710	19.8
133.02852	9.2
133.05602	0.9
133.06508	9.9
133.10101	1.3
134.03575	1.7
135.04411	4.5
135.07950	1.1
136.01500	0.6
137.05998	3.9
139.03844	0.7
140.04646	1.6
143.06035	0.6
145.02817	0.8
145.06483	3.1
145.10081	0.8
146.03677	3.1
147.00797	1.7
147.04393	5.5
147.11626	0.7
148.01501	2.3
148.05165	3.8
148.94199	0.7
149.02325	4.5
149.05962	7.3
151.03922	4.3
151.07494	3.0
152.04674	1.3
153.01802	3.5
153.05423	1.9
153.09096	0.7
154.06184	1.9
159.11728	0.7
160.05167	8.0
161.02362	6.1
161.05992	20.5
162.03078	3.2
162.06766	1.5
163.03914	6.3
163.07507	2.2
164.04654	1.5
165.01807	5.7
165.05472	8.6
167.07036	49.2
168.07542	0.7
173.05989	4.9
175.07527	1.7
176.04733	3.4
177.01872	0.9
177.05467	10.9
178.02606	1.7
178.06195	2.7
179.03397	19.5
179.06952	6.2
180.06317	1.0
180.07805	14.4
181.04948	11.6
181.08527	3.8
182.09412	5.2
183.06415	0.6
189.05478	1.0
190.02528	1.1
191.03384	1.6
191.07031	13.3
192.04150	1.3
192.07811	17.0
193.04951	7.3
193.08614	5.1
194.02048	1.7
201.16472	0.9
205.04846	2.2
205.08540	1.0
207.02895	21.2
207.06444	0.8
208.03609	1.6
209.04449	10.5
209.08075	3.5
210.08858	6.6
211.09596	1.3
217.08665	1.1
218.02031	1.6
219.02960	3.6
219.17436	1.3
221.04417	13.8
221.06403	1.3
223.05937	3.1
233.04396	5.7
233.08009	2.4
235.05875	0.8
235.09685	0.7
237.18605	1.0
245.04463	3.0
255.06525	4.6
255.19438	1.1
263.05475	15.2
339.08658	0.7
355.07901	0.9
367.08090	22.4
368.08679	0.8
387.10443	2.5
387.14694	2.9
399.10684	12.5
399.17398	1.3
417.11615	100.0
418.12000	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	415.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01850	0.4
57.03430	0.8
62.29155	0.4
69.03425	3.9
71.04987	1.0
71.59461	0.7
79.01837	1.9
81.03407	9.4
85.02909	3.4
89.07137	2.1
97.02885	7.1
99.01770	0.4
99.04448	2.0
102.35100	0.4
107.01321	1.1
107.04939	0.6
107.08579	0.4
109.02870	6.4
113.08735	0.5
120.88982	0.5
123.08059	0.5
125.02334	4.6
127.03912	8.2
137.05963	0.5
143.03391	6.4
145.04935	1.2
147.04414	2.2
153.01819	100.0
154.02171	1.2
171.02885	13.6
193.04727	0.5
204.00317	0.5
253.10728	0.8
263.10236	0.9
297.06042	12.4
305.64230	0.4
315.07080	14.9
415.14819	0.7
415.19800	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2301
Annotation	Trp Pro Leu
Peak:m/z	Relative Intensity
53.72988	0.4
56.96561	0.4
67.05491	0.6
67.66232	0.3
69.03416	0.5
69.07065	0.5
69.08450	0.3
71.19616	0.7
74.23650	0.4
79.05479	0.5
81.07045	0.7
83.04980	0.5
85.02879	1.2
91.00101	0.3
91.05414	0.4
93.07007	0.6
95.04931	0.4
95.08598	0.8
97.02868	0.9
97.06515	1.7
105.07019	1.0
107.08586	1.4
109.10169	0.6
121.10134	0.7
123.04448	0.7
125.09547	0.6
131.08536	0.5
133.10054	0.6
135.08002	0.5
135.11676	0.8
149.09596	0.5
151.11171	1.5
152.11577	0.4
153.01863	0.4
157.30241	0.4
160.70413	0.4
161.06047	0.4
163.03877	0.5
191.03334	0.4
191.14343	0.8
192.14655	1.1
203.05241	0.9
209.15334	1.8
210.15651	1.5
217.15756	0.7
235.16905	2.4
253.17822	1.7
327.26660	0.4
415.22971	100.0
416.18277	0.5
416.23361	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	416.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	10.3
69.03417	14.6
70.06560	8.6
71.60336	11.2
81.03410	14.4
85.02887	33.2
87.04453	7.8
91.05443	8.5
93.07027	7.5
97.02879	21.2
103.03916	23.1
105.07031	34.3
107.04962	9.6
107.08576	10.3
109.02810	9.0
121.06499	19.0
123.04395	15.7
127.03904	17.0
133.06496	34.2
145.04834	7.1
149.05969	28.5
153.01839	49.0
154.02119	21.4
161.05991	47.9
167.07019	91.0
177.05484	19.4
181.08600	24.2
193.08604	69.6
211.09657	100.0
236.12781	11.3
237.11221	27.1
254.13948	59.5
385.09323	8.0
416.19128	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	1.0
66.90987	0.9
67.05516	2.0
69.07060	1.9
69.60350	6.8
70.59583	0.8
79.05502	1.4
94.07813	1.1
95.08598	5.5
98.21487	1.1
105.07011	1.0
107.04974	5.5
111.04446	1.3
121.06515	2.0
122.07291	9.6
123.08064	11.0
135.08054	3.7
137.05965	1.7
144.08067	1.2
148.89751	0.9
150.06755	25.8
150.07904	1.9
151.07533	100.0
152.08299	6.6
163.07584	2.3
163.11125	1.7
164.08322	2.7
165.08972	1.0
176.08295	1.1
177.09119	3.8
191.10661	16.1
205.12276	1.2
219.09087	1.2
270.10107	0.9
320.11737	1.1
346.13306	1.8
356.11978	1.1
358.12564	2.5
359.13083	2.7
360.14435	1.0
361.15192	0.9
362.63477	1.0
371.12927	2.2
372.13702	4.9
373.14459	8.8
374.15335	3.3
385.14514	4.0
386.15244	6.0
387.16177	11.1
388.16718	4.5
389.17429	4.3
399.16190	1.4
400.12350	1.9
400.16815	4.0
401.13654	7.3
401.18198	15.4
402.13998	2.7
402.18921	6.5
415.14334	6.1
415.20303	5.4
416.16022	39.3
416.20087	30.3
416.36447	77.2
417.16919	55.8
417.20969	40.8
417.36298	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1179
Annotation	Aleuritin
Peak:m/z	Relative Intensity
50.29387	0.3
51.02363	0.4
53.03930	0.8
55.01859	0.9
59.50833	0.3
61.35352	0.3
62.31768	0.3
65.03917	0.6
67.05487	0.7
68.99786	0.5
70.80046	1.0
73.21053	0.3
77.03904	0.4
78.04688	1.0
79.05502	1.8
80.02630	0.4
81.03403	0.5
89.03910	0.7
91.05468	3.2
93.07021	1.0
95.04960	15.2
103.05447	3.7
104.06264	0.7
105.03387	0.9
105.07024	8.5
106.04128	0.5
107.04949	3.3
108.02087	14.1
109.06487	0.4
110.97031	0.3
115.05474	1.7
117.03363	0.4
118.04115	1.8
119.04919	2.0
121.02866	0.6
121.06462	2.2
123.04422	7.5
130.04108	0.9
131.04001	0.6
131.04910	5.7
132.05704	4.0
133.02841	2.7
133.06487	8.1
134.03625	1.3
135.04404	2.0
137.05991	1.1
140.04655	0.7
143.04938	0.5
145.06548	0.4
146.03624	1.1
147.04387	1.6
148.05176	0.8
149.02293	1.0
149.05974	3.3
151.03886	23.4
151.07489	0.7
152.04388	0.3
153.05420	0.8
155.07025	0.6
159.04390	0.7
160.05164	2.3
161.02309	0.7
161.05968	18.8
162.03128	2.5
163.03900	4.4
163.07532	0.7
164.04604	0.7
165.05476	1.6
165.06659	0.4
166.06276	0.6
167.07037	10.4
173.06003	0.4
175.03867	0.8
176.04660	1.4
177.05466	5.0
178.06274	2.8
179.03381	100.0
180.03687	1.4
180.07803	2.9
181.04961	1.3
181.08530	1.8
182.09248	0.4
189.05357	0.4
190.02582	1.2
191.03357	1.2
191.07013	10.6
192.04179	1.2
192.07803	19.7
193.05000	4.1
193.08585	15.2
194.02148	0.5
195.02574	0.4
195.06551	1.0
205.05009	1.5
207.02875	62.6
207.06390	1.8
208.03293	1.6
209.04457	2.8
209.08051	1.2
210.08829	1.0
211.09616	2.0
219.02736	0.8
221.04536	0.7
225.07626	0.9
227.43878	0.3
245.04442	0.6
255.06569	1.0
263.05530	2.3
291.00345	0.3
367.08102	3.2
387.10583	4.1
393.17227	0.4
399.10724	21.3
400.11023	0.7
417.11734	38.6
418.12015	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47520	4.6
56.96555	8.1
57.03420	6.8
61.02918	10.5
69.03433	38.9
69.60237	30.1
69.60645	6.5
70.06603	8.8
71.05000	7.1
72.08163	8.4
73.02901	4.6
79.01867	6.2
81.03417	11.1
83.04975	4.4
84.04504	6.3
85.02908	58.7
86.09699	15.3
87.04459	8.7
97.02897	29.1
98.97576	19.8
99.04455	6.8
101.00891	7.9
109.02834	7.7
110.97568	6.1
112.71436	4.6
113.00836	4.8
115.03902	6.1
116.98595	9.4
118.08623	5.8
119.01903	19.9
123.04448	12.2
125.07114	5.2
127.03927	22.3
128.98589	8.0
131.01869	16.1
133.03395	4.9
136.06169	37.3
136.07600	8.0
137.06587	8.0
139.03928	5.1
143.01971	4.9
143.03360	11.4
145.03444	17.7
145.04959	16.6
147.04408	5.5
151.03891	5.5
153.01831	100.0
153.02924	4.9
154.02153	5.6
155.01903	10.8
155.17064	4.2
156.51535	4.6
157.03494	11.4
158.08687	4.5
161.01300	6.9
161.02943	23.3
167.07045	4.8
170.83026	4.8
170.99596	4.8
173.02956	21.3
175.03975	7.1
177.00781	6.6
177.05537	5.4
179.54137	4.4
185.01337	4.8
185.02971	17.6
191.03947	5.4
197.03043	12.2
203.03952	8.5
211.00923	30.1
214.03268	7.1
215.95573	4.9
219.01741	9.4
221.05096	8.9
223.04437	6.5
227.03928	5.8
229.01996	14.4
237.02779	12.6
245.05161	31.5
245.09221	7.5
246.07619	5.9
247.00772	5.3
247.02948	13.0
253.02016	11.1
254.05400	7.9
261.02499	7.2
263.10251	14.5
271.03174	10.6
271.06259	7.4
303.01480	8.8
307.03085	12.4
311.06079	10.2
313.03903	5.8
325.06903	8.2
334.07391	15.8
337.03928	10.8
355.05051	63.4
355.09045	7.8
356.05103	6.1
373.06131	74.9
374.06113	8.1
396.07828	6.7
415.05731	6.6
415.10074	84.1
415.15048	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	414.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65936	2.2
52.15307	2.3
53.53846	2.5
65.25493	2.3
67.05492	3.8
69.03409	7.6
69.07063	5.6
69.66608	7.8
69.67037	9.5
70.06580	3.7
76.45995	2.0
79.05458	4.6
81.03418	2.5
81.07043	5.6
83.04964	4.0
85.02895	8.1
85.06492	2.0
89.06009	2.6
90.65695	1.9
91.05458	4.8
93.07057	4.2
95.04955	6.6
95.08598	3.1
96.08120	2.9
97.02870	5.5
98.20709	2.6
105.07002	9.4
107.04941	3.3
107.08566	16.0
108.08083	7.4
109.06507	6.4
109.10120	6.1
117.07028	2.2
119.08616	5.2
121.10127	10.7
123.08051	2.2
127.03880	3.8
131.08548	2.2
133.10117	100.0
134.09599	3.0
134.10480	5.3
135.08081	12.6
135.11636	3.3
137.09610	56.1
138.09909	2.3
145.10080	2.7
147.11664	2.6
147.40572	2.2
149.13248	12.6
158.63211	2.6
159.11694	4.2
160.11223	2.6
161.09602	3.0
164.14336	2.8
173.13251	7.2
191.14294	60.4
192.14581	3.2
209.15352	33.2
216.17429	11.8
217.15729	3.5
234.18517	39.4
252.19522	4.7
336.31039	2.2
379.61182	2.3
396.23636	10.1
414.21027	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.6
57.03435	1.9
58.06610	2.4
67.05497	2.3
69.03421	8.9
69.07066	3.3
69.73109	10.2
70.06585	5.8
73.02924	2.1
76.60093	1.3
79.05490	4.0
81.03430	2.7
81.07053	6.4
83.04982	3.0
83.08606	2.0
84.04507	3.9
84.08134	1.6
85.02897	10.7
86.51077	1.5
91.05486	3.9
91.54839	1.5
93.07042	3.8
94.33765	1.6
95.08615	6.3
97.02881	5.9
98.06061	3.3
98.21547	1.6
99.08107	1.6
105.07032	5.0
107.04960	12.5
107.08585	18.8
108.08076	2.1
109.06493	4.0
109.10166	10.6
112.07615	2.3
112.79486	1.6
119.08573	7.4
121.10154	12.4
122.07278	3.4
122.09727	1.8
123.08062	2.2
124.07591	6.1
126.05534	2.1
127.03906	2.1
128.87524	2.0
131.08592	3.1
133.10118	100.0
135.08061	19.3
135.11685	12.4
136.07596	2.0
137.09608	66.8
139.71445	1.5
145.04977	1.8
145.10075	1.9
147.11693	3.9
149.09607	16.3
149.13252	11.1
151.11182	2.8
158.08121	2.4
159.11694	1.8
160.11168	1.6
161.09587	1.5
163.14838	4.5
164.14355	3.1
173.13300	7.7
175.14879	4.5
186.07632	4.0
190.15921	2.0
191.14296	82.7
192.17543	1.5
193.15913	6.1
195.13820	4.0
196.13365	1.4
204.08636	10.3
208.16927	2.8
209.15356	30.3
209.17355	2.0
211.16939	3.9
216.17438	5.0
234.18480	26.3
252.19583	37.0
252.21489	1.5
257.08124	3.9
258.57980	1.5
325.16644	1.7
384.65677	1.9
414.25052	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	415.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01867	2.1
56.96549	6.5
57.03432	3.5
60.04519	1.7
61.02918	4.5
69.03426	13.9
69.07057	2.7
69.82964	4.6
69.83372	3.2
70.02949	1.3
70.06589	1.8
70.21108	1.3
71.04985	2.6
73.02911	2.5
77.00906	2.5
81.03407	7.2
83.01360	1.5
83.06073	2.5
84.08142	2.0
85.02895	28.4
86.03284	1.3
86.09698	28.1
87.10021	4.8
91.05807	2.4
95.01321	2.0
97.02892	20.5
98.08990	1.2
98.97563	5.3
99.04462	3.8
101.00893	4.6
109.02877	9.3
110.02424	1.9
113.00893	1.8
115.02472	1.7
116.98589	7.0
117.38522	1.6
119.01919	34.9
123.04412	1.3
127.02361	1.6
127.03903	5.7
128.98596	1.6
130.08670	1.3
131.01888	16.1
131.04865	1.6
132.10197	22.3
133.03458	5.0
133.10556	4.9
134.99657	5.3
136.06131	2.5
137.02946	11.1
138.05550	2.5
139.02374	2.6
139.03934	1.6
140.97498	1.2
140.98938	1.3
142.03481	2.6
143.01920	4.3
145.03464	24.9
145.04932	4.9
146.99696	1.7
147.01454	2.0
149.02966	3.1
150.05511	1.7
152.04567	1.8
153.01825	25.4
153.03000	2.4
155.01888	12.3
157.03453	14.4
161.01413	1.9
161.02934	20.3
163.04546	9.1
166.08656	1.6
167.01891	3.2
169.03426	3.7
171.02824	1.8
173.02927	20.8
175.04521	5.5
177.00723	1.8
181.03432	2.4
183.01326	1.5
185.02946	26.0
187.02864	1.5
187.04532	6.1
189.00667	1.4
191.02065	1.3
192.99854	1.6
197.02943	12.8
199.04558	2.3
202.41000	1.7
203.03993	17.4
205.03658	1.9
208.04482	1.6
209.03006	4.6
211.00883	30.9
211.04216	1.3
215.03979	4.1
219.01784	3.3
221.03001	2.0
221.04994	12.9
221.06676	1.3
223.04645	2.4
227.04024	8.9
229.01953	18.8
234.02437	1.5
235.00888	3.9
235.04549	2.7
237.02730	8.0
239.03960	2.3
241.05809	1.7
244.04320	1.5
245.05055	69.9
246.05197	2.9
247.00838	2.1
247.02994	24.0
251.04137	1.9
253.01906	13.4
253.05582	2.3
253.08026	2.7
255.03658	2.8
261.02383	2.1
263.00726	3.7
263.04037	3.0
263.06189	34.5
265.01895	3.6
267.03513	3.3
271.02982	12.9
271.05643	1.7
273.04733	2.1
277.01950	2.0
279.03568	4.8
283.03214	1.4
283.06567	2.6
284.12350	2.0
285.04565	4.9
286.07645	3.3
289.01660	2.8
294.04532	1.7
295.02963	8.5
297.04370	6.7
307.03036	15.3
308.03088	1.5
311.06128	8.2
313.03986	5.9
315.05664	3.9
325.04056	5.3
334.15347	2.0
337.04132	7.0
344.97192	1.9
355.05048	100.0
356.05328	4.3
362.14728	1.7
373.06104	69.8
374.06161	3.4
380.15747	2.6
396.07700	11.2
415.02869	3.8
415.07303	5.2
415.12311	1.8
415.17581	1.8
428.22220	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2145
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
53.69681	0.5
55.05508	2.5
67.05495	1.3
69.03424	1.1
70.06590	1.6
71.58900	0.6
81.07045	0.7
83.04975	1.4
83.08604	1.6
85.02894	1.4
91.05484	1.1
95.04951	0.5
95.08584	0.9
97.02879	0.9
100.11251	9.0
105.07004	0.9
111.04437	1.8
119.08534	0.8
122.06010	0.7
123.04415	0.9
128.07085	1.7
131.08528	0.6
133.10112	0.7
137.05956	1.2
139.03874	0.7
141.11459	1.4
147.04381	1.3
153.01784	0.6
175.07565	0.6
177.05551	0.5
182.15398	4.5
203.05298	1.4
204.66478	0.8
209.16508	1.0
210.14879	6.6
217.08580	3.0
227.17503	0.6
228.15999	1.1
233.15349	1.2
245.18730	1.0
251.12582	0.6
251.16245	1.1
262.10684	0.9
268.21454	1.7
282.19662	0.7
326.28036	1.1
331.74493	3.7
332.24603	0.7
337.21350	0.6
340.75253	1.6
348.35645	0.7
384.27753	0.5
393.62125	0.6
395.20349	1.6
395.27747	0.9
404.78485	0.6
413.21429	100.0
414.16370	0.7
414.21820	2.7
435.32254	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
53.35072	0.1
54.63621	0.1
56.96553	0.4
57.03429	0.3
60.04527	0.2
60.95868	0.1
61.02924	0.3
67.02983	0.2
69.03072	0.3
69.03424	3.2
70.06582	0.3
71.04987	0.3
71.50046	0.2
73.02908	0.3
78.10067	0.1
80.17465	0.1
81.03405	1.3
82.85267	0.1
85.02893	2.2
86.09673	0.2
91.05834	0.2
94.04041	0.4
97.02887	1.0
98.97573	0.8
99.04436	1.0
101.02454	0.1
109.02865	0.4
111.04420	0.2
116.98587	0.7
117.05476	0.4
119.01885	0.2
119.03513	0.8
119.04942	0.2
120.04470	0.2
127.03891	0.8
128.98647	0.2
134.99640	0.5
136.06175	100.0
137.04680	0.7
137.06688	1.2
138.05466	0.2
139.03896	0.3
143.00124	0.1
143.03387	0.2
145.03415	0.2
145.04968	0.5
146.99649	0.3
147.04413	0.3
153.01830	2.1
154.02078	0.2
158.99687	0.2
161.01299	0.3
161.02977	0.2
163.05972	0.2
166.08600	0.2
173.03000	0.2
177.00710	0.4
179.07051	0.2
187.08688	0.2
201.00630	0.2
215.10629	0.2
219.01620	0.3
237.02774	0.9
241.06458	0.1
252.08525	0.2
252.10828	0.3
253.08038	0.2
255.03937	0.2
276.05042	0.2
286.79077	0.1
291.09076	0.2
292.09845	0.3
302.05447	0.3
340.15039	0.2
348.07040	0.2
407.76883	0.2
414.16653	2.3
415.03433	0.3
415.10803	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21441	0.6
53.03930	1.7
55.01873	7.4
57.03436	16.4
59.05000	1.5
61.02923	16.3
62.43737	0.7
67.11131	0.7
69.03426	32.2
69.34145	1.4
69.34552	6.5
69.48949	0.8
70.06584	0.8
71.01347	3.3
71.04990	1.7
73.02914	77.2
73.34245	0.6
81.03405	5.6
81.07034	0.7
85.02901	100.0
85.09580	0.7
86.03256	1.0
87.04463	4.7
91.03942	5.3
91.05468	2.4
95.04968	1.0
97.02886	54.9
98.03217	1.2
98.21437	1.7
99.04461	4.8
103.03939	2.5
104.69050	0.7
109.02864	8.9
115.03926	29.1
116.29252	0.6
123.04425	14.0
124.07567	0.8
125.02364	3.2
126.28814	0.6
127.03913	31.8
131.04926	1.4
133.04958	37.1
135.04433	0.9
139.03886	3.9
145.04955	60.7
150.07619	3.0
151.03883	4.9
153.01849	2.4
163.06012	32.2
163.07401	1.6
181.05061	1.0
193.04890	1.6
195.06630	0.9
199.06059	1.5
199.13368	0.8
217.07037	2.0
223.05988	6.0
241.07048	8.8
244.90720	0.7
259.08142	11.5
265.16473	4.3
277.09128	2.6
295.10315	2.8
303.08646	2.4
368.17548	0.8
397.16309	0.9
415.19379	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2148
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
53.03946	0.6
55.05510	0.8
68.59175	0.5
69.03429	3.6
69.07074	0.7
70.06595	1.0
70.40461	2.4
71.04989	0.9
78.43578	0.6
79.05492	0.9
81.03416	1.2
81.07062	1.6
83.04987	1.4
85.02904	4.8
86.09721	0.9
87.04494	0.9
91.05489	1.9
91.22845	0.6
93.07050	1.2
95.04987	1.2
95.08618	0.6
97.02914	1.6
97.06542	1.6
98.20855	0.8
101.53593	0.5
105.07051	2.1
107.04964	1.0
107.08614	1.0
109.02930	1.1
109.06523	1.3
109.10081	0.5
111.08081	0.8
116.06258	0.8
119.04918	0.5
119.08625	1.8
121.06524	0.8
121.10169	1.3
123.04456	1.6
123.08099	1.2
125.09615	0.8
125.80835	0.5
127.03899	1.2
131.08580	3.7
133.10118	2.7
135.08051	1.1
137.09607	2.9
143.97820	0.6
145.04939	0.7
145.10043	1.2
147.04422	0.8
147.08102	2.2
147.11708	1.0
149.09677	1.1
151.11237	0.9
153.01860	1.6
159.08076	2.1
163.04187	0.7
165.05540	2.3
173.09700	0.7
173.13327	1.9
175.11227	1.1
177.09094	2.5
184.74771	0.6
187.14954	1.0
189.12877	0.8
191.14336	1.7
203.03432	2.5
203.05241	19.6
203.14368	2.0
215.14359	1.6
233.15251	7.0
251.08415	1.2
251.12556	7.6
251.16347	3.3
262.07230	0.9
282.19028	0.5
317.10345	1.8
389.75211	0.6
409.52243	0.5
413.21588	100.0
414.21783	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	413.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
63.43890	0.3
67.05507	0.6
69.03426	0.5
70.06569	0.7
71.60327	0.3
81.03416	0.4
81.07048	0.5
83.20780	0.3
85.02888	0.7
85.06538	0.4
91.05494	0.4
93.07039	0.5
105.07043	0.3
107.08585	0.5
109.02820	0.4
109.10120	0.5
119.08555	0.4
122.05959	0.4
123.04426	0.6
127.03912	0.4
128.08609	0.3
133.10155	0.3
137.05913	0.3
137.09612	0.5
145.10130	0.3
153.01787	0.4
177.05455	0.4
203.05263	0.4
233.15297	0.4
234.11287	0.5
238.70695	0.3
251.12534	0.7
251.16418	0.5
261.12375	0.4
292.38351	0.3
383.20367	28.5
384.20636	0.9
397.85742	0.3
413.21429	100.0
414.21729	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2145
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
50.15552	0.3
55.05523	0.3
67.05487	0.3
68.05816	0.3
69.03423	0.4
69.27569	1.5
69.27996	2.1
70.06556	0.4
81.03388	0.3
81.07060	0.5
85.02915	0.6
85.03440	0.3
98.20775	0.6
100.11234	0.3
107.08601	0.4
119.08619	0.4
123.04433	0.8
127.03981	0.3
133.10155	0.4
147.04419	0.9
165.63142	0.3
177.05391	0.3
189.05304	0.3
194.00273	0.3
203.05244	3.1
217.08688	1.6
233.15202	1.1
245.80406	0.3
247.71556	0.3
251.16310	1.5
262.10666	0.6
301.87155	0.3
339.12341	0.4
382.14218	0.4
411.35669	0.3
413.21432	100.0
414.16119	0.7
414.21860	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	412.342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88829	0.6
53.03942	1.4
54.22606	0.6
55.01863	1.5
55.05516	4.1
56.05025	2.3
57.07058	1.4
60.04508	2.8
60.23983	0.6
65.03919	1.0
67.05502	10.5
69.03425	4.0
69.07066	3.2
70.24252	2.0
71.05000	2.9
79.05492	11.4
79.40298	0.6
80.05016	1.9
81.03412	2.4
81.05782	1.8
81.07054	11.2
82.06565	4.4
83.08613	3.1
85.06522	0.9
87.04469	2.9
91.05470	6.0
93.07043	20.5
94.06560	17.3
95.04957	4.3
95.08601	18.8
96.08125	2.9
97.06526	4.7
97.10166	1.6
98.21416	0.8
100.96573	0.6
103.05492	0.7
105.07043	9.7
107.07334	3.5
107.08569	1.4
109.10154	1.3
110.09679	10.7
110.10406	1.1
111.08073	14.3
114.29902	0.6
116.64636	0.6
119.08593	0.8
120.08108	1.3
122.09663	31.2
123.08065	23.0
128.10712	34.6
131.08585	0.8
140.10695	100.0
141.09096	10.0
141.10939	1.1
150.23669	0.6
158.11760	8.6
159.11652	0.7
191.63889	0.6
254.24950	1.5
272.25833	8.0
357.31116	0.6
364.32053	1.2
376.32141	1.2
382.33179	6.2
383.87552	0.7
394.33145	15.0
412.34204	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	413.1413
Annotation	t(6)a
Peak:m/z	Relative Intensity
55.90750	0.3
56.05026	0.9
57.03419	0.5
69.03391	0.4
69.23839	0.3
69.26402	3.0
70.06579	0.4
71.04967	0.4
73.02892	0.4
74.06067	1.9
85.02890	1.0
88.03987	0.7
94.06562	0.4
97.02840	0.4
102.05520	1.2
116.05567	0.4
119.03545	1.9
120.06574	8.7
136.06181	100.0
137.04604	1.7
137.06554	1.0
139.03999	0.3
146.06007	1.0
153.01871	0.8
162.04109	59.5
163.04385	0.4
187.92477	0.3
233.09116	0.4
268.10379	1.4
277.51941	0.3
281.09921	54.3
282.10233	1.1
293.59512	0.3
294.08240	0.4
319.38971	0.3
389.35623	0.3
401.23444	0.4
413.14227	10.6
414.14429	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88906	2.3
55.01859	9.6
55.05509	24.0
57.03434	17.5
61.02922	13.1
67.05500	4.7
69.03432	36.8
69.63611	9.8
69.64040	7.7
71.01354	3.0
71.04942	2.9
73.02911	95.8
77.73280	2.1
79.05526	2.7
81.03403	8.2
81.07055	4.2
83.08612	47.4
85.02901	100.0
85.06514	3.0
87.04472	6.1
91.03958	6.1
95.04976	7.7
95.08592	3.4
97.02286	3.4
97.02887	55.8
98.21472	4.3
99.04447	7.1
103.03960	4.6
105.06999	2.2
109.02881	9.0
109.05624	2.4
109.06490	4.2
115.03932	38.6
123.04433	3.7
124.09797	2.3
127.03908	33.5
133.04974	42.3
139.60303	2.4
141.05431	3.2
145.04956	50.5
150.07597	4.4
153.01921	2.6
155.07034	9.9
157.44958	2.4
163.06017	36.0
173.08096	12.1
197.11710	2.7
215.12737	5.4
223.05971	5.1
241.07076	9.1
250.10751	2.7
259.08060	12.0
277.09036	2.8
279.10129	2.4
295.10269	5.0
412.20090	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	412.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36693	0.9
53.03933	1.5
55.05508	2.3
57.03436	9.1
61.02914	2.0
69.03425	3.6
69.04095	0.9
69.07068	10.3
70.06579	2.4
70.19095	3.9
71.04993	67.3
73.02899	2.6
75.04486	5.1
75.92293	1.1
81.03410	1.5
81.07035	1.1
83.04979	8.8
85.02904	100.0
85.06542	2.1
87.04467	3.5
97.02892	5.0
98.06057	1.0
98.97534	1.2
99.04456	3.1
101.19463	1.1
102.54595	1.1
103.03929	1.5
105.07085	1.1
107.04971	1.4
109.02891	1.4
111.04462	5.6
111.08106	2.1
120.83941	1.2
123.04431	5.7
127.03925	6.2
129.05479	49.3
138.05472	2.9
139.03873	2.4
139.05841	1.1
145.04942	6.7
146.08170	1.3
147.04535	1.1
147.06517	28.0
149.05986	1.4
151.03940	1.5
153.09148	2.2
163.03891	2.4
163.06013	2.8
164.09177	6.6
167.07039	1.1
179.62601	1.1
207.06551	1.5
215.12801	1.4
231.12198	1.4
235.50880	1.0
250.07086	2.0
250.10809	2.7
255.08694	2.0
260.06601	1.3
273.07144	1.1
273.09802	2.6
274.07690	1.5
292.51022	1.0
309.11548	5.1
338.12457	1.1
368.11905	1.1
412.11218	2.6
412.16370	13.0
412.19589	2.5
413.11575	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71476	0.1
55.01858	0.3
55.02975	0.1
60.36719	0.1
63.56725	0.1
69.03403	0.4
69.54050	0.3
69.54463	0.8
81.03410	0.1
85.02875	0.5
94.04056	0.2
95.04937	0.1
97.02891	1.8
99.04430	0.4
99.05016	0.1
103.03950	0.4
107.04931	0.2
111.04385	0.2
115.03911	0.4
119.03569	0.8
123.04433	0.3
127.03925	0.4
136.06178	100.0
137.04591	0.8
137.06651	0.7
147.04398	0.2
149.96410	0.1
153.01787	0.3
163.03885	0.1
165.28874	0.2
167.39691	0.1
178.07217	0.2
256.65375	0.1
260.06317	0.2
264.00272	0.2
268.10327	0.3
269.13553	0.1
370.57416	0.1
412.10193	0.3
412.14670	5.0
413.10043	0.7
413.15283	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07553	1.0
53.03944	1.5
54.57718	1.1
55.01852	6.1
55.05493	4.3
57.03432	17.7
59.04984	2.7
60.74395	0.9
61.02922	17.9
67.05510	1.0
69.03425	32.2
69.07049	1.1
69.83458	6.3
71.01345	4.4
71.04986	6.2
73.02913	85.6
80.05006	1.3
81.03417	6.4
81.07056	1.5
83.04981	1.2
83.08609	4.1
85.02899	100.0
87.04470	4.2
87.48502	0.9
91.03965	5.0
93.06998	1.4
95.04914	1.2
95.68250	0.9
96.04491	2.2
97.02887	56.2
97.06518	1.3
99.04462	5.6
99.08057	1.2
103.03931	2.9
107.08633	1.9
109.02874	9.4
109.10117	1.1
111.08096	1.8
115.03927	27.1
121.06476	1.1
123.04393	1.2
123.08047	1.2
124.03950	37.1
127.03913	32.5
129.09129	1.8
133.04959	38.2
139.03882	13.8
139.07526	3.4
140.04250	1.2
141.09071	2.8
144.06497	1.1
145.04948	53.9
150.07573	4.9
151.03903	2.4
163.03888	2.2
163.06003	24.8
167.10667	1.4
171.61864	1.0
179.10605	1.6
180.08801	1.1
181.05028	1.4
193.04881	1.3
197.11696	3.1
199.06009	2.3
209.11729	2.9
215.12782	3.3
217.07065	2.9
223.05948	6.8
227.12898	1.8
233.13818	1.4
241.07091	7.4
245.13840	4.3
254.70030	1.2
259.08072	13.2
263.14841	6.5
277.09235	1.8
278.09525	1.0
280.17612	1.3
289.07043	4.4
295.10147	5.5
328.27496	1.0
339.15524	1.5
369.88287	1.2
412.10370	3.7
412.20160	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04678	1.8
53.03940	3.9
55.01859	5.1
55.05511	64.8
57.03434	18.2
57.07076	4.4
59.05002	2.3
65.03931	1.6
67.05502	69.6
69.03413	3.4
69.07064	29.7
71.04986	5.4
75.44634	1.6
79.05489	61.1
80.05776	1.7
81.03405	4.8
81.07056	97.1
83.04973	12.8
83.08614	32.9
85.02902	2.2
85.06524	5.7
91.05488	23.9
93.07039	51.4
95.04949	7.2
95.08603	21.2
97.06514	11.1
97.10165	46.2
99.08062	3.8
105.07044	12.6
107.08589	45.1
109.06533	3.1
109.10149	4.4
111.08083	6.0
117.07037	8.7
119.08602	5.8
121.06557	3.0
121.10127	21.6
123.11674	3.6
125.09620	37.9
129.43896	1.8
131.08572	11.1
131.09370	1.8
133.10138	14.1
135.08017	2.0
135.11690	11.3
143.10643	9.2
145.10091	2.4
147.11726	2.5
149.13242	37.7
149.14366	2.8
157.10078	2.8
159.11678	21.3
177.12741	15.4
178.02710	1.8
192.32463	2.0
193.12257	1.9
195.13791	25.4
199.13290	51.3
213.14879	2.8
269.17474	67.4
270.17783	2.9
272.09973	1.9
301.21619	2.5
319.22903	3.6
322.59692	1.8
393.26312	25.1
393.31046	2.2
411.27426	100.0
412.27762	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	411.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56891	0.3
53.03925	0.4
55.01859	0.5
57.07065	0.4
65.35764	0.3
68.99759	0.5
69.03423	1.0
69.07073	0.4
70.06590	0.7
71.60174	0.6
79.05505	0.3
80.59230	0.3
81.03451	0.4
81.07042	0.6
84.04499	0.5
84.49946	0.3
85.02913	1.9
85.06534	0.6
91.05475	0.6
93.07033	0.6
95.08604	0.7
97.02887	0.8
98.56963	0.3
100.11254	0.6
107.04969	2.0
107.08551	0.4
109.02877	0.5
109.06537	0.4
111.04428	0.6
114.84438	0.3
119.04939	0.5
121.02888	0.4
122.06021	1.5
123.04408	2.3
125.09633	0.4
127.03899	0.5
129.06952	0.4
131.04939	0.5
131.08600	0.5
133.10263	0.4
136.07538	0.4
138.05556	0.4
139.03928	0.6
144.05600	0.4
147.04388	1.2
159.08046	0.7
161.05998	0.8
163.03876	0.8
163.61098	0.4
164.07007	0.4
173.06017	0.4
173.09555	0.4
177.05508	2.1
179.03403	0.4
188.04437	0.5
192.04091	0.7
193.05069	0.4
195.17422	0.4
201.05493	0.7
201.09038	0.5
203.05258	0.8
203.07045	0.4
210.70827	0.4
213.05324	0.4
214.15123	0.4
216.10210	0.4
231.06564	0.6
233.09596	0.4
233.11603	2.1
242.08095	0.7
249.07362	2.5
249.11134	3.4
249.20494	0.3
252.06004	0.5
259.05963	2.1
260.09140	1.6
275.05545	0.8
280.05722	0.7
287.05685	0.7
300.97385	0.4
347.13568	1.1
351.13028	0.5
393.14197	1.1
405.04724	0.4
411.19876	100.0
412.13901	3.1
412.20178	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	411.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07877	1.4
53.03935	4.1
55.01854	6.4
55.05509	72.3
57.03430	17.5
57.07048	2.0
58.22871	1.5
60.84850	1.4
62.89204	1.4
65.03931	2.1
66.71080	1.2
67.05499	72.6
69.03418	2.4
69.07058	30.5
69.27306	18.7
71.04975	3.5
79.05486	64.2
81.03418	2.8
81.07051	100.0
83.04989	11.3
83.08141	2.5
83.08608	29.4
85.06512	5.1
88.01642	1.6
91.05470	22.7
91.34169	1.5
93.07035	53.6
95.04956	7.5
95.08605	18.3
97.06521	12.8
97.10164	40.2
99.08071	3.0
102.87061	1.7
105.07004	9.5
107.08591	46.7
109.06508	3.6
109.10140	4.5
111.08054	6.8
117.07024	9.3
119.08559	5.3
121.06548	3.0
121.10135	15.8
123.11715	3.7
125.09618	35.7
125.10531	1.9
129.05528	1.7
131.08565	8.1
133.10098	10.5
135.11655	10.3
137.29778	1.6
139.11160	2.5
143.10664	9.2
147.11708	2.1
149.13246	39.0
151.11124	2.8
159.11662	16.5
161.09608	1.9
177.12762	14.1
195.13773	21.3
199.13278	49.0
200.92451	1.6
213.14813	2.5
269.17447	57.2
270.17734	2.1
301.21478	1.9
306.32214	1.5
319.22543	3.9
393.26340	20.7
394.26093	1.6
411.27383	79.5
412.27722	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	411.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82863	0.5
69.28561	5.7
70.96530	0.4
95.04994	0.6
95.83291	0.4
97.84841	0.5
107.04921	0.5
175.07329	2.3
185.04224	1.7
203.05255	0.5
245.04649	0.5
249.14612	2.9
259.25848	0.5
261.93399	0.5
381.18933	1.0
411.19879	100.0
412.20358	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	411.1988
Annotation	Flumethasone
Peak:m/z	Relative Intensity
57.19258	0.2
70.17300	0.7
79.05520	0.2
83.16556	0.2
85.02889	0.3
97.02885	0.2
97.06567	0.2
98.21326	0.2
107.08550	0.2
119.08643	0.2
123.04435	0.5
131.39847	0.2
133.10233	0.2
137.05949	0.3
139.03908	0.3
153.01764	0.2
163.03842	0.2
165.05511	0.3
175.91722	0.2
183.00101	0.2
203.05154	0.4
213.05479	0.2
249.11061	0.9
249.14633	0.3
259.06018	0.3
308.69608	0.2
411.19855	100.0
412.20233	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	411.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
61.29197	0.4
65.25467	0.4
69.07015	0.4
69.60833	2.8
97.37991	0.4
107.04942	0.6
123.04421	0.4
124.85004	0.4
127.03963	0.4
131.35320	0.4
148.31297	0.4
329.67896	0.4
411.19870	100.0
412.20300	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.199
Annotation	Flumethasone
Peak:m/z	Relative Intensity
55.05496	1.2
56.96565	1.0
69.03432	0.7
69.07046	0.4
70.11097	1.3
70.11510	1.0
71.88343	0.3
77.99203	0.4
79.01857	0.7
83.08610	1.2
85.02897	0.5
93.07021	0.7
95.08565	0.4
97.02886	0.4
98.20818	0.5
98.97562	0.6
107.04980	0.4
107.08608	0.4
109.10129	0.5
111.08079	0.8
116.98613	0.5
121.10207	0.5
123.04422	0.4
125.09636	0.4
127.13275	0.5
133.10036	0.4
137.81239	0.3
143.03387	0.8
146.99673	0.6
151.11201	1.5
153.00572	0.4
153.01823	8.8
153.02994	0.7
154.02170	0.6
155.02170	0.5
162.41167	0.4
163.03926	0.4
167.14304	2.0
181.21675	0.4
182.24529	0.3
203.05310	1.9
226.98767	0.5
227.55986	0.5
231.13618	4.3
231.17377	0.7
237.02815	0.6
249.11008	1.1
249.14697	0.9
345.06229	0.9
358.04391	0.8
376.05359	0.9
411.19894	100.0
412.20367	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	411.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59980	0.2
52.81539	0.3
55.01862	0.3
55.05505	1.9
57.61823	0.3
67.05489	0.4
69.03421	0.4
70.03976	1.5
71.52394	0.2
81.03416	0.5
81.07037	0.5
83.04967	2.5
83.08621	1.7
85.02906	0.5
85.07677	0.5
88.58530	0.3
91.05471	0.4
95.04979	0.5
97.10172	0.4
98.20794	0.3
99.83189	0.3
102.71223	0.2
104.28249	0.3
107.04945	3.9
107.08624	0.5
109.02876	1.0
109.10162	0.6
111.08087	0.4
112.63029	0.2
112.80206	0.3
117.07903	0.3
119.04929	1.1
123.04435	0.5
123.11713	0.7
125.09631	0.7
127.03893	0.3
133.10103	0.4
138.05501	0.7
139.03908	0.7
147.04385	2.2
151.11108	1.5
163.03906	0.8
165.05519	1.1
167.03409	0.4
167.14304	4.0
174.18657	0.3
175.03937	0.5
175.07475	0.3
177.05479	0.3
179.03409	1.2
185.06042	0.3
191.03415	0.8
191.10684	0.3
203.03419	0.7
203.05289	1.8
205.05025	0.3
209.15346	1.6
213.05539	0.4
229.04980	0.6
231.06528	1.2
231.13544	4.0
237.19705	0.3
243.06592	0.6
245.04456	0.8
249.12418	0.3
249.14677	0.6
250.10866	0.4
257.04480	0.5
259.05960	1.0
267.06488	0.7
275.05487	1.0
285.07565	2.0
287.05511	3.1
315.01288	0.5
334.09998	0.3
392.14539	0.3
393.09424	0.4
411.19867	100.0
412.20276	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	411.1988
Annotation	Flumethasone
Peak:m/z	Relative Intensity
55.01872	0.4
55.05482	0.3
56.75508	0.3
57.03422	0.6
66.95736	0.3
67.42659	0.3
69.03405	0.5
69.37804	2.7
69.38216	0.6
70.06580	0.5
71.04980	0.9
73.02914	1.2
74.81987	0.4
80.05035	0.3
85.02915	2.6
90.73888	0.3
91.05492	0.3
97.02888	0.9
98.20663	0.6
107.04977	1.5
109.02891	0.4
119.04948	0.5
123.04399	1.5
124.03960	8.8
127.03933	0.4
133.04976	0.4
139.03905	3.5
140.78993	0.3
145.04938	0.6
147.04431	0.4
151.03879	0.5
163.03891	0.9
170.02716	0.3
179.03304	0.4
214.68230	0.3
231.06534	0.5
233.11670	0.6
234.79141	0.3
241.04982	0.3
249.11188	1.1
259.06009	0.4
285.07455	0.7
287.05548	1.7
289.07114	0.6
361.02371	0.8
379.03354	0.5
411.12698	6.6
411.19888	100.0
412.10437	0.5
412.20120	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	411.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72669	0.7
56.96538	2.5
66.51963	0.7
67.05456	0.7
69.51763	6.3
70.17545	0.8
87.47094	0.7
95.04932	1.7
95.08553	1.3
98.97565	4.6
109.10145	1.3
110.97537	2.5
116.98546	2.7
121.10139	0.8
128.98601	3.6
134.99611	1.0
146.99574	3.2
170.99860	1.0
203.05203	2.4
212.03517	0.8
219.01656	3.2
219.84489	0.7
231.08830	1.1
231.13622	1.0
232.16812	0.8
237.02797	7.6
240.55214	0.7
265.11185	0.9
267.12491	2.3
283.11954	1.1
285.13843	3.6
309.13589	2.2
327.14700	1.2
351.14777	0.8
367.76996	0.9
411.17404	100.0
412.17776	3.9
429.17822	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	411.1986
Annotation	Flumethasone
Peak:m/z	Relative Intensity
55.05500	1.1
63.18606	0.3
69.59587	0.3
69.60100	1.0
69.60523	1.2
81.07058	0.5
83.04975	2.0
83.08195	0.3
83.08604	1.5
85.02914	0.3
85.07640	0.3
93.07020	0.5
97.02900	0.3
97.10166	0.3
98.20884	0.6
99.15981	0.2
107.04937	2.2
109.02225	0.3
109.02890	0.5
109.10143	1.0
119.04948	0.8
121.10151	0.6
123.04416	0.8
123.11668	0.4
125.09651	0.7
133.10062	0.4
139.03891	0.3
147.04417	0.8
149.13170	0.3
151.11153	2.2
165.05568	0.4
167.14307	4.3
179.03337	0.7
191.10431	0.3
203.03485	0.6
203.05266	2.2
209.13724	0.3
209.15398	1.7
225.76624	0.2
231.06526	0.8
231.13573	4.2
245.04457	0.5
249.14606	0.7
257.04395	0.3
259.05917	0.5
267.06604	0.3
275.05392	0.4
285.07642	0.9
287.05655	1.5
315.01395	0.4
403.34399	0.3
411.19870	100.0
412.20187	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.5
53.03930	1.1
55.01670	0.5
55.01873	5.3
55.05507	0.9
55.11678	0.5
65.03929	1.0
67.01841	0.9
67.05479	1.4
68.99781	8.9
69.03433	1.1
70.06579	0.7
70.78031	0.6
70.78365	1.1
71.01345	0.5
71.04986	0.7
75.23779	0.4
77.03936	0.8
79.05501	2.7
81.03398	1.3
81.07018	1.0
83.01337	1.1
83.04982	1.0
85.02901	1.4
91.05471	3.6
93.03407	0.5
95.04951	4.3
95.08569	0.7
97.02888	1.1
98.06059	6.3
99.00824	0.5
103.05448	0.7
105.03400	0.8
105.07014	1.4
107.04950	100.0
108.05283	2.1
109.02872	2.6
109.06482	0.9
109.10097	0.6
111.00823	2.3
111.04470	0.9
115.05442	1.1
117.06953	0.7
119.04942	22.9
121.02861	3.0
121.06536	0.6
123.04427	8.3
124.04717	0.6
125.02381	1.1
127.03918	4.5
128.06232	0.6
129.07005	0.8
131.04933	2.0
131.08571	0.5
133.02855	1.0
133.06471	2.7
135.04413	3.5
137.02390	0.7
137.05963	1.8
138.05489	1.8
139.03893	15.6
141.01767	2.2
141.06978	1.4
143.08571	0.5
145.06485	3.0
147.04407	17.6
148.04808	0.6
149.02321	3.3
149.05997	1.3
151.03889	15.7
153.01823	2.2
153.07010	1.7
155.08551	0.9
157.06476	3.7
159.04382	1.2
159.08051	0.9
161.02361	1.6
161.05960	3.4
163.03894	11.9
165.05486	3.9
165.07013	2.5
167.03407	11.1
167.04732	0.9
169.06493	2.7
171.04408	2.2
171.08046	1.8
173.06001	1.5
175.03912	11.0
175.07466	0.5
177.01848	0.6
177.05486	7.4
177.06903	0.5
179.03389	40.5
180.03798	1.3
181.04930	1.0
181.06461	0.9
183.04430	0.6
183.08031	1.3
185.05943	2.6
187.03879	3.4
187.07533	2.3
189.05470	5.1
191.03374	19.2
192.03833	0.7
193.04967	17.5
193.06685	1.1
197.05975	3.8
199.07561	1.9
201.05450	7.0
201.07162	0.7
203.03398	25.5
203.07047	1.3
204.03818	0.6
204.10222	0.6
205.04993	2.8
207.02849	4.1
207.06432	0.7
211.07498	2.4
212.81219	0.5
213.05467	6.1
215.03410	1.9
215.07022	3.3
217.04927	5.7
219.06448	0.5
225.05403	2.5
229.04955	8.3
230.05511	0.9
231.06517	41.2
232.06912	1.4
233.04440	8.7
239.07037	8.7
241.05019	2.6
243.06514	14.1
244.06815	0.6
245.04457	19.1
246.04790	1.3
247.05855	0.4
248.10185	0.6
249.03920	7.1
249.07393	2.7
250.04324	0.5
251.05510	4.6
255.06540	4.6
257.04514	11.7
257.08124	5.7
258.04871	1.5
259.06076	6.4
260.06177	0.5
260.09323	0.7
267.06509	19.7
268.07037	1.0
269.04504	0.8
271.06027	2.2
273.07645	1.2
275.05490	21.7
276.05966	1.0
285.07565	41.4
286.07935	1.9
287.05487	88.6
288.05774	4.2
289.06088	1.0
299.05453	7.7
393.09674	15.6
411.10495	6.1
411.20160	47.3
412.14203	1.0
412.20328	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.5
53.03930	1.1
55.01670	0.5
55.01873	5.3
55.05507	0.9
55.11678	0.5
65.03929	1.0
67.01841	0.9
67.05479	1.4
68.99781	8.9
69.03433	1.1
70.06579	0.7
70.78031	0.6
70.78365	1.1
71.01345	0.5
71.04986	0.7
75.23779	0.4
77.03936	0.8
79.05501	2.7
81.03398	1.3
81.07018	1.0
83.01337	1.1
83.04982	1.0
85.02901	1.4
91.05471	3.6
93.03407	0.5
95.04951	4.3
95.08569	0.7
97.02888	1.1
98.06059	6.3
99.00824	0.5
103.05448	0.7
105.03400	0.8
105.07014	1.4
107.04950	100.0
108.05283	2.1
109.02872	2.6
109.06482	0.9
109.10097	0.6
111.00823	2.3
111.04470	0.9
115.05442	1.1
117.06953	0.7
119.04942	22.9
121.02861	3.0
121.06536	0.6
123.04427	8.3
124.04717	0.6
125.02381	1.1
127.03918	4.5
128.06232	0.6
129.07005	0.8
131.04933	2.0
131.08571	0.5
133.02855	1.0
133.06471	2.7
135.04413	3.5
137.02390	0.7
137.05963	1.8
138.05489	1.8
139.03893	15.6
141.01767	2.2
141.06978	1.4
143.08571	0.5
145.06485	3.0
147.04407	17.6
148.04808	0.6
149.02321	3.3
149.05997	1.3
151.03889	15.7
153.01823	2.2
153.07010	1.7
155.08551	0.9
157.06476	3.7
159.04382	1.2
159.08051	0.9
161.02361	1.6
161.05960	3.4
163.03894	11.9
165.05486	3.9
165.07013	2.5
167.03407	11.1
167.04732	0.9
169.06493	2.7
171.04408	2.2
171.08046	1.8
173.06001	1.5
175.03912	11.0
175.07466	0.5
177.01848	0.6
177.05486	7.4
177.06903	0.5
179.03389	40.5
180.03798	1.3
181.04930	1.0
181.06461	0.9
183.04430	0.6
183.08031	1.3
185.05943	2.6
187.03879	3.4
187.07533	2.3
189.05470	5.1
191.03374	19.2
192.03833	0.7
193.04967	17.5
193.06685	1.1
197.05975	3.8
199.07561	1.9
201.05450	7.0
201.07162	0.7
203.03398	25.5
203.07047	1.3
204.03818	0.6
204.10222	0.6
205.04993	2.8
207.02849	4.1
207.06432	0.7
211.07498	2.4
212.81219	0.5
213.05467	6.1
215.03410	1.9
215.07022	3.3
217.04927	5.7
219.06448	0.5
225.05403	2.5
229.04955	8.3
230.05511	0.9
231.06517	41.2
232.06912	1.4
233.04440	8.7
239.07037	8.7
241.05019	2.6
243.06514	14.1
244.06815	0.6
245.04457	19.1
246.04790	1.3
247.05855	0.4
248.10185	0.6
249.03920	7.1
249.07393	2.7
250.04324	0.5
251.05510	4.6
255.06540	4.6
257.04514	11.7
257.08124	5.7
258.04871	1.5
259.06076	6.4
260.06177	0.5
260.09323	0.7
267.06509	19.7
268.07037	1.0
269.04504	0.8
271.06027	2.2
273.07645	1.2
275.05490	21.7
276.05966	1.0
285.07565	41.4
286.07935	1.9
287.05487	88.6
288.05774	4.2
289.06088	1.0
299.05453	7.7
393.09674	15.6
411.10495	6.1
411.20160	47.3
412.14203	1.0
412.20328	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
69.03416	0.5
71.59776	0.4
76.92663	0.3
80.68419	0.3
81.03428	0.3
83.05000	0.3
85.02890	0.5
95.04979	0.4
95.49575	0.3
97.02885	0.5
103.05402	0.3
107.04948	2.0
109.02888	1.0
119.04934	1.0
123.04444	2.3
127.03883	0.3
135.04387	0.4
136.06186	4.6
139.03880	1.2
143.04855	0.3
147.04388	1.2
151.03894	0.5
153.01788	0.8
161.05972	0.6
163.03899	1.7
167.14293	0.5
176.83058	0.3
177.05457	0.6
179.03377	0.9
187.03824	0.5
191.03394	0.5
193.04953	0.6
203.03380	0.7
207.06554	0.5
213.05479	0.3
217.05009	0.5
231.06516	0.9
241.04967	0.7
243.06537	1.1
245.04555	0.5
247.05988	0.5
251.11165	0.3
259.06064	2.8
271.05942	0.5
273.07443	0.4
274.87820	0.3
275.05597	0.6
285.07556	1.2
285.33066	0.3
287.02621	0.3
287.05420	2.1
289.05832	0.4
311.38190	0.3
315.01373	1.0
393.09155	0.4
411.08942	100.0
411.19821	8.8
412.09283	1.9
412.14078	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45208	0.4
55.05511	0.9
58.99587	2.6
59.04980	0.4
60.87250	0.5
66.11498	0.4
66.21352	0.4
67.05482	1.0
68.14182	0.5
69.03413	0.5
69.07068	1.0
70.15593	2.2
70.47054	0.5
73.24018	0.5
76.02225	6.0
79.05480	1.3
81.07034	2.4
83.04975	1.1
85.02909	1.5
86.99042	1.9
91.05482	0.8
93.07034	2.0
95.04971	7.3
95.08599	2.7
97.06542	1.3
98.97593	0.7
105.00088	3.3
105.07030	2.7
107.04926	0.8
107.08597	2.1
109.06513	10.5
109.10149	5.4
111.08081	1.1
119.08587	3.8
121.06503	0.9
121.10165	0.9
122.02724	49.4
123.04418	1.0
123.08057	2.5
123.11687	1.6
125.09605	1.4
130.28949	0.5
131.08592	1.1
133.10126	3.1
135.08035	1.1
135.11687	1.7
137.05969	5.1
137.09595	2.1
139.11188	3.4
143.08543	1.3
145.10114	2.2
147.08018	1.0
147.11682	2.2
149.09569	0.7
151.07507	1.2
151.11150	1.8
153.09129	0.5
157.10176	1.0
159.08052	1.1
159.11719	1.1
161.09612	1.4
163.07610	0.8
163.11218	1.5
165.12758	1.9
169.10106	3.0
171.11656	2.2
173.09651	0.6
173.13184	0.5
183.11711	1.2
185.09587	0.9
185.13295	1.0
187.11179	1.6
187.14793	2.2
189.12782	1.3
191.14302	0.7
196.12590	0.6
197.13271	0.5
201.09126	0.8
201.12685	1.1
201.16382	1.2
203.05257	0.6
203.14343	0.5
203.94394	0.5
205.15942	1.8
211.14868	2.7
211.16708	0.7
213.12740	0.5
229.12285	0.7
229.15891	5.4
231.11380	0.5
235.14781	0.7
247.16924	100.0
248.17229	4.5
253.15831	1.6
257.04343	0.8
258.04825	0.8
271.16888	7.8
289.14954	1.0
289.17984	12.4
381.18845	1.3
406.86838	0.5
410.09509	0.6
410.20050	11.0
411.11169	0.7
411.19922	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	409.3826
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
51.34922	1.6
53.03947	2.3
55.05508	18.9
57.07064	8.0
58.73891	2.0
67.05176	1.7
67.05505	23.4
69.07064	46.3
71.08624	3.6
71.33339	4.2
73.77917	1.5
79.05488	13.2
81.07052	72.0
82.07374	2.0
83.08607	18.9
87.70094	1.8
91.05472	7.9
93.07035	23.8
95.08597	71.0
97.10152	11.2
105.07029	22.6
105.71123	1.8
107.08581	34.8
109.10149	50.3
111.11710	5.4
119.08565	21.5
119.99843	1.6
120.08941	1.7
121.10129	33.4
123.11710	26.2
131.08559	6.0
133.04280	1.7
133.10109	22.8
135.11678	22.3
137.13252	15.8
143.08542	3.7
145.10104	13.3
147.11665	18.2
149.13260	20.3
151.14714	3.1
157.10101	3.6
159.11673	14.9
161.13216	14.9
163.14813	15.2
171.11627	2.9
173.13249	10.3
175.14847	11.3
177.16376	7.6
185.13243	2.6
187.14828	7.9
189.16350	12.5
191.18010	7.4
191.40945	1.7
196.63139	1.9
199.14793	1.8
201.16402	8.0
203.17978	10.1
205.19531	4.2
213.16437	4.0
215.17891	8.9
217.19527	6.6
219.21115	2.8
229.19409	8.5
231.21086	6.5
241.19699	1.9
243.21010	4.1
257.22708	8.0
259.24255	6.2
269.22607	2.5
269.48364	1.8
271.24234	5.8
285.25717	6.5
297.25732	4.1
299.27341	3.9
311.27264	2.3
313.29031	2.6
323.91409	1.9
325.28995	2.2
327.30502	6.3
339.30353	2.3
353.32019	3.7
367.33469	3.0
409.38284	100.0
410.38651	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	409.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.9
55.05507	16.4
57.07059	4.4
59.04972	2.9
67.05498	27.8
68.22317	2.2
69.07063	19.2
69.29908	25.2
71.04983	16.6
77.52225	2.5
79.05498	17.5
81.07055	96.0
82.07350	2.7
83.08609	10.3
85.06563	5.3
89.06042	2.5
90.72594	2.1
91.05486	22.9
93.07039	88.3
95.04971	7.3
95.08604	93.4
97.10161	9.4
102.64724	2.3
105.06381	4.5
105.07033	54.2
107.08592	73.3
109.06508	7.5
109.10149	53.9
111.08087	16.8
111.11699	3.5
113.09645	8.2
117.07024	5.2
119.08578	94.0
120.08949	2.5
121.10143	67.3
123.11707	31.1
129.06946	2.9
130.07776	2.4
131.08522	15.4
133.09222	3.9
133.10139	44.5
135.08090	2.7
135.11681	44.4
137.09615	6.6
137.13303	11.1
143.08594	7.1
145.10123	27.3
147.11693	36.5
147.93379	2.1
149.09581	3.1
149.13252	83.6
150.13472	2.4
151.11244	3.9
157.10123	11.4
159.11681	36.5
161.13255	37.0
163.14818	31.1
164.12173	2.1
165.16232	2.9
169.10083	3.5
171.11674	7.6
173.13268	24.0
175.14824	20.1
177.12685	5.8
177.16393	10.9
183.11742	3.1
185.13274	8.2
187.14792	23.4
189.16368	30.7
191.14323	3.4
191.17940	12.3
196.12619	2.6
199.14862	7.4
201.16400	13.3
203.17970	18.4
211.14790	3.4
213.16312	11.9
215.17932	16.0
217.19485	35.4
225.16391	3.1
227.17899	11.3
229.19566	13.5
231.21083	15.9
241.19516	6.2
243.21068	5.2
245.19215	3.2
255.21037	8.5
257.22531	14.6
259.24136	18.2
267.21106	2.7
269.22650	5.3
271.24249	3.2
281.22607	4.8
283.24200	4.2
285.22488	3.6
295.24463	2.9
297.25864	3.2
325.29156	2.9
327.26581	2.9
349.02344	2.4
351.30493	23.9
391.33514	23.4
409.34656	100.0
410.34985	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	409.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	5.2
57.87624	1.8
66.63538	1.8
67.05485	6.9
69.07057	3.7
69.63145	8.4
69.63570	6.6
71.04993	10.7
75.03123	1.9
79.05477	5.4
81.07034	11.1
89.06003	6.0
89.39737	1.9
89.56326	2.3
91.05473	8.4
93.07021	12.3
95.04969	3.0
95.08601	21.8
97.10264	2.0
105.07037	18.6
107.08579	11.6
109.06513	4.9
109.10147	8.4
111.08080	3.7
117.07012	2.0
119.08560	12.6
121.10137	16.7
123.08073	12.2
123.11684	3.4
131.08589	3.3
133.10100	4.6
133.59746	2.0
135.08015	6.9
135.11668	3.7
143.08493	3.6
145.10139	9.8
147.11639	8.3
148.20763	2.1
149.09592	2.5
151.07535	100.0
153.66951	1.9
157.10158	4.2
159.11615	5.9
161.13193	5.6
163.11159	4.7
165.09071	3.5
171.11699	2.9
173.13310	2.6
174.41588	1.9
175.07535	4.8
176.08200	2.2
177.09106	12.9
187.14729	2.9
189.09103	19.0
191.10657	40.9
195.12215	3.5
201.12482	2.5
201.16386	2.7
202.09875	2.3
203.10655	10.9
205.12209	7.2
215.10597	2.7
217.12294	10.3
229.12204	3.0
257.15262	3.4
259.16815	2.4
325.21484	4.9
409.18445	4.8
409.26956	25.1
432.56570	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	409.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	6.6
57.07047	3.4
67.05502	16.5
69.07062	21.0
70.15456	6.6
79.05476	9.9
81.07049	30.6
83.04968	2.1
83.08611	7.2
87.69746	1.2
91.05467	9.9
93.07034	30.1
95.00323	1.2
95.04978	2.8
95.08601	62.4
96.08949	1.4
97.10166	3.6
104.98098	1.3
105.07015	25.2
107.08589	50.8
109.06524	2.2
109.10152	32.7
111.11685	2.0
117.06985	2.9
119.08575	27.9
121.06554	1.8
121.10138	43.5
123.11694	11.0
129.07028	1.7
131.08521	6.2
133.10117	30.2
135.08032	3.4
135.11681	21.8
137.13309	2.6
143.08516	2.2
145.10110	15.5
147.11679	21.2
149.09616	1.7
149.13248	38.0
151.11151	1.2
157.10110	3.1
159.11726	8.9
161.09656	2.0
161.13261	13.3
163.11148	12.2
163.14798	26.2
171.11690	3.0
173.11946	1.7
173.13239	7.3
175.11197	2.1
175.14809	22.4
177.12810	3.8
177.16368	44.6
178.16795	1.6
181.05132	1.4
187.14803	18.1
189.16373	16.8
191.17926	10.4
199.14717	1.5
201.16391	7.8
203.17949	100.0
204.18292	3.1
205.15869	60.0
205.19550	4.5
206.16173	2.9
213.16393	4.0
215.17952	4.4
217.19447	2.8
219.17383	7.3
227.17938	3.0
231.17480	4.3
231.21140	2.0
233.18922	2.1
241.19565	1.9
243.21121	2.4
245.18985	2.1
255.21162	3.0
259.65631	1.4
267.20966	1.7
381.35074	2.5
382.68250	1.7
391.33655	8.1
409.25916	3.8
409.34653	93.2
410.35062	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	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.3
53.66813	2.3
54.71714	2.8
55.05507	16.9
57.07055	2.7
59.04987	4.5
67.05502	22.3
69.03419	6.8
69.07064	14.1
71.04988	4.0
79.05489	25.1
80.43034	3.1
81.07053	36.8
83.04954	4.9
83.08606	4.6
85.06515	3.6
91.05476	37.9
91.62716	2.9
93.07041	46.3
95.04965	44.4
95.08604	25.5
97.06549	6.5
98.21502	8.2
103.05475	4.5
105.07025	100.0
107.04927	3.8
107.08591	24.7
109.06501	11.6
109.10141	16.2
117.07018	13.7
119.08581	65.0
121.06513	18.5
121.10131	18.6
123.08047	16.1
123.11653	5.6
129.07004	8.2
130.07788	6.2
131.08548	24.1
133.06456	5.1
133.10143	23.4
135.08046	13.3
135.11667	10.8
137.09569	8.8
137.13162	3.7
141.06953	3.1
142.07758	12.2
143.08511	17.3
144.09253	3.5
145.10107	43.3
147.08031	17.2
147.11691	44.8
147.90973	2.7
149.09579	11.6
151.07521	15.3
155.08513	6.3
156.09325	5.7
157.10121	20.8
159.08012	4.7
159.11638	18.6
161.09590	8.2
161.13295	4.6
163.11169	3.8
165.09114	29.8
167.08481	3.3
168.09315	5.7
169.10100	10.7
171.11655	10.3
173.09618	6.0
173.13242	8.5
175.11176	28.5
175.14777	2.8
177.09196	3.7
179.55518	2.7
181.10150	4.3
182.10945	2.8
183.11664	18.7
185.13266	7.9
189.12709	5.1
191.14323	4.5
195.11633	4.2
197.13171	4.4
199.11160	3.9
199.14581	2.9
201.12807	8.4
201.16347	3.4
203.14351	13.4
207.13826	7.7
209.13127	2.7
209.15395	4.1
210.73816	2.7
211.14709	3.1
213.12764	2.8
213.16302	3.0
219.13808	2.8
220.12459	3.4
221.13377	4.0
221.15341	62.6
223.14764	3.5
225.16252	3.9
227.14278	3.9
229.15834	5.8
234.16180	15.3
243.13715	2.8
249.16502	3.1
255.13857	3.8
257.15036	3.1
287.20071	4.0
300.20850	6.6
329.21213	4.8
391.25952	4.6
409.18619	4.9
409.27237	56.0
409.35086	3.5
410.27496	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.7
56.96579	0.5
59.63483	0.4
67.05499	2.7
69.07050	0.9
73.71191	0.4
79.05478	1.3
81.07048	1.6
83.05014	0.5
83.08624	0.5
91.05480	1.1
93.07036	1.8
95.08587	2.0
105.06990	0.9
107.08604	1.4
109.10155	2.7
119.08562	0.9
121.10043	0.8
123.11726	0.7
135.11705	1.1
136.54919	0.4
145.10086	1.0
153.12738	0.7
171.11736	0.4
187.14706	0.5
202.44113	0.5
242.66405	0.5
257.04453	0.9
409.25607	100.0
410.25922	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	409.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.4
56.82481	0.3
57.03411	0.3
67.05463	0.4
68.99783	0.3
71.60062	0.4
71.99984	0.3
76.33899	0.3
81.07064	0.3
85.06564	0.3
91.05465	0.4
107.04929	0.3
107.08616	0.4
109.10159	0.6
110.27934	0.3
116.13074	0.3
119.04907	0.4
119.08601	0.4
123.04432	0.6
129.06978	0.3
131.04942	0.3
135.11674	0.6
136.12053	0.4
147.04430	0.7
151.07658	0.3
153.01839	1.0
162.06552	0.4
163.03877	0.3
165.05569	0.3
173.05785	0.6
177.05418	0.3
201.05502	0.4
203.03610	0.3
203.05229	1.4
211.16928	1.3
212.17230	2.7
215.03568	0.4
229.04951	1.1
229.11990	4.6
230.05641	0.4
245.04468	0.7
247.09433	5.6
247.13066	2.6
247.16930	0.3
257.04446	4.7
258.04965	0.5
259.02368	0.8
269.04459	0.4
271.05887	0.3
287.05618	0.7
293.04404	0.5
309.03854	0.4
311.05573	0.6
321.03943	1.6
339.04987	1.1
349.03500	0.7
350.04187	0.5
363.05008	0.5
366.03534	0.4
367.04471	1.9
381.06094	0.4
409.05463	16.8
409.18353	100.0
410.05692	2.2
410.13745	0.7
410.18573	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	409.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13182	0.2
56.05498	0.2
58.99253	0.2
71.53482	0.4
71.62952	0.2
85.31176	0.2
91.20810	0.2
98.97591	0.2
107.08573	0.3
109.10181	0.2
119.08504	0.2
121.10165	0.2
123.04362	0.4
137.07040	0.2
153.01779	0.2
174.88869	0.2
179.05119	0.2
185.04147	0.3
219.07950	0.2
247.13069	1.9
257.04449	0.6
391.08252	0.2
409.18286	100.0
410.18564	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	409.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
69.07085	0.3
71.57023	0.5
81.06978	0.3
85.02889	0.6
91.05462	0.4
95.04955	0.6
95.08611	0.7
105.07008	0.5
109.10167	0.3
110.60969	0.3
115.06298	0.3
119.08598	0.4
123.04414	0.9
147.04407	0.3
172.05035	0.9
185.04158	0.3
200.04561	0.6
203.94977	0.3
212.17308	0.4
218.05562	1.5
229.05002	1.1
245.04512	0.5
246.05000	0.7
247.09384	1.1
247.13249	0.6
247.16936	0.5
257.04385	4.5
258.05115	0.7
287.05557	0.9
301.08987	0.6
345.04578	1.3
363.02719	1.0
363.11002	0.7
381.03827	0.8
387.05783	0.7
407.24316	0.3
409.09351	3.7
409.18326	100.0
410.18604	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	409.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55207	0.3
58.29297	0.3
62.48642	0.3
69.35094	0.3
69.80836	2.1
98.21469	0.4
98.97556	0.8
107.08600	0.6
116.98634	0.3
123.04325	0.4
129.42767	0.3
132.39616	0.3
149.09673	0.4
149.13214	0.3
158.99612	0.3
177.00699	0.3
209.15376	0.4
229.11942	0.8
247.13080	1.0
276.52408	0.3
283.12155	0.7
284.12384	0.6
285.09473	1.0
327.66492	1.5
328.16919	0.6
408.69159	1.8
409.18295	100.0
410.18781	2.8
427.15933	0.4
428.17245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39424	2.4
55.01855	3.1
55.05495	4.5
56.57545	2.8
69.03422	4.3
69.07051	9.7
71.04982	6.5
71.41846	3.6
81.07045	12.5
83.08620	3.7
85.02903	13.8
85.06520	4.6
91.05469	4.3
93.07036	13.3
95.04947	3.6
95.08600	23.3
95.37927	2.7
97.02897	4.7
97.06519	10.7
99.04452	5.3
105.07007	7.7
107.04941	19.3
107.08597	18.0
108.05284	10.4
108.08929	4.0
109.06508	5.6
109.10141	16.1
115.07562	3.9
119.08551	14.6
121.10133	4.4
123.04388	3.3
123.08041	9.2
123.11669	7.5
124.03965	3.2
127.03903	3.7
128.06244	3.2
129.05438	3.9
133.10138	20.2
135.11639	26.7
138.06387	3.0
145.45001	2.5
147.04395	7.5
147.11688	3.8
149.13206	6.7
151.10963	2.9
151.14827	3.1
153.01814	4.6
163.14789	5.4
167.07008	2.9
168.07413	3.4
170.76949	3.0
175.14818	38.5
179.14384	3.2
181.15842	5.0
193.15878	34.5
203.03410	4.8
211.16922	99.8
227.16386	3.2
228.16708	7.9
229.04915	7.6
229.14384	4.0
229.17947	11.4
245.04407	13.4
246.11194	2.9
247.09401	78.0
247.13094	4.9
257.04422	90.7
287.05453	9.8
359.12302	6.7
386.29248	2.8
408.17218	5.5
409.09048	33.5
409.14084	25.1
409.18997	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.9
56.22105	0.8
65.41158	0.8
67.05492	2.1
69.03413	1.1
69.07066	1.7
71.10430	1.5
71.10752	1.1
81.07029	2.6
91.05473	1.1
93.07043	1.4
95.08613	2.5
105.07003	1.0
107.04954	1.0
108.28574	0.9
109.10155	3.0
117.07047	0.8
119.08536	0.9
120.73833	0.8
123.04401	1.7
123.11730	1.2
145.10124	1.0
147.04422	0.9
153.01826	1.5
167.07097	1.4
185.04222	5.4
203.10411	1.6
229.21738	1.2
245.04471	1.2
247.09402	100.0
248.09769	3.2
257.04425	5.1
287.05563	1.3
346.20917	0.9
365.15686	2.1
376.36743	0.9
409.09094	3.0
409.14200	62.4
410.15149	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	408.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78533	1.8
53.03923	2.5
55.05504	7.5
56.96564	1.7
57.03414	4.0
59.04984	2.3
61.02910	1.8
62.24792	1.8
63.84152	1.9
65.03925	2.5
67.05504	15.8
69.03432	5.5
69.06462	2.1
69.07062	35.6
70.71916	5.5
71.04990	9.4
79.05476	8.5
81.03405	3.5
81.07040	20.6
81.88982	2.5
83.04959	2.4
83.08613	16.8
85.02902	13.4
85.06530	10.2
91.05463	12.1
93.07032	30.6
95.04946	6.7
95.08598	35.7
97.02872	3.4
97.06524	26.9
97.10169	3.3
98.97553	2.5
99.04455	6.6
99.08070	3.1
105.07003	14.9
107.04940	3.6
107.08575	32.8
109.06522	14.4
109.10150	40.9
111.08067	15.6
111.11720	3.9
115.07557	12.9
117.06966	2.8
118.97595	1.9
119.04922	4.1
119.08560	40.6
119.09351	3.3
121.10134	13.2
123.04419	6.2
123.08054	8.3
123.11700	8.3
125.05993	2.3
125.09612	5.6
127.03957	3.5
127.11196	4.6
133.10106	38.8
134.10472	2.6
135.08031	3.0
135.11678	24.4
137.06009	2.7
137.09612	22.4
141.09036	2.8
141.56288	2.1
145.04962	2.7
147.04494	2.4
147.11685	15.9
149.09584	2.8
149.13280	6.6
151.07581	2.9
151.11157	2.4
153.01819	19.3
153.12727	2.5
155.10641	40.1
161.05995	2.3
163.11142	4.1
165.12778	7.4
175.11209	8.2
175.14813	58.9
176.08324	2.5
176.15161	2.7
181.12242	4.6
183.10208	2.1
193.12224	12.4
193.15869	78.4
194.02565	1.9
194.16267	3.3
199.13268	4.5
201.03685	4.3
201.08896	3.2
209.15451	2.2
211.13289	83.7
211.16866	38.5
212.13695	4.3
212.17326	2.0
229.04837	2.6
229.14314	18.8
240.03180	11.2
245.04498	3.7
247.09338	2.6
257.04385	11.5
273.09634	4.4
287.05447	5.5
289.09061	3.0
303.10968	2.4
330.81119	1.9
347.12918	3.8
389.44098	1.8
408.16849	4.1
409.09183	13.1
409.18381	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.3
55.05499	9.3
57.03433	3.5
57.07071	2.5
67.05489	8.4
67.80769	2.0
68.11391	2.4
69.03414	5.4
69.07065	24.1
71.04973	7.5
71.51728	3.4
71.52057	2.7
72.53220	2.0
79.05479	7.1
81.03434	2.6
81.07052	14.5
83.04975	3.9
83.08610	9.3
85.02915	10.9
85.06538	10.8
86.09704	3.3
91.05473	7.8
93.07030	24.3
95.04964	5.5
95.08605	28.9
97.02901	5.1
97.06524	24.4
98.97588	2.4
99.04423	3.8
99.08067	5.2
105.07026	14.9
107.04960	3.8
107.08594	18.7
109.02861	2.0
109.06505	13.4
109.10146	33.0
111.08073	11.5
111.11688	4.4
115.07555	11.0
116.98595	2.9
119.04942	2.9
119.08569	33.5
121.06473	2.9
121.10136	12.5
123.04404	3.4
123.08054	6.8
123.11680	6.0
125.09613	4.1
127.03929	3.1
131.04948	2.5
133.10104	36.0
135.07994	2.2
135.11688	19.6
137.09599	20.8
147.04384	3.3
147.11670	13.7
149.13243	6.0
151.07582	3.9
151.11214	3.2
153.01836	15.4
153.12677	2.1
155.10658	34.3
161.05888	3.3
165.12695	6.3
165.16353	3.0
167.07069	2.9
175.11200	4.5
175.14827	44.7
176.08307	2.3
177.16376	3.3
181.12170	3.6
183.10182	2.6
193.12238	15.2
193.15874	68.3
193.17641	3.3
207.10210	3.0
207.74759	2.3
209.15334	2.3
211.13303	64.4
211.16888	42.6
212.13597	3.5
229.14381	18.8
237.02985	2.5
240.03195	6.0
245.04401	4.2
247.09488	3.6
257.04407	10.2
273.09647	4.1
287.05466	3.8
303.10794	3.2
347.13205	3.0
363.08582	2.4
391.08109	3.7
408.17776	2.6
409.09036	7.9
409.18420	100.0
430.32950	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63695	1.0
55.01864	1.2
55.05504	3.3
56.51427	0.7
57.07055	0.8
58.65163	0.8
59.04992	1.3
61.02913	0.9
64.59122	0.8
67.05508	3.9
67.53253	0.9
68.30751	0.7
69.03423	1.8
69.07069	9.5
70.15602	3.8
71.04988	5.6
79.05476	2.9
81.03422	1.0
81.07058	8.3
83.08612	4.6
85.02908	6.2
85.06536	2.1
91.05467	3.2
93.07047	9.9
95.04978	2.0
95.08052	1.2
95.08606	15.0
97.02882	1.2
97.06532	7.9
98.20734	1.0
99.04446	3.3
99.08081	1.1
100.77757	0.7
104.46049	0.7
105.07030	5.7
107.08594	12.6
108.03699	0.7
109.06534	4.1
109.09460	1.2
109.10161	18.5
111.08115	1.3
111.11702	1.8
113.09688	0.8
115.07574	5.3
119.08581	12.7
121.10137	7.6
123.08080	3.6
123.11694	11.5
125.09617	1.1
127.11160	2.4
133.10129	23.1
135.10677	1.4
135.11681	23.0
137.09586	4.0
137.13254	0.9
141.12744	1.0
145.04938	1.2
147.11642	5.0
149.13246	9.3
151.11115	0.9
153.12720	2.3
155.10616	1.3
157.21809	0.7
160.00070	0.8
165.12726	1.5
175.14818	43.4
176.15163	1.6
177.16377	2.6
193.15878	45.8
194.16273	2.1
200.33784	0.8
211.16927	100.0
212.17226	4.5
229.14349	7.6
243.62187	0.9
247.09427	1.3
257.04306	2.3
334.73218	0.8
358.16443	0.7
409.09204	1.6
409.18005	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35757	0.4
55.05497	1.6
57.03423	0.6
61.02915	0.8
61.83759	0.6
67.05478	1.1
69.03422	1.2
69.07050	4.4
69.51604	4.2
71.04987	15.4
71.31013	0.5
79.05493	0.6
81.03394	1.3
81.07061	2.9
83.04951	0.6
83.08613	1.0
85.02903	4.4
85.06525	1.8
91.05453	0.8
93.07049	3.6
95.08588	7.6
97.02856	1.5
97.06552	2.6
97.10129	0.6
99.04446	49.2
100.04832	1.0
105.07023	1.0
107.08591	5.4
109.02878	0.5
109.06509	0.7
109.10142	4.8
111.11703	1.0
113.09631	5.4
115.07557	3.5
119.08547	3.3
121.10139	2.2
123.08070	1.6
123.11684	2.3
125.09595	1.5
131.66936	0.6
133.10149	3.9
135.11674	18.7
137.05972	0.8
137.09628	0.9
139.11163	1.3
141.09097	1.1
141.12733	2.1
145.04968	0.6
149.13272	0.7
151.14751	2.6
153.09134	0.6
153.12671	1.7
155.09364	0.5
165.16379	0.5
169.15926	0.6
175.14825	5.8
185.04190	0.7
193.15895	6.6
209.15491	0.8
211.16913	100.0
212.17268	2.5
222.56517	0.5
229.04913	0.7
247.09404	1.7
257.04346	2.6
267.77524	0.5
288.37869	0.5
327.16074	0.6
335.74765	0.6
404.68280	0.6
409.08899	1.8
409.14786	3.7
409.19131	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75325	0.2
55.01861	0.4
56.01124	0.3
57.03415	0.3
61.02929	0.4
69.03407	1.1
71.59797	0.2
71.60232	0.4
78.04715	0.6
79.05492	0.6
81.03405	1.1
85.02435	0.3
85.02904	3.9
91.05492	0.6
93.07044	0.7
95.04974	0.5
97.02883	1.2
105.07011	0.5
106.04197	0.4
107.04937	0.9
109.02871	0.5
113.41051	0.3
116.98613	0.4
119.04922	0.5
119.08594	0.3
121.02847	0.5
121.06498	1.1
123.04433	4.9
124.05173	0.8
127.03914	0.6
131.04932	0.4
133.06496	0.5
137.06009	0.3
139.03867	0.7
145.04953	0.4
147.04414	0.9
148.03041	0.3
149.05925	1.6
151.03885	0.3
152.04646	0.8
153.01826	2.1
161.05974	1.0
163.03926	0.4
163.05984	0.3
167.07034	100.0
168.07346	1.9
175.03917	0.5
179.07043	0.3
181.08604	2.3
191.03348	0.3
193.05042	0.7
193.08632	3.3
201.05499	0.3
203.03403	0.9
211.09651	19.9
212.09978	0.3
215.03452	0.4
218.07759	0.3
229.04970	1.0
229.10703	15.7
234.99094	1.4
245.04399	1.7
247.06030	0.6
257.04468	3.1
258.05124	0.7
259.06180	0.3
269.04773	0.3
271.06003	0.5
283.06030	1.1
287.05478	3.5
303.05286	0.9
349.05707	0.4
391.78546	0.3
409.09137	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	408.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	15.2
56.96567	1.6
57.03418	3.4
57.07063	2.9
61.02916	1.9
67.05492	15.8
69.03415	2.8
69.07065	22.8
71.04984	5.4
71.61671	3.4
78.04740	1.8
79.05486	4.3
81.03430	1.8
81.07051	32.3
83.04974	1.8
83.08606	11.6
84.71668	1.8
85.02890	10.5
85.06530	2.9
87.64124	1.6
91.05472	12.6
93.07059	9.4
95.08599	68.4
97.02895	2.3
97.06521	3.1
97.10168	9.4
98.08989	1.6
98.97528	2.0
99.04446	3.0
99.08069	2.4
99.38123	1.6
105.07018	7.9
107.04897	2.7
107.08590	7.0
109.10147	18.3
111.08068	4.6
111.11694	7.1
113.09632	2.2
119.08546	10.7
119.28331	2.0
121.10110	5.6
123.04420	2.9
123.08068	2.6
123.11667	6.1
123.31754	1.8
127.03893	2.5
129.09111	7.3
131.07085	1.9
131.08620	2.0
133.10118	10.7
135.11690	7.9
137.09624	4.0
141.09059	3.0
143.10680	1.8
147.11691	7.0
149.13239	14.4
151.14795	56.6
153.01793	7.1
165.16409	3.7
175.14807	34.7
185.15398	2.9
193.15866	71.8
194.16209	3.4
197.15375	5.3
211.16905	100.0
212.17207	6.1
221.08179	2.8
222.08420	1.8
229.17937	26.4
230.18201	1.9
247.13087	5.1
249.37733	1.8
257.04431	5.2
287.05383	2.6
363.08795	1.9
408.20609	4.1
409.09006	6.1
409.18124	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	408.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35690	0.4
55.01848	0.6
57.03436	0.4
61.02892	0.6
65.03931	0.5
65.57397	0.3
67.05482	0.5
68.99795	0.5
69.03403	1.3
71.61128	0.6
71.61495	0.5
75.19285	0.3
78.04720	0.5
79.05489	0.9
81.03411	0.8
85.02888	3.8
86.09701	0.6
87.99329	0.5
91.05463	1.9
92.46491	0.4
93.07033	0.9
95.04935	0.5
97.02882	1.2
100.01830	0.4
103.05424	0.8
105.03400	0.4
105.07021	1.1
106.04168	0.4
107.04920	1.0
109.02835	0.7
109.06481	0.9
119.04941	1.6
120.87221	0.3
121.06468	1.9
122.03625	1.1
123.04415	7.2
124.05182	0.7
127.03864	0.6
133.06490	1.1
135.04407	0.4
137.05960	35.2
138.06241	0.5
139.03906	0.9
145.04926	0.5
145.06450	0.5
147.04410	3.4
148.55359	0.4
149.02354	0.5
149.05978	2.4
151.03891	1.5
151.07521	1.8
152.04683	1.0
153.01840	0.8
153.05431	1.0
161.05959	1.3
163.03888	0.8
166.06291	0.5
167.07019	100.0
168.07358	1.7
175.03864	0.9
177.05470	0.8
178.06261	0.4
179.07031	3.1
181.08549	3.1
187.03880	0.5
187.38380	0.3
189.05362	0.9
193.04951	1.2
193.08598	4.2
201.05513	0.6
203.03345	1.8
211.09634	41.3
215.03378	0.4
229.04994	1.2
229.10706	12.3
234.98969	0.7
245.04413	2.7
257.04398	4.7
258.05200	1.0
259.05859	0.7
265.05066	0.4
271.06009	1.6
276.64899	0.4
283.05978	1.7
287.05453	7.7
299.05264	0.9
408.07928	0.8
409.09088	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	408.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
53.03937	0.7
55.01864	0.8
57.03425	0.6
61.02909	0.8
62.06059	0.9
68.99787	1.3
69.03424	3.6
69.63232	0.2
71.04977	0.5
71.59283	0.4
79.01832	1.9
79.05472	0.4
81.03411	7.9
85.02903	4.6
85.30653	0.3
87.04456	0.3
91.05471	0.5
93.07010	0.4
95.04959	0.6
97.02878	4.5
99.04443	1.0
103.05458	0.3
105.03378	0.4
105.07034	0.5
107.01333	1.4
107.04928	0.9
109.02868	5.8
109.06509	0.3
119.04917	0.6
121.06462	0.4
123.04427	11.9
125.02322	3.2
127.03910	8.0
135.04385	0.3
137.05966	7.4
139.03880	1.1
143.03391	4.3
145.04945	1.1
145.06529	0.4
147.04417	1.9
149.02344	0.5
149.05994	0.7
151.03896	1.4
151.07536	0.6
152.04724	0.3
153.01817	100.0
153.62544	0.3
154.02173	1.7
161.05968	0.6
163.03900	0.7
167.07028	24.2
168.07405	0.4
171.02884	13.9
172.03271	0.4
173.05984	0.5
175.03906	2.3
177.01778	0.2
177.05482	1.3
179.03432	0.4
179.06993	0.6
181.04967	0.3
181.06479	0.7
181.08578	0.9
185.06091	0.4
187.03882	1.3
189.05452	1.0
191.03394	0.7
193.04945	3.2
193.08569	0.9
197.06096	0.3
201.05550	0.8
203.03358	3.4
203.06958	0.3
209.05939	0.4
211.09639	10.2
213.05457	0.7
215.03281	1.9
215.07001	0.3
217.04988	0.7
219.06561	0.4
227.06958	0.4
229.04962	3.3
229.10681	3.5
230.05782	0.4
231.06430	0.4
237.05576	0.6
241.04951	1.0
245.04445	4.9
255.06522	1.1
257.04422	7.3
257.07062	0.4
258.05188	1.0
259.06046	1.8
265.05008	0.9
271.06000	3.2
279.04956	0.4
283.06018	5.8
287.05481	13.3
297.05933	10.1
299.05478	2.0
315.07074	24.0
316.07639	0.7
325.07040	0.3
367.08151	0.4
391.08209	0.9
408.07883	0.7
409.09155	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	408.0471
Annotation	Unknow
Peak:m/z	Relative Intensity
67.83198	0.3
70.94543	0.3
71.13147	0.5
71.13507	0.8
74.31220	0.3
119.01907	5.9
134.99725	0.5
137.02916	2.9
153.00893	0.5
177.00941	14.0
178.01021	1.2
195.01965	0.5
200.02562	0.5
201.00902	0.9
217.04074	3.3
219.02002	24.6
220.02051	1.9
221.01846	1.2
225.00800	2.8
230.87636	0.3
235.00029	0.6
240.05711	0.4
242.03737	1.0
243.01981	5.5
258.99979	1.3
260.00134	0.6
261.03055	100.0
262.03177	6.1
263.03073	0.7
264.99008	0.5
274.99335	0.4
277.00992	1.8
278.01135	1.1
279.00928	0.8
282.02927	0.4
282.99866	2.9
284.00153	1.1
284.04645	5.5
284.99887	0.7
285.05124	0.4
300.03958	0.4
301.01050	5.1
301.04156	0.6
302.01123	2.5
302.03845	0.3
302.05875	0.7
303.00900	2.0
319.02307	0.6
367.02151	1.9
384.04785	0.6
385.03162	16.4
386.03159	1.5
403.04221	26.2
404.04459	2.1
408.04791	2.4
414.45316	0.4
426.05920	3.1
427.01175	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95465	1.8
55.05499	10.2
57.07077	4.4
58.25311	1.9
59.76510	2.2
67.05493	13.6
69.07066	35.0
69.71508	4.2
69.71928	9.4
79.05495	10.0
81.07053	61.6
83.08612	10.0
91.05488	5.7
93.07041	20.4
95.08041	3.8
95.08606	41.4
97.10180	6.3
98.20748	3.4
103.05457	2.2
105.07008	22.2
107.08586	24.3
109.10139	30.4
117.07009	2.2
119.08566	16.8
121.10125	21.8
123.11696	17.3
131.08556	5.2
133.10136	14.4
135.11687	14.8
137.13263	10.1
143.08545	3.0
145.10103	14.7
147.11703	20.1
149.13196	11.4
151.14851	1.9
157.10161	6.4
159.11688	16.1
161.13275	15.2
163.14851	7.4
171.11728	5.4
173.13199	10.7
175.14891	10.3
177.16359	6.7
185.13298	7.1
187.14806	8.5
189.16420	7.8
191.17938	3.4
198.14075	2.1
199.14803	3.2
201.16344	8.4
203.17906	6.0
213.16350	8.2
215.17957	7.4
217.19603	3.1
227.17918	5.0
229.19547	7.3
231.21161	3.0
235.00591	2.1
241.19676	5.3
243.21089	3.4
245.22537	2.4
255.21107	3.6
257.22748	7.4
269.22592	5.0
283.24225	6.5
304.47729	2.4
325.29068	5.1
337.28830	2.8
351.30582	4.0
407.36768	100.0
408.37021	8.2
431.00696	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.367
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03938	2.4
53.61854	1.8
55.05509	16.2
57.07072	9.8
67.05503	23.5
69.06726	3.3
69.07067	50.3
69.61841	12.9
71.08643	2.5
79.05488	14.9
81.07053	74.3
82.07380	2.4
83.08624	15.3
91.05484	13.4
93.07044	31.7
95.04977	2.4
95.08604	61.6
97.10162	8.9
98.20743	2.9
105.07024	26.4
107.08597	42.5
109.09459	3.4
109.10157	52.9
111.11712	4.9
117.07003	4.3
119.08567	28.5
121.10137	37.2
123.11700	24.7
129.07037	3.0
131.08560	13.6
133.10132	22.8
135.11696	25.9
137.13251	11.8
142.07788	2.3
143.08557	7.5
144.09320	2.2
145.10124	21.9
147.11682	25.3
149.13245	20.3
151.14821	3.2
157.10117	12.4
159.11673	22.4
161.13245	18.4
163.14818	13.1
169.10126	2.2
171.11694	10.5
173.13239	15.6
175.14786	11.9
177.16393	12.5
183.11717	5.7
185.13208	10.3
187.14795	11.1
189.16336	13.9
191.17972	5.0
197.13190	2.4
199.14841	8.2
201.16322	14.3
203.17947	7.2
205.19650	2.2
211.14757	1.8
213.16374	7.3
215.17976	11.3
217.19525	6.1
225.16348	2.2
227.17876	9.7
229.19565	10.5
231.21136	2.8
241.19556	5.7
241.49493	1.9
243.21077	4.9
248.56071	2.1
251.87056	1.8
253.19594	2.0
255.21028	7.0
257.22601	7.6
267.21075	3.5
269.22705	7.6
271.24203	4.0
281.22528	2.5
283.24139	5.2
285.25656	2.7
297.25760	5.1
299.27176	2.1
308.47754	2.3
323.27167	2.7
325.28821	5.6
337.28946	3.6
351.30444	5.5
365.31927	2.1
407.36716	100.0
408.36954	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
56.96578	0.4
67.05517	0.8
69.07052	0.9
69.68709	2.8
70.06593	0.6
79.05474	1.2
81.07050	1.3
83.08611	0.4
88.07654	0.5
91.05473	0.6
92.88676	0.3
93.07056	0.8
95.08628	1.0
103.82606	0.5
105.07013	0.9
107.08585	0.9
109.10162	0.7
110.99249	0.4
116.86720	0.4
119.08651	0.6
121.10153	0.4
133.10149	0.4
135.11613	0.4
135.30916	0.3
145.10080	0.4
147.11787	0.5
159.11668	0.6
165.38812	0.4
257.26639	0.4
285.10150	0.9
301.29324	1.6
337.16415	0.4
345.31943	0.8
349.16727	0.4
367.17810	0.5
407.24042	100.0
408.24350	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	407.3669
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05512	14.2
55.84272	2.2
57.00499	2.4
57.07083	4.4
67.05503	15.3
69.07068	31.2
69.21870	2.0
69.96150	7.0
69.96559	6.1
81.07055	27.4
83.08602	10.4
90.82687	2.4
91.05465	4.3
93.07027	8.5
93.47394	2.3
95.08048	4.1
95.08613	55.7
95.11352	2.3
97.10168	11.0
98.20715	3.1
105.07029	14.9
107.08584	19.8
109.10151	42.4
111.11723	11.5
119.08571	26.1
121.10135	14.9
121.80494	2.1
123.11714	17.4
125.13222	2.7
131.08536	14.2
133.10115	16.1
134.17055	2.3
135.11682	8.2
137.13255	12.2
143.08537	6.9
144.09328	3.1
145.10114	48.0
147.11691	10.9
149.13284	5.2
157.10141	13.0
159.11679	31.3
161.13281	8.6
163.14819	7.0
165.16417	3.4
171.11655	11.5
173.13263	10.5
175.14853	4.4
177.16403	6.3
185.13255	8.8
187.14821	6.0
189.16443	8.6
191.17966	4.3
199.14771	6.0
201.16356	13.4
203.17924	11.5
205.19489	3.7
213.16304	3.3
215.17950	6.6
217.19542	3.3
227.17931	5.4
229.19553	6.6
231.20999	3.4
241.19475	13.1
243.21155	8.8
255.21094	35.7
257.22513	4.3
269.22638	17.3
272.72089	2.3
297.25861	5.5
384.45456	2.5
407.36728	100.0
408.36884	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	17.5
57.07065	10.0
67.05501	24.7
69.07066	32.5
71.08629	3.2
71.52206	4.7
79.03210	2.2
79.05491	13.6
81.07048	58.8
83.08616	20.0
83.90688	2.3
86.87044	2.3
90.40799	2.3
91.05482	7.1
93.07027	25.7
95.08595	60.2
97.10146	6.1
105.07025	28.1
106.75388	2.4
107.08580	40.1
109.10146	51.6
111.11752	4.2
117.06960	3.7
119.08575	35.1
121.10130	30.9
123.11710	20.2
131.08559	9.1
133.10103	18.9
135.11690	26.9
137.13206	12.8
143.08556	4.8
145.10103	21.5
147.11693	21.6
149.13234	18.8
151.14796	4.0
157.10146	10.2
159.11710	22.5
161.13228	19.2
163.14813	14.1
169.10068	2.6
171.11656	13.6
173.13245	19.3
175.14854	15.0
177.16426	4.8
183.11774	3.9
185.13252	8.1
187.14792	17.4
189.16403	10.3
191.17917	3.7
199.14790	8.5
201.16357	13.7
203.17955	9.4
211.14861	3.3
213.16408	6.0
215.17943	7.8
217.19508	5.8
225.16345	2.4
227.17961	7.9
229.19531	6.5
231.21198	3.5
234.74265	2.5
236.25475	2.1
241.19466	3.3
243.21062	4.6
245.22618	4.6
249.25354	2.2
255.21066	6.0
257.22482	4.8
264.05350	2.3
269.22662	5.3
271.24173	5.1
278.61047	2.0
283.24240	3.6
285.25912	3.8
297.25800	5.2
323.27463	4.9
325.28961	3.9
326.78333	2.2
337.28806	5.2
351.30591	5.8
407.36725	100.0
408.37030	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	407.206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	7.0
55.05510	8.5
60.04518	7.6
67.05492	15.4
69.03418	73.6
69.07064	11.4
70.06569	11.9
70.98962	12.1
70.99304	5.7
71.04991	11.6
72.88848	5.8
79.05479	23.2
81.03403	7.8
81.07043	20.9
83.04967	14.9
85.02895	30.5
85.06552	5.6
86.09678	7.3
88.93688	6.6
91.05475	100.0
92.05804	5.2
93.07027	24.8
95.04947	27.9
95.08607	12.9
97.02933	6.2
97.06548	7.4
98.97603	13.1
99.04456	21.3
100.26347	4.6
103.05440	7.0
105.07037	27.8
107.04956	27.5
107.08546	28.8
108.08187	5.9
108.08939	7.8
109.06506	21.4
109.10151	9.1
115.05438	7.8
116.98621	9.7
117.06994	19.2
119.04931	10.2
119.08581	28.2
121.06504	22.0
121.10162	10.1
123.04433	37.2
123.08091	12.9
123.63570	5.0
125.07185	5.8
125.09628	6.7
128.06207	11.8
129.06966	16.8
130.06490	7.3
130.07820	5.2
131.08546	19.2
133.10118	24.1
135.08072	23.0
137.05992	6.1
137.09503	5.3
139.03900	18.7
139.07529	9.1
141.06972	7.8
142.07797	10.5
143.08539	21.4
145.06477	11.9
145.10127	7.6
147.04404	10.9
147.08058	27.2
149.05963	6.0
149.09607	12.9
151.07549	7.8
151.11180	9.2
153.06955	7.0
155.08543	11.7
156.09369	8.8
157.10080	11.9
159.08057	34.8
159.11755	7.4
161.05879	6.0
161.09622	21.1
163.07555	17.6
164.07922	12.9
165.05504	5.2
165.06967	11.1
167.07071	57.1
167.08470	9.8
168.07343	32.5
169.10005	11.6
171.08034	14.3
171.11673	7.3
173.09636	11.9
175.07541	16.2
175.11214	9.2
177.09097	16.2
179.08463	9.9
181.08640	10.3
181.10094	17.4
183.08083	7.4
183.11707	6.4
185.09604	13.5
187.07494	5.6
187.11288	9.5
189.09140	11.7
192.09323	9.8
193.10117	15.8
194.10921	6.6
195.07986	13.0
195.11679	24.2
197.09575	22.0
197.13300	12.8
199.11192	19.4
203.10635	8.5
207.11775	12.6
209.09627	10.8
209.13333	13.1
210.10370	10.6
210.12183	9.0
211.11171	18.3
211.13278	15.8
213.09174	6.8
213.12593	10.9
215.10596	9.0
217.10188	10.5
217.12123	8.2
221.09666	8.1
223.11174	20.3
223.14833	5.8
225.12715	31.1
227.09119	18.6
227.16487	15.4
228.09351	25.7
228.13039	8.1
228.16811	8.7
235.11177	18.0
237.02771	8.9
237.12740	8.6
241.12199	8.9
243.13898	9.6
245.04434	11.9
246.11353	7.1
247.14735	11.0
251.10706	7.5
251.14282	12.4
253.12120	34.3
255.06575	17.4
255.13838	7.8
260.11710	16.5
263.10773	6.1
265.15814	22.7
267.13867	6.7
275.14297	7.3
281.15494	6.9
283.16913	33.5
283.65305	6.0
293.15283	28.8
301.03299	9.9
311.16458	38.1
329.17432	32.9
334.11752	15.3
379.08179	8.6
397.11984	6.9
407.07861	20.9
407.14377	21.3
407.18665	8.7
415.12680	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	406.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	1.2
55.05508	14.5
56.05028	5.4
57.03419	3.5
58.99582	4.4
69.03443	1.2
69.07053	1.7
70.93377	3.5
74.00709	1.7
76.02222	12.1
79.05483	2.6
81.07048	13.6
83.04980	7.8
83.08617	10.4
84.04501	14.9
85.01101	2.3
86.00650	3.0
86.99059	3.6
87.02670	3.2
91.05457	1.2
93.07025	3.9
95.04941	1.4
95.08596	4.4
97.06522	2.7
98.09696	8.7
98.21059	1.4
99.08087	2.7
102.05540	3.7
105.07014	1.6
107.08592	5.8
109.10150	5.7
110.09715	1.7
111.08089	3.1
112.03978	1.8
113.04213	3.7
116.01670	12.6
118.26701	1.4
120.56149	1.1
121.10130	5.3
122.09691	1.8
123.08079	1.6
123.11700	2.6
125.09615	3.3
129.06589	3.0
130.05003	3.0
130.06873	2.6
131.55031	1.3
132.26294	1.3
142.03178	1.7
144.01125	4.9
151.11183	18.3
153.01849	1.4
156.08434	11.2
156.10197	6.2
157.06825	5.2
162.02168	11.5
167.14304	22.5
173.13231	1.3
174.09474	6.6
179.04852	4.0
191.14325	1.4
209.15352	100.0
210.11313	1.3
210.15662	3.6
216.06923	4.1
245.09328	1.3
259.11102	74.0
260.11493	3.5
313.12167	1.8
324.93146	1.4
331.13156	5.2
406.16293	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	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.01859	0.5
55.05510	15.7
57.03426	0.7
57.07058	0.5
57.85875	0.3
59.04988	1.2
61.02938	0.4
67.05499	2.5
68.07730	0.3
69.03123	0.3
69.03433	3.2
69.07063	1.4
71.04977	1.2
71.28939	0.5
71.29271	0.3
72.06855	0.3
73.02928	0.4
74.45433	0.3
76.91677	0.3
79.05494	1.6
81.03401	0.6
81.07057	3.8
82.85532	0.3
83.04982	18.2
83.08620	14.9
85.02909	3.0
85.06516	1.0
87.04459	0.4
91.05453	1.2
93.07043	4.0
95.04966	5.9
95.08603	3.4
97.02878	1.5
97.06538	3.0
97.10172	2.2
99.04454	1.6
99.08081	0.7
103.35925	0.3
105.07035	1.9
107.08600	7.6
109.02824	0.4
109.06525	3.0
109.10154	10.2
111.08070	3.3
113.06016	0.5
113.06759	0.4
113.09671	0.4
117.07004	0.7
119.08559	1.3
121.10139	4.5
123.04443	0.5
123.08058	1.3
123.11707	4.9
124.03885	0.4
125.05946	0.3
125.09637	4.0
127.03915	0.7
127.11218	0.7
131.08569	1.7
133.10127	5.2
135.08064	2.5
135.11688	1.3
136.39204	0.3
137.05981	0.8
137.09628	1.3
137.13252	0.9
139.03806	0.3
139.11171	1.3
145.04919	0.7
145.10124	1.4
147.11681	1.5
149.09634	0.5
149.13269	4.2
151.11186	21.4
152.11560	0.5
153.09097	3.2
155.10681	0.4
161.05981	0.4
161.44969	0.3
163.11143	0.6
163.14780	1.6
165.12730	0.9
167.14316	31.8
168.14690	0.8
173.13272	2.9
175.14813	0.5
181.12183	0.4
191.10666	0.7
191.14323	6.0
193.08522	0.4
199.28262	0.3
209.15366	100.0
210.15689	3.6
216.08377	0.4
227.12669	0.4
227.16351	3.2
228.10020	0.3
244.08032	0.9
245.04332	0.4
259.10992	0.4
310.08859	0.3
371.20682	0.5
397.77954	0.3
407.16745	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32053	0.3
52.90463	0.3
53.03934	0.5
53.78485	0.3
55.01859	0.4
55.05508	15.7
57.03429	0.4
57.61242	0.3
59.05000	0.8
59.29210	0.3
60.07077	0.4
61.02932	0.4
63.80168	0.4
67.05502	1.8
68.06670	0.3
69.03430	1.9
69.07052	1.1
69.37217	1.7
69.37641	2.1
69.82780	0.3
71.04979	1.0
79.05487	0.9
80.95805	0.3
81.03401	0.5
81.07053	3.6
83.04485	0.8
83.04980	15.6
83.08616	14.0
85.02891	2.8
85.06522	1.1
91.05467	1.2
93.07040	3.9
95.04964	2.9
95.08626	1.9
97.02885	1.1
97.06526	2.5
97.10159	2.6
99.08137	0.5
99.96317	0.4
105.07006	1.5
107.04974	0.5
107.07964	0.5
107.08600	6.1
109.06513	2.4
109.10145	8.6
111.08070	3.2
112.08889	0.4
113.09622	0.7
117.06993	0.7
119.08570	0.6
121.10136	3.6
123.08064	0.6
123.11711	3.1
125.09616	3.8
127.03851	0.4
131.08527	1.1
133.10121	3.9
135.08034	2.5
137.09613	0.6
139.11197	0.7
145.10100	0.8
147.11649	1.6
149.13261	3.0
151.11179	21.7
153.09079	1.7
163.05850	0.3
163.14801	0.8
166.93372	0.4
166.94759	0.4
167.14308	29.3
168.14565	0.7
173.13266	2.5
180.08621	0.6
191.10713	0.5
191.14319	4.1
209.15355	100.0
210.15707	4.1
227.16435	2.2
245.04314	0.5
371.20789	0.5
407.17007	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.05507	15.5
57.03422	0.5
59.04992	0.9
61.02925	0.4
67.05508	2.5
69.03436	1.7
69.07062	1.5
69.72936	0.6
69.73346	1.8
71.04979	0.8
79.05490	1.3
81.03390	0.6
81.07053	2.7
83.04976	8.0
83.08611	13.3
85.02903	2.2
85.06524	1.3
85.31844	0.3
86.08338	0.4
91.05475	0.6
93.07033	3.1
95.04948	1.4
95.08591	1.9
97.02873	0.7
97.06534	1.7
97.10164	3.1
99.04443	1.9
99.08118	0.8
105.07008	2.5
107.04950	0.7
107.08594	8.9
109.06506	0.9
109.10149	8.8
111.08073	3.1
113.09623	1.0
119.08541	1.5
121.06502	0.5
121.10133	3.9
123.11685	2.9
125.09599	3.0
127.03891	0.4
131.08514	0.8
132.01097	0.4
133.10141	2.2
135.08014	1.1
135.11667	1.0
137.05859	0.4
139.11172	0.6
145.10081	1.2
149.13237	3.7
151.11174	21.2
152.11469	0.7
153.09099	0.7
161.13277	0.6
163.11174	4.3
163.14835	0.5
164.11508	0.5
165.12817	0.6
167.07004	1.1
167.14307	23.4
168.14647	1.1
173.09552	0.4
173.13281	1.2
179.14313	0.8
181.12215	1.4
191.10690	3.3
191.14278	2.3
197.15364	0.8
209.15352	100.0
210.15697	3.9
227.12791	3.7
227.16409	2.0
371.43631	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.0
55.05504	5.0
57.03430	2.4
57.40559	1.0
59.04977	1.2
61.02905	2.1
65.33092	1.0
67.05489	3.8
69.03418	3.8
69.07059	3.1
69.61976	7.9
70.06556	1.1
71.04983	4.4
73.60698	0.9
79.05475	4.1
81.03436	1.5
81.07055	12.5
83.04976	3.5
83.08613	3.5
85.02914	9.4
85.06528	2.7
88.07924	0.9
88.92808	1.0
91.05462	4.0
93.07046	15.7
95.04973	6.4
95.08611	10.8
97.02863	2.9
97.06539	8.5
97.10157	3.8
99.04443	3.1
99.08083	3.0
105.07026	13.0
107.08589	13.7
109.02911	1.1
109.06518	14.8
109.10149	8.0
111.08037	2.1
114.19375	0.9
115.07552	3.9
119.08585	7.6
121.06444	1.2
121.10135	15.2
123.08073	4.6
123.11693	4.5
125.09612	2.6
127.03880	2.5
127.11216	1.1
131.08569	4.5
133.10120	20.9
135.08034	5.4
135.11665	3.6
137.09634	2.8
139.11176	4.7
141.09105	1.1
145.04971	2.3
145.10115	1.7
147.11688	17.4
149.09610	3.5
149.13293	8.6
151.11183	44.4
152.11636	1.1
153.09082	5.4
161.13293	5.9
163.14842	6.2
165.12753	10.9
167.06943	1.6
167.14307	3.2
168.84203	1.2
171.11653	1.0
173.13249	9.5
179.14287	2.9
183.13704	1.1
191.14297	20.3
197.15376	2.5
209.15363	58.8
210.15668	2.3
225.31667	0.9
227.16420	100.0
228.16756	3.9
245.04663	1.6
407.08292	1.2
407.16962	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	406.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.6
55.05260	1.0
55.05506	14.7
55.24444	0.6
56.05015	2.0
57.03438	0.9
58.99570	2.8
67.05488	1.1
69.03417	1.3
69.07044	1.5
70.14875	2.6
76.02222	3.9
79.05477	0.9
81.07056	5.7
81.77618	0.6
83.04964	7.6
83.08617	11.9
84.04502	5.4
85.02895	1.4
86.99031	1.2
87.02661	1.8
88.58238	0.6
93.07044	1.7
93.83870	0.8
95.08582	2.0
97.06506	2.2
97.10148	2.9
98.09678	4.5
99.08067	1.9
105.07040	0.8
107.08592	4.3
109.10169	5.5
111.08087	3.5
112.03928	0.8
113.04207	1.6
115.48647	0.7
116.01677	5.2
117.83173	0.7
121.10142	2.9
123.11711	2.6
125.09645	3.3
130.04996	1.3
130.06902	0.9
130.41609	0.7
133.10112	1.1
144.01161	1.6
149.13263	2.0
151.11169	16.9
152.11465	0.9
156.08440	5.7
156.10159	3.4
157.06836	2.1
162.02179	4.6
167.14301	21.1
173.13336	1.0
174.09499	3.1
179.04872	1.2
209.15353	100.0
210.11208	0.9
210.15701	3.1
216.06978	0.9
259.11105	30.5
260.11414	2.2
331.13174	2.1
331.38025	0.7
406.11371	0.9
406.16364	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32055	1.5
53.03911	2.0
55.01875	2.6
55.05506	15.9
56.96548	4.5
57.03423	2.2
57.07056	3.5
59.04990	2.5
65.88323	1.6
67.05503	8.3
69.03419	10.3
69.07039	4.3
70.06249	1.5
70.06579	10.1
70.93726	2.9
70.94063	1.9
71.04964	4.6
71.06908	2.1
76.02213	4.8
79.05485	10.2
81.03411	3.8
81.07051	26.6
83.04975	18.1
83.08601	12.8
84.04465	3.9
85.02887	15.7
85.06512	5.0
86.09657	2.2
87.04491	1.8
91.05461	6.4
93.07038	14.3
93.08006	1.7
95.04937	10.2
95.08597	24.7
97.02908	5.1
97.06533	11.1
97.10127	3.0
98.09696	2.1
98.97579	17.8
99.04427	2.9
99.08064	3.6
100.07919	1.7
105.07021	18.9
107.08584	18.9
108.12865	1.6
109.02859	2.1
109.06515	28.3
109.10149	17.8
111.08062	5.4
113.05992	1.5
116.01649	3.4
116.98624	15.7
117.06989	2.4
119.08549	13.1
121.06483	3.4
121.10137	28.4
122.09657	2.0
123.04414	6.2
123.08067	9.2
123.11681	12.8
125.09603	6.5
127.03861	4.8
130.04913	2.2
131.08565	12.2
133.06541	2.1
133.10120	24.6
134.56450	1.8
134.99652	5.6
135.08023	4.6
135.11639	4.9
137.05984	2.5
137.09567	2.6
139.03957	2.2
139.11172	2.4
141.08974	1.7
143.08568	3.4
144.01109	2.4
145.04971	1.8
145.10107	5.0
147.11664	17.0
149.09595	10.9
149.13268	10.7
151.07497	4.7
151.11165	19.6
153.01785	2.8
153.09091	10.6
156.08360	2.9
158.10883	4.6
158.99670	3.8
161.13179	2.5
162.02193	4.0
163.11143	2.5
163.14835	7.9
165.12726	2.7
166.49666	1.6
167.07034	5.0
167.10669	7.3
167.14304	26.4
173.13231	21.0
175.03844	1.8
175.14807	8.4
177.00703	4.8
177.05408	4.6
179.10643	2.4
181.15875	4.0
189.12721	3.3
191.10730	3.0
191.14282	21.5
207.06616	2.0
207.13866	4.4
209.15353	100.0
210.15508	2.6
219.01825	2.5
222.08337	2.2
227.13083	1.8
227.16431	22.5
237.02827	2.7
245.04430	5.2
259.11194	15.2
281.10593	5.3
294.10367	1.9
294.72510	1.6
303.04883	3.8
303.10968	4.1
305.10464	2.7
316.14240	3.6
323.11780	7.8
325.14911	6.3
325.65067	2.6
331.79861	1.8
341.12820	2.7
365.12332	2.5
388.16498	3.4
406.17422	13.9
406.67572	3.9
407.08734	3.1
407.17941	4.9
425.14853	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	406.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68122	1.6
53.22018	1.8
55.05522	9.3
55.05749	2.1
57.03433	2.6
57.07074	5.0
65.26839	1.6
67.05502	5.8
69.03422	9.2
69.07059	7.6
69.94965	4.8
69.95381	5.8
70.03732	1.7
70.06564	2.2
79.05480	12.8
81.07052	36.3
83.04967	32.1
83.08617	6.1
85.02911	10.5
91.05461	11.0
92.05823	2.9
93.07053	14.9
95.04952	7.5
95.08601	10.2
97.02879	2.3
97.06519	7.9
98.56708	1.8
99.04480	3.4
105.07020	10.4
107.04986	1.9
107.08578	35.2
108.53899	1.9
109.02864	2.7
109.06506	50.8
109.07249	2.6
109.10131	10.5
111.08060	8.1
113.05997	2.3
115.07553	2.5
119.08582	5.2
121.02916	1.9
121.06520	2.8
121.10133	50.9
122.10472	2.2
123.08115	4.5
123.11723	9.0
125.09598	11.7
127.03899	4.4
131.08469	3.4
133.10121	27.1
135.08054	6.1
135.11681	7.3
136.08405	1.8
137.09624	4.6
137.13272	5.0
145.04970	4.2
145.10121	2.3
147.11707	5.0
149.06027	1.9
149.13234	13.0
151.11171	6.5
153.09097	20.2
163.11150	2.3
163.14816	25.9
167.07088	3.4
167.14360	6.8
171.10254	2.2
173.13255	9.5
180.08777	1.9
181.15852	11.7
191.14287	34.6
193.08578	2.2
209.15340	100.0
210.15683	4.0
227.09033	2.0
227.16435	4.4
245.04730	2.0
250.09560	1.7
259.11197	2.0
282.15637	3.9
310.14893	2.1
328.16400	2.9
353.19449	2.5
371.20798	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	406.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.05502	2.4
55.99874	1.0
57.03433	1.1
59.04987	3.9
59.98952	1.0
61.02917	1.7
67.05492	2.8
69.03439	2.4
69.07076	6.4
69.52457	4.1
69.52885	4.9
71.04985	2.1
79.05058	1.5
79.05489	20.1
80.99213	1.0
81.03400	1.4
81.07053	31.7
83.04977	1.4
83.08609	2.9
85.02894	10.1
85.06506	1.1
91.05461	6.1
93.07029	11.6
95.04982	2.8
95.08611	13.5
97.02879	3.3
97.06535	9.7
98.21565	1.8
105.07014	8.0
107.05010	1.2
107.08587	100.0
108.08873	1.7
109.06521	4.8
109.10151	5.8
115.07519	2.1
119.08574	7.0
121.10137	27.6
123.08081	3.5
123.11668	1.3
125.09639	3.5
127.03952	1.3
131.08548	2.4
133.10112	5.8
135.11710	8.8
137.13268	1.7
145.04945	3.7
145.10121	1.7
147.11658	2.1
149.13254	4.2
158.85487	1.0
161.13235	13.9
163.14816	15.1
165.16388	1.2
169.95741	1.0
173.13254	6.9
175.14848	6.3
177.12769	3.0
179.14297	97.8
180.14679	3.2
181.12148	1.2
189.12828	1.6
191.14297	40.2
192.14650	1.6
193.15881	15.2
209.15359	56.9
218.84767	1.2
233.15337	1.9
299.16531	1.3
317.17471	3.0
335.18478	3.5
353.19693	6.7
361.04892	1.1
371.20828	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.2
55.05494	2.1
56.05033	5.9
57.03433	4.6
58.99578	10.8
61.01154	0.8
68.05013	0.8
69.07066	1.0
71.31786	1.1
71.32147	1.1
72.08138	1.0
73.01157	0.9
74.00653	1.5
75.01519	0.6
76.02225	18.6
76.03995	1.8
79.05483	4.5
80.05017	1.2
81.06577	1.0
81.07050	17.6
83.06084	0.7
84.04499	25.9
84.08132	0.8
85.01133	3.4
86.00640	3.7
86.99046	6.0
87.02686	5.8
88.02192	2.4
89.80363	0.7
95.08604	3.7
96.04439	0.7
96.08105	0.8
97.01085	1.1
97.06516	1.6
98.09686	11.9
99.05576	1.2
99.08087	3.7
102.05514	4.2
105.07027	1.6
110.09660	2.0
111.08066	0.8
112.03946	4.5
113.04224	5.9
115.05796	2.0
116.01664	19.9
118.01523	0.7
122.09653	2.0
123.08031	0.7
123.10404	0.6
127.05805	1.3
129.06577	2.8
129.07399	1.1
130.04987	7.2
130.06842	4.0
130.08641	1.4
139.05731	1.8
142.03215	1.9
142.04976	0.6
143.02673	0.9
144.01132	8.3
145.06001	1.2
156.08412	19.1
156.10187	9.7
157.06808	8.9
162.02194	20.1
167.06993	4.6
174.09479	12.0
176.17010	0.7
179.04846	7.3
189.03365	0.8
209.08083	1.6
209.15388	0.8
210.11278	2.7
216.06842	5.5
227.09114	1.6
233.05826	1.3
242.08391	1.1
245.05884	1.1
259.11096	100.0
260.09122	1.0
260.11414	2.2
277.12106	2.0
285.12659	1.8
291.06186	0.8
300.87729	0.8
308.09067	2.0
313.12094	4.6
331.13116	5.3
343.13028	1.0
388.15234	2.3
389.14166	1.0
396.73898	0.8
406.16391	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	406.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.4
53.03928	0.9
53.73603	0.3
55.05507	1.7
56.96549	0.4
57.03420	0.5
61.02919	0.5
67.05462	0.3
67.31012	0.3
69.03427	3.6
69.91579	1.8
71.04983	0.7
79.01849	2.3
81.03409	8.8
81.07040	0.3
83.04963	1.2
83.08605	1.1
85.02895	3.2
91.05457	0.4
93.07048	0.4
95.04944	0.4
95.08585	0.5
97.02874	5.4
97.06533	0.3
97.10162	0.3
99.04452	1.6
101.31883	0.3
105.07032	0.4
107.01308	1.3
107.08601	0.4
109.02210	0.5
109.02875	6.0
109.06468	0.4
109.10131	0.9
111.08125	0.3
116.98627	0.6
119.12905	0.4
121.06467	0.4
121.10139	0.6
123.04362	0.5
123.08099	0.3
123.11686	0.3
125.02354	3.0
125.09640	0.4
127.03902	6.7
128.07870	0.3
143.03371	4.2
145.04964	1.6
146.55270	0.3
146.88626	0.3
151.11154	2.0
153.01814	100.0
154.02173	0.9
159.07954	0.3
167.07034	0.8
167.14293	2.3
171.02875	15.8
173.13353	0.4
193.63567	0.3
199.09637	0.5
209.15344	11.7
223.09236	0.3
265.11166	0.4
297.03174	0.3
297.06003	12.0
315.07077	16.1
388.21088	0.4
406.10715	0.7
406.17944	0.4
406.22318	0.8
407.08908	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37716	6.6
53.03946	7.5
55.05505	11.5
67.05485	20.4
69.03418	68.0
69.07069	14.9
79.05494	19.7
81.07055	23.8
81.99758	6.2
84.80986	6.0
91.05479	35.8
93.07043	35.0
95.04964	36.5
95.08605	56.6
98.20679	10.2
99.04477	8.9
105.07015	28.3
107.08602	21.5
109.06528	17.3
109.10149	20.2
110.10466	8.4
111.08004	7.7
117.07034	14.1
119.08543	34.1
121.06497	16.5
121.10102	22.4
123.08057	34.6
123.11665	13.4
128.06178	10.2
129.07014	9.1
131.08572	23.4
133.10135	28.1
135.07994	17.0
135.11720	11.3
137.06047	8.4
142.07765	9.4
143.08554	22.1
145.06491	15.1
145.10114	29.2
145.13507	7.4
147.08026	25.4
147.11621	9.4
149.09595	12.8
153.07057	9.8
154.07805	8.0
155.08521	14.4
157.10123	18.0
159.08051	33.2
159.11671	16.8
161.09605	35.7
165.07004	9.6
167.08565	18.3
169.10104	15.9
171.08032	17.5
171.11670	13.3
172.08855	8.4
173.09612	15.3
173.13333	10.1
175.07593	9.5
177.09082	19.5
179.07039	9.8
179.08604	17.2
180.09309	15.3
181.06514	10.1
181.10106	27.2
183.08032	12.0
183.11656	20.2
185.09662	21.9
187.11113	11.9
189.16487	9.4
193.10091	24.0
194.10939	10.6
195.08020	10.7
195.11604	17.9
196.08838	15.8
197.09630	25.2
197.13248	8.8
199.11208	13.5
199.14731	10.4
201.09045	8.2
203.10640	11.2
205.10185	8.9
207.11627	16.3
208.08870	13.0
209.09639	22.8
209.13298	8.5
210.10387	9.0
211.11195	56.1
213.12817	21.6
215.10690	17.6
218.07401	8.5
221.09613	15.9
221.13275	8.5
223.11157	35.8
225.09132	14.0
225.12698	11.9
229.17247	8.3
233.09662	27.6
234.10393	8.8
237.12749	9.7
239.10533	14.2
241.12206	16.0
246.29810	8.4
248.11906	17.0
249.12682	11.4
251.10622	35.8
251.14272	9.4
253.12320	8.2
253.15897	10.4
261.09219	10.7
263.14328	47.7
265.12119	10.5
267.13828	20.0
267.21039	8.3
269.11682	46.9
269.22784	9.9
276.11343	9.7
281.15387	29.6
291.13751	28.0
299.16333	16.4
309.14767	73.9
311.12912	40.2
327.15897	100.0
345.16989	27.7
405.35068	69.6
405.41574	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	405.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	18.0
67.05494	25.0
69.03429	76.4
69.07073	11.2
70.92381	22.6
79.05476	20.2
81.07043	28.0
83.04991	21.5
91.05495	69.4
92.05788	17.8
93.07052	16.7
95.04964	37.3
95.08604	29.8
99.04434	12.1
105.07054	46.0
107.04977	11.6
107.08601	30.3
109.02870	15.3
109.06528	32.4
117.07064	10.1
119.08600	31.2
121.06526	14.9
121.10138	34.7
123.08035	36.6
128.06204	21.4
129.07005	20.2
131.08562	21.9
133.10107	20.1
135.08072	21.2
137.05960	25.3
139.09190	11.6
143.08542	23.0
147.08051	17.5
155.08510	22.6
157.06490	16.8
157.10144	14.9
159.08054	27.3
161.09665	29.0
165.07005	25.8
169.10030	18.7
171.08037	17.3
173.09671	27.3
175.07703	10.1
177.09055	13.4
178.07748	20.5
179.07019	24.5
179.08543	17.7
180.09328	22.0
181.06511	10.8
181.10112	16.8
183.08105	18.3
183.11639	13.4
184.08882	12.2
185.09737	13.3
187.07524	15.3
187.11208	10.5
193.08592	21.5
193.10199	22.7
194.08998	24.7
194.10915	10.0
195.11607	12.3
196.08813	22.8
197.09698	24.7
198.10347	13.1
199.07626	14.2
199.11143	11.7
202.09679	13.0
202.31053	9.7
203.10661	19.7
205.10181	18.3
206.10962	10.2
207.11839	12.3
208.08771	17.1
209.09647	27.1
209.15347	26.6
211.11211	43.4
213.12677	21.6
215.10698	11.0
221.09666	21.2
223.11192	42.1
225.09178	11.6
225.12657	16.1
233.09608	27.0
235.11223	15.7
235.14796	11.8
237.09090	12.2
239.10745	12.2
239.14368	13.7
241.12128	20.2
247.11342	12.5
248.12033	16.4
249.09138	14.1
249.12810	12.3
251.10637	26.7
251.14313	24.4
263.14319	40.1
266.12955	11.8
267.13586	20.8
269.11801	11.9
281.15317	53.6
291.13773	29.8
309.14798	78.5
311.12845	19.2
327.15872	100.0
345.17007	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	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01874	1.3
56.65260	1.1
57.03428	1.6
61.02930	1.8
62.17418	1.1
64.93413	1.0
69.03431	16.2
70.95667	2.4
70.96005	1.1
71.05003	1.9
72.02303	1.2
81.03423	2.4
81.07059	1.4
83.04961	1.5
85.02910	15.4
87.04451	1.4
88.68600	1.0
91.03963	1.3
91.05464	6.1
95.04961	4.7
95.08592	2.5
97.02899	5.2
105.07047	3.3
107.08585	2.3
109.02859	1.3
109.06512	22.2
110.19605	1.0
112.63824	1.0
119.08578	10.4
121.10107	7.0
123.04405	4.1
123.08083	9.5
124.04737	1.6
127.03900	2.7
129.06993	3.2
131.08563	23.1
133.06465	3.6
133.10074	1.5
134.18181	1.1
135.08017	2.3
135.11665	1.3
137.09631	3.9
139.03911	4.2
143.08507	2.0
145.04951	3.3
145.10139	3.0
147.08038	20.3
147.11667	2.1
149.09616	2.9
151.07535	100.0
152.07907	2.4
156.09325	4.4
161.09579	2.4
161.13278	1.7
163.11169	10.2
165.12796	1.6
171.11681	8.4
178.47466	1.2
189.12746	44.4
190.13161	2.2
203.14240	1.1
207.13795	88.7
208.14122	4.9
215.08072	1.7
225.14842	3.9
231.13786	4.3
243.07703	1.5
249.14871	1.4
309.08383	1.4
369.19083	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	404.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.8
55.05503	2.1
57.03418	1.1
57.55689	0.5
61.02908	0.8
64.49794	0.6
64.79984	0.5
67.05497	2.3
69.03419	1.8
69.07063	11.6
70.91235	1.4
70.91575	0.8
75.46884	0.6
79.05476	1.6
79.55409	0.5
80.05788	0.6
81.03405	1.1
81.07047	5.1
83.08604	1.0
85.02906	4.4
89.43842	0.5
91.05442	1.8
93.07030	2.5
95.08607	10.3
95.30928	0.6
96.08915	0.6
97.02884	1.3
97.06514	3.4
97.10181	1.3
98.63507	0.6
100.80742	0.5
105.07022	3.1
107.04964	1.1
107.08568	3.3
109.10157	5.6
111.08052	2.4
111.11712	10.2
115.07571	6.6
119.04929	1.0
119.08572	4.3
119.24536	0.6
121.06526	0.7
121.10121	1.9
123.04427	1.0
123.11718	3.7
127.03925	0.7
131.08530	1.2
133.10112	5.3
135.11690	0.8
137.05948	2.4
137.13263	1.7
139.03876	1.7
145.04915	1.0
147.04390	0.9
147.11713	3.3
147.12689	0.6
149.02269	0.6
149.13251	2.8
151.07454	0.6
161.09595	0.7
161.13237	1.5
167.07057	2.4
175.54590	0.6
177.16399	0.7
179.07021	0.8
179.17938	0.9
180.05739	0.6
181.05020	1.1
189.16376	14.0
207.17441	14.6
225.18483	100.0
226.18781	3.7
404.24890	1.5
405.08524	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.5
53.57769	3.3
55.05505	6.2
57.20947	3.0
64.82814	3.6
67.05500	11.4
69.03420	34.3
69.07059	8.1
69.27755	3.5
69.73656	22.3
79.05482	14.5
81.07067	13.8
83.04984	7.6
83.08616	3.9
91.05473	14.8
93.07035	9.2
95.04965	9.6
95.08063	3.4
95.08607	24.0
98.21474	7.4
105.07024	18.6
107.04979	4.3
107.08603	15.6
109.06523	11.1
109.10156	9.5
117.06991	6.9
119.08574	14.7
121.06508	10.0
121.10161	5.2
123.08054	14.6
123.11683	6.8
128.06197	5.1
129.06995	6.9
131.08566	15.1
133.06451	5.0
133.10132	13.8
135.08028	7.3
137.05992	7.9
141.06992	7.0
142.07747	6.9
143.08574	14.9
145.06442	5.6
145.10120	10.0
147.08044	10.6
149.09621	5.6
151.07465	4.4
155.08588	13.7
157.10101	8.8
158.07294	4.9
159.08061	23.3
159.11703	6.9
161.05933	4.6
161.09634	16.2
163.07524	6.4
165.07025	10.4
166.07761	4.0
167.08586	10.8
169.06563	3.9
169.10144	14.6
170.10875	4.2
171.08093	12.6
171.11684	5.8
172.08875	4.8
173.09637	8.2
173.13310	7.3
177.09123	11.5
179.07050	4.2
179.08521	8.0
180.09311	4.4
181.06601	5.3
181.10121	7.6
183.08121	3.9
183.11722	10.0
185.09631	13.3
185.13387	4.8
187.11169	8.0
192.09320	5.0
193.10165	15.8
195.08076	8.7
195.11763	14.8
196.08849	7.7
197.09532	20.6
197.13345	5.4
199.11229	10.3
201.09193	5.7
203.10623	5.0
205.10155	7.6
206.11005	7.0
208.08856	16.4
209.09656	15.0
210.10435	5.5
211.07616	5.6
211.11191	33.6
211.14876	5.9
213.09138	9.0
213.12779	8.9
213.16388	4.7
215.10805	5.1
219.08194	5.3
219.11845	6.9
221.09650	7.3
221.13193	7.6
222.10516	7.2
223.11147	29.8
225.09137	11.0
225.12764	6.5
225.16359	4.1
230.10880	4.5
233.09564	17.5
234.10327	4.9
235.14879	8.4
237.12764	7.8
239.10599	13.1
239.14313	7.1
241.12215	10.5
245.13348	4.0
247.11081	4.9
248.11993	11.2
249.12886	9.8
251.10657	27.2
253.12341	5.3
253.15732	9.0
263.11774	4.0
263.14288	24.2
266.12924	3.8
267.10086	5.4
267.13947	4.7
269.11765	31.1
269.22617	5.3
279.13812	5.7
281.15356	33.6
291.13748	19.9
298.78574	4.3
299.16388	7.0
309.14792	39.2
311.12750	31.4
323.27432	6.0
327.15866	83.2
345.16794	17.5
405.35153	100.0
414.64413	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	404.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
55.05519	1.2
57.03429	1.2
57.07070	2.1
67.05503	4.4
68.04988	1.5
69.03429	5.2
69.07053	1.7
70.06590	8.4
72.08141	1.8
79.05480	4.2
81.03387	1.6
81.07056	18.3
85.02901	84.5
91.05486	15.0
93.07040	3.7
95.04934	2.1
95.08592	4.9
97.02885	4.2
100.58921	1.2
105.07030	9.7
107.04968	2.3
107.08598	5.5
107.44183	1.0
109.06506	3.5
109.10160	9.4
114.05550	1.4
119.04968	8.6
119.08562	10.0
121.06489	1.5
121.10148	9.3
121.10870	1.5
123.04452	8.2
123.08085	1.7
123.11698	100.0
124.12021	2.8
125.05987	8.0
127.03917	1.7
131.08542	2.6
133.06441	1.6
133.10110	1.9
139.03909	2.4
145.04968	1.9
145.10149	6.2
147.04434	8.1
147.07993	3.0
147.11684	15.5
149.09607	6.7
151.03886	1.4
151.07564	3.5
156.09303	1.2
161.05875	1.4
163.03949	3.0
165.05501	4.0
165.12662	1.5
167.07045	2.8
169.08591	1.6
171.11682	2.6
175.03891	11.4
176.04253	1.8
177.05476	5.7
178.18629	1.3
179.07031	2.4
179.14240	1.4
183.06476	1.3
189.05521	3.6
189.12730	23.6
192.04228	3.4
193.04906	1.9
193.08598	5.3
206.08101	3.2
207.06503	29.4
207.13791	78.0
208.07030	1.6
208.14149	2.3
211.09610	1.6
221.08070	2.3
224.03752	3.7
225.07574	13.1
225.14847	22.4
229.08817	1.3
242.04858	2.1
252.08638	12.2
386.16428	5.8
404.17203	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	404.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89895	1.1
56.84002	1.1
57.56863	1.3
69.03432	2.0
69.07079	1.4
69.71635	5.0
69.72045	2.8
70.06584	22.1
75.79626	1.2
79.05484	1.7
81.07063	2.3
85.02904	9.9
86.09692	7.5
91.05468	4.7
93.07064	3.6
95.08595	1.5
98.21493	1.4
101.49536	1.2
105.07022	7.7
107.04998	1.1
107.08556	1.7
109.02843	1.4
109.06518	3.2
109.10120	1.4
117.07015	2.2
119.04879	1.5
119.08562	9.8
121.06488	1.7
121.10165	1.6
123.04418	25.9
123.08088	1.6
123.11717	4.9
124.04804	2.3
125.05990	1.4
130.07764	2.1
131.08578	2.3
132.10210	2.5
133.06497	5.1
135.04407	1.3
135.08063	1.5
138.05496	1.5
138.09109	1.3
139.03940	4.1
142.89632	1.1
143.08560	1.3
145.10109	13.2
147.04416	4.5
147.08057	2.5
147.11662	19.1
149.04834	1.6
149.09650	5.1
151.03954	1.6
156.09366	4.9
159.07999	2.0
161.05969	2.4
161.09700	1.5
165.05513	1.8
166.08607	3.0
171.11719	1.9
177.05453	14.1
189.12729	100.0
190.13055	4.1
207.13806	13.6
221.08084	6.0
225.14850	4.5
234.11249	2.1
252.12370	1.9
255.20941	1.2
273.07474	5.5
285.15201	1.3
285.69662	1.1
329.09854	1.8
386.15915	11.1
387.16324	2.9
404.16782	6.6
405.17227	5.4
412.91620	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	4.1
56.06810	1.9
60.61705	2.0
63.20299	2.1
67.05502	13.6
69.03424	5.5
69.07027	2.6
69.68407	1.9
70.63448	2.4
71.60607	2.7
79.05493	5.2
81.03418	3.8
81.07060	12.0
83.04981	5.2
83.77135	2.1
85.02896	8.2
91.05465	5.7
93.07039	6.3
95.04987	2.3
95.08602	6.1
95.12635	2.3
97.02875	2.9
98.88866	2.1
99.04464	3.7
105.07023	13.8
107.08561	11.6
109.06518	2.9
109.10149	100.0
109.87007	2.1
110.10538	3.4
119.08590	12.5
121.02873	2.6
121.10159	6.5
123.08062	6.9
123.11692	6.7
127.03898	3.0
131.08516	2.1
133.10123	12.0
137.05913	3.0
137.09637	4.1
139.03923	6.8
143.08568	3.1
147.11621	5.7
149.09613	7.2
151.07552	4.6
151.11165	11.3
159.11684	2.6
161.09624	9.9
161.13225	5.9
163.11211	6.2
167.06993	2.5
179.10712	2.8
179.14233	5.8
181.04889	3.4
189.12721	10.4
193.08522	3.4
207.10201	5.2
207.13800	24.6
225.11276	6.2
225.14832	75.3
226.15215	5.3
231.11050	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	404.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
53.23557	1.0
55.01858	1.2
55.05508	2.1
60.83685	0.9
61.02916	1.7
67.05503	1.8
69.03426	7.0
69.29745	10.5
71.04987	10.3
73.02915	1.6
79.05485	4.3
81.03408	2.3
81.07057	24.3
85.02909	14.6
85.06548	2.6
91.05475	9.0
93.07040	19.2
95.04939	2.3
95.08607	5.8
97.02884	12.4
97.06527	2.1
99.04453	31.5
105.07033	27.4
107.04926	2.2
107.08587	12.0
109.02876	2.1
109.06506	5.7
109.10157	1.0
111.08072	16.7
113.05998	2.3
115.05401	1.1
119.04965	1.4
119.08582	4.3
121.06506	2.9
123.08100	1.9
123.11669	1.7
125.05991	2.2
127.03875	2.7
128.06244	1.5
131.08589	1.4
133.06509	3.4
133.10129	53.5
134.10440	1.8
135.11703	3.6
137.05978	8.2
137.09636	7.0
139.03801	1.0
143.08545	7.7
145.04939	3.8
145.10114	4.0
146.07245	2.5
147.08017	2.1
147.11694	3.0
149.09669	1.1
151.07506	2.7
151.11194	5.3
153.05394	1.1
161.09618	64.2
162.09857	1.0
163.11180	12.5
165.09135	2.3
167.07048	2.7
171.07986	2.2
178.59013	0.9
179.10669	29.8
179.12187	1.9
180.08720	3.1
189.09103	24.8
189.12718	3.2
207.10149	21.4
207.13753	14.1
224.16325	1.0
225.11217	100.0
226.11600	2.2
242.13908	3.0
242.17430	1.3
302.89499	1.0
369.19077	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.0
53.93458	1.2
55.01865	2.5
55.05503	8.3
55.68963	1.5
57.03433	1.6
57.07053	1.8
61.02917	2.5
65.03949	1.3
67.05498	9.2
69.03432	10.5
69.07047	6.1
71.04983	7.7
71.61859	2.0
73.02888	1.6
74.51823	1.4
79.05487	7.2
81.03424	3.6
81.07047	29.8
83.04962	6.1
83.08598	3.3
85.02903	17.3
85.06522	4.4
87.04450	1.6
91.05464	14.4
93.07040	26.5
95.04974	3.2
95.08597	18.5
97.02885	11.4
97.06519	4.1
99.04457	27.8
104.59444	1.2
105.07024	38.4
107.04927	6.5
107.08575	21.0
109.02885	3.9
109.06514	10.2
109.10152	39.9
111.01902	1.3
111.08072	16.9
117.07022	1.9
119.04947	2.9
119.08571	21.8
121.06480	5.5
121.10131	9.1
121.10903	1.4
122.05952	1.7
123.04391	3.3
123.08051	12.8
123.11681	5.8
125.06007	6.7
125.09615	2.3
127.03881	3.2
128.06258	2.3
131.08525	3.8
133.06532	6.5
133.10124	64.2
134.10445	2.5
135.08052	4.2
135.11678	42.1
135.12709	2.2
137.05957	7.5
137.09598	14.6
143.08582	7.7
145.04898	2.8
145.10071	5.4
146.07246	1.9
147.04378	1.6
147.07968	3.7
147.11679	3.0
147.44127	1.5
149.09618	11.5
149.13182	2.4
151.07538	6.1
151.11180	10.9
151.14799	6.2
153.09082	3.4
161.09612	61.3
161.13242	6.1
163.11166	20.1
165.09012	2.0
165.12674	2.2
165.16443	1.6
167.06970	2.5
167.10703	2.2
171.08066	2.5
171.11606	1.7
175.14804	18.2
179.10655	26.2
179.14279	3.1
180.08665	3.7
181.05006	3.4
182.05353	2.0
189.09088	25.7
189.12715	6.5
193.15878	24.7
207.10173	25.7
207.13788	35.7
208.13950	1.4
211.16916	100.0
224.16415	3.9
225.11218	90.6
225.14566	15.0
226.11514	2.5
228.10181	1.9
242.13866	2.2
242.17490	8.4
293.68488	1.5
294.28894	1.4
404.14136	3.2
404.22720	1.9
405.14059	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.6
57.90119	1.6
63.85791	1.5
67.05489	1.7
69.03403	6.2
69.64611	9.8
71.04977	4.4
76.90997	1.8
78.24749	1.4
79.05486	4.9
81.07030	3.0
85.02886	5.9
86.09734	1.5
91.05463	8.8
93.07034	15.5
94.89346	1.6
95.04944	2.9
95.08643	1.8
97.02885	3.3
99.04475	7.4
105.07027	50.0
107.04945	2.6
107.08585	14.9
109.06506	2.7
119.04945	2.4
119.08595	10.9
121.10124	2.4
123.04401	5.8
123.08059	5.9
127.03922	2.0
131.08563	3.2
133.06514	2.7
133.10123	45.0
134.10411	1.7
135.11723	3.1
137.05952	5.2
139.03905	2.5
143.08566	3.2
145.10107	8.5
146.07292	1.7
149.09631	2.2
151.07573	6.6
151.11139	3.0
161.09610	36.2
161.13258	3.6
163.11183	100.0
164.11482	2.5
167.07025	3.5
179.10669	61.5
180.11046	1.5
181.04987	2.8
187.76926	1.7
189.09090	17.6
189.12769	3.0
207.10187	22.6
207.13638	9.2
225.11224	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	404.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.8
53.03927	1.2
55.01871	2.1
56.96556	1.8
58.32530	0.8
59.06113	1.1
61.02906	0.8
67.05502	1.9
69.03435	3.6
70.06580	2.9
71.60062	1.4
72.08142	1.2
79.05474	5.8
81.03407	2.3
81.07050	2.2
84.04465	1.0
85.02909	6.7
87.04494	1.0
91.05460	4.6
93.07040	7.6
95.00461	0.8
95.04964	2.1
95.08591	1.0
97.02872	2.9
97.06503	1.2
98.97560	1.8
102.00108	0.8
105.04498	0.8
105.07015	1.6
106.02911	2.4
107.04938	3.2
107.43056	1.0
109.02884	1.3
109.06527	1.1
110.06041	0.9
111.04439	1.4
111.08089	1.0
111.34248	0.8
114.09122	1.6
116.98611	1.2
121.06490	14.8
123.04426	4.0
123.08059	7.3
124.03934	4.1
125.05917	0.9
127.03893	2.6
134.99614	1.1
137.06085	0.8
139.03949	3.8
139.07518	12.8
141.05501	1.7
145.04947	1.6
147.04420	2.4
147.08047	1.3
149.05959	5.6
151.03909	1.5
153.01802	3.9
153.05484	1.1
154.06824	1.1
163.03929	1.9
164.07085	1.8
164.10680	1.4
167.07033	100.0
168.07364	3.0
169.04948	2.7
171.03053	0.9
172.07860	0.9
175.07570	1.3
177.05486	1.7
178.08563	0.7
178.45129	0.7
180.06490	1.8
181.08565	1.4
183.02946	1.1
183.06537	4.4
185.08078	2.3
192.10191	2.2
193.08611	1.8
199.09647	64.1
200.07407	2.3
200.09921	0.8
207.06511	1.0
211.09727	1.0
217.04938	0.9
224.09322	1.9
224.12918	2.3
225.07706	1.0
242.10201	2.6
243.01712	1.2
252.12306	2.6
255.01706	2.1
257.09467	3.0
268.08096	1.2
341.06616	0.9
363.03885	1.0
372.16516	1.4
404.16528	4.8
405.08212	1.5
405.12717	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35667	0.6
56.96560	14.2
66.15995	0.7
67.05484	0.7
69.26947	8.8
71.95245	1.4
79.05495	0.7
81.07034	0.8
91.05417	0.7
94.04177	1.6
98.21502	1.6
98.97573	39.6
116.98616	52.3
122.03636	3.5
134.99651	57.1
137.05968	44.3
140.00154	4.0
153.00717	13.4
158.01270	8.0
174.57765	0.7
176.02322	2.1
176.07072	0.8
179.00052	1.2
181.02901	0.8
197.01186	3.8
199.65752	0.6
211.02792	1.4
215.02180	1.4
220.00398	1.3
224.09627	1.6
226.11134	16.2
235.02753	39.5
236.02998	1.3
238.01361	3.4
241.04144	0.8
242.10721	1.2
244.12198	11.8
253.03827	97.6
254.04150	2.6
267.13770	2.3
268.12198	2.5
271.04800	6.5
276.05426	25.1
277.06036	1.1
280.12082	1.7
309.14722	0.8
329.12836	1.0
344.15225	5.0
362.16251	2.5
385.17914	0.7
404.17419	100.0
405.17871	4.2
416.17093	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64819	0.4
60.04523	1.2
62.06084	100.0
69.03421	1.1
69.34696	2.7
69.35120	1.9
69.70219	0.4
71.04955	0.6
85.02904	1.5
104.07076	0.5
104.36874	0.4
106.05044	0.8
106.78798	0.4
110.06065	0.5
116.14041	0.5
119.01900	0.6
120.06630	0.6
127.03875	0.7
137.08098	0.6
138.05499	7.3
138.06496	0.6
145.05016	0.7
203.05341	1.0
206.10291	1.2
212.67166	0.4
224.05322	0.6
224.11371	0.7
242.06384	1.1
283.10895	0.4
301.47595	0.5
307.08777	0.5
404.11423	2.7
404.15991	1.9
405.06546	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01865	2.2
55.05495	2.3
57.03416	1.7
57.87334	0.8
61.02912	2.1
67.05499	3.3
69.03426	8.0
69.07052	1.1
70.54321	2.9
71.04987	10.1
76.15035	0.9
79.05479	6.7
81.03400	2.2
81.07053	26.8
83.04974	1.1
85.02898	16.6
85.06527	3.0
87.04441	1.1
91.03938	1.1
91.05472	9.8
93.07030	19.6
95.04956	2.1
95.08608	6.8
96.55822	1.0
97.02891	14.6
97.06519	1.9
99.04450	33.5
103.05426	1.1
105.07023	30.6
107.04950	3.1
107.08585	15.0
109.02867	2.2
109.06493	4.9
109.10131	2.0
111.08071	15.6
113.06017	2.2
117.07021	1.2
119.04944	2.5
119.08580	5.0
120.99072	0.9
121.06513	5.0
123.04423	2.6
123.08043	3.0
125.05942	1.5
127.03900	3.2
128.06226	1.8
131.08534	2.3
133.06531	4.5
133.10124	59.4
135.07988	0.9
135.11671	3.5
137.05968	8.4
137.09607	5.2
143.08563	6.4
145.04973	2.5
145.06467	1.2
145.10109	3.5
146.07243	2.9
147.08055	1.9
147.11642	2.2
149.09630	1.5
151.07565	4.4
151.11157	6.7
161.09610	68.4
162.09966	1.9
163.11169	14.3
165.09081	1.8
165.12750	2.5
167.06973	6.3
169.54250	0.9
170.01418	1.0
171.08031	1.9
171.11716	1.2
179.10666	29.2
180.08627	2.6
189.09090	24.1
189.12766	3.0
193.08543	1.4
207.10179	18.5
207.13765	10.5
224.16466	1.4
225.11205	100.0
225.14857	3.1
226.11499	2.5
242.13890	2.5
242.17654	1.5
262.97659	0.9
278.08661	0.8
375.83664	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38060	0.4
54.09292	0.4
55.05501	0.6
57.03430	2.7
57.07075	0.6
65.03935	0.8
67.05504	1.1
69.03413	1.1
69.07063	0.8
70.06569	0.9
70.82886	0.5
70.83225	0.9
73.02884	0.6
75.04478	2.4
79.05516	0.7
83.04986	0.6
85.02895	4.4
85.06567	0.6
88.91853	0.4
91.05473	100.0
92.05820	0.9
93.07036	0.8
95.01337	2.1
95.08599	4.6
97.02924	0.6
97.06516	0.9
99.08103	0.8
105.07008	2.1
107.04961	0.6
107.08575	0.8
109.06510	0.9
109.10055	0.5
113.02361	1.3
113.05976	1.0
119.08584	3.1
119.26778	0.4
121.10168	1.1
123.04429	1.8
123.08050	2.4
125.05995	0.5
127.07563	2.3
131.03444	0.6
131.08527	0.6
132.10779	0.5
132.54739	0.5
135.11720	0.6
137.05966	6.9
137.09644	0.7
137.13303	0.5
141.01828	4.6
147.11670	1.6
149.09669	0.7
159.02924	0.7
161.13280	1.5
163.11188	0.8
165.09081	0.5
167.07050	1.1
177.05571	0.7
179.07094	0.8
179.14337	1.7
181.12222	1.0
189.12753	4.2
193.08595	47.7
194.09006	0.8
207.13791	6.3
211.09642	24.7
223.11003	0.6
225.14748	0.6
258.12967	0.4
309.14749	0.5
315.91119	0.4
327.16022	0.6
351.11084	0.5
369.11810	2.2
386.16479	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38060	0.4
54.09292	0.4
55.05501	0.6
57.03430	2.7
57.07075	0.6
65.03935	0.8
67.05504	1.1
69.03413	1.1
69.07063	0.8
70.06569	0.9
70.82886	0.5
70.83225	0.9
73.02884	0.6
75.04478	2.4
79.05516	0.7
83.04986	0.6
85.02895	4.4
85.06567	0.6
88.91853	0.4
91.05473	100.0
92.05820	0.9
93.07036	0.8
95.01337	2.1
95.08599	4.6
97.02924	0.6
97.06516	0.9
99.08103	0.8
105.07008	2.1
107.04961	0.6
107.08575	0.8
109.06510	0.9
109.10055	0.5
113.02361	1.3
113.05976	1.0
119.08584	3.1
119.26778	0.4
121.10168	1.1
123.04429	1.8
123.08050	2.4
125.05995	0.5
127.07563	2.3
131.03444	0.6
131.08527	0.6
132.10779	0.5
132.54739	0.5
135.11720	0.6
137.05966	6.9
137.09644	0.7
137.13303	0.5
141.01828	4.6
147.11670	1.6
149.09669	0.7
159.02924	0.7
161.13280	1.5
163.11188	0.8
165.09081	0.5
167.07050	1.1
177.05571	0.7
179.07094	0.8
179.14337	1.7
181.12222	1.0
189.12753	4.2
193.08595	47.7
194.09006	0.8
207.13791	6.3
211.09642	24.7
223.11003	0.6
225.14748	0.6
258.12967	0.4
309.14749	0.5
315.91119	0.4
327.16022	0.6
351.11084	0.5
369.11810	2.2
386.16479	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39238	0.8
51.56727	0.8
54.03478	1.2
58.98724	0.8
67.05517	1.5
68.99788	1.9
69.07061	2.2
70.06590	100.0
71.59736	1.7
79.05499	0.9
81.07029	1.1
85.02891	1.7
86.09704	18.5
91.05475	2.3
93.07072	2.0
95.04974	1.3
95.08621	2.9
105.03420	1.1
105.07047	1.7
107.04955	2.4
111.00815	1.6
114.09135	1.9
119.04957	2.5
119.08601	1.6
121.06483	2.2
121.10094	1.3
123.04424	80.1
123.08096	1.1
124.04790	2.3
125.06011	2.3
131.08553	1.4
132.10190	6.4
133.06512	1.1
135.04396	4.4
137.06003	1.4
139.03911	7.2
141.05495	2.3
147.04395	14.3
147.08015	1.1
147.11646	2.0
149.05954	4.9
149.09659	1.2
151.03911	6.1
156.09438	1.0
163.03941	1.5
163.07549	1.3
165.05495	5.7
167.07039	1.7
169.04956	1.3
175.07558	2.2
177.05470	55.3
178.05789	1.3
179.07027	3.4
189.05460	3.0
189.12839	1.3
193.08641	2.5
195.51720	1.1
203.07024	1.6
207.06546	1.9
207.13766	4.9
221.08093	25.1
234.11189	7.5
252.12454	2.5
263.09180	1.1
273.07578	22.9
329.10242	7.4
355.11694	1.9
373.12717	1.8
386.15994	50.2
387.16278	2.8
397.35364	1.0
404.17014	18.1
405.17334	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	403.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
55.01852	1.6
57.03426	1.3
65.03927	0.9
66.04710	0.9
67.05493	1.3
69.03420	0.8
69.07072	0.6
69.30924	4.1
69.31347	1.8
71.15086	0.5
79.05493	5.8
81.07052	1.3
87.36397	0.6
91.05473	6.4
92.85471	0.5
93.07024	4.7
95.04953	2.0
95.08586	0.9
98.21461	0.9
102.78822	0.6
102.89978	0.6
103.05463	8.9
105.07021	16.3
107.04958	3.0
107.08565	1.3
108.05729	0.8
109.02866	1.8
109.06506	1.4
109.10159	0.8
115.05437	1.3
117.06982	1.2
118.04148	15.6
119.04932	3.1
120.05720	2.8
121.06499	8.0
122.07297	1.2
123.04428	1.0
123.08064	0.6
124.05189	8.3
129.01813	1.4
129.57050	0.6
131.04926	1.8
132.05666	0.8
133.06487	22.9
133.10152	0.7
134.07321	1.5
135.04414	2.7
135.08075	4.6
137.05965	2.4
139.03871	1.5
147.04346	0.8
147.08020	0.8
148.05070	0.7
149.05963	3.4
150.06747	8.3
151.07507	2.7
153.05365	0.6
154.06242	6.7
161.06024	3.8
163.07515	2.6
165.09116	13.0
166.06241	2.3
167.07007	3.3
177.05501	4.8
178.06305	1.1
179.06998	4.1
181.04956	10.3
181.08575	19.4
193.08591	100.0
194.09048	4.2
209.08070	16.8
210.08846	10.1
218.52570	0.6
221.11684	3.9
240.24310	0.5
293.95874	0.5
310.69891	0.6
317.86050	0.6
329.21085	0.7
403.24603	1.3
403.29187	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
54.28355	1.2
55.01864	3.5
55.05512	1.5
56.96575	1.2
57.03433	1.6
59.04988	1.4
61.02926	2.1
67.05492	3.5
69.03429	8.9
69.07073	2.4
70.06585	4.0
71.59401	1.6
71.59799	1.8
72.08131	2.3
79.05492	4.4
81.03391	2.1
81.07063	2.8
81.84650	1.3
83.04973	6.1
84.04482	2.1
85.02898	10.3
85.06546	2.7
86.06074	3.0
86.09711	3.5
87.04456	2.1
91.05474	15.7
93.07037	53.7
95.04965	10.3
95.08608	3.9
97.02877	5.1
97.06519	2.5
99.04461	2.9
103.05467	2.6
105.07020	4.7
107.08598	4.8
109.02872	1.6
109.06503	3.2
109.10146	2.8
109.32054	1.3
111.04425	1.5
111.08113	2.6
112.07582	1.6
113.05965	2.0
117.07014	1.4
119.04923	3.0
119.08593	2.0
121.06497	100.0
121.10140	3.0
122.06848	3.5
123.04436	12.4
124.03960	2.4
124.04765	1.5
125.06051	1.3
127.03901	3.6
127.07557	11.4
129.01862	2.8
131.08594	2.7
133.06464	1.4
133.10136	2.7
135.04408	1.5
135.08069	1.7
135.11661	1.3
137.05984	1.6
139.03923	3.7
139.07524	4.3
147.04382	5.0
147.08031	3.3
147.11665	1.4
149.05998	2.7
149.09642	6.8
151.03944	1.3
151.07570	1.8
153.01836	5.5
153.09105	1.5
155.10643	2.9
159.11702	10.8
161.05951	1.6
163.03909	2.0
163.07504	1.4
163.11145	2.0
165.01918	2.1
165.05499	1.7
167.07060	2.9
175.03928	2.4
175.11147	3.6
177.05516	3.6
177.12755	4.2
178.05844	1.9
179.30219	1.3
183.02821	1.8
183.06505	5.2
185.08162	1.9
187.11122	6.1
191.03442	1.8
193.12169	1.8
205.12224	70.3
206.12584	2.1
207.06519	3.7
211.13396	2.4
220.06808	1.5
223.05846	1.4
223.13251	28.8
225.07614	1.6
229.11958	1.4
241.14401	3.6
242.10237	1.5
242.13759	1.6
250.10815	2.1
251.11108	3.4
268.08112	1.6
373.40015	1.3
385.13275	2.9
403.15430	16.5
403.24103	2.1
404.17496	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.05491	2.8
57.07071	2.4
61.02911	1.8
61.24745	1.7
67.05495	7.1
68.99815	2.3
69.03430	11.4
69.07057	4.0
70.06578	6.6
70.93724	2.9
70.94038	2.0
72.08158	2.8
79.05482	4.3
81.03405	5.9
81.07044	4.3
83.04965	8.7
85.02909	8.0
85.06529	2.4
86.06053	3.0
86.09701	3.4
86.88220	1.7
91.04950	2.6
91.05463	17.7
93.07037	61.8
95.01251	1.8
95.04961	10.5
95.08604	2.6
97.02883	4.3
97.06537	4.0
98.97600	2.3
99.04458	3.5
103.05459	3.8
105.07030	3.9
107.04993	4.0
107.08610	4.9
109.06520	2.9
109.10155	3.2
111.08086	4.6
113.06009	3.0
119.04974	3.0
119.08586	4.8
121.06495	100.0
123.04413	13.0
124.03942	2.8
124.04781	2.5
127.03927	2.4
127.07536	10.7
129.01834	4.6
131.08585	2.8
133.10149	2.5
135.08046	3.0
135.11690	2.3
139.03976	2.4
139.07561	3.1
140.14372	1.9
144.09418	2.1
145.06496	1.9
145.10139	2.9
147.04369	4.8
147.08060	1.9
149.08455	1.9
149.09607	7.5
150.10065	1.9
151.03897	1.8
153.01834	8.0
153.09035	2.7
155.10698	2.2
157.10109	2.5
159.11700	12.2
163.03914	2.9
163.11180	4.1
165.01859	3.4
165.05489	2.4
167.07083	5.1
175.03920	4.9
177.05524	5.3
177.12788	3.2
178.05780	3.5
183.02917	4.7
183.06502	4.8
187.11140	5.3
191.03404	2.8
205.12225	60.8
206.12521	2.2
207.06526	3.2
211.13277	2.0
223.13306	27.0
225.07584	2.7
241.10477	3.4
241.14388	4.6
251.05455	2.3
251.11044	2.5
293.55157	2.2
306.86108	2.0
403.15396	14.6
403.20151	3.0
404.16470	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.2
55.01870	6.1
55.05500	14.9
55.91790	5.6
56.96574	9.4
57.03436	8.8
61.02911	4.9
67.05511	45.0
69.03411	8.6
69.07056	20.8
71.60220	5.0
72.81393	4.5
79.05500	36.6
81.03427	6.5
81.07056	100.0
81.29200	4.8
83.04991	9.0
83.08611	18.4
85.02898	5.5
88.07635	6.0
91.05490	25.0
93.07046	33.2
95.04976	15.0
95.08601	28.3
97.02914	5.3
103.05473	4.8
105.07023	30.5
106.26807	5.1
107.04954	12.9
107.08578	21.0
109.06537	26.7
109.10155	14.0
111.08096	5.1
114.29655	4.4
117.07005	10.5
119.08573	31.0
121.06466	8.7
121.10162	13.2
123.04469	4.7
123.08044	9.0
123.11684	8.1
125.09566	4.7
129.01768	5.3
131.08586	12.8
133.10124	22.6
135.08075	4.9
135.11667	8.6
138.90129	4.7
145.10152	9.6
145.16782	4.7
147.11670	13.4
149.09622	6.7
157.01270	4.5
159.11655	6.3
161.13216	5.6
167.07037	6.9
173.08046	11.6
173.13303	5.9
175.11230	8.5
229.07552	8.9
234.21902	5.5
239.18051	5.6
247.08635	7.7
256.26346	9.7
269.10715	7.8
275.20059	48.6
293.21011	11.2
296.10098	14.7
316.11728	14.7
316.61548	8.2
349.23672	72.5
367.24796	94.0
402.16971	10.4
402.32019	32.0
403.24438	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	403.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	1.5
58.35034	0.7
61.63568	0.6
69.03423	1.7
69.85201	1.4
69.85606	2.7
70.06584	1.8
70.44975	0.6
76.02219	1.1
76.80769	0.7
81.03414	1.3
81.07035	0.8
81.81638	0.7
84.04488	1.2
84.08122	1.0
85.02879	2.7
85.07655	2.9
91.05480	0.9
95.04967	1.2
97.02900	1.3
97.06523	1.6
99.04420	0.8
109.02906	0.8
112.07573	1.2
119.04965	0.7
119.22691	0.6
123.04469	1.4
123.05521	1.7
129.01839	1.6
133.06432	0.8
135.04391	0.8
147.08107	0.9
148.83646	0.8
153.01810	3.2
161.01297	0.8
165.01831	0.9
167.07016	1.7
179.04861	0.9
181.04965	1.6
182.05341	0.7
183.02837	1.1
185.08096	1.0
207.06631	1.1
209.07544	0.8
237.02817	0.8
242.10037	2.7
281.68655	0.7
382.78030	0.7
403.17230	100.0
404.17624	4.8
413.88409	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
54.03462	0.4
55.01865	0.7
55.05503	0.7
58.06593	0.8
59.05002	0.8
60.04515	2.1
61.02913	0.7
65.66548	0.5
66.35016	0.4
67.05476	0.8
68.99792	1.0
69.03419	1.5
70.06588	100.0
70.33240	0.4
70.52397	0.5
71.02701	0.4
71.06908	0.7
71.58176	0.9
72.08183	0.5
73.02925	0.6
79.05498	1.2
81.03416	1.5
81.07046	1.4
82.06586	1.2
83.04978	0.7
84.04514	1.2
84.08139	1.1
85.02913	2.6
86.06071	1.9
89.06026	0.9
91.05472	2.4
93.07050	2.1
94.06618	0.6
95.04981	1.7
95.08634	0.9
96.08146	0.6
97.02909	1.3
100.03964	0.8
103.05477	1.3
105.07011	2.7
107.04946	3.3
107.08573	1.3
109.06487	1.2
110.05998	0.8
110.09619	0.6
112.07614	1.1
115.05464	0.8
117.06986	0.8
119.04920	1.7
119.08603	1.2
120.08106	0.7
121.02877	0.6
121.06474	1.7
121.10151	3.3
123.04440	4.8
123.08063	2.6
124.07616	0.6
127.03922	0.9
130.06511	0.5
130.07831	0.5
131.04947	0.9
131.06906	0.7
131.08505	0.6
133.06493	2.1
135.04396	4.2
135.11679	0.6
137.06067	0.6
138.09161	1.5
139.03894	14.0
141.05426	0.5
145.04941	0.9
145.10136	2.1
147.04414	3.6
147.11696	0.9
148.07576	1.2
149.05954	5.6
149.09657	0.7
150.09174	0.5
151.03896	2.1
155.11914	0.5
159.04391	0.8
161.06020	3.1
163.03903	7.7
163.07591	0.7
163.11209	0.8
165.01852	3.0
165.05498	2.2
166.08604	0.8
167.06956	0.8
167.10716	1.5
171.11703	0.5
172.11201	2.8
173.05911	0.5
175.03938	1.0
175.07500	0.8
176.07112	0.9
177.05461	55.9
178.05870	0.8
181.04951	4.2
181.12239	0.8
183.02940	3.1
186.12793	1.4
187.13550	0.9
189.05466	1.3
191.03413	2.0
191.07043	0.8
193.05008	0.5
193.08588	2.0
194.11804	1.5
197.07970	0.4
201.05388	1.1
204.13828	3.9
205.04927	0.7
207.06601	0.9
208.13309	1.2
219.06459	2.4
222.07584	1.4
222.11368	3.3
222.14845	10.8
222.16829	0.8
223.07863	0.8
223.09833	0.6
223.15436	1.5
232.09663	1.4
233.04468	1.9
234.11182	3.2
240.08701	1.6
240.12302	4.6
240.15921	6.6
246.56197	0.6
250.10715	5.8
251.05463	0.9
327.08566	1.0
329.10205	0.8
343.08054	0.9
345.09708	8.9
371.11435	0.9
384.14575	1.4
385.09027	0.6
402.15436	68.9
403.10434	1.0
403.15567	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	401.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	11.7
55.05503	15.2
57.03419	8.6
67.05502	26.4
69.03425	18.7
69.07063	22.4
70.06601	5.9
70.62967	4.4
71.04980	21.4
71.60572	8.2
79.05495	24.4
81.03410	14.6
81.07060	60.2
83.04980	13.2
85.02908	56.5
85.06538	11.3
91.05471	29.5
93.07030	45.9
95.04977	20.0
95.08604	52.8
97.02892	15.3
97.06552	7.6
97.10175	5.6
99.08049	5.8
105.07040	57.2
107.04957	30.8
107.08602	39.1
109.02909	8.2
109.06478	14.8
109.10162	36.3
111.04478	7.2
115.05446	6.6
117.07009	10.2
119.08580	79.9
121.06502	12.5
121.10137	36.2
123.04413	15.7
123.08127	7.3
123.11713	20.6
124.05180	10.1
125.05963	7.6
125.09634	9.3
127.03989	9.4
127.11163	14.1
128.06216	7.6
129.07005	9.9
131.04919	6.3
131.08566	23.8
133.10139	16.8
135.11684	27.1
137.06053	7.9
137.09613	11.3
140.05341	5.8
141.06992	8.8
143.08549	10.7
144.05728	13.2
145.06493	6.5
145.10123	20.7
147.11717	40.3
149.05959	10.1
149.13297	7.3
151.03926	8.2
151.11183	7.6
152.04704	6.0
153.01840	12.7
155.08528	7.3
155.10715	6.1
156.05731	7.8
157.06503	5.6
157.10106	44.6
159.08067	23.5
159.11664	45.7
161.06012	12.5
161.09683	6.1
161.13289	13.1
163.03871	7.5
165.05559	9.8
165.06924	4.8
165.09073	6.2
167.07048	100.0
169.10138	12.6
171.11722	14.1
173.05937	8.1
173.09616	6.2
173.13286	10.6
177.05392	8.0
181.04958	22.4
181.08652	7.1
181.10170	7.2
185.06145	7.7
185.13284	9.6
187.07448	12.4
187.11188	6.4
187.14836	8.9
189.05624	6.0
190.07719	7.7
192.09033	6.6
193.08540	6.2
195.11732	7.5
196.68846	6.1
199.14821	5.5
201.09044	7.5
201.12718	11.5
203.17972	29.4
205.08601	19.7
207.06462	8.5
207.11777	11.1
208.05174	14.2
213.12718	7.3
217.08601	27.7
219.08102	11.5
219.10120	11.5
219.17337	6.3
220.08784	6.5
221.07919	8.9
221.11856	13.8
221.15381	11.5
221.19000	30.2
229.08607	12.5
231.08018	7.7
231.17418	7.4
233.09662	8.4
233.19023	14.5
235.07610	8.3
236.04588	7.8
236.08272	9.7
239.13051	7.2
239.20139	10.4
245.09653	7.3
245.19031	10.1
247.07497	19.4
247.09766	10.5
248.08272	21.0
249.05324	7.2
254.05785	5.7
263.10620	11.1
264.07782	10.0
265.08704	5.9
269.08105	21.2
270.73767	5.2
271.09589	5.8
271.15671	6.7
275.07062	6.1
276.07813	12.0
279.06442	5.9
279.10022	9.6
281.08173	7.3
282.08789	12.6
291.10135	12.5
293.07938	6.7
299.08987	7.5
307.09500	9.7
308.10345	7.0
315.08582	57.3
319.09619	13.9
323.09317	6.2
323.12909	17.2
329.21182	8.1
330.10944	72.0
331.11652	18.4
337.10846	7.9
339.12393	10.8
343.11627	15.6
347.22247	7.1
351.12317	26.1
353.10202	7.9
365.23160	8.9
368.12674	11.5
369.13266	15.0
376.17859	5.7
383.14911	92.7
383.24451	11.3
384.15405	7.9
401.16037	67.9
401.20953	23.5
402.16113	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	402.1546
Annotation	papaveroxine intermediate
Peak:m/z	Relative Intensity
53.03941	0.7
54.03462	0.4
55.01865	0.7
55.05503	0.7
58.06593	0.8
59.05002	0.8
60.04515	2.1
61.02913	0.7
65.66548	0.5
66.35016	0.4
67.05476	0.8
68.99792	1.0
69.03419	1.5
70.06588	100.0
70.33240	0.4
70.52397	0.5
71.02701	0.4
71.06908	0.7
71.58176	0.9
72.08183	0.5
73.02925	0.6
79.05498	1.2
81.03416	1.5
81.07046	1.4
82.06586	1.2
83.04978	0.7
84.04514	1.2
84.08139	1.1
85.02913	2.6
86.06071	1.9
89.06026	0.9
91.05472	2.4
93.07050	2.1
94.06618	0.6
95.04981	1.7
95.08634	0.9
96.08146	0.6
97.02909	1.3
100.03964	0.8
103.05477	1.3
105.07011	2.7
107.04946	3.3
107.08573	1.3
109.06487	1.2
110.05998	0.8
110.09619	0.6
112.07614	1.1
115.05464	0.8
117.06986	0.8
119.04920	1.7
119.08603	1.2
120.08106	0.7
121.02877	0.6
121.06474	1.7
121.10151	3.3
123.04440	4.8
123.08063	2.6
124.07616	0.6
127.03922	0.9
130.06511	0.5
130.07831	0.5
131.04947	0.9
131.06906	0.7
131.08505	0.6
133.06493	2.1
135.04396	4.2
135.11679	0.6
137.06067	0.6
138.09161	1.5
139.03894	14.0
141.05426	0.5
145.04941	0.9
145.10136	2.1
147.04414	3.6
147.11696	0.9
148.07576	1.2
149.05954	5.6
149.09657	0.7
150.09174	0.5
151.03896	2.1
155.11914	0.5
159.04391	0.8
161.06020	3.1
163.03903	7.7
163.07591	0.7
163.11209	0.8
165.01852	3.0
165.05498	2.2
166.08604	0.8
167.06956	0.8
167.10716	1.5
171.11703	0.5
172.11201	2.8
173.05911	0.5
175.03938	1.0
175.07500	0.8
176.07112	0.9
177.05461	55.9
178.05870	0.8
181.04951	4.2
181.12239	0.8
183.02940	3.1
186.12793	1.4
187.13550	0.9
189.05466	1.3
191.03413	2.0
191.07043	0.8
193.05008	0.5
193.08588	2.0
194.11804	1.5
197.07970	0.4
201.05388	1.1
204.13828	3.9
205.04927	0.7
207.06601	0.9
208.13309	1.2
219.06459	2.4
222.07584	1.4
222.11368	3.3
222.14845	10.8
222.16829	0.8
223.07863	0.8
223.09833	0.6
223.15436	1.5
232.09663	1.4
233.04468	1.9
234.11182	3.2
240.08701	1.6
240.12302	4.6
240.15921	6.6
246.56197	0.6
250.10715	5.8
251.05463	0.9
327.08566	1.0
329.10205	0.8
343.08054	0.9
345.09708	8.9
371.11435	0.9
384.14575	1.4
385.09027	0.6
402.15436	68.9
403.10434	1.0
403.15567	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	401.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01861	1.3
55.05499	4.3
57.03417	0.9
57.07067	1.0
59.04991	0.7
64.20981	0.7
67.05494	2.2
67.45010	0.7
69.03423	12.9
69.07060	3.5
70.06579	1.1
71.04979	1.9
71.60482	0.8
79.05471	4.9
81.03405	1.0
81.07052	10.0
83.04971	20.2
83.08617	3.1
85.02902	5.3
85.06531	1.1
86.09751	0.8
91.05478	3.4
93.07059	3.7
95.04969	2.7
95.08606	3.9
97.02869	1.4
97.06525	1.0
99.04471	0.8
99.08120	1.0
105.07035	3.8
107.04961	3.4
107.08580	4.7
109.06506	6.3
109.10140	7.4
110.07274	0.9
111.08077	4.8
117.07024	1.1
119.04919	1.2
119.08577	11.7
121.06493	1.2
121.10137	8.0
122.07279	1.4
123.04416	1.6
123.08064	5.6
123.11716	1.3
125.09599	1.5
127.03896	1.5
131.08508	1.4
133.10123	5.1
135.08046	1.6
135.11668	3.0
137.05959	9.2
137.09601	16.6
139.11107	4.3
145.04984	1.2
145.10062	1.4
147.04408	3.2
147.08000	4.3
147.11626	1.6
149.09634	0.9
151.07529	3.1
151.11159	1.4
159.11665	1.1
161.09644	2.0
161.13326	3.8
163.11176	5.0
165.09143	1.6
167.06978	5.9
175.11230	0.8
175.14822	4.5
177.12750	1.3
193.15871	3.5
203.14326	3.4
205.08595	1.3
211.07559	1.0
217.08585	1.0
221.15349	100.0
222.15630	2.9
231.96190	0.7
239.12843	0.8
239.16408	2.8
247.09630	0.8
263.10815	0.9
269.08035	1.0
282.09024	0.9
304.11700	1.0
315.08563	2.9
321.11319	0.9
330.10913	3.3
339.12265	0.9
351.12265	1.3
383.14758	4.5
401.16000	7.0
401.21466	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	4.7
57.03436	1.0
57.07052	1.1
60.44955	1.0
61.03580	1.0
66.90049	1.0
67.05517	2.7
69.03424	10.9
69.07075	2.2
70.06589	1.3
70.54493	4.2
79.05473	4.1
80.39164	1.2
81.03407	1.4
81.07056	9.1
83.04971	16.4
83.08601	1.7
85.02905	5.6
85.06515	1.2
91.05457	3.1
93.07011	4.3
95.04952	1.9
95.08601	4.3
97.02878	2.3
97.06490	1.3
98.90585	1.1
99.04368	1.2
101.35304	1.1
105.07030	3.0
107.04922	4.4
107.08569	4.7
109.06522	6.2
109.10147	8.0
111.08060	4.8
117.06938	1.2
119.08582	8.9
121.10120	6.4
122.07266	1.3
123.04397	1.7
123.08038	4.5
125.09682	1.2
127.03901	1.2
133.06488	1.4
133.10094	5.4
135.11699	1.4
137.05959	9.4
137.09612	16.5
138.10368	2.0
139.11165	4.5
145.04951	1.7
145.10074	2.6
147.04387	4.8
147.08058	3.4
147.11690	1.2
151.07561	3.0
153.01920	1.2
159.08057	1.3
159.11658	1.9
161.09549	2.0
161.13206	3.0
163.11214	5.5
165.09116	1.2
167.06975	6.3
168.07841	1.0
174.06702	1.0
175.14801	2.7
179.14352	1.2
193.15889	2.9
203.14272	2.5
203.64087	1.1
205.08505	1.2
206.21689	1.2
208.05124	1.2
217.08594	1.5
221.15350	100.0
222.15617	2.8
239.16403	2.3
248.08209	1.4
315.08542	4.9
323.12915	1.7
330.10983	4.5
383.14877	4.2
401.15866	9.0
401.21515	4.1
411.59515	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
56.05030	0.9
56.96557	0.7
61.02911	0.6
64.60789	0.4
65.03930	0.8
69.03420	2.0
70.06596	0.8
71.59171	0.5
71.59556	0.5
81.03412	1.2
81.76309	0.4
84.04504	22.4
85.02903	5.1
85.07654	0.6
87.04479	0.5
92.05011	2.9
96.49185	0.4
97.02908	2.8
98.06068	0.7
101.07138	0.9
102.05571	0.6
109.02889	1.5
110.06041	100.0
110.64037	0.5
111.04456	0.7
111.06380	1.9
119.04995	0.5
120.42853	0.4
126.05497	0.8
127.03886	0.9
130.04996	12.7
135.04488	0.5
137.05923	0.6
139.03911	0.7
145.04994	0.7
147.04398	0.5
153.01855	3.0
158.06015	1.3
167.06927	0.6
175.08702	0.6
176.07071	4.0
181.05083	0.7
208.06161	0.5
211.24619	0.4
213.00754	0.5
219.01830	0.6
221.09215	1.2
222.07628	3.8
227.71861	0.4
237.02779	0.7
239.10278	29.8
240.10730	0.8
253.04649	1.1
256.08173	0.7
320.07343	0.4
358.95062	0.5
401.09702	0.5
401.14752	0.9
401.35522	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1593
Annotation	Gomisin R
Peak:m/z	Relative Intensity
55.01865	2.7
55.88660	1.6
69.03411	3.2
69.75620	9.7
79.05484	11.1
81.07031	3.3
85.02894	3.7
91.05459	6.6
95.04970	3.0
98.21568	2.8
101.00616	4.8
105.07024	2.2
107.04288	2.3
107.04952	27.6
109.02837	2.4
109.10197	1.5
115.05392	4.2
116.06203	3.1
117.07031	1.6
119.08562	2.1
121.06477	2.2
123.04423	2.4
124.05158	4.7
124.45526	1.8
125.06003	3.2
129.07008	5.7
131.08569	8.4
139.11179	4.9
141.06989	4.5
144.05678	7.1
145.06477	6.6
152.04596	2.0
156.05687	10.9
157.06454	3.5
158.07146	2.0
158.27205	2.1
159.08038	12.9
161.05949	2.3
163.03897	3.3
165.06870	2.1
167.07045	81.2
168.07359	1.9
169.06390	2.1
173.05960	4.3
175.07474	2.3
179.07048	3.0
181.04930	1.9
181.08556	3.6
184.05125	3.7
186.06743	4.3
187.07542	7.8
191.08633	3.0
192.09274	1.9
195.06520	3.4
196.05093	1.9
202.06180	4.3
202.07845	1.9
203.08542	2.1
205.06837	2.5
205.08572	13.0
207.06512	6.0
207.10182	2.7
207.12123	1.6
208.05202	16.9
209.07924	1.8
210.06673	2.8
211.07652	2.1
217.08575	29.4
219.08034	11.2
219.10095	4.0
220.08839	4.1
221.05963	6.2
221.09540	2.3
223.55334	1.8
229.08594	5.0
230.07159	2.3
231.08017	7.1
231.10040	2.2
232.08775	3.1
233.09514	4.4
235.07507	4.1
236.04701	8.3
236.08374	4.6
236.49931	1.8
237.08914	1.9
239.10959	6.0
240.04169	2.9
241.08583	2.1
245.09537	2.9
246.06781	2.5
247.07478	10.3
247.09676	17.1
248.08156	13.9
249.09122	4.3
250.06285	3.0
251.10738	2.8
254.05827	10.7
255.06609	3.0
259.07474	3.1
261.09122	4.9
262.09927	2.9
263.06943	3.0
263.10675	8.8
264.07813	5.3
265.08597	5.4
266.05737	3.0
267.06564	7.0
268.03610	4.1
269.08102	26.6
271.09641	6.2
272.06882	2.3
275.07034	6.4
276.07788	6.8
277.08572	5.5
279.06903	2.3
279.10162	7.6
281.08060	3.7
282.05475	3.7
282.08844	14.4
287.09076	3.0
290.09448	4.7
291.10083	11.0
292.07336	5.7
293.08026	8.5
294.08749	2.0
295.05936	2.1
295.09583	2.0
299.09201	3.4
300.06174	3.6
301.07013	3.4
305.07944	3.4
307.06506	2.1
307.09650	8.0
308.10278	7.4
309.07614	2.0
309.11093	3.7
310.08298	7.1
315.08603	82.4
316.09143	2.0
319.09567	8.3
320.10358	2.9
321.07550	4.1
321.11029	3.2
323.09271	2.5
323.12726	15.4
324.09735	2.3
325.10529	3.0
328.09421	4.5
330.10965	100.0
331.11563	13.1
335.09189	2.6
336.09991	3.7
337.10696	7.5
339.12335	8.7
343.11688	21.6
350.11420	2.1
351.12277	27.7
352.12912	6.3
353.10144	6.3
356.12433	3.2
368.12482	8.4
369.13177	5.0
371.14731	5.9
383.14890	70.1
389.80933	2.0
401.15912	45.7
401.21429	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	401.123
Annotation	Sophoronol B
Peak:m/z	Relative Intensity
53.03936	1.1
55.05511	3.9
57.03429	0.9
57.07080	1.5
57.98671	0.7
58.99155	0.7
65.03936	1.9
67.05499	4.7
69.03416	1.3
69.07065	5.6
71.59711	0.9
74.33568	0.7
78.04714	0.9
79.05493	3.8
81.07054	7.5
83.08614	2.7
90.04700	0.7
91.05487	6.0
93.05025	0.8
93.07040	3.5
95.04979	2.4
95.08600	7.6
97.10160	0.8
102.04684	4.9
103.05464	10.3
105.03379	1.2
105.07040	3.4
107.04971	6.6
107.08605	2.6
109.06569	1.2
109.10159	5.8
111.08115	0.8
115.05463	4.3
116.06256	1.0
117.03378	1.5
117.07014	3.2
118.04182	2.7
119.04929	4.6
119.08597	3.7
121.02880	2.2
121.06516	3.0
121.10139	2.4
123.04444	1.9
123.08086	0.8
123.11702	2.4
124.05224	0.8
129.03297	0.9
129.06946	0.8
130.04141	14.5
131.04929	20.2
131.08533	2.0
132.05717	16.4
133.02878	2.1
133.06467	2.9
133.10165	2.9
134.03636	1.8
135.04417	1.4
135.08032	2.1
135.11703	2.2
136.67967	0.9
137.05994	2.6
137.13242	1.8
139.03844	0.9
141.06989	0.9
144.05685	2.7
145.06496	3.5
145.10185	1.3
147.04402	22.0
147.08098	0.8
148.05171	6.9
149.02332	9.1
149.05978	3.6
149.13217	0.9
151.03940	1.2
151.07555	3.9
153.01825	2.1
154.06250	3.1
156.05707	1.1
159.08083	2.1
159.11696	1.2
160.05188	23.0
161.05991	9.8
162.03142	1.0
162.06793	4.3
163.03851	1.5
163.07532	16.2
164.08310	2.1
165.05469	3.3
165.09068	0.9
166.06235	1.0
167.07048	11.7
169.08601	1.5
170.35112	0.7
172.05188	2.3
173.05972	3.5
173.09689	0.8
175.03915	17.9
175.07535	13.4
176.04752	3.9
176.08372	4.1
177.01848	5.7
177.05431	10.6
178.02605	2.2
178.06248	1.7
179.03423	2.3
179.07054	6.2
180.07796	5.4
181.04933	2.2
181.08600	10.5
185.13138	0.8
187.07620	1.7
189.01836	5.4
189.05508	1.3
190.06247	86.2
191.03526	1.6
191.07022	70.7
192.07799	32.2
193.04944	2.1
193.08414	1.3
194.09424	4.9
195.06503	0.8
195.10175	1.9
203.03239	1.1
205.08597	100.0
206.09367	71.8
207.06541	2.3
207.10046	5.0
207.13887	1.2
208.05193	2.6
208.07053	0.9
209.08150	1.2
217.08560	4.1
217.15833	0.9
219.02895	4.1
219.08080	1.2
219.10272	1.6
220.08887	0.9
221.07951	1.2
223.09602	3.4
224.10440	3.5
225.32822	0.9
228.10716	0.8
229.08609	1.5
231.08044	1.7
233.04404	2.8
247.07507	1.9
247.09746	1.7
248.08211	2.0
249.05469	1.2
249.09100	0.9
254.05597	1.0
262.06076	0.8
262.09869	1.0
263.10754	1.0
264.07715	0.9
265.08902	1.3
267.06491	1.1
269.08041	3.0
276.07785	1.2
277.08591	1.2
279.10114	1.4
282.08801	1.9
291.10043	2.5
293.07916	1.7
295.05676	0.8
303.04776	1.1
307.09509	1.2
308.10464	0.9
315.08612	8.9
319.09409	1.0
323.12781	2.2
330.10934	9.7
331.11697	2.4
336.09805	1.0
337.07056	0.9
337.10779	1.5
339.12213	1.9
343.11563	1.3
349.33145	0.8
351.12231	4.0
352.09222	2.1
353.06348	1.0
353.10281	1.4
355.11642	0.9
360.07565	0.8
368.08777	3.3
369.13281	1.9
371.11172	7.2
371.15161	1.3
383.11139	94.1
383.14865	6.1
383.32910	1.4
384.11490	5.0
401.12158	56.3
401.34396	3.7
402.12527	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	401.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64592	0.6
52.11479	0.5
52.55970	0.6
53.03933	0.9
54.88672	0.6
55.01848	1.1
61.40316	0.6
65.03928	1.4
67.05482	1.0
69.07050	0.6
70.67010	1.8
77.03938	0.9
79.05480	5.1
80.02634	0.7
81.07037	1.3
91.05474	4.7
93.07039	1.8
95.04357	1.0
95.04961	16.9
95.08593	0.7
103.05453	6.1
105.03371	1.0
105.07021	15.4
107.04286	1.0
107.04947	14.2
108.02085	15.6
109.10148	0.7
115.05447	3.2
118.04113	1.8
119.04909	3.3
119.08621	0.6
121.02888	0.7
121.06500	7.8
121.10081	0.6
123.04424	6.9
127.41420	0.5
129.98355	0.6
131.04910	2.8
132.05681	1.0
133.02847	3.4
133.06482	9.6
134.07246	0.7
135.04391	1.8
135.08060	4.0
135.11647	0.7
137.05934	1.2
147.04433	4.0
149.02357	3.6
149.05954	3.3
150.03065	0.7
150.06734	0.9
151.03891	26.3
151.05127	1.3
151.07520	2.9
152.04283	0.7
153.05460	1.8
159.08167	0.6
161.02251	1.5
161.05936	4.5
162.03082	1.9
163.03920	4.7
163.07520	13.3
165.05434	2.1
165.09082	0.6
167.07021	16.1
177.05457	12.6
178.06201	2.1
179.03381	100.0
179.06772	4.7
180.03751	1.8
180.07777	2.6
180.66220	0.6
181.04955	1.1
181.08588	1.5
190.02682	0.8
191.03380	1.8
193.04956	3.1
193.06804	1.2
193.08586	22.1
194.02118	3.5
194.09369	46.9
195.10152	36.4
196.10477	1.3
207.02873	87.5
208.03342	2.9
209.04446	10.3
209.07928	4.8
210.08800	2.7
217.08556	1.3
219.06413	0.6
229.08771	0.6
233.04448	12.2
247.05991	1.6
250.60664	0.6
276.07751	0.8
307.09445	0.7
315.08728	2.8
330.10852	2.8
351.12161	0.6
369.35858	0.6
375.47528	0.7
383.15033	1.9
401.12268	63.8
402.12695	3.6
410.20505	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.3
56.30558	0.3
57.03416	0.4
58.99570	0.4
61.02917	0.6
65.64960	0.3
67.05482	0.3
69.03416	2.0
69.07041	1.1
69.73039	0.5
69.73454	1.5
70.06585	0.3
73.01144	0.6
73.02902	0.9
79.05488	0.8
81.03421	0.8
81.07050	0.4
85.01077	0.3
85.02908	2.6
85.49132	0.3
87.04459	0.6
91.05471	1.0
93.07023	1.2
93.37182	0.3
95.04966	0.5
95.08599	0.8
97.02887	0.8
99.04442	1.2
105.07011	1.3
107.04892	0.5
107.08592	2.2
108.08105	0.3
108.09343	0.5
109.02847	0.3
112.02187	1.8
114.03750	1.0
115.05464	0.3
119.08561	0.9
121.10130	4.0
123.04349	0.4
123.08018	0.3
126.03737	8.3
126.70827	0.3
127.03902	0.6
128.06104	0.3
131.08505	0.5
133.10115	0.4
137.04184	1.3
140.05276	14.2
143.08569	0.3
145.04996	0.3
145.10109	1.2
146.09630	0.3
147.04298	0.3
147.11728	0.3
150.03716	0.5
151.04517	0.7
152.05267	1.1
153.05995	0.4
159.08064	0.3
163.05724	0.6
164.05287	2.3
167.07027	0.7
172.11197	1.1
177.07298	0.6
178.06844	6.4
179.08894	0.9
181.04933	0.3
186.12735	0.4
190.06816	1.2
191.07573	0.4
192.08421	2.2
194.10008	4.3
203.08908	0.4
203.10736	0.3
203.14354	0.6
204.08417	0.8
205.09012	0.7
206.09897	0.7
216.23016	0.3
219.07956	0.3
220.11533	30.8
221.11847	0.7
222.09497	0.8
222.13217	0.4
223.10271	0.5
238.12587	18.7
269.08044	0.3
276.34448	0.2
315.08575	0.4
330.11118	0.4
351.12283	0.3
361.92056	0.3
383.14935	0.8
400.17862	100.0
401.18365	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	400.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01872	6.7
56.05022	2.6
56.96552	3.2
57.03432	15.6
61.02925	17.5
69.03424	32.6
70.06571	4.8
71.01337	3.5
71.04992	2.4
71.59566	1.1
71.59945	2.1
73.02914	77.3
74.03217	1.5
76.51703	1.0
79.05524	1.1
81.03403	7.3
84.04501	18.5
85.02902	100.0
86.03191	1.8
87.04453	4.3
91.03954	6.0
96.04457	1.4
97.02886	56.1
99.04417	5.1
102.09158	1.3
103.03910	1.9
109.02870	8.0
115.03926	24.6
119.80194	1.1
120.08079	1.3
123.04433	3.7
125.02383	1.1
126.01048	2.8
127.03910	34.3
133.04005	2.6
133.04962	35.4
135.04393	1.7
145.04955	57.0
147.04420	1.4
150.07567	3.8
150.09029	0.9
152.07027	1.4
153.01836	2.2
163.06001	26.4
165.05461	5.4
167.07034	3.7
176.50557	1.1
177.05429	3.9
193.04895	1.2
199.05986	1.3
203.03391	1.1
206.08192	1.9
210.14862	1.8
211.15225	2.6
217.07048	1.7
221.00832	1.8
223.06041	5.9
238.10710	2.1
241.07057	4.8
248.09200	5.2
251.14902	5.2
259.08179	10.6
277.09033	2.2
295.10199	4.3
330.11066	1.6
338.21448	1.7
355.08371	1.4
383.14813	2.9
398.54462	2.4
400.13669	3.5
401.17007	5.1
421.95490	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.5
56.96550	2.2
57.03412	0.7
57.07079	0.8
63.10598	0.5
69.03449	2.4
70.06493	1.9
70.06897	1.3
71.08623	1.0
81.03410	1.3
81.07038	0.8
83.05006	1.0
84.04465	0.6
84.92245	0.5
85.02894	4.8
85.10190	0.7
85.86126	0.5
86.63620	0.5
87.04411	0.5
97.02888	5.0
98.97586	2.1
99.04451	1.0
101.06041	1.0
106.08817	0.6
109.02883	1.2
111.04426	0.7
116.98612	2.2
117.93719	0.5
119.04939	0.5
122.07150	0.7
123.04412	0.8
127.03907	1.6
127.47560	0.5
128.98579	0.7
129.05489	0.9
134.99660	1.4
136.06142	1.6
137.05940	0.9
139.03862	1.0
143.03404	1.0
145.03351	0.5
145.04993	0.9
146.04904	0.5
146.06009	1.3
146.99590	0.9
147.04408	0.8
147.06534	1.7
151.02705	0.5
153.01826	9.9
153.02975	1.1
154.02147	1.0
158.06018	0.6
158.99675	1.1
161.01178	1.2
161.71252	0.6
170.99620	0.6
173.02979	0.6
174.05533	0.7
175.95807	0.5
177.00706	1.2
191.08244	1.1
195.04967	0.7
203.05316	1.0
219.01775	1.0
219.07660	2.0
221.05058	1.0
237.02774	2.8
237.08704	1.1
237.12273	0.6
240.42369	0.5
244.04347	1.3
245.04869	0.6
247.06602	0.6
250.09445	2.9
255.03801	0.7
257.04385	0.8
346.68457	0.5
348.06662	1.2
363.12140	0.7
381.11194	1.0
399.12637	100.0
400.12823	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	399.126
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04990	0.6
56.96563	1.4
57.03410	0.8
57.07055	1.0
58.70000	0.6
61.02913	1.2
65.99139	0.6
68.29590	0.6
69.03418	2.1
70.06555	1.1
71.08615	1.8
71.59982	0.6
71.60426	0.8
73.02893	0.8
81.03401	2.3
83.04956	1.1
84.08108	0.8
85.02898	6.6
85.10169	1.2
87.04462	0.8
97.02879	5.0
98.97581	3.2
99.04462	0.9
101.05994	1.2
109.02855	0.9
110.06023	2.3
116.98604	1.9
117.29985	0.7
127.03884	2.0
128.98672	0.7
129.05440	0.9
134.05988	1.1
134.99626	1.2
136.06161	2.3
137.05937	0.9
139.03889	0.9
145.04953	1.1
146.05992	9.5
146.99637	1.4
147.04439	0.8
147.06491	1.2
148.03914	4.1
148.39005	0.7
150.05443	0.8
153.01828	7.9
158.06015	0.8
158.99670	1.6
160.06322	0.9
160.07573	2.1
161.07082	2.4
162.05496	1.8
164.07068	1.4
173.02986	0.7
173.07091	7.7
174.05463	6.3
175.08662	2.4
177.00728	2.0
185.07083	1.5
188.07050	1.4
190.04944	1.0
191.08148	8.8
195.01648	0.9
198.32747	0.8
199.08705	2.4
201.00751	0.7
201.06645	1.4
203.08131	0.9
209.31213	0.7
215.08093	1.6
216.06645	1.0
219.01878	1.6
219.07637	13.2
225.06662	1.2
232.08505	1.0
233.09210	2.8
237.02826	2.5
237.08728	8.2
239.90213	0.7
243.07629	1.8
250.09326	1.5
261.08780	2.8
267.04471	1.2
276.05157	1.0
279.09836	6.0
339.05649	1.4
357.06613	0.8
363.11938	1.7
364.10352	1.9
381.12448	5.2
393.08475	0.8
399.12613	100.0
400.13168	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	399.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30140	1.8
55.01845	2.2
56.05005	2.5
56.96535	6.6
57.03406	3.1
60.04509	2.2
61.02900	5.0
69.03422	11.1
70.02195	9.8
70.06574	3.7
73.02906	2.2
76.07602	2.6
81.03386	3.0
83.04954	2.2
84.04456	2.3
85.02898	14.8
97.02881	16.2
97.19259	2.2
98.97574	17.4
102.05511	5.7
109.02833	3.0
110.97548	4.1
116.07001	2.7
116.98590	10.7
119.01808	7.2
121.01636	2.6
123.04366	5.8
125.41855	2.2
127.03915	16.9
128.98512	6.6
131.01898	2.6
134.99591	3.7
136.06146	12.7
139.03867	10.6
143.01790	2.9
145.04909	3.6
146.99586	5.8
153.01816	15.7
158.99577	8.3
161.01216	2.3
161.02878	5.5
163.03801	2.8
170.99550	5.0
173.02882	4.5
177.00708	13.0
182.31802	2.4
189.00572	8.4
189.02199	2.1
197.01175	3.0
198.98532	16.3
207.01613	2.5
216.99451	6.1
219.01660	8.6
219.07884	3.1
228.05568	6.5
228.99545	2.2
237.02618	6.4
237.06151	6.8
246.03491	2.2
249.02522	3.6
250.09361	13.3
257.04333	7.5
263.00836	2.2
279.03726	10.6
297.04718	2.3
298.09927	3.6
301.01492	4.1
309.05295	3.4
319.02606	2.9
323.05872	4.0
339.05130	3.1
339.09113	11.2
357.06433	3.7
381.07071	2.7
399.10376	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.0
56.05009	0.5
56.96553	1.0
62.06079	1.1
67.05502	2.4
69.03452	0.5
69.07063	4.6
70.06609	0.6
71.04938	0.5
71.08284	0.6
71.08634	6.4
72.08146	1.7
79.05476	1.6
79.31853	0.5
81.07060	4.6
83.04964	1.1
83.08604	1.0
84.08125	1.7
86.06065	4.6
91.05476	1.6
93.07044	3.2
95.04953	0.8
95.08608	3.4
96.08113	3.3
97.02873	0.6
97.06511	1.3
97.10147	1.8
98.06057	1.2
98.09692	3.7
99.04438	0.9
99.08072	2.8
99.64185	0.5
105.07021	1.0
107.08591	1.8
108.08131	0.8
109.10153	1.4
111.11676	0.6
116.10727	22.4
116.98621	0.5
119.08562	0.9
121.10156	2.6
122.09657	2.0
124.07571	0.8
131.08572	0.9
133.10138	1.0
136.11185	1.0
137.05919	0.6
138.09157	0.6
138.98079	0.5
139.11159	1.1
142.12271	0.6
143.08527	0.6
143.10632	3.5
145.10066	0.9
147.11617	0.6
149.09669	0.7
154.15891	2.7
166.15887	2.0
167.07022	0.5
178.15921	1.1
181.05002	0.5
196.16974	7.1
203.12666	0.6
211.13303	1.5
214.18011	100.0
215.18321	2.3
228.15926	0.7
229.14320	2.9
246.18558	0.6
264.19534	1.3
282.20587	8.1
300.21680	23.1
301.21747	1.1
333.21094	0.6
345.05942	0.6
380.27847	1.5
398.28986	7.8
399.24020	0.9
399.28714	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1492
Annotation	2-Methylthioribosyl-trans-zeatin
Peak:m/z	Relative Intensity
55.01854	0.9
55.05511	0.4
57.03445	1.5
57.07078	0.4
61.02891	0.4
67.05473	1.2
69.03411	0.6
69.71803	2.3
71.01328	0.6
71.97114	0.3
73.02922	0.7
84.86181	0.3
85.02888	1.6
85.06490	0.3
97.02868	0.6
123.04387	1.0
124.03939	2.4
125.04288	1.1
126.04427	0.6
133.10159	0.5
134.04608	7.0
135.02997	0.8
137.45753	0.4
140.02702	0.9
151.11166	0.7
152.05621	1.9
165.02325	4.5
167.02599	0.8
182.04951	100.0
183.05246	1.5
185.08052	0.5
191.14264	0.5
194.04938	2.1
200.09286	0.9
205.05487	2.3
216.04604	1.0
217.15877	0.3
218.16240	0.5
219.07011	0.7
223.30975	0.3
231.06963	7.2
248.09644	11.3
249.09947	0.4
266.10687	80.5
267.11008	3.0
273.07724	0.4
281.06799	0.4
318.95859	0.3
398.14920	38.8
399.15280	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	10.1
55.05496	2.0
57.03435	15.5
59.04995	1.5
61.02920	15.4
65.03916	1.8
67.05489	4.5
69.03075	2.4
69.03424	34.4
69.07063	32.1
71.01348	4.5
71.04946	1.6
71.59904	2.5
71.60268	1.7
73.02911	84.9
79.05491	2.8
81.03394	9.8
81.07042	2.5
83.04977	5.4
84.04489	6.1
85.02901	100.0
85.06529	2.0
86.03207	2.1
86.09672	2.1
87.04453	6.0
91.03939	5.2
91.05465	5.0
93.07005	1.8
95.04963	5.3
97.02884	65.6
97.06523	1.8
99.04446	7.3
101.02379	2.1
103.03919	4.8
105.07092	3.7
107.04941	28.2
109.02856	9.5
111.04420	9.8
111.08075	4.7
115.03921	33.6
119.04943	4.8
121.02823	2.2
123.04380	3.1
124.07568	2.0
124.91520	1.6
127.03902	37.7
129.05469	4.7
132.08076	2.7
133.04956	56.6
133.06438	3.8
135.04393	5.4
137.05965	2.1
139.03888	4.4
145.04950	74.2
145.06467	4.2
146.06062	2.4
147.04407	13.8
149.08379	5.2
150.07567	4.8
150.09122	2.3
157.04941	4.1
160.06395	1.5
160.07532	10.4
161.05956	3.3
162.09167	2.4
163.03922	7.7
163.06007	38.6
165.09138	1.5
167.07019	1.8
178.08591	3.9
181.04822	1.9
183.10161	3.6
186.49739	2.0
188.07048	15.6
189.05560	2.3
193.04871	2.1
195.10173	2.1
199.05945	2.0
201.11220	5.7
206.08121	11.7
207.06528	1.9
213.11160	4.6
217.07033	2.7
223.06004	11.4
231.12276	6.3
236.09233	3.5
241.07088	11.3
259.08136	24.0
277.09140	7.1
295.10202	20.0
337.09100	5.1
380.13361	5.5
398.14557	13.0
399.15872	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	398.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04938	1.3
55.01876	3.0
55.05505	3.0
56.05027	4.6
57.03421	5.1
59.05005	1.5
61.02925	2.6
65.03924	7.4
67.05503	10.0
69.03119	1.7
69.03431	16.7
69.07052	6.4
70.06583	3.4
71.59440	1.3
71.59856	1.7
73.02917	15.7
77.50671	1.6
79.05488	4.8
81.03419	4.1
82.06609	3.5
83.04977	18.0
84.04500	27.9
85.02910	24.5
86.99867	1.6
87.04449	2.0
89.03918	1.6
91.05482	16.4
93.03412	6.6
93.07048	1.5
95.04969	11.2
97.02885	14.1
97.29409	1.5
99.04443	2.2
102.05537	2.1
103.05482	1.9
103.48940	1.4
105.07070	7.2
106.02901	2.7
107.01447	1.5
107.04952	100.0
107.08584	1.6
108.05286	2.4
109.02854	2.4
109.06548	2.1
110.06054	2.0
111.04437	30.2
115.03939	7.4
115.05444	3.6
117.03389	2.5
117.05787	1.7
117.07014	4.8
118.50533	1.3
119.04936	19.5
120.08071	2.9
121.02876	3.4
122.06065	2.4
123.04426	4.9
124.03912	1.9
127.03944	9.2
129.05476	19.3
131.04933	2.5
132.08090	10.7
133.04976	8.2
133.06488	9.3
134.05997	5.2
135.04410	21.1
136.07562	2.8
139.03909	15.9
143.04919	2.9
145.02875	6.9
145.04997	12.9
145.06400	9.2
146.05994	18.7
147.04408	53.9
147.06581	3.9
148.07585	11.8
149.08366	13.2
150.09161	7.4
152.07074	2.5
153.01825	4.0
153.05487	1.7
157.04961	6.4
160.07574	38.7
161.04745	2.4
161.05974	13.5
162.05521	4.7
162.09122	15.2
163.03899	33.7
163.05988	7.8
163.07487	3.4
164.04242	1.5
164.07106	4.2
165.05469	1.7
171.04433	4.6
173.04706	3.0
175.06046	5.2
175.07584	1.9
176.07162	1.9
177.05455	3.8
178.08641	15.0
181.04915	1.8
188.07060	74.9
189.05486	10.5
189.07310	3.0
190.08794	1.6
203.05615	1.7
204.08650	2.3
206.08127	49.9
207.06650	1.8
224.09126	9.6
236.09154	9.6
236.12798	2.3
237.02707	2.2
259.08145	1.9
270.25586	1.5
276.10916	5.0
291.08624	4.4
295.10327	2.2
309.09863	3.3
337.09180	30.6
337.12946	2.5
362.12329	1.7
380.13400	26.8
381.11942	2.2
398.14465	63.8
399.15497	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	397.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	7.8
57.07073	11.9
67.05499	14.3
67.66551	1.0
67.82896	1.2
69.07062	16.0
71.08632	11.3
71.27217	2.4
79.05475	6.5
81.06580	1.9
81.07050	34.2
83.08600	10.0
85.10175	8.5
91.05470	8.9
93.07034	14.7
95.08601	28.3
97.10168	8.4
105.07016	15.9
107.08590	15.3
109.10147	27.0
111.11703	5.6
114.87680	1.1
119.08569	14.3
121.10126	9.9
123.11691	8.4
125.13255	2.2
131.08589	1.5
133.10136	13.0
135.11682	24.3
137.13231	4.7
145.10101	3.7
147.11676	35.0
149.13234	12.3
151.14838	2.8
159.11661	3.5
161.13245	31.7
163.14824	7.1
165.16425	2.4
173.13257	1.9
175.14824	14.7
177.16441	2.1
187.14867	2.4
189.16403	6.2
193.19463	1.1
195.29575	1.3
201.16402	4.8
203.17969	6.9
215.18018	6.3
217.19525	3.9
222.03711	1.1
229.19525	5.1
233.22739	1.7
235.24118	1.3
243.21135	6.7
257.22592	6.7
261.25659	2.8
275.27246	2.3
285.25732	1.6
287.27332	4.0
301.28879	1.7
315.30438	2.2
396.61020	1.1
397.38272	100.0
398.38699	4.7
403.66104	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.0
55.05494	2.5
56.05029	4.0
56.55496	1.7
57.03419	2.8
58.61266	1.6
59.05028	1.5
65.03929	4.1
67.05486	6.5
68.99785	2.2
69.03429	10.4
69.07045	2.9
69.28648	17.9
70.06593	1.7
73.02898	2.5
74.23914	1.6
74.38379	1.4
79.05483	3.5
79.84138	1.6
83.04982	13.4
84.04506	21.8
85.02890	12.6
91.05474	9.5
93.03392	7.1
95.04976	14.2
97.02884	4.0
103.05424	2.4
105.07004	5.9
106.06535	1.6
107.04947	100.0
108.05225	2.0
109.10128	2.0
111.04434	25.0
115.05395	1.9
119.04911	8.9
123.04407	7.9
127.03953	2.2
129.05470	16.1
129.72319	2.2
132.08069	8.0
133.05125	2.0
133.06450	7.4
133.07417	1.9
134.06027	3.8
135.04407	14.8
136.07520	3.6
137.05936	2.1
139.03870	10.3
143.04877	1.8
144.08078	2.0
145.02861	4.7
145.06474	7.3
146.06000	3.7
147.04405	25.7
147.06638	2.6
148.07590	9.3
149.08339	12.5
150.05457	2.4
150.09138	7.0
153.01776	2.0
157.04947	6.7
160.07573	25.7
161.05931	9.0
162.05473	3.2
162.09151	7.5
163.03896	17.3
164.07027	3.4
175.06076	3.1
175.07491	2.0
177.05486	6.5
178.08675	8.7
182.82491	1.9
184.36833	1.8
188.07037	33.2
189.05447	8.9
189.07249	2.2
190.08589	6.3
191.61809	1.6
192.10176	7.8
204.08698	4.8
206.08125	34.6
207.06519	2.1
207.17523	1.8
218.08092	4.9
219.06465	2.1
224.09142	5.0
236.09149	23.8
236.13100	1.9
276.10657	2.9
291.08472	4.4
309.09705	7.4
327.07364	2.1
337.09128	26.1
380.13321	22.6
398.14618	47.0
399.15610	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	397.2201
Annotation	His Leu Gln
Peak:m/z	Relative Intensity
55.01844	0.4
55.05499	0.4
61.79010	0.3
62.76920	0.3
67.05499	1.0
69.03411	0.9
69.07066	0.4
71.60728	0.6
79.05463	0.7
81.03395	0.5
81.07043	1.6
81.07728	0.3
85.02879	1.0
91.05453	0.7
93.07031	1.2
95.04950	0.5
95.08568	0.9
105.07001	1.6
107.08562	1.5
109.10155	0.5
111.08131	0.3
119.08579	1.3
121.06506	0.4
121.10148	1.1
125.09628	0.7
127.03915	0.6
131.08524	0.3
133.10126	0.8
135.11685	0.4
137.05962	0.5
137.09612	0.5
144.84659	0.3
145.10109	0.6
147.04395	0.4
147.11678	0.7
149.09572	0.4
153.01846	0.5
157.10120	0.7
159.11674	0.5
161.09579	0.4
171.11732	0.4
173.13177	0.7
175.14842	0.5
195.11441	0.3
199.14851	0.7
207.83926	0.3
217.15895	0.8
235.16911	1.4
277.00317	0.4
296.46185	0.4
397.21951	100.0
398.22223	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	397.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.4
55.05499	0.4
61.79010	0.3
62.76920	0.3
67.05499	1.0
69.03411	0.9
69.07066	0.4
71.60728	0.6
79.05463	0.7
81.03395	0.5
81.07043	1.6
81.07728	0.3
85.02879	1.0
91.05453	0.7
93.07031	1.2
95.04950	0.5
95.08568	0.9
105.07001	1.6
107.08562	1.5
109.10155	0.5
111.08131	0.3
119.08579	1.3
121.06506	0.4
121.10148	1.1
125.09628	0.7
127.03915	0.6
131.08524	0.3
133.10126	0.8
135.11685	0.4
137.05962	0.5
137.09612	0.5
144.84659	0.3
145.10109	0.6
147.04395	0.4
147.11678	0.7
149.09572	0.4
153.01846	0.5
157.10120	0.7
159.11674	0.5
161.09579	0.4
171.11732	0.4
173.13177	0.7
175.14842	0.5
195.11441	0.3
199.14851	0.7
207.83926	0.3
217.15895	0.8
235.16911	1.4
277.00317	0.4
296.46185	0.4
397.21951	100.0
398.22223	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	397.2199
Annotation	His Leu Gln
Peak:m/z	Relative Intensity
50.07439	0.5
56.96560	0.7
57.03425	0.5
63.86488	0.5
67.05492	1.4
69.03417	1.2
69.07045	1.3
71.04964	0.6
71.59174	1.0
79.05482	1.5
81.03411	1.0
81.07044	3.3
83.04987	0.8
83.08643	0.6
85.02906	2.2
85.60404	0.5
91.05451	0.7
93.07030	2.5
95.04963	1.4
95.08595	2.2
97.02902	1.0
105.07017	2.2
107.08594	1.8
109.02905	0.9
109.06482	1.0
109.10122	1.8
119.08577	3.0
121.10133	1.4
123.04408	0.8
123.08057	0.8
125.09588	0.8
127.03891	0.6
131.08557	1.3
132.09485	0.6
133.10124	1.4
137.05969	1.5
143.08630	0.8
145.10118	1.7
147.11635	0.7
153.01819	1.2
157.10060	0.9
159.11661	0.8
159.42189	0.6
161.09621	0.6
161.13261	0.7
163.11153	0.6
169.10089	0.8
171.30730	0.7
175.14746	0.8
189.12766	0.6
189.16412	0.9
189.60912	0.6
217.15894	2.5
235.16965	2.5
288.01675	0.7
397.21948	100.0
398.22330	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	396.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43560	1.1
51.72638	1.0
55.05507	8.2
56.69341	1.2
57.07079	12.3
59.04998	2.3
61.02921	1.7
67.05490	1.9
69.03423	2.8
69.07069	62.2
71.04984	4.8
71.08631	9.1
71.59887	1.9
73.06552	11.9
81.03424	1.7
81.07053	2.2
83.08605	3.2
85.02905	6.6
85.06585	1.1
85.10176	5.2
86.06061	2.6
89.06032	34.6
93.06988	1.6
94.14827	1.1
97.02859	1.4
105.07031	2.7
106.85152	1.3
109.02875	1.4
109.10135	1.3
111.11718	90.3
116.10719	3.4
119.08567	2.3
127.03936	1.7
127.11159	1.3
129.12755	100.0
133.14636	1.4
137.09605	1.5
143.10634	1.4
145.04977	1.6
159.11633	1.2
169.57820	1.1
199.16931	17.5
214.18013	1.4
217.17963	13.0
237.23514	1.3
298.20255	6.9
396.27292	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	397.1643
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
51.58481	1.2
52.21480	1.2
59.32028	1.2
67.05501	2.1
69.03412	3.9
69.07065	3.5
71.58633	1.9
71.58997	1.9
81.03401	2.3
81.07060	2.3
85.02912	8.6
85.06525	1.9
91.05478	11.2
93.07043	1.9
94.04173	1.4
95.04962	2.3
97.02866	2.6
98.97598	1.5
103.05495	2.9
104.85009	1.8
105.07028	3.4
107.04955	2.8
107.08608	2.6
109.02913	1.9
109.06511	1.6
115.05459	2.1
115.98376	1.3
117.06948	1.6
119.04941	3.4
119.08589	1.6
121.06492	2.1
122.03644	3.7
123.08107	2.1
127.03941	1.9
128.06219	2.7
129.07008	5.4
130.93625	1.1
131.04953	2.6
131.08543	4.1
133.10168	2.8
135.07997	1.8
137.05975	73.5
141.07025	3.0
142.07762	1.8
143.08545	2.1
145.10158	1.6
147.04443	3.3
147.11763	1.9
149.05960	4.6
149.09572	2.5
151.07539	10.2
153.01859	2.5
153.07167	1.5
155.08554	3.1
157.06509	2.4
158.07243	2.7
159.08080	3.4
161.05971	12.7
161.09650	2.4
163.07516	1.6
165.06996	2.2
165.12732	1.7
167.08551	3.2
169.06494	2.8
170.07227	2.5
171.08044	2.4
172.05199	1.9
172.08801	3.0
175.07556	2.6
182.07295	4.0
183.08022	3.8
184.05193	1.7
184.08849	2.9
185.06032	1.7
185.09612	7.4
187.07523	4.5
189.09143	2.4
191.07059	4.0
191.14372	1.6
194.07272	2.5
195.07967	3.3
197.06052	1.9
197.09552	8.3
198.06758	13.0
199.07536	7.0
199.11195	2.7
200.08357	2.4
201.09024	1.9
203.08418	1.6
209.15489	1.9
210.06718	1.9
211.07552	4.0
212.08299	2.2
213.09062	18.2
215.10648	6.0
217.15907	6.0
225.09073	10.4
230.27530	1.4
231.07983	2.7
235.16936	3.4
243.07913	2.6
243.10132	15.8
245.09557	2.1
245.11758	2.2
255.10358	6.5
257.09509	2.5
259.07584	2.4
261.09125	4.3
271.07639	1.8
273.11218	55.3
275.10648	4.1
276.07687	3.3
277.08511	3.7
278.09473	1.8
288.07788	1.8
289.08633	2.7
289.12155	2.2
291.10144	5.4
292.07178	2.9
292.10507	2.2
293.08310	3.5
293.11526	3.1
301.08511	2.6
302.09299	2.1
303.10229	4.7
304.10748	1.5
305.11548	4.6
306.08957	3.0
307.09634	7.7
308.10446	5.5
317.15100	1.6
319.09863	1.9
320.10406	2.5
321.11249	6.4
322.12051	1.8
323.12558	1.5
325.10626	2.5
333.11160	4.3
334.11792	2.2
335.13007	7.1
337.14572	2.4
339.12189	3.4
347.12622	1.9
349.14279	5.1
351.12210	11.1
353.13562	2.8
354.14548	16.6
356.01483	1.5
361.14349	2.1
365.14035	2.6
367.15335	5.2
379.15363	14.2
397.16385	100.0
397.22061	28.1
398.17044	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	395.367
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10015	1.4
52.77889	1.1
55.05517	8.9
57.07062	4.0
67.05502	26.6
69.07059	17.1
70.02632	5.1
70.03046	2.5
73.78654	1.1
79.05487	5.8
80.84750	1.1
81.07055	29.2
83.08621	7.7
91.05473	5.0
93.07039	16.9
95.08603	70.8
97.10155	5.6
98.21388	1.7
105.07015	7.1
107.08591	26.6
109.10153	100.0
111.11740	4.8
117.06966	1.6
119.08576	13.1
121.10143	23.5
123.08080	1.3
123.11700	16.4
133.10120	12.5
135.11691	16.5
137.13243	5.3
145.10176	1.7
147.11647	7.0
149.13254	14.3
151.14833	2.3
159.11696	2.8
161.13286	5.2
163.14821	7.6
173.13301	1.7
175.10779	1.2
175.14857	2.8
177.16377	15.2
189.16408	15.1
191.17961	5.5
203.17955	5.1
205.19507	41.7
217.19568	2.8
219.21088	2.3
219.63510	1.2
221.22763	1.3
231.21103	3.8
243.20963	1.5
257.22708	2.5
271.24213	1.6
285.25586	1.9
395.20532	2.3
395.32684	1.7
395.36844	20.9
396.36926	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	396.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.3
53.03918	0.2
60.92039	0.2
66.46732	0.2
67.05486	0.3
68.99784	0.6
69.03877	0.2
70.88384	0.5
77.03922	0.4
78.03443	1.1
78.80378	0.2
79.04221	0.2
80.05007	3.1
84.34432	0.2
85.02888	0.2
89.03886	0.2
95.04967	0.5
96.04486	2.9
97.62973	0.2
105.03373	0.7
106.02911	2.7
107.04937	0.2
109.24290	0.2
111.00789	1.2
117.03444	0.2
119.04897	0.3
123.04420	39.0
124.03942	100.0
125.04283	1.8
127.03857	0.3
133.90868	0.2
135.04401	3.2
139.03897	5.0
145.06505	0.2
147.03223	0.3
147.04393	5.1
151.03888	1.4
161.05923	0.3
163.03851	0.9
163.07552	1.2
188.06664	0.2
189.05460	0.8
199.07500	0.3
213.05469	0.3
216.31387	0.2
221.20177	0.2
227.07059	0.3
255.06519	0.7
258.07623	0.6
270.07486	0.2
273.07553	11.6
274.08063	0.3
274.23447	0.2
339.40216	0.2
396.10767	9.2
397.11179	0.7
409.27560	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.131
Annotation	Unknow
Peak:m/z	Relative Intensity
83.18340	0.2
85.02892	0.4
91.05438	0.4
95.08567	0.3
123.04481	0.6
125.90438	0.3
134.36227	0.2
145.25899	0.3
147.04384	0.7
150.48958	0.3
153.01834	0.4
173.78566	0.3
177.05591	0.2
185.04196	2.9
217.04762	0.8
218.66011	0.3
231.06474	0.5
232.07039	9.7
233.07787	6.3
243.06522	1.3
256.64563	0.3
364.11188	1.0
365.11929	0.7
395.13113	100.0
396.13416	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	395.131
Annotation	Unknow
Peak:m/z	Relative Intensity
60.54127	0.4
70.97131	1.4
72.08141	1.1
85.02904	0.9
85.30044	0.5
91.05487	0.9
105.07018	0.7
107.04923	0.5
119.04906	0.5
120.08064	0.7
123.04440	1.2
134.05989	1.8
147.04388	2.2
152.07094	0.5
153.01843	0.8
158.18867	0.4
162.05531	0.6
180.58344	0.5
185.04199	2.7
204.06564	1.0
217.04723	1.0
226.58900	0.5
232.07031	6.0
233.07835	6.1
243.06448	2.6
338.15906	0.5
364.11615	0.7
395.08752	3.5
395.13107	100.0
396.13461	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	395.2039
Annotation	Gly Arg Tyr
Peak:m/z	Relative Intensity
51.37853	0.2
69.65509	1.5
70.07758	0.2
76.37884	0.2
83.05981	0.2
106.42683	0.2
298.43372	0.2
366.41714	0.2
395.20374	100.0
396.20685	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	394.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.4
55.01867	1.1
55.05502	4.4
57.03410	2.5
61.76254	0.8
64.76411	0.8
67.05499	7.6
69.03413	1.5
69.07054	7.4
70.06570	2.1
71.04982	4.0
71.60409	1.6
73.47070	0.9
79.05488	5.5
81.07051	20.3
83.04981	2.5
83.08607	5.6
85.02892	9.3
85.06548	4.9
91.05471	8.8
93.07032	7.6
95.04951	1.8
95.08599	32.4
97.02883	3.6
97.06516	7.1
97.10168	2.5
99.08072	2.7
105.03382	1.9
105.07030	9.9
107.04883	0.9
107.08598	4.4
109.02895	1.2
109.06474	1.2
109.10158	2.9
111.08046	1.6
113.09621	1.1
113.11654	1.3
115.07505	1.6
119.08568	14.7
121.10135	4.7
123.08038	3.1
123.11639	1.7
127.03893	2.1
133.10127	12.2
135.11700	8.6
137.13229	9.5
145.04884	1.7
147.04373	1.7
161.05904	0.9
161.13248	39.3
162.13597	1.3
168.69618	1.2
179.14296	42.7
180.14572	1.0
197.09526	2.6
197.15373	16.1
215.16411	100.0
216.16754	2.1
289.03339	1.2
394.14413	1.3
394.19153	11.0
395.06406	1.2
395.11581	1.0
395.20743	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	394.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13629	1.2
50.16285	1.2
51.63618	1.2
53.03950	2.3
55.05509	9.8
57.03435	5.3
61.02919	2.6
67.05503	14.3
69.03429	6.5
69.07069	11.5
70.06604	3.3
70.96144	2.7
71.04996	4.0
79.05498	9.9
81.03407	2.2
81.06581	2.0
81.07056	40.9
83.04969	2.4
83.08625	14.0
85.02906	26.0
85.06535	7.6
89.06042	2.3
91.05503	9.8
91.05993	1.7
93.07046	13.1
95.08603	54.9
97.02886	6.7
97.06525	13.1
97.10163	7.3
99.08089	5.2
105.07034	16.4
107.08606	8.3
109.02840	1.9
109.06515	2.2
109.10155	5.5
111.08120	1.9
113.09679	3.1
115.07560	1.7
119.08585	26.3
119.91364	1.5
121.10127	8.7
122.10467	1.6
123.08076	6.0
127.03901	2.9
127.62081	1.3
133.10121	20.5
135.11693	12.7
136.98863	1.7
137.09605	2.1
137.13258	10.5
141.09085	2.0
145.04935	2.9
151.14865	1.5
153.01846	1.9
153.50473	1.7
161.13251	72.3
162.13655	2.0
163.03920	1.6
174.91264	1.3
179.14308	100.0
180.14668	1.8
197.15369	55.2
203.05228	5.0
204.05571	1.9
215.16435	12.0
233.11314	1.7
233.15221	1.7
243.06490	1.9
244.22646	2.5
298.39111	1.3
394.19180	36.6
394.26883	1.8
394.30850	6.9
395.11856	2.5
395.15408	2.9
395.20395	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	394.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19014	0.9
53.03947	1.4
54.21275	1.0
55.01859	1.0
55.05516	5.4
56.96552	1.4
57.03428	1.7
57.07071	1.8
61.02908	1.1
65.03955	0.8
67.05505	7.8
69.03419	4.0
69.07071	6.9
70.06580	1.5
70.63360	0.8
71.04987	3.2
71.08619	3.1
71.60276	1.0
71.60680	1.3
77.34662	1.1
79.05499	4.2
81.03402	4.0
81.07057	30.9
83.04977	2.8
85.02904	6.8
85.06539	1.3
87.04436	1.0
91.03959	0.8
91.05468	3.8
93.07040	7.9
95.04976	4.3
95.08611	7.8
97.02890	2.7
97.06541	2.6
97.10171	1.4
98.54476	0.8
98.97575	1.0
99.04448	5.8
99.08080	2.9
105.07035	5.8
107.04971	1.8
107.08589	6.0
109.02853	1.2
109.06530	10.9
109.10149	6.3
111.04427	1.7
111.08116	0.8
113.06022	1.2
116.07131	0.8
119.04911	1.1
119.08581	1.6
121.06476	1.1
123.04444	5.7
123.08051	2.5
123.11703	48.3
124.12029	1.0
125.05972	3.5
127.03922	5.8
133.10112	7.1
135.08090	2.0
135.11719	1.6
137.05975	3.6
137.13266	3.0
139.46732	0.9
141.05469	2.2
143.08574	0.8
147.04420	6.8
151.11182	26.2
153.01848	1.7
153.12738	3.0
153.71474	0.8
161.05960	1.4
161.09627	3.8
161.13220	3.7
169.12231	11.5
177.00720	1.0
179.10674	18.6
179.14297	5.1
184.52440	0.9
185.07117	3.0
197.11732	48.3
197.15416	4.8
203.05331	1.0
215.12787	100.0
216.13080	1.8
243.06564	1.7
268.29996	0.9
286.74228	1.1
311.85223	1.0
394.05573	1.0
394.19083	10.5
395.11182	3.5
395.20303	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	394.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70250	0.7
53.03934	0.9
55.01861	1.5
56.96553	4.1
57.03421	2.8
60.04512	1.0
61.02915	2.5
65.03946	1.0
67.88926	0.7
69.03432	7.8
71.59047	0.8
71.59421	1.1
72.08137	2.7
73.02892	1.9
79.01861	1.3
81.03419	4.1
83.55001	0.8
84.96001	0.8
85.02901	16.1
87.04470	1.7
91.05486	7.1
95.04977	1.2
97.02882	8.4
98.97569	6.0
99.04442	1.7
107.04937	2.0
109.02836	3.5
109.06543	1.0
110.97612	1.1
111.04470	1.3
112.07600	1.0
116.98615	6.9
119.01873	1.9
119.04943	23.9
122.03656	2.1
123.04367	1.1
127.03921	5.6
128.98586	1.6
131.01848	0.9
134.02089	1.0
134.99615	4.7
137.05971	100.0
137.57951	0.9
138.06279	2.4
139.03867	1.9
143.03418	1.9
145.04973	2.6
146.99622	2.6
147.04401	49.0
148.04747	1.7
150.05605	1.1
151.07570	2.6
153.01816	16.8
153.05341	1.0
153.84262	0.9
154.02165	2.0
155.02086	0.8
158.01292	0.9
158.99667	2.4
159.06387	0.8
161.01277	1.4
161.02832	1.8
161.05872	0.9
163.07484	1.3
165.05547	1.2
166.07233	2.1
167.07024	2.2
170.99664	1.1
177.00658	4.4
179.07024	58.9
180.07420	1.4
181.08577	2.0
189.00691	1.2
197.08083	25.2
201.00748	1.0
207.01860	1.0
214.94507	2.0
219.01767	3.3
222.04637	0.9
232.95569	3.6
233.10146	1.7
237.02820	6.0
255.03842	1.3
272.06509	1.2
272.10037	0.9
295.07718	1.2
304.08127	1.3
309.08234	1.3
311.00903	0.8
313.08258	1.1
317.05368	1.4
335.06345	1.9
335.10165	2.2
393.61057	1.3
394.10358	1.4
394.34406	1.2
395.12537	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	394.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10268	0.8
51.39407	0.9
53.88641	1.0
55.07266	0.9
56.96564	2.5
57.03419	2.7
57.07074	1.0
60.04475	1.0
61.02909	3.1
67.05477	1.5
69.03420	7.1
70.06609	1.3
71.04996	1.2
71.59029	1.9
71.59414	1.0
72.08148	2.3
72.83831	1.1
73.02915	1.1
77.08495	1.1
79.01859	2.1
81.03410	3.6
85.02901	19.0
91.05482	8.7
94.04155	1.3
95.04973	1.1
97.02887	6.4
98.97577	8.4
99.04450	1.3
103.05443	1.4
106.39674	1.0
107.04990	2.4
109.02857	2.7
111.04458	1.0
112.07555	1.5
114.05508	3.5
116.98618	7.5
119.04943	22.6
121.06516	1.2
122.03616	1.5
123.04423	1.4
125.02381	1.4
126.25514	1.0
127.03924	4.6
128.98579	1.2
134.09659	1.1
134.99654	3.8
135.04424	1.3
137.05974	100.0
138.06343	1.6
139.03923	2.4
143.03413	3.2
145.04945	2.0
146.99634	2.8
147.04416	53.3
148.04759	1.5
149.04613	2.8
149.05916	1.6
151.07523	3.1
153.01822	38.3
154.02142	2.7
155.03371	1.4
158.99686	2.8
161.01216	1.6
166.07246	21.6
166.08524	1.8
167.07014	3.4
172.53937	1.0
177.00700	6.0
177.05464	1.9
179.07033	63.2
180.07361	2.7
181.08670	1.5
189.00722	1.2
190.96379	0.9
193.04985	1.4
197.08080	25.8
217.55640	1.0
219.01794	3.9
232.06007	2.2
237.02728	5.6
265.03784	1.1
274.58850	1.0
275.04370	1.3
283.04715	1.6
284.02023	1.2
291.07251	1.2
295.07489	2.2
304.08206	2.7
394.11026	2.1
394.34497	1.4
395.12753	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	393.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.9
55.05504	20.4
57.07076	14.1
64.80975	2.3
65.03944	3.9
67.05494	33.8
69.03408	2.6
69.07062	22.7
69.79434	14.9
71.08609	3.8
79.05488	33.1
81.03406	3.1
81.07053	67.1
81.60323	2.2
83.04973	6.6
83.08593	11.8
83.28030	2.3
85.06565	3.9
86.85350	2.6
91.04953	4.7
91.05476	49.3
93.07037	78.9
95.04963	56.1
95.08605	61.7
97.06532	13.1
97.07065	2.5
97.10172	2.9
98.21494	4.0
98.76605	2.5
98.98464	7.1
103.05495	5.2
105.07024	81.7
107.08591	54.2
109.06487	18.4
109.10149	32.3
111.08090	3.4
115.05417	5.0
117.06488	2.0
117.07037	21.8
119.04969	2.6
119.08572	100.0
120.08853	2.7
121.06509	19.2
121.10138	38.0
123.08044	7.5
123.11693	19.3
128.06212	8.1
129.07021	14.2
130.07803	6.5
131.08560	45.7
133.06516	3.2
133.10118	54.4
135.08040	5.5
135.11705	28.7
137.09576	5.8
137.13292	2.7
141.06992	8.0
142.07780	21.8
143.08553	34.7
144.09332	7.1
145.06511	2.3
145.10112	69.2
147.07942	5.4
147.11694	24.0
149.09631	5.3
149.13290	4.6
149.88222	2.5
154.07843	3.7
155.01019	21.7
155.08493	13.0
156.09332	8.1
157.10115	55.2
158.10847	4.2
159.08084	4.7
159.11685	48.1
161.09641	16.9
161.13266	8.0
163.11171	3.8
163.14851	3.5
165.07005	5.2
167.08600	6.6
168.09325	5.9
169.10095	25.2
170.10930	6.0
171.08043	4.3
171.11679	32.0
172.12471	4.7
173.09621	3.1
173.13245	24.8
175.11191	14.9
175.14812	19.9
179.08531	4.4
181.10107	12.3
182.10907	5.6
183.11685	19.7
184.12418	2.4
185.09682	4.3
185.13199	14.2
187.11205	9.7
187.14827	11.2
189.12682	2.7
192.09357	3.0
193.10153	5.9
194.10965	5.7
195.11646	12.5
196.12492	5.0
197.09792	2.4
197.13268	20.1
199.14883	6.7
201.12639	4.1
201.16418	11.1
203.14256	2.6
205.10132	2.4
206.10849	3.3
207.11681	7.3
209.13210	14.7
210.14027	2.9
211.14851	10.7
213.16446	7.4
219.11624	3.3
221.13235	4.7
223.14899	7.9
225.16394	6.6
227.14290	4.9
235.14780	4.8
237.16423	4.9
239.17947	3.1
239.23575	3.1
251.17836	3.7
253.15869	7.9
253.19534	3.3
255.17358	2.9
265.19562	4.2
271.20343	2.9
295.20630	2.7
375.26904	7.1
393.27280	13.0
393.31851	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33083	0.2
69.03443	0.2
70.79012	0.7
75.82185	0.2
81.07053	0.5
93.07032	0.3
95.08606	0.5
105.07025	0.4
107.08552	0.2
109.10155	0.3
110.91356	0.2
121.10134	0.3
123.11657	0.3
125.02290	0.2
130.84126	0.2
146.16599	0.2
153.01793	0.8
177.16299	0.2
177.33842	0.3
201.03793	0.5
203.05219	1.2
213.12526	0.4
213.18604	0.3
231.13525	1.8
263.10223	0.2
278.33160	0.2
389.67609	0.2
393.18829	100.0
394.14349	0.3
394.19244	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	393.188
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
55.01877	0.3
55.05484	0.3
65.20396	0.2
67.05487	0.3
70.10865	0.2
70.20995	1.0
81.07038	0.6
93.07012	0.4
96.66557	0.3
99.18967	0.2
105.07025	0.4
109.10166	0.3
123.08008	0.5
124.57435	0.3
134.99585	0.3
135.07994	0.3
137.05949	0.3
153.01830	1.3
172.25375	0.2
173.13202	0.3
185.38864	0.2
203.05278	2.7
213.12550	0.7
213.18475	0.4
231.13550	0.4
291.09863	0.8
331.07544	0.3
393.18796	100.0
394.19141	6.0
400.25226	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	393.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.3
57.03432	0.2
57.05810	0.3
61.02929	0.4
69.03416	0.8
70.06588	1.1
70.84303	0.5
72.08150	100.0
73.08486	0.6
81.03402	0.3
84.50775	0.1
85.02908	2.1
91.03963	0.2
94.75150	0.2
97.02912	1.2
98.85346	0.2
109.02843	0.2
127.03893	0.3
131.29335	0.2
145.04881	0.2
231.17020	42.7
232.17328	0.7
247.04196	0.2
375.21194	0.5
390.66284	0.2
393.22284	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.3
55.01867	0.4
56.05048	0.5
56.96562	0.5
57.03435	0.5
57.05821	0.3
57.70048	0.2
58.06601	0.4
58.73065	0.2
61.02910	0.5
69.03424	1.1
70.06591	1.8
70.12025	0.2
70.25621	0.8
71.68365	0.2
72.08151	100.0
73.02922	0.4
73.08505	1.0
74.06074	0.7
79.01876	0.2
81.03414	0.8
85.02908	2.8
87.04482	0.3
91.03963	0.2
97.02890	1.2
98.09692	0.2
98.97599	0.5
99.04459	0.4
109.02914	0.5
116.98650	0.3
119.01904	0.7
119.30194	0.2
127.02504	0.2
127.03903	0.7
131.01886	0.3
133.03526	0.2
134.99713	0.3
137.05971	0.3
143.03395	0.2
145.03444	0.6
153.01817	2.5
155.01901	0.3
157.03450	0.3
161.02942	0.5
167.06921	0.2
169.03459	0.3
173.02946	0.6
175.04501	0.4
185.02962	0.5
185.16481	0.8
200.04372	0.2
203.03932	0.3
213.15918	0.3
219.01819	0.5
221.05109	1.6
222.05545	0.2
228.55962	0.2
231.17023	27.0
232.11865	0.3
232.17339	0.6
237.02672	0.5
245.05075	1.2
259.06610	0.5
273.04581	0.3
279.09253	0.2
285.04428	1.0
294.05856	0.3
303.05664	0.5
315.09378	0.2
321.10107	0.3
333.10193	0.5
339.19141	0.8
351.07672	0.8
357.20227	0.4
361.74573	0.2
375.21204	4.4
393.07938	5.2
393.13455	1.7
393.22202	7.8
394.08356	0.4
394.22162	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68681	0.5
66.06448	0.5
69.03419	0.7
71.60382	1.2
72.08144	0.9
72.65540	0.6
81.07062	0.7
85.02888	1.0
88.96384	0.6
91.05452	1.2
99.04455	0.7
107.04958	5.2
114.15186	0.5
119.04928	1.3
120.08105	1.0
123.04441	1.0
130.29207	0.5
137.05965	1.0
139.03909	1.8
146.60857	0.6
147.04413	2.7
149.02365	1.0
151.03937	1.1
164.07878	0.7
170.56186	0.6
175.03929	1.2
177.05458	0.7
185.04184	2.3
189.34322	0.6
193.04956	1.1
195.10207	0.8
196.10483	1.6
203.03413	1.1
230.07860	1.7
231.02641	35.1
231.08211	1.8
233.09181	0.6
237.02600	0.7
245.04404	1.6
247.04271	2.1
249.03757	1.7
255.06456	1.4
267.06506	1.5
272.05212	0.9
281.07980	0.7
287.05457	6.5
299.05392	1.5
393.07892	100.0
394.08194	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	393.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
55.01866	0.5
55.05480	0.3
57.03434	7.4
59.04983	0.6
61.02931	2.9
62.51347	0.4
67.05513	0.7
69.03426	14.7
69.07051	0.9
69.29169	3.1
69.29568	0.8
69.97580	0.4
70.06572	0.5
71.01357	2.1
71.04996	3.3
73.02911	2.6
75.04496	2.2
81.03414	3.1
85.02879	1.3
87.04426	0.4
87.50985	0.3
91.05440	0.6
91.09974	0.3
94.57867	0.4
97.02865	0.6
99.04444	4.8
99.70961	0.3
107.04941	1.1
107.08570	0.7
109.10118	0.9
117.05492	1.1
121.10167	0.4
127.03931	0.4
127.11195	1.1
133.07614	0.8
133.10139	0.5
145.04889	0.5
146.06044	0.7
150.64017	0.4
157.07568	0.4
158.99780	0.4
160.08708	0.9
161.05922	0.5
161.07103	2.9
169.59908	0.4
173.05872	0.9
186.06625	1.3
188.08182	20.5
190.09741	1.1
195.10162	0.4
197.08101	0.7
206.09323	0.6
208.49294	0.4
214.06116	3.5
214.09770	0.4
216.07619	2.9
223.29733	0.4
232.07155	12.7
234.08789	3.0
241.07253	0.5
259.08258	64.6
260.06607	1.3
260.08890	0.6
283.12314	0.5
287.05527	0.9
299.05600	0.5
300.07919	0.4
312.13956	1.0
332.12332	0.6
375.12955	3.7
375.17950	0.7
393.13995	100.0
393.66632	0.5
394.14386	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	393.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62117	0.3
68.05022	1.4
70.06565	0.4
70.95370	0.8
72.08143	0.3
97.02888	0.7
107.04958	0.7
119.78428	0.3
124.05077	0.5
130.04999	0.5
137.05966	0.7
139.03842	0.5
140.03426	0.8
149.04575	0.6
166.07224	0.6
172.06044	0.8
188.09273	0.4
189.06543	0.3
197.08032	0.4
201.06409	1.5
202.07242	1.6
203.05293	0.4
203.08075	1.6
204.08812	6.4
214.07370	0.7
215.07991	1.9
216.08794	100.0
217.09486	3.7
218.10345	6.3
225.04218	0.5
225.06435	10.2
226.07207	3.5
227.07997	1.5
228.08801	0.8
229.09537	1.0
230.10382	9.5
231.10381	0.6
240.08791	58.0
241.09467	3.5
242.10266	0.5
244.11861	0.5
246.09860	7.3
255.10014	0.4
258.09860	2.7
268.08276	5.1
272.11438	4.8
283.09320	1.5
286.09323	0.4
300.10895	50.0
301.11096	1.3
311.08792	0.9
315.12057	1.0
333.09924	0.3
333.13065	3.0
343.11484	2.1
361.12518	6.1
375.14075	5.4
393.15070	34.8
394.15280	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
61.02918	1.9
69.03422	3.0
69.71951	0.8
70.23922	3.1
72.08134	1.0
73.02945	0.9
74.06066	1.6
74.26789	0.8
79.05469	3.8
81.03377	1.0
85.02901	9.7
91.05476	2.1
93.07048	1.0
95.04954	2.4
97.02886	2.5
98.21165	1.9
103.05468	5.1
105.07001	3.3
107.04947	41.0
107.08584	0.9
114.22718	0.7
115.05453	1.4
120.05677	1.4
120.06495	1.0
121.06486	0.8
123.04414	10.8
124.05185	1.4
127.03905	1.4
131.04910	1.4
131.08636	1.1
135.04382	1.7
135.08049	10.7
137.02373	0.8
137.06020	1.8
139.03859	2.5
145.04935	1.4
147.04364	2.7
149.02373	1.5
149.06042	1.3
151.03951	1.0
152.04604	0.8
154.06241	2.0
163.07532	28.8
164.07901	1.8
167.07031	86.0
168.07361	3.0
180.07660	1.1
180.08853	1.6
195.06468	3.1
195.10158	28.1
213.11201	100.0
214.11578	3.3
231.02625	0.9
245.04448	1.5
267.06711	1.0
273.07617	3.6
287.05402	2.0
392.13031	1.4
393.08105	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.8
57.03387	0.7
61.02927	1.4
63.77925	0.6
63.94565	0.6
69.03400	2.3
71.29964	1.7
75.44754	0.7
79.05480	2.5
85.02895	9.1
91.05462	1.0
94.94191	0.7
95.04945	1.0
97.02863	2.0
98.20969	1.1
103.05449	2.9
105.07014	3.1
107.04943	37.2
109.02849	1.1
115.05440	1.3
117.07032	1.0
120.05697	0.8
123.04401	1.9
124.05134	0.9
127.03889	1.5
131.04904	1.3
133.57085	0.7
135.08040	12.8
143.09267	0.7
145.04933	1.3
151.07549	1.5
152.04558	0.7
154.06213	1.3
163.07539	32.2
164.07832	0.9
167.07021	80.5
168.07330	2.1
180.07814	2.1
181.08630	0.9
187.94176	0.7
195.10155	33.5
196.10434	1.8
208.09630	0.7
213.11192	100.0
214.11536	3.1
226.25047	0.8
277.52863	0.6
357.57950	0.7
393.20947	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.5
57.03427	0.5
61.02923	1.1
69.03432	1.6
70.06590	1.7
71.04977	0.4
72.08152	100.0
73.02913	0.6
74.06087	0.6
81.03436	0.6
84.08178	0.5
85.02901	4.7
97.02895	1.7
98.97572	1.0
99.04429	0.7
101.00873	0.5
109.02838	0.5
116.98658	0.4
119.01920	1.5
124.12873	0.4
127.03916	1.4
131.01910	1.5
133.03467	0.7
135.71762	0.4
136.08855	0.4
143.01932	0.4
143.03467	0.5
145.03491	1.0
145.04935	0.9
147.01416	0.5
147.05057	0.4
153.01816	4.5
155.01883	1.2
157.03456	1.1
161.01158	0.4
161.02913	0.9
167.27139	0.4
171.05080	0.4
171.86842	0.4
173.02989	1.7
175.04488	1.1
185.02887	0.5
185.16415	0.8
187.04507	0.5
191.03984	0.7
197.02962	0.4
203.04057	0.9
213.16016	0.7
217.05603	0.5
221.05063	3.7
222.05510	0.6
231.05020	0.4
231.17026	31.5
233.77557	0.5
237.02766	0.7
245.04979	2.6
255.03960	0.4
259.06610	1.2
273.04520	0.4
285.04501	2.1
287.09943	0.4
294.06100	0.6
303.05688	1.8
312.08105	0.5
315.09244	0.5
321.06525	0.6
321.10248	1.2
333.06573	0.8
333.10257	1.1
339.11209	0.5
339.18893	0.4
351.07779	2.7
357.20227	1.0
375.21286	4.3
388.36633	0.4
393.07825	28.2
393.11743	1.7
393.22186	8.2
394.08261	1.4
405.95401	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.2
59.32157	0.2
67.05502	0.3
69.03408	0.5
69.07060	0.3
70.10091	0.4
70.10498	0.6
71.04979	0.2
79.05496	0.7
81.03412	0.3
81.07059	0.4
85.02893	1.5
91.05490	0.2
93.07029	0.3
97.02869	0.4
97.06525	0.3
107.04945	0.6
107.08587	4.9
109.10152	0.3
110.20280	0.2
120.04446	0.4
125.09645	0.9
127.03879	0.3
135.08049	1.7
145.04884	0.3
145.06523	0.3
149.02339	0.4
153.09122	0.9
163.07581	1.2
167.06915	0.3
172.07545	0.5
173.08345	1.8
174.09157	0.3
180.08717	0.2
181.08588	21.2
182.08975	0.2
184.07600	1.1
187.09904	0.7
188.10707	0.5
195.10146	0.5
195.13797	0.2
197.08327	0.3
198.09178	0.2
199.09651	1.8
200.07059	0.7
201.07851	0.5
202.08614	2.8
202.12222	0.6
212.10680	0.6
213.11209	1.5
214.08646	0.4
215.09447	1.8
216.26312	0.2
222.11259	0.5
228.10101	0.5
230.11746	100.0
231.12053	2.2
246.85686	0.2
392.17035	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2326
Annotation	Turpinionoside D
Peak:m/z	Relative Intensity
55.05518	4.4
57.03426	2.1
57.07070	2.0
63.44628	1.1
67.05497	6.0
69.03414	2.1
69.07072	6.4
71.04990	2.7
71.58892	1.6
79.05481	2.6
81.03371	1.5
81.07059	9.7
81.14307	1.1
83.08620	4.7
85.02898	3.9
85.04758	1.2
85.06540	2.4
91.05472	1.6
93.07055	5.1
95.08607	29.2
97.06557	1.8
98.97584	1.8
105.07078	2.9
107.08587	7.2
109.06560	1.7
109.10156	12.3
111.08112	1.9
113.02549	1.3
115.07598	1.5
119.08582	4.3
121.10172	3.7
123.04453	1.7
123.08115	1.7
123.11713	2.8
125.09652	3.3
133.10098	6.5
135.11693	6.9
135.17686	1.2
137.09657	4.8
139.11185	2.5
145.04938	1.5
149.02361	10.8
149.13272	3.1
151.11139	1.5
153.01863	1.7
161.06017	1.6
163.14825	7.3
173.13266	1.3
175.14809	9.2
177.00601	1.2
181.15918	12.3
191.14211	1.7
193.15897	13.3
211.16933	100.0
212.17242	2.6
219.01788	1.5
229.18045	6.4
373.22018	1.4
391.17651	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22526	0.5
55.05499	0.6
57.03425	0.7
57.07041	1.4
58.87260	0.4
59.28167	0.5
67.05484	0.9
69.03412	2.2
69.07056	1.2
69.41023	4.5
71.08607	1.6
79.05473	0.7
81.03404	1.1
81.07029	1.5
85.02901	4.0
91.05493	0.8
93.07018	1.0
95.08593	1.2
96.00308	0.5
97.02859	1.4
99.04448	0.5
103.03960	0.5
105.06997	1.2
107.04920	0.8
107.08578	1.3
109.02854	1.1
109.10130	1.3
116.38121	0.6
119.04922	0.5
119.08537	0.8
123.04395	1.6
125.09628	0.7
127.03882	1.7
133.06439	0.7
133.10062	0.6
135.08034	0.7
136.61894	0.5
137.05956	0.9
139.98380	0.5
145.05014	0.5
147.04478	0.7
149.02333	11.4
151.07549	1.0
153.01837	1.0
153.05562	0.5
159.09251	0.7
161.06017	0.9
167.03340	1.1
167.07042	0.9
169.12300	0.6
175.14847	1.1
176.15144	0.9
183.02866	0.8
185.04266	0.7
189.09270	0.4
193.15799	0.7
207.10046	0.5
211.16858	1.5
229.10414	0.7
229.17976	1.1
269.09946	30.1
270.10336	0.8
373.19983	0.9
391.13516	100.0
392.13867	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
53.14702	0.6
54.33138	0.7
55.01860	2.3
55.05500	1.0
69.03427	2.3
69.07069	1.1
70.03751	0.8
70.06583	1.3
71.59474	0.8
72.08148	1.3
76.84697	0.6
79.05483	4.5
81.07055	1.0
83.04955	1.4
85.02876	2.7
85.06519	0.8
86.06886	0.8
91.05462	3.2
93.07028	1.5
95.04963	1.2
95.08589	1.7
96.08930	1.9
97.02879	0.9
97.06528	0.7
99.08056	0.8
103.05466	5.2
105.03387	6.6
105.07024	50.2
106.07362	1.3
107.04943	1.5
107.08587	2.1
108.08933	1.7
109.10128	1.4
110.06040	0.7
111.08060	0.9
115.05447	9.7
118.04137	3.2
121.10161	1.5
122.10448	1.5
123.04436	3.4
123.08094	1.2
125.09608	6.3
126.09955	5.4
131.04878	1.9
131.79845	0.7
133.06485	51.5
134.06786	1.3
135.08028	1.2
139.03809	0.7
143.04926	1.5
143.06024	3.3
149.09604	8.3
150.09920	8.1
150.13641	1.1
151.11198	1.5
152.11464	1.4
153.09091	1.9
154.09413	1.1
158.86411	0.6
161.05971	100.0
162.06335	3.1
163.03854	0.8
163.07573	1.7
164.15166	1.2
167.07013	1.3
168.07339	0.7
179.06995	2.3
181.08571	1.1
181.16719	0.6
191.14311	2.6
192.14650	5.3
193.08597	77.3
194.08931	2.9
195.10149	1.9
197.08083	2.8
205.69537	0.6
209.15401	8.6
210.15703	16.4
228.16695	0.7
273.07480	1.0
390.11505	2.5
390.16391	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06956	1.4
54.57859	1.7
55.01861	3.1
61.02880	2.2
69.03416	3.1
69.89291	8.7
72.08138	2.3
73.83446	1.4
78.56758	1.3
79.05464	4.7
85.02905	8.0
91.05455	6.4
95.04980	2.5
97.02886	2.5
103.05451	6.4
105.07022	48.5
115.03841	1.4
115.05482	8.6
118.04158	4.0
118.15172	2.0
123.04408	8.0
123.75456	1.7
127.03864	2.8
129.84383	1.5
130.04135	1.6
131.04851	1.4
133.06488	52.4
137.05969	1.9
138.05499	29.2
139.03889	3.0
143.04910	1.6
143.06049	3.1
145.04984	1.9
147.04413	3.9
148.04671	1.8
151.03949	1.5
152.07025	1.9
153.59340	1.5
161.05974	100.0
162.06306	2.6
177.05577	2.1
180.08641	2.9
193.08601	73.4
211.09427	1.6
211.82481	1.7
228.12230	3.2
325.00983	1.7
373.94543	1.9
390.15109	9.0
396.81143	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48391	1.0
50.85073	0.9
53.03924	1.1
55.01863	4.5
61.02911	3.1
62.43209	0.9
69.03423	4.7
71.06825	2.2
71.07159	1.6
73.02877	1.2
79.05485	4.5
81.03403	2.2
81.36685	1.0
82.66196	0.9
85.02893	12.9
91.03937	1.2
91.05466	6.5
93.07042	1.1
95.04932	1.8
97.02886	3.7
103.05448	6.0
105.03390	1.5
105.07024	57.2
107.04958	2.5
109.02879	1.4
109.06540	1.8
114.62087	1.0
115.05440	10.5
118.04137	4.6
119.04949	6.4
121.06517	2.3
127.03902	2.4
131.04944	1.9
133.06482	58.0
134.03630	1.3
143.06035	4.4
145.04945	3.4
149.05981	3.1
151.07555	3.5
153.05472	1.9
161.05969	100.0
167.07059	3.8
168.07838	2.5
179.07047	1.9
180.08649	3.2
193.08592	95.4
194.09015	2.0
196.07324	2.5
209.15141	1.2
211.09650	16.9
227.92799	1.1
355.13736	1.0
391.97757	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03906	0.8
54.22805	0.8
55.01866	2.1
56.05038	0.8
57.03421	1.5
61.02926	1.1
69.03442	2.0
70.06567	1.2
71.04967	0.7
71.51709	1.7
72.08148	1.4
79.05474	4.8
81.03386	1.5
85.02901	8.2
91.05476	5.3
95.04951	1.8
97.02879	3.2
103.05479	5.6
105.07024	51.3
106.07346	1.1
107.04940	1.2
115.05439	10.6
118.04163	3.4
119.04921	1.3
123.04463	5.1
127.03905	1.9
129.89229	0.9
131.04912	2.6
133.06479	48.7
134.06819	1.2
138.05489	2.6
139.03896	1.3
143.04979	1.5
143.06042	3.4
144.31413	0.8
145.02924	1.5
145.04942	2.1
147.04378	4.8
149.05905	0.8
157.07626	1.2
161.05972	100.0
162.06326	2.2
163.03923	0.9
163.07462	1.0
165.09131	0.9
177.05450	3.7
180.08641	2.2
193.08588	72.8
194.08957	2.3
195.06564	0.9
211.09682	1.7
273.07455	1.2
390.17493	1.4
391.08267	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2166
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
53.03941	3.4
54.46239	3.0
55.01855	3.8
55.05494	13.4
56.96576	3.6
57.03426	9.3
61.02913	8.9
65.10624	3.6
67.05483	10.3
69.03421	17.0
69.07050	15.8
69.37841	24.6
69.38261	10.1
71.04988	24.9
79.05479	10.2
81.03395	11.0
81.07051	20.2
83.04966	10.9
83.08598	14.6
84.08134	7.0
85.02904	63.9
85.06520	15.0
86.09732	3.9
91.03921	4.1
91.05475	20.2
91.72281	3.3
93.07026	20.8
95.04959	46.1
95.08624	18.4
97.02883	19.5
97.06512	8.5
98.97578	6.8
99.03835	6.3
99.04445	86.1
99.08096	7.3
103.05482	3.7
105.03368	11.2
105.07038	21.9
107.04976	6.3
107.08586	30.9
109.06515	9.6
109.10155	19.7
113.06023	5.0
113.09625	4.3
119.04951	4.6
119.08580	8.1
121.06494	5.5
121.10157	27.0
123.04434	18.0
123.08062	25.5
123.11695	31.0
125.09617	26.0
127.03918	10.3
127.11228	3.5
129.07013	5.1
131.04906	11.8
131.08562	10.1
132.05688	6.4
133.10118	29.2
134.99590	6.0
135.08044	100.0
135.11674	6.8
137.05972	11.2
137.09550	5.5
145.04968	12.5
145.10077	5.7
146.99576	3.7
147.04401	9.1
147.11671	11.2
149.05977	30.1
149.09561	3.3
149.13223	13.7
151.07605	8.1
151.11180	23.3
153.05550	5.3
153.09108	29.0
161.05949	9.4
163.07521	4.5
163.11165	4.7
163.14845	5.0
164.04309	3.5
165.05472	15.8
165.12776	22.0
167.07016	11.3
167.10672	6.2
167.14278	5.4
169.12202	17.3
173.13232	15.1
174.06651	3.7
175.07524	3.4
175.11050	3.6
177.05400	8.3
179.06992	12.2
181.04898	9.8
183.06525	5.6
183.13751	23.8
191.14284	57.0
192.07814	3.8
207.06494	4.3
207.13753	5.0
209.13457	6.2
209.15340	99.0
210.15691	4.8
211.09596	6.4
219.10062	4.8
227.16386	91.7
285.07584	3.3
317.10281	11.1
318.15796	4.8
357.13248	16.1
371.15408	5.4
389.16440	11.2
389.21368	10.4
389.81152	4.6
390.17801	12.9
409.15085	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	390.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.5
53.00298	0.5
55.01882	0.4
55.05509	4.4
57.05794	0.4
67.05502	0.6
68.99775	2.0
69.03415	0.7
71.60294	0.8
72.08152	40.5
85.02885	1.2
90.47224	0.3
91.05486	1.1
93.07043	0.5
95.04967	0.9
97.02886	0.5
99.74192	0.4
104.01784	0.4
105.03387	1.1
105.07013	2.3
107.04977	0.5
109.06500	0.4
111.00811	3.5
111.04440	0.8
117.03392	0.7
117.07044	0.4
118.08648	15.9
119.04910	0.8
123.04423	100.0
124.04787	1.9
127.03881	0.8
129.03328	0.4
129.06995	0.8
130.01909	0.4
131.08597	0.4
133.06453	1.8
133.10112	0.5
135.04413	8.1
137.02377	0.4
138.05498	1.3
139.03897	18.6
145.06473	1.0
147.04401	13.0
147.08072	1.1
148.04947	0.6
149.06017	1.0
150.09151	0.4
151.03902	4.3
161.05998	3.9
163.03905	2.7
163.07545	3.1
165.05537	0.6
165.09131	1.4
167.07063	0.5
175.07550	0.5
177.05479	0.8
178.04996	0.5
189.05437	2.0
192.14656	0.8
193.08586	5.3
199.07495	0.6
205.08379	0.4
211.09642	2.4
222.11234	0.4
227.06944	1.0
228.09961	0.5
228.16890	0.4
245.04584	0.7
252.12321	1.9
255.06512	1.2
258.05151	0.4
272.36600	0.4
273.07559	61.0
274.07913	3.0
291.09058	0.5
296.43192	0.4
341.14136	0.7
390.15356	4.0
390.19339	0.4
391.09192	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2168
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
57.03429	5.5
63.28985	4.7
67.05486	6.5
69.03416	5.3
69.07077	9.5
70.84724	5.6
70.85051	9.6
71.04980	5.8
78.05695	4.2
79.05489	8.0
81.07055	16.8
82.48490	4.0
82.94133	4.2
83.04964	12.0
85.02911	21.6
85.06544	9.5
91.05482	8.4
92.85751	4.7
93.07037	19.6
95.08598	26.6
97.02907	5.3
97.06507	7.4
99.08067	22.1
105.07038	10.9
107.04954	7.3
107.08581	48.4
109.06492	10.8
109.10172	17.5
111.08067	5.6
119.08537	6.4
121.06503	17.0
121.10127	42.1
123.08059	23.4
125.09596	6.6
131.08549	11.9
133.10123	24.0
135.08058	17.1
135.11598	4.8
137.09584	6.5
147.08020	5.1
147.11690	10.1
149.09607	89.9
149.13234	23.7
151.11182	23.3
153.09109	8.4
157.81030	4.8
163.14821	39.9
173.12004	5.5
173.13185	24.6
191.14308	80.8
205.05087	4.9
209.15349	100.0
222.70576	5.1
227.16302	7.3
237.09502	5.2
389.14218	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	389.2168
Annotation	Ascleposide E
Peak:m/z	Relative Intensity
52.72306	1.3
55.01868	2.4
55.05494	2.1
57.03429	3.6
57.07063	1.5
59.04985	1.9
61.02914	1.5
67.05502	5.5
69.03429	9.2
69.07053	4.2
71.04988	28.8
71.05376	3.0
71.05698	2.5
74.43552	1.2
79.05475	2.9
81.03403	5.2
81.07050	8.4
83.08608	2.8
85.02901	18.0
85.06529	11.2
87.04495	1.7
91.05473	3.7
93.07026	8.5
95.04964	4.0
95.08633	6.9
96.94399	1.4
97.02872	5.8
97.06534	4.3
99.04450	100.0
99.08086	1.9
105.07020	5.9
107.08590	18.3
109.02877	2.0
109.06518	8.5
109.10147	9.3
111.08073	1.9
113.09631	4.8
119.08569	5.8
119.10572	1.5
120.73413	1.5
121.10123	9.0
123.04449	1.9
123.08070	12.8
123.11700	10.2
125.09610	6.3
127.03925	3.8
131.08585	2.9
133.10127	17.5
135.08092	1.8
135.11763	1.9
139.11169	4.5
141.09134	1.7
145.04951	3.1
145.10095	3.1
147.11702	8.1
149.09610	5.2
149.13264	8.7
151.11198	13.3
153.09128	3.1
163.11147	1.4
165.05463	4.9
165.12827	2.1
167.10681	2.5
169.12215	17.0
171.10036	1.4
173.13258	7.9
183.13792	24.9
191.14267	10.6
209.15387	22.2
227.16412	95.8
228.16719	3.0
360.72531	1.5
389.13898	2.2
389.21289	2.2
405.32599	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2167
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
55.05493	3.4
57.03427	4.1
57.07063	2.4
59.04992	2.5
67.05497	8.3
69.03416	5.5
69.07061	8.5
69.53378	1.3
70.08917	3.8
70.09312	2.9
71.04964	4.3
71.52521	1.3
79.05495	7.9
81.03397	1.4
81.07047	14.1
83.04973	8.4
83.08613	4.7
85.02903	10.9
85.06540	8.0
91.05455	7.0
93.07031	21.4
95.04942	5.4
95.08600	22.7
97.02864	2.2
97.06514	5.0
98.20754	1.8
99.04450	2.3
99.08087	15.7
101.25308	1.5
105.07034	8.1
107.04944	9.2
107.08585	42.9
109.06503	10.1
109.10144	13.6
111.04403	1.7
111.08043	5.1
112.00911	1.4
119.08595	6.9
121.06495	16.2
121.10132	33.2
123.08053	17.2
123.11679	4.3
125.05951	2.5
125.09628	5.3
131.08542	12.6
133.10117	16.8
135.08035	14.1
135.11690	5.2
137.09595	7.3
139.11177	3.5
145.04889	1.7
145.10065	2.5
147.11769	7.1
149.09608	53.4
149.13240	18.5
151.11172	19.9
153.09081	6.3
158.10817	2.6
160.88867	1.5
163.11145	2.1
163.14816	28.7
173.11938	2.3
173.13260	23.1
173.77122	1.3
184.33064	1.5
191.14297	66.7
192.14680	2.7
209.15350	100.0
210.15665	4.3
227.16397	3.5
231.66988	1.7
244.59599	1.6
368.59912	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2163
Annotation	Debiloside B
Peak:m/z	Relative Intensity
53.03928	1.0
55.01869	4.0
55.05505	18.9
56.96555	1.0
57.03431	1.3
58.09485	0.9
59.04990	1.1
61.02886	1.0
65.03944	1.4
65.66162	0.9
67.05489	3.6
69.03418	3.6
69.07063	2.4
71.04990	3.2
71.61864	1.9
74.91370	0.9
79.05479	3.2
81.03394	1.3
81.07050	3.9
83.04971	14.3
83.08607	13.8
85.02889	10.6
85.06554	1.4
87.04454	0.8
89.06007	1.4
90.01890	1.4
90.33865	1.0
91.05488	4.0
93.07031	4.2
95.04958	41.1
95.08594	4.0
97.02883	1.7
97.06537	2.9
97.10168	2.8
99.04436	8.0
103.05464	8.1
105.07024	3.9
107.04948	2.5
107.08583	6.6
109.06532	3.3
109.10148	11.2
111.08070	3.9
113.09673	1.0
117.07001	1.7
119.08556	3.2
121.06528	1.2
121.10133	3.6
123.04474	4.4
123.05177	1.0
123.08086	1.4
123.11671	4.1
125.05978	1.4
125.09600	4.5
125.13259	0.9
127.03884	1.4
127.11183	1.8
129.06956	1.3
131.04919	16.7
131.08606	1.8
133.06483	2.0
133.10098	5.4
135.08066	1.7
137.05927	5.3
137.09622	1.6
139.03911	2.3
139.11133	1.4
145.04973	1.3
145.06487	2.4
145.10065	1.3
147.04393	1.7
147.11670	2.7
149.05978	1.8
149.13240	2.5
151.03888	1.4
151.07581	1.5
151.11162	24.9
153.01741	0.8
153.09129	8.2
155.79890	1.0
161.05980	2.1
163.07498	5.7
165.05511	2.0
165.12750	1.3
167.07028	6.7
167.14301	25.1
169.12198	1.7
171.06462	1.0
173.13240	2.7
175.07529	8.7
177.05466	2.2
179.07034	2.4
181.04913	7.8
181.12283	0.9
183.06554	1.9
189.09099	3.0
191.06905	1.1
191.14320	4.5
193.08594	1.4
195.10202	1.9
199.08679	1.3
201.09097	1.6
205.08559	1.3
207.06494	4.2
209.08083	4.9
209.15344	100.0
210.15709	1.9
213.10191	2.1
213.62767	0.8
219.10104	7.2
221.07991	1.0
227.08221	1.3
227.11983	0.9
227.16391	10.6
241.09677	3.1
249.09044	1.7
255.11305	5.5
261.09009	2.3
267.10440	1.1
277.08563	3.2
283.10645	5.1
293.81174	0.9
309.11371	2.0
311.10129	3.2
329.11255	12.5
339.12286	3.2
341.13931	1.3
357.10684	8.3
359.14639	1.8
371.14917	6.2
375.11493	0.9
389.16565	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	389.2167
Annotation	Debiloside B
Peak:m/z	Relative Intensity
51.29237	1.4
55.05487	3.2
57.03422	2.5
60.12454	1.5
67.05492	7.2
69.03429	13.4
69.07058	9.9
69.55031	11.9
71.04716	1.2
71.04997	15.0
71.05339	2.5
71.71257	1.5
79.05497	7.7
81.03420	3.9
81.07041	8.2
83.04990	2.6
83.08598	5.1
85.02898	10.7
85.06532	6.8
88.24734	1.5
91.05464	3.0
93.07044	9.7
95.04966	3.2
95.08596	10.3
97.02879	5.4
97.06523	3.9
97.10137	4.2
98.21539	2.6
99.04455	36.6
99.08140	2.4
105.07038	6.0
107.08590	26.1
109.06517	3.8
109.10159	9.8
111.08038	4.6
113.09679	2.9
117.07043	1.7
119.08546	3.7
121.06487	4.0
121.10143	10.4
123.08052	7.9
123.11693	7.9
125.09625	9.6
131.08554	2.9
133.10104	8.8
135.08049	5.9
137.09576	2.4
139.11194	1.6
145.10106	2.4
147.11644	3.1
149.09605	4.9
149.13242	4.7
151.11172	7.7
153.09070	4.2
159.08020	2.9
161.09573	2.9
163.14752	8.6
165.12660	2.5
167.10741	1.8
169.12215	8.4
173.09689	1.8
173.13263	10.7
183.13782	11.0
191.14281	18.7
209.15355	28.4
227.16414	100.0
228.16762	6.2
261.61435	1.6
261.64658	1.5
311.16354	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	389.2168
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
55.01512	1.0
55.01850	1.0
55.05505	2.9
56.71177	1.1
67.05502	2.3
69.03426	10.9
69.07046	2.5
69.57571	2.7
69.57984	4.9
70.06568	3.2
71.04994	1.1
71.06932	1.6
79.05495	1.8
81.07040	3.0
83.04956	4.2
83.08596	3.3
85.02911	4.9
85.06541	1.4
91.05471	2.2
93.07019	4.0
95.04948	1.7
95.08597	7.4
97.02884	2.1
97.10163	4.5
98.20719	1.2
99.08070	4.3
105.03378	1.9
105.07016	7.5
107.08593	10.4
109.06527	2.5
109.10156	6.0
111.08061	3.8
113.06022	1.2
121.06484	1.6
121.10123	9.2
123.04414	1.7
123.08031	2.1
123.11659	2.4
125.05980	1.9
125.09627	43.1
125.10556	2.3
131.08498	2.1
133.06497	6.2
133.10126	3.7
135.08040	5.2
135.11659	1.9
137.09564	3.2
139.07538	1.9
139.11163	1.6
143.05984	1.0
147.11700	3.1
149.09610	52.7
149.13156	5.5
150.09940	2.3
151.11148	9.8
153.09096	12.9
154.09843	1.6
161.05956	14.6
163.13620	1.2
163.14764	6.1
165.12816	1.7
167.10680	1.8
171.67439	1.1
173.13213	5.2
177.05402	1.5
180.06409	1.2
187.72491	1.1
191.14285	26.3
192.14691	1.3
193.08583	11.1
197.08115	1.4
207.13843	1.6
209.15353	100.0
210.15663	4.7
212.49995	1.1
227.16405	8.2
389.17358	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	389.2166
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
55.01869	2.3
55.05511	5.2
57.03432	2.6
57.07055	1.9
58.73746	1.1
59.05006	2.2
67.05501	7.9
69.03423	5.3
69.07067	7.3
69.79547	9.0
71.04983	3.8
79.05479	6.0
81.03438	1.4
81.07044	17.0
83.04968	5.2
83.08612	3.5
85.02911	10.7
85.06551	7.7
91.05472	5.7
93.07034	21.0
95.04940	6.5
95.08591	22.6
95.09142	1.3
97.02908	2.6
97.06523	5.3
97.10155	1.3
98.21392	1.9
99.04455	3.9
99.08086	13.8
105.07014	9.5
107.04926	7.4
107.08583	42.7
109.06508	12.6
109.10136	15.2
111.08047	4.6
117.06981	2.1
119.08567	6.8
120.08994	1.3
121.06500	17.6
121.10129	31.1
122.10555	1.8
123.08069	16.8
123.11681	3.8
125.05969	3.1
125.09646	6.3
127.04013	1.2
131.08562	10.5
133.10120	17.6
135.08028	13.4
135.11679	4.0
137.06052	1.3
137.09598	7.2
139.11163	4.0
145.10094	3.6
147.11685	7.8
149.09605	57.5
149.13245	15.9
150.10001	1.4
150.13582	1.5
151.11172	19.4
153.09090	8.5
161.13240	2.1
163.14803	28.4
165.12743	1.2
173.13263	21.9
183.13766	1.4
191.14290	65.9
192.14680	3.0
206.35188	1.3
209.15349	100.0
210.15669	4.9
225.14809	1.5
227.16388	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2166
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
53.03951	2.9
54.22509	3.0
55.05505	8.3
57.03426	6.5
59.05010	3.4
67.05508	9.4
69.03428	11.5
69.07046	12.5
71.04984	7.2
71.59498	5.4
73.02917	4.0
75.35639	2.6
79.05482	10.7
81.03400	7.6
81.07048	16.7
83.04969	6.4
83.08597	7.2
85.02899	34.4
85.06529	3.6
86.09695	3.0
91.05460	14.5
93.07046	29.4
95.04955	78.7
95.08592	11.4
97.02911	5.6
97.06519	30.3
98.21097	3.0
99.04459	18.0
99.08073	5.6
105.07043	24.1
107.04932	4.7
107.08574	38.1
109.02844	4.5
109.06508	46.8
109.10175	13.5
111.08082	3.4
113.09608	2.8
113.76131	2.5
115.07558	35.7
119.04884	4.1
119.08588	13.8
121.06488	2.3
121.10132	75.5
123.04427	8.7
123.08063	9.8
125.09630	5.6
127.03902	3.8
127.07573	3.5
131.08557	12.6
131.80579	2.5
133.10121	51.5
134.44611	2.5
135.04395	3.0
135.08023	6.9
135.11668	6.4
139.11211	4.0
145.04987	3.6
145.10098	5.5
147.04393	5.6
147.11673	23.2
149.09662	4.5
149.13257	11.7
151.11212	7.7
152.66498	3.2
153.09093	36.2
158.10936	3.6
163.11143	3.6
163.14815	21.3
165.12776	4.5
167.07014	34.2
167.14359	4.5
168.07350	17.0
169.07570	16.9
170.32515	3.3
171.10280	3.7
173.13220	27.0
182.06303	3.3
187.26262	2.8
191.14301	51.4
192.06517	3.5
205.08641	7.2
209.15358	100.0
210.15671	3.8
227.09116	4.3
227.16351	53.2
228.06868	9.0
228.12270	5.5
269.08420	2.9
273.07748	3.8
276.09601	2.7
389.13965	3.1
389.17776	69.8
390.17688	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	389.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23830	5.6
55.01856	20.3
55.05501	17.9
57.03424	5.1
67.05492	18.2
69.03423	85.3
69.07053	17.8
69.67915	14.0
69.68329	25.0
71.04996	15.5
79.05482	29.0
81.03395	7.9
81.07050	30.4
83.04967	23.7
85.02890	26.8
91.05473	36.2
93.07037	25.9
95.04947	25.9
95.08617	32.3
97.02887	10.0
97.06522	9.0
99.04438	23.8
103.05444	10.7
105.07037	34.1
107.04927	13.0
107.08605	28.8
109.02854	7.0
109.06519	29.2
109.10141	16.4
115.03963	5.1
115.05434	9.6
117.06995	11.8
119.04900	11.9
119.08562	31.3
121.06479	19.7
121.10125	13.1
123.04414	70.2
123.08048	16.2
123.11723	10.0
125.05997	6.7
127.03881	7.0
128.06192	14.0
129.07019	17.3
130.07780	6.2
131.08562	18.4
133.06480	16.8
133.10120	30.0
135.08041	26.2
135.11668	8.1
137.05978	29.7
137.09697	6.1
139.03917	18.0
141.07027	10.4
142.07809	6.6
143.08556	24.0
145.03883	5.6
145.04907	6.8
145.06499	6.5
145.10117	15.3
147.04401	26.0
147.08014	17.1
147.11714	12.1
149.05829	11.1
149.09598	19.1
151.03902	25.6
151.07538	7.8
152.06171	8.5
153.01929	5.6
156.09302	12.5
157.06421	9.0
157.10149	26.4
159.08080	31.3
159.11673	13.0
161.05957	19.1
161.09627	24.9
163.07538	15.7
164.48798	6.7
165.05490	18.8
165.06963	13.0
165.09100	6.1
167.07062	21.9
167.08455	9.2
169.10136	9.1
171.08073	13.7
171.11664	15.0
172.08879	7.6
173.06029	11.7
173.09622	11.7
173.13356	7.7
175.07552	17.0
175.11217	9.7
177.05453	17.5
177.09076	11.6
179.07137	8.6
179.08574	14.4
181.04941	15.8
181.10103	19.3
182.10837	7.3
183.07991	12.1
183.11696	6.8
185.09616	25.0
185.13326	7.3
187.07571	12.8
187.11200	17.9
189.09126	34.0
189.12637	7.6
191.08578	7.8
191.17886	7.3
192.09323	9.2
193.08566	33.3
193.10172	17.3
195.07976	27.9
195.11691	31.2
196.08728	6.5
197.09604	17.8
197.13266	8.6
199.11160	18.6
201.09137	12.2
203.10648	18.0
204.11400	11.8
207.06456	9.3
207.11713	32.7
208.08827	11.0
208.12315	12.1
209.07912	12.2
209.09634	17.9
209.13345	8.3
209.15379	6.8
210.10359	38.5
211.07503	9.4
211.11115	15.3
213.09315	6.7
213.12721	60.4
214.13342	7.2
219.10199	18.5
221.09555	8.4
222.14012	6.0
223.11179	20.0
223.14864	11.7
224.11867	6.2
225.12714	100.0
227.10582	9.1
227.14258	8.6
227.16483	19.4
227.20088	9.0
228.10181	57.7
232.12492	8.6
235.11139	25.2
236.11996	12.8
237.12759	7.6
237.16284	7.0
238.09813	13.4
239.06937	8.0
243.13792	15.6
248.08389	10.8
250.13490	13.9
251.14294	15.7
253.12288	26.4
255.17326	8.0
257.15475	10.0
260.11823	9.5
263.10620	10.9
265.15884	33.7
267.13937	8.1
269.11633	12.1
269.15121	8.0
271.13272	9.1
278.12946	15.9
283.16895	79.0
293.15353	37.4
301.17996	12.9
311.16437	98.7
327.12222	10.6
329.17471	47.1
345.13269	20.6
371.14844	23.3
371.19031	6.6
389.15665	38.3
389.26453	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	389.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.9
55.01858	2.4
55.05499	5.3
57.03433	1.8
57.07056	2.1
57.67078	1.8
65.03931	2.5
65.49785	1.3
67.05489	8.2
69.03426	27.2
69.07063	5.2
71.04980	4.1
73.13622	1.5
73.78051	1.8
76.69516	1.4
79.05494	7.8
79.97413	1.5
81.07040	9.2
83.04977	25.1
83.08595	1.7
85.02887	6.1
85.06524	4.5
89.67708	1.4
90.34045	1.5
91.05470	8.5
93.07034	7.7
95.04953	7.9
95.08601	6.6
97.02853	1.9
97.06493	2.9
98.21544	2.3
99.04443	6.8
105.07028	15.1
107.04926	3.3
107.08569	8.4
109.02910	2.9
109.06509	5.0
109.10155	3.8
111.04447	2.1
117.06995	6.3
119.04906	1.9
119.08578	10.0
121.06498	5.7
121.10120	4.2
123.04397	5.8
123.08048	3.0
125.06036	1.8
125.09632	2.4
128.06221	4.8
129.06966	9.7
131.08539	7.1
133.06473	3.1
133.10126	4.8
135.08040	7.3
137.05957	5.0
137.09566	2.0
141.07005	4.2
142.07776	5.0
143.08553	9.3
145.06488	7.6
145.10118	4.9
147.08046	7.1
147.11607	3.2
149.09650	4.5
151.07506	2.9
153.06984	3.9
153.09067	3.3
155.07098	1.4
155.08525	10.5
156.09325	2.8
157.06502	6.0
157.10144	6.2
158.07253	2.1
159.08038	15.6
159.11658	2.8
161.05997	4.5
161.09686	8.1
163.07513	6.7
165.06973	7.0
165.09200	2.4
166.07777	3.1
167.07011	7.9
167.08554	5.7
168.09334	2.6
169.06546	2.4
169.10062	8.0
171.06726	2.2
171.08031	8.1
171.11702	5.7
172.08849	3.9
173.09587	9.3
173.13242	4.8
175.07559	6.2
175.11156	4.8
177.05296	1.8
178.07735	3.1
179.08551	7.0
180.09363	5.5
181.04950	18.5
181.06467	4.1
181.10043	11.2
182.07365	2.8
182.10898	4.3
183.06552	2.2
183.08025	3.6
183.11647	4.4
184.08827	2.7
185.06021	1.8
185.09590	14.0
186.10255	2.7
187.07547	3.9
187.11139	8.6
189.09106	10.0
189.12781	2.1
191.08626	2.7
191.14272	3.8
192.09341	4.6
193.08586	3.4
193.10121	11.6
194.10838	2.2
195.08035	12.2
195.11620	11.7
196.08804	4.6
197.09552	11.7
197.13188	4.0
198.10411	2.1
199.07440	3.1
199.11182	12.5
201.09091	4.2
201.12756	2.8
203.10657	3.7
205.10165	4.6
205.12071	2.0
206.10951	3.6
207.11664	8.1
208.08842	4.8
209.09602	14.7
209.13396	3.0
209.15347	9.5
210.10339	7.3
211.07640	2.1
211.11143	26.8
211.14719	1.8
212.08344	2.8
212.11792	2.5
213.09227	3.6
213.12759	7.7
217.10130	7.4
217.12082	3.1
219.08055	2.5
220.12393	2.2
221.09637	4.5
221.13301	5.2
222.10384	5.7
223.11139	24.5
223.14816	4.2
224.08257	3.5
224.11971	3.9
225.09163	5.3
225.12680	10.6
226.09808	4.3
227.08051	5.1
227.10649	9.9
227.14394	2.4
227.16415	7.5
229.12198	3.0
232.12369	3.9
233.09624	2.5
234.10298	2.3
235.11281	10.0
236.11847	3.4
237.09186	1.9
237.12566	4.5
237.16397	3.3
239.10634	9.1
239.14339	7.3
241.12216	10.5
241.15811	2.4
245.09544	3.1
245.11781	5.7
247.14790	9.3
248.08311	2.0
249.08968	3.1
249.12738	4.9
250.13535	7.3
251.10605	9.9
251.14371	10.1
252.11279	2.1
253.12212	4.3
253.15919	3.3
255.10103	4.4
255.17487	3.2
260.12051	7.3
263.10666	6.5
263.14346	2.1
264.11743	1.9
265.12750	2.8
265.15845	31.0
267.13739	30.4
269.11780	8.6
269.15338	7.1
275.14255	9.3
278.12976	6.3
281.15469	1.8
283.16901	22.0
287.12717	4.6
293.15286	45.7
311.16379	100.0
312.16559	3.1
329.17453	65.1
330.17886	2.9
353.17429	4.7
371.14868	6.8
389.15320	6.7
389.20154	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	389.1593
Annotation	Renealtin B
Peak:m/z	Relative Intensity
55.01855	4.5
55.05490	2.9
56.96569	1.3
57.03431	1.3
57.07065	1.6
67.05502	4.9
69.03401	1.0
69.07064	4.5
70.99997	2.2
71.04985	1.0
79.01828	1.8
79.05491	2.4
81.03394	3.0
81.07047	8.6
82.07380	3.0
83.04989	1.0
83.08609	2.5
85.02879	3.1
91.05479	5.9
93.07029	3.8
94.07348	1.3
95.04965	4.5
95.08601	6.0
97.02888	2.0
97.06537	5.1
98.97575	1.3
99.04437	1.0
99.08131	1.0
100.11295	1.1
103.05433	1.2
105.03370	1.3
105.07024	2.6
107.04939	2.1
107.08582	5.3
108.08923	2.4
109.02881	4.7
109.06488	2.0
109.10134	2.4
110.97502	1.2
111.08031	1.1
114.09160	1.0
116.98602	1.2
117.06966	1.1
119.04927	8.1
119.08565	1.5
121.02854	0.9
121.10104	4.4
122.10452	3.2
123.04420	100.0
123.08066	3.5
123.11701	19.9
124.04756	3.2
124.08398	1.6
124.12031	14.5
125.06021	1.1
127.03892	3.4
128.98663	1.9
131.04941	1.6
131.08533	1.8
132.08899	1.5
133.06430	0.9
133.10118	9.1
134.10452	7.6
135.04370	2.7
135.08035	1.7
135.11673	2.4
136.08363	2.1
137.02371	1.3
137.05933	3.1
137.09642	1.1
137.13258	3.2
139.03889	29.0
139.07483	1.2
143.03395	1.0
143.04893	3.7
145.10023	1.4
147.03217	1.6
147.04401	30.9
149.05972	2.8
149.13150	1.1
151.03891	45.3
151.07372	1.1
152.04205	1.3
153.01814	14.7
161.05972	10.9
163.03870	5.9
163.14906	1.9
164.15108	2.4
164.16467	1.3
165.01822	1.0
165.05470	23.4
165.06868	1.3
165.09111	1.6
167.06970	1.7
169.04994	4.7
169.06290	1.3
173.05969	15.9
173.13248	2.2
174.13652	4.7
175.03894	1.1
176.04662	3.6
177.05446	15.8
178.05785	1.0
179.06949	5.1
181.04950	3.7
181.08578	3.2
187.07607	1.5
189.05426	3.3
191.07030	5.3
191.14310	23.7
192.14629	49.3
193.04961	1.7
193.08595	51.4
194.08972	1.5
203.07117	0.9
203.10635	1.7
205.08607	3.5
207.06508	11.5
209.08063	1.0
209.15454	2.0
210.14944	0.9
217.08386	1.0
219.10146	16.6
226.98615	1.3
227.06924	1.2
227.16438	10.5
231.10240	1.3
233.04041	0.9
237.02879	1.6
237.11229	9.3
249.07680	1.6
249.11259	2.6
285.07608	3.4
291.08514	5.7
303.08572	7.5
311.08945	2.6
323.08841	1.1
325.14346	1.5
327.12140	4.9
329.10162	12.6
330.03610	0.9
345.06308	2.4
345.13297	27.5
353.13745	7.0
371.14880	17.3
372.15070	1.3
376.05649	1.2
389.15857	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	389.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	42.0
71.61787	11.7
81.07030	13.3
87.48195	8.0
91.05473	16.8
93.06997	9.4
95.04948	11.9
95.08610	18.3
105.07027	17.4
107.31628	8.2
109.06516	15.6
109.10142	8.7
117.07031	9.1
119.08589	18.8
121.06408	7.8
131.08546	19.2
147.08028	12.0
159.08052	34.3
161.09625	23.8
170.17879	8.5
171.11690	7.6
173.09579	23.9
185.09572	12.4
189.16438	9.2
197.09575	9.6
210.89146	8.0
213.00987	7.5
216.20050	8.6
225.12717	13.2
233.13232	8.9
235.11212	11.2
235.76187	8.9
236.11928	8.7
240.65717	7.7
260.66959	8.2
263.10434	9.7
283.16965	19.4
293.15482	12.4
311.16360	100.0
329.17487	20.1
341.82324	8.5
408.60406	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	389.1594
Annotation	Renealtin A
Peak:m/z	Relative Intensity
50.56148	1.8
53.03941	3.1
55.01869	35.2
55.05489	2.4
55.66613	1.8
65.03934	11.1
67.05489	6.1
68.99812	1.7
69.07088	2.1
69.89074	7.3
69.89480	4.5
71.04980	3.1
78.04702	1.9
79.05489	6.3
81.03418	2.5
81.07053	3.1
82.04209	3.5
85.02898	8.4
91.05480	5.4
93.03371	1.9
93.07040	2.3
94.04161	1.9
95.04964	13.0
95.08578	3.4
97.02888	1.9
97.06541	7.2
98.20834	3.5
99.04453	3.9
101.34024	1.7
103.05460	13.2
105.07031	3.1
107.04984	9.7
107.08603	2.2
109.02845	3.7
109.05792	1.8
109.06535	1.8
110.03681	9.8
111.04470	5.0
115.05446	3.7
119.04938	8.6
119.08548	3.4
121.02845	4.5
121.06519	6.7
123.04423	100.0
125.02348	2.0
125.05988	6.3
127.03925	3.7
128.06226	3.1
129.07033	9.6
131.04915	19.0
133.06493	2.5
133.10127	2.1
135.04416	5.5
137.02322	2.3
137.05966	30.7
138.03116	4.2
139.03885	29.6
142.02594	3.1
143.04927	2.7
145.06491	4.4
147.04390	33.0
149.05974	11.6
151.03896	41.0
151.07521	3.0
153.05457	12.7
155.07059	3.6
157.06491	7.1
158.07201	3.2
160.05238	3.4
161.06009	11.4
163.03891	7.0
163.07570	7.2
164.15256	2.1
165.05475	17.1
167.07053	20.0
169.04976	3.2
171.06531	8.9
173.05936	16.5
174.06775	4.8
175.07523	20.1
176.04825	4.4
176.38948	2.0
177.05464	41.3
178.07849	2.1
179.07104	5.2
181.04944	92.7
181.08517	6.2
182.05312	2.7
183.06525	5.0
184.05301	2.1
187.07588	3.4
189.05464	3.0
189.09103	11.1
191.07040	7.6
193.08592	51.4
195.08141	2.3
195.10208	2.6
201.09050	2.4
202.07700	2.1
203.10912	2.5
205.08595	5.3
207.06529	11.0
209.08064	44.1
217.08617	5.6
219.08109	3.7
219.10127	43.3
223.04129	2.0
227.16283	3.5
234.06686	5.6
235.09677	2.7
237.09102	3.1
237.11183	10.3
239.06938	2.3
240.07864	4.6
248.08144	2.2
249.09128	5.1
249.11423	3.0
250.09822	2.7
251.07080	2.5
253.08617	10.4
253.12190	2.5
255.10030	3.1
261.09106	5.0
265.08536	4.5
266.09207	3.5
267.10098	2.5
268.07065	2.2
269.08057	2.4
270.08960	2.3
277.08560	10.6
278.09274	3.0
279.10242	3.2
281.08170	3.2
281.11621	4.6
283.09567	4.9
285.07657	3.5
289.08643	2.5
291.08853	3.8
293.11841	2.8
299.12863	4.7
303.08588	8.3
307.09705	2.2
308.10391	2.9
309.11258	7.0
311.09076	3.9
313.10718	9.4
313.14343	5.7
321.11227	3.0
327.12247	31.5
328.12762	2.6
329.10165	12.9
331.15399	3.2
339.12195	16.5
341.13828	11.7
345.13367	29.1
353.13834	8.2
359.14899	29.7
360.14984	2.5
371.14883	37.9
371.19485	2.1
372.15314	3.1
389.15936	72.8
389.25259	2.7
390.16327	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	389.1592
Annotation	Renealtin A
Peak:m/z	Relative Intensity
51.61885	2.1
52.86311	2.2
55.01875	27.7
55.05505	4.4
55.62013	2.2
57.03425	4.1
62.93947	2.1
65.03926	9.7
67.05497	10.0
68.06884	2.3
69.03417	3.6
69.07059	3.9
70.15130	11.1
71.04995	4.9
79.05489	8.1
81.07038	10.1
83.08610	2.4
85.02885	7.9
91.05473	9.1
93.07043	10.0
94.04189	2.5
95.04958	11.1
95.08608	6.4
97.06533	9.5
99.04461	7.9
103.05457	10.8
105.07024	9.4
105.68512	2.3
107.04943	7.2
107.08588	11.8
108.08944	5.4
109.02872	3.1
109.06529	2.3
109.10132	7.9
110.03647	7.1
111.04421	10.7
115.05440	2.8
119.04944	9.3
119.08582	6.7
121.02865	7.4
121.06474	5.2
121.10153	11.4
121.37190	2.4
122.10471	5.8
123.04422	100.0
123.11676	5.1
125.05989	7.9
129.06996	9.3
131.04930	18.0
131.08562	7.0
132.05571	2.5
132.08936	3.9
133.06482	3.9
133.10127	25.8
134.10463	18.4
135.04370	3.3
135.08107	3.7
137.05975	26.6
139.03899	29.8
141.05438	2.7
143.04935	4.2
145.06535	5.0
145.10133	2.4
147.04404	33.0
147.11708	3.5
149.05965	10.9
149.09537	2.8
149.13245	2.5
151.03883	44.2
153.05426	13.8
157.06529	6.0
159.08003	2.9
160.05226	2.7
161.05940	11.2
161.09666	3.0
163.03922	6.8
163.07532	5.9
163.14789	10.0
164.15173	9.9
165.05504	20.6
165.06903	4.1
167.07069	20.8
169.05020	3.6
171.06505	8.3
173.06009	16.2
173.13301	5.7
174.06776	4.4
174.13586	12.1
175.07533	17.8
177.05467	40.2
179.07037	5.8
181.04950	64.6
181.06522	4.6
181.08586	4.5
183.06534	8.4
188.08444	2.8
189.05499	4.0
189.09081	8.9
191.07033	7.6
191.14299	19.7
192.14656	34.6
193.08598	55.0
194.08971	3.3
195.99596	2.8
205.08575	9.0
207.06567	13.3
209.06055	4.1
209.08043	36.9
209.15343	3.3
217.08549	5.1
218.07361	3.5
219.10147	48.4
220.10670	3.0
223.07587	3.7
225.09126	4.7
227.07053	2.9
227.10680	2.8
227.16408	7.9
234.06606	2.7
237.11224	6.6
238.06316	3.0
238.09636	3.1
240.07793	6.0
249.09219	4.8
253.08643	11.2
253.12154	3.1
255.06627	2.5
255.10039	3.7
261.09106	4.6
265.08640	4.2
266.09381	3.1
268.07269	3.9
269.08148	2.5
277.08432	6.8
278.09366	2.7
281.11664	6.0
283.09650	5.1
284.10498	2.6
291.08710	4.8
299.12695	6.3
303.08636	8.4
309.11334	5.8
311.09128	4.3
313.10648	12.7
313.14252	5.7
315.08624	2.8
327.12259	31.8
329.10150	14.5
331.15399	3.6
339.12231	9.9
341.13843	11.5
345.13254	29.2
353.13840	5.7
359.14828	32.1
371.10471	4.4
371.14838	32.4
389.15836	63.9
390.16055	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02732	1.4
55.01863	3.3
55.05487	1.6
57.03434	3.0
65.03928	2.9
67.05515	1.4
69.03441	3.6
70.06586	6.0
70.18693	2.2
70.19090	4.8
71.04986	3.0
73.02910	17.0
79.05479	3.6
81.03419	2.8
81.07064	4.1
83.04983	3.3
83.08584	2.6
85.02898	11.1
85.06573	1.8
91.05476	4.2
93.07050	3.0
95.04958	6.9
95.08608	2.7
97.02902	4.0
97.06534	5.8
98.20816	1.7
99.08038	2.0
102.98238	1.5
105.07037	6.2
107.04975	2.3
107.08594	5.6
109.06494	7.4
109.10151	5.3
111.08083	1.6
119.08584	3.0
121.10148	2.8
123.04429	10.0
123.11674	1.8
125.06033	2.1
125.09653	1.5
127.03930	3.1
131.08562	2.8
133.06482	6.8
133.10143	11.9
137.05960	2.0
140.04684	20.3
143.24185	1.6
145.04892	1.7
147.04433	5.7
147.08044	1.7
147.11693	4.9
153.09126	6.1
155.07021	40.4
159.08070	1.9
161.05978	8.8
163.03899	2.1
167.07045	3.6
171.06517	2.5
173.08144	2.4
173.13263	4.0
177.09236	1.6
178.05785	2.0
181.04950	48.6
187.07486	1.8
187.11163	2.7
191.10858	1.5
191.14357	6.4
193.08600	7.4
205.08514	3.0
209.08073	7.6
209.15376	17.5
214.35104	1.6
223.11443	1.5
227.09129	78.2
227.12576	3.0
227.16341	9.6
274.87289	1.6
389.17758	100.0
390.18057	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	388.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85831	0.8
57.07067	1.8
61.02926	1.0
64.91772	0.7
65.03924	0.8
67.05487	4.8
68.02846	0.7
69.03423	2.0
69.07067	2.3
70.74300	1.8
70.74660	1.6
71.04994	4.9
78.69923	0.8
79.05495	2.6
81.03412	1.0
81.07048	3.1
83.04965	0.8
85.02896	6.2
85.06544	1.7
91.05471	10.8
93.07046	4.6
95.04419	0.8
95.04932	4.4
95.08592	4.1
95.42230	0.7
97.02872	2.0
97.06542	1.4
99.04476	0.8
105.07017	5.9
107.08607	7.7
109.06512	100.0
109.10153	22.7
110.06809	1.8
110.10465	1.7
111.08045	1.5
117.07009	1.2
119.08582	1.8
121.10084	4.3
123.04482	0.9
123.08051	8.7
127.03849	1.2
131.08549	10.2
133.10127	9.2
135.08046	38.6
136.08450	1.2
137.05954	1.1
139.03893	2.4
139.11304	0.9
140.04202	1.3
145.10132	1.9
147.11705	2.8
149.09610	2.5
149.13257	1.3
150.10443	1.1
153.01825	1.0
153.09129	4.8
158.10970	2.3
167.07047	1.0
173.13266	16.2
177.05513	1.3
191.07011	2.3
191.14297	66.9
192.14690	2.1
209.15353	76.4
210.15752	3.1
323.09174	0.8
394.22986	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0861
Annotation	3,5-Dihydroxy-6,7,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
55.01855	1.6
55.28410	0.4
65.03934	0.8
66.79818	0.5
67.05473	0.5
69.03426	0.8
69.07053	0.8
70.79612	0.5
70.79960	1.5
71.08577	0.5
75.75032	0.5
78.27799	0.5
79.05471	0.6
81.07045	1.4
81.46084	0.4
93.07033	1.1
93.40012	0.5
95.04981	0.7
95.08588	1.6
103.05440	0.8
105.07011	1.4
107.04932	0.9
107.08553	0.7
109.10136	0.9
115.05421	0.9
117.06966	0.7
119.08557	0.9
120.66830	0.5
121.10108	0.6
123.11757	0.6
131.04915	1.0
137.05934	1.8
143.75995	0.5
145.10088	0.7
151.03955	0.5
157.06512	0.7
158.03566	0.8
161.05998	0.8
162.41100	0.5
167.06987	1.5
175.07434	0.7
177.05466	1.6
181.04976	3.9
185.06013	0.7
186.03175	0.8
189.09151	0.9
203.03337	1.1
204.04140	1.2
209.08102	2.5
213.05534	1.3
214.02586	0.9
219.10234	0.7
227.03329	0.9
229.04898	1.0
231.02792	0.6
232.03633	1.0
241.04897	0.7
242.02036	1.5
249.03995	1.0
255.03003	1.2
256.03543	0.5
257.04419	2.4
259.02448	0.5
260.03119	1.0
267.02753	0.7
269.04449	0.9
270.01602	2.0
275.05457	5.4
277.08533	0.8
282.01608	0.6
283.02390	1.5
285.03922	3.1
287.02112	1.1
288.02603	3.8
294.27145	0.6
297.03909	1.0
298.01007	1.0
299.01990	0.7
300.02628	1.7
300.99786	1.7
301.03207	1.0
303.05035	0.9
313.03369	17.2
314.03995	1.0
315.01303	0.8
315.04904	0.7
316.02075	4.3
326.00632	0.5
326.04318	1.4
327.05017	1.4
328.02240	0.7
328.05737	0.7
328.99173	1.2
329.02863	1.0
329.06451	0.8
329.79816	0.5
330.03766	0.7
331.04440	22.1
332.04987	0.9
339.12466	0.8
341.02820	3.3
343.04541	1.6
344.01596	5.5
345.02127	0.6
345.05823	1.0
356.05161	7.4
359.03946	56.6
360.04276	2.7
374.06311	37.0
375.06689	1.6
389.08646	100.0
390.09009	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	388.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97183	0.4
52.36103	0.4
52.72797	0.3
55.01868	1.0
55.05500	1.0
57.07058	1.7
59.89088	0.4
67.05486	1.6
68.89432	0.4
69.03423	0.6
69.07066	3.9
71.04967	0.8
71.11816	0.8
79.05471	1.8
81.03438	0.4
81.07058	8.8
83.04979	0.4
83.08606	1.4
85.02887	1.4
85.06526	1.6
89.84170	0.4
91.05467	1.8
93.07040	4.6
95.04967	1.0
95.08604	3.0
97.02912	0.7
97.06528	2.5
105.07025	2.4
107.04929	0.7
107.08586	6.6
109.02878	0.8
109.06528	1.9
109.10126	3.5
119.04951	1.1
119.08544	1.5
121.06490	0.8
121.10142	9.0
123.04427	10.1
123.08055	4.1
123.11699	38.2
124.12038	1.0
127.03889	0.5
131.08539	3.5
133.10123	15.9
135.08041	5.5
135.11679	2.8
135.22713	0.4
137.05919	0.5
137.09595	1.0
139.03889	4.1
143.08627	0.5
145.10114	0.8
147.04405	3.1
147.11662	0.7
149.05942	0.5
149.09584	0.8
149.13240	1.2
151.03883	4.3
158.10889	0.8
161.05925	1.0
163.03909	0.8
163.14832	4.5
165.05434	2.6
173.06036	2.3
173.13240	8.9
174.13609	0.6
176.04726	0.5
177.05409	1.9
179.07066	0.5
181.08711	0.4
189.05431	0.5
191.14294	100.0
192.14616	3.7
193.08571	6.1
205.08527	0.8
207.06570	1.2
209.15356	1.3
219.10216	2.2
227.16438	0.6
237.11246	1.2
259.77728	0.4
291.08585	0.9
303.08713	0.7
309.13843	0.5
327.12213	0.4
329.10104	1.8
329.31454	0.4
345.13452	3.2
353.13513	0.6
353.19650	1.0
371.14835	1.9
383.27179	0.4
389.16010	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	388.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.7
56.05021	1.4
56.64336	0.5
69.03419	1.2
69.07078	0.7
70.06575	1.0
71.58082	0.6
71.58444	0.6
74.22552	0.6
84.35810	0.5
85.02890	1.8
86.09679	0.6
87.04438	0.5
91.05478	10.5
97.02890	1.9
100.96246	0.6
106.02900	0.5
107.04941	0.7
108.67856	0.5
116.98647	0.5
119.04937	22.9
123.04398	2.5
124.03958	1.0
127.03911	1.0
133.10126	0.6
139.03853	0.6
143.79222	0.7
145.04898	0.6
147.04402	100.0
148.04735	1.5
153.01813	2.3
154.02197	0.7
165.05524	1.0
165.68660	0.6
167.07033	5.2
168.07376	5.3
177.05492	2.4
178.22034	0.6
208.09686	1.3
208.14029	0.7
209.04384	2.6
209.08124	0.7
216.57983	0.5
220.09630	1.5
226.10722	0.9
226.14534	0.9
235.02379	0.7
236.02654	0.9
268.08371	0.5
283.09421	0.6
354.72684	0.6
388.16830	3.9
389.17822	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50373	0.7
53.03946	5.7
55.01865	8.7
56.57431	0.8
57.03434	4.5
61.02925	5.5
68.99781	1.8
69.03423	30.9
69.68439	6.0
71.04999	4.1
73.02912	5.1
81.03413	20.7
83.01344	1.5
85.02899	100.0
86.03239	1.3
87.00826	35.5
87.04475	1.2
91.03951	2.0
92.49586	0.9
95.04959	1.2
97.02888	28.1
98.20738	1.1
99.04448	12.3
103.03924	1.2
105.01859	72.4
105.07021	10.0
107.08526	1.0
108.04462	3.2
109.02871	26.6
110.03246	1.0
117.01831	3.1
126.05530	1.5
127.03911	73.5
128.04274	0.8
129.01837	2.4
133.10147	2.0
145.04951	34.6
147.02896	2.0
147.08052	1.0
159.02872	16.3
160.79205	0.7
177.04010	1.6
179.10806	1.2
189.04005	4.6
207.13876	0.8
210.90808	0.9
213.03984	3.9
213.09062	2.0
230.06578	1.6
231.04982	26.0
231.10078	1.9
238.49445	0.8
248.07666	2.0
249.06075	10.8
250.15044	1.0
271.71716	0.9
335.11234	1.3
355.26273	0.9
358.49982	0.9
388.11276	0.9
388.16013	3.5
388.20511	1.9
393.77850	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2011
Annotation	Apocynoside I
Peak:m/z	Relative Intensity
51.34928	2.8
51.63196	3.1
51.88396	2.6
52.30021	2.6
53.03935	3.6
55.01868	6.9
55.05502	9.0
57.03430	7.2
57.07069	2.8
60.79898	2.7
61.02916	4.9
67.05494	4.3
67.18458	2.6
68.99787	3.6
69.03423	15.7
69.07046	9.3
70.06589	84.2
71.01356	3.9
71.04967	4.7
71.06937	20.7
71.59999	4.3
73.02928	3.5
79.05480	8.5
81.03403	11.9
81.07053	12.7
83.04964	7.6
85.02905	47.8
85.06516	5.0
91.05466	12.9
93.07034	12.0
95.04956	7.2
95.08603	19.4
97.02882	15.9
97.06555	4.3
97.10163	3.5
99.04453	2.9
99.08092	20.9
101.02370	3.5
105.07014	21.4
107.04938	7.7
107.08605	17.0
109.02876	9.8
109.06507	6.7
109.10152	15.9
111.04438	5.4
111.08046	3.4
112.04015	2.6
113.09633	6.9
117.06973	5.8
119.04919	8.0
119.08561	25.0
120.07993	3.1
121.01987	3.3
121.06521	6.9
121.10142	27.7
123.04412	31.5
123.08039	10.8
123.11700	25.1
125.02354	9.4
125.05979	5.5
125.09641	5.0
127.03878	8.5
131.08554	4.5
133.02896	3.8
133.06471	6.1
133.10173	18.0
133.11032	3.9
135.04462	4.2
135.08023	9.7
135.11705	7.4
137.02365	4.0
137.06021	6.9
137.09612	8.2
137.13234	4.6
139.03885	18.8
139.07545	3.3
145.04955	5.9
145.06537	4.6
145.10115	5.8
147.04405	19.9
147.08049	8.4
147.11668	12.2
148.04703	3.8
149.05911	6.2
149.09599	14.9
150.06311	3.7
151.03886	7.7
151.07538	8.0
153.12759	3.0
157.10071	3.7
159.08107	3.6
159.11713	3.7
161.05997	5.9
161.09578	4.2
161.13257	36.3
163.03862	5.5
163.07477	3.5
163.11150	5.6
163.14801	3.4
165.05492	8.1
165.09081	6.5
165.12674	4.1
167.07045	26.1
167.10646	4.8
171.11691	8.6
173.13263	4.1
175.11172	4.1
177.05469	40.0
177.09082	7.0
177.12767	3.8
178.05913	29.7
179.06969	6.3
179.14256	3.8
180.06493	3.2
181.04936	3.4
189.05414	3.6
189.09082	11.2
189.12743	71.2
190.02611	3.7
190.09851	3.3
190.13083	8.5
191.07022	5.2
191.10681	4.6
191.14299	9.1
193.08482	5.9
197.04414	3.9
201.12817	3.0
203.10547	4.0
203.14284	5.5
207.13774	55.8
208.06232	3.0
209.15359	5.5
217.08525	5.2
218.09615	3.1
221.15286	3.8
223.06004	16.8
224.06345	8.7
225.04085	5.8
225.06563	12.9
225.10951	4.1
225.14865	29.6
231.10240	7.6
231.13802	3.6
233.11708	4.2
234.50203	3.3
237.14902	14.6
245.15404	5.5
249.14827	3.8
257.10181	7.0
263.16428	14.8
267.15891	7.3
269.06570	3.6
273.14938	10.5
287.16388	2.7
291.15881	41.3
295.15408	4.4
313.16492	5.0
330.10489	12.4
333.16861	17.7
351.18018	28.7
352.10147	5.0
369.10272	3.8
369.15253	3.6
369.19058	100.0
387.12183	9.9
387.16187	89.3
387.20282	28.3
388.17105	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	387.2007
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01866	1.3
55.05494	4.7
57.03430	1.0
59.04984	1.5
65.03935	1.2
67.05168	1.6
67.05504	18.3
69.03410	4.4
69.07048	2.6
69.61021	1.1
70.06578	2.2
71.04986	1.7
71.60166	1.8
79.05487	5.5
81.03392	1.7
81.07053	13.7
83.04958	4.2
85.02898	6.3
91.05447	6.2
93.07030	5.7
95.04949	2.5
95.08588	8.4
97.02860	1.7
97.06491	1.9
103.05444	1.6
105.07020	12.1
107.04932	2.9
107.08586	8.6
109.06506	6.2
109.10149	100.0
110.10478	1.5
117.07039	1.2
119.04834	1.5
119.08575	9.0
121.06464	1.3
121.10142	6.8
122.03606	1.5
123.04407	4.3
123.08035	7.1
123.11704	7.2
125.09686	1.3
127.03917	1.2
131.04912	1.4
131.08516	1.6
133.06442	1.5
133.10129	8.0
134.99724	1.0
135.04362	2.2
135.08009	1.7
135.11668	2.9
137.05956	23.7
137.06931	1.8
137.09637	5.3
139.03900	7.0
143.04930	1.1
145.06487	1.5
145.10115	3.1
147.08020	3.0
147.11685	8.8
149.03860	1.2
149.09596	4.9
151.03908	2.3
151.07533	2.4
151.11179	12.7
153.01810	4.7
159.11685	2.0
161.09589	2.4
161.13232	6.8
163.03859	2.9
163.11153	4.2
165.05415	1.3
167.07021	12.4
171.11755	2.9
173.05983	3.1
175.07513	1.1
177.05452	3.9
177.12756	1.5
179.14337	6.3
181.04921	5.9
181.08589	1.2
181.12192	1.5
189.12724	10.9
191.07031	6.8
191.14305	3.1
193.08514	2.1
201.09100	1.0
205.08644	3.1
207.06416	1.3
207.13780	23.2
219.10194	2.1
225.14824	31.4
226.14940	1.2
226.18008	2.3
315.12051	1.5
325.10410	1.5
342.31235	1.1
357.13351	3.0
369.13287	2.5
387.14383	12.2
387.19803	4.6
388.14392	1.6
388.23068	1.5
394.57275	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2009
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.05502	1.6
57.03432	1.5
59.04986	1.0
61.02921	1.2
67.05489	1.8
69.03416	5.8
69.07069	1.2
70.06607	1.6
70.91658	2.2
70.92049	1.7
71.04974	1.2
79.05483	1.7
81.03419	2.1
81.07037	3.7
83.04977	6.2
85.02885	10.4
85.06553	2.5
91.05482	2.1
93.07047	3.6
95.08597	10.4
97.02885	4.0
105.07015	9.4
107.05042	1.3
107.08591	9.1
109.06509	2.1
109.10185	1.6
117.07036	0.9
119.08561	8.7
121.10120	6.2
123.08049	23.3
123.11697	3.5
127.03908	2.4
131.08600	1.5
133.06505	4.0
133.10118	3.9
135.11693	1.1
137.09607	2.2
143.08546	2.4
144.08974	1.1
145.04965	2.2
145.10135	3.8
147.08038	2.2
147.11673	6.9
149.09589	19.9
151.07523	13.8
151.08632	1.1
151.11212	1.5
156.09344	2.0
159.11674	1.6
161.09656	1.5
161.13205	11.8
161.14409	1.1
163.11142	2.6
165.09140	1.2
165.12767	8.3
171.11636	5.8
174.10426	3.4
179.14299	3.0
189.12718	43.6
190.13087	3.7
207.13776	100.0
208.14226	3.0
225.14825	42.8
326.15482	1.1
387.19781	1.2
406.80667	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.201
Annotation	(6R,9S)-Roseoside
Peak:m/z	Relative Intensity
55.05502	3.8
59.05001	5.9
63.33802	2.6
67.05496	3.9
70.06198	4.9
70.06590	100.0
70.14439	6.7
70.14848	7.1
71.06924	23.9
72.73107	2.2
78.03079	2.3
81.07070	3.6
83.23293	2.4
83.29636	2.3
85.02905	11.9
91.05479	6.1
93.07032	8.1
95.04961	3.8
95.08607	6.1
98.20863	3.9
98.21416	4.0
102.93452	2.6
105.07037	14.6
107.08604	24.9
109.06528	10.0
109.10126	6.0
119.08585	15.1
121.06528	3.1
121.10136	6.5
123.04444	11.8
123.08059	14.4
124.04751	4.8
133.10126	3.8
135.07994	5.0
135.11702	12.6
137.09604	63.5
141.69073	2.5
144.34055	2.7
147.04420	6.4
147.11676	8.9
148.04732	4.3
149.05948	5.0
149.09630	4.1
161.13257	11.2
165.05396	3.3
167.07054	3.2
171.11665	3.3
177.05447	36.4
177.12744	3.9
178.05809	28.3
189.12799	9.6
207.06856	3.0
207.13840	11.6
225.14850	10.2
235.11540	5.0
302.62375	3.3
330.10532	11.3
382.05496	3.0
387.10931	3.5
387.16257	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.201
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.05504	2.6
59.05000	10.0
61.43388	1.5
66.19978	1.7
66.45432	1.6
67.05503	4.4
69.03416	13.2
69.07055	6.1
69.69395	1.7
71.05466	3.5
79.05473	6.9
81.03408	4.1
81.07059	15.4
83.04974	6.8
83.89191	1.7
85.02899	31.7
87.04447	6.2
90.82160	1.7
91.05463	5.7
93.07047	26.4
93.12232	2.0
93.39164	1.8
95.04978	3.3
95.08588	11.9
97.02880	7.1
97.06502	3.6
99.04456	2.0
101.06011	9.0
105.07014	17.9
106.96268	1.8
107.04913	2.2
107.08586	39.6
109.06503	7.0
109.10131	6.5
111.08080	4.0
117.06921	1.9
119.08574	15.9
121.06423	2.3
121.10126	7.5
123.08106	9.7
123.11685	15.0
127.03876	4.3
129.07043	2.4
131.08539	3.1
133.06441	3.2
133.10117	4.0
135.11671	4.1
137.05923	3.9
137.09509	3.0
139.11156	3.2
141.09003	2.2
145.04944	4.7
145.10059	3.9
147.08003	4.8
147.11726	13.4
149.09602	5.9
150.00099	1.6
151.07480	4.2
151.11177	71.7
156.09352	1.9
159.11629	6.5
161.09677	2.9
161.13196	13.1
163.11160	9.9
165.09154	2.0
165.12767	2.3
171.11594	3.2
173.80769	1.7
174.10286	2.5
175.51355	2.0
177.12698	5.8
179.14224	3.4
181.12221	5.1
189.12752	16.6
191.14276	2.3
207.13800	100.0
208.14095	2.4
225.14841	96.2
226.15306	2.0
369.19083	2.5
377.46671	2.1
387.20004	7.2
397.32870	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2007
Annotation	Apocynoside I
Peak:m/z	Relative Intensity
67.05500	14.9
68.67472	2.2
69.03410	3.7
69.31303	26.9
70.06584	100.0
71.06912	21.8
79.05502	3.0
79.89561	2.2
81.07036	2.7
83.04965	2.2
85.02895	10.9
85.06518	11.1
93.06999	4.7
95.08597	77.6
97.02849	2.8
107.08561	7.1
109.06507	2.4
109.10118	3.7
113.05994	12.1
119.08582	14.2
121.06440	2.9
121.10129	7.5
123.04428	6.1
123.08041	27.3
123.11705	12.1
124.04768	3.0
127.03867	3.0
135.11665	11.5
137.63425	2.4
147.04378	3.8
147.11655	5.7
149.05902	3.6
149.09618	35.1
151.14853	3.8
161.13245	12.2
162.35609	2.4
163.11089	3.8
165.12787	8.2
171.11647	4.0
177.05435	35.8
178.05777	26.5
179.14331	4.8
189.12708	18.8
207.13777	91.9
208.14125	4.6
220.57521	3.4
225.14799	3.0
235.11435	3.8
330.10422	15.6
351.17987	6.0
387.16254	98.1
388.16571	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	387.2011
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03937	3.6
53.07178	1.7
55.01844	2.2
55.05484	2.6
57.03436	3.6
57.07068	1.7
60.09136	1.7
61.02921	4.5
61.14619	1.8
67.05498	6.1
69.03427	27.9
69.07059	5.3
70.00173	10.2
70.06586	5.2
71.04989	3.8
73.02917	1.9
79.05479	4.2
81.03410	9.7
81.07066	12.3
85.02903	100.0
87.04496	1.9
91.04956	1.8
91.05492	6.8
93.07043	6.3
94.15263	1.9
95.04957	2.9
95.08604	30.9
97.02893	10.8
99.04440	5.1
105.07031	14.4
107.08608	6.7
109.02907	5.1
109.06512	4.4
109.10145	15.6
112.91100	2.2
119.08583	23.4
121.06465	2.4
121.10153	9.5
123.08065	7.8
123.10809	3.4
123.11707	55.7
125.05991	44.5
127.03912	13.3
131.08589	3.1
133.06488	2.0
133.10143	9.7
135.11697	25.4
137.09618	8.2
137.13242	2.6
139.07538	9.3
143.08534	2.3
145.04979	4.2
145.10132	5.0
147.08043	6.5
147.11691	21.3
149.09613	20.7
151.07552	11.3
156.09344	2.1
159.07982	2.2
161.09621	2.1
161.13263	37.6
162.13680	1.9
163.11176	2.8
165.12750	2.5
167.07112	2.1
171.11731	3.0
174.10437	6.2
179.14330	6.0
189.12750	41.8
207.13802	84.5
208.14137	2.4
225.14851	78.9
226.15201	4.1
333.16992	11.5
351.18091	19.6
369.19040	5.2
387.15857	3.1
387.20160	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	387.18
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73534	3.4
51.81295	3.3
53.03920	3.5
55.05516	5.5
55.86760	3.1
57.03426	5.5
62.88137	3.3
67.05501	7.6
69.03428	30.7
70.06590	100.0
70.44264	3.1
70.95116	8.9
71.04987	8.6
71.06931	22.1
79.05490	13.1
81.03430	3.9
81.07047	10.1
83.04959	15.4
85.02900	17.8
91.05468	15.2
92.77071	3.5
93.07035	11.4
95.04956	17.6
95.08598	8.7
97.02875	7.2
99.04451	22.8
105.07038	21.6
107.04965	6.6
107.08575	8.7
109.06508	12.9
109.10151	6.5
111.08096	4.1
117.06993	7.4
119.08575	12.3
120.08067	5.2
121.06523	11.3
121.10134	6.8
123.04469	18.0
123.08051	12.9
123.11752	4.7
124.04760	5.9
125.05989	3.9
127.03890	4.1
128.48540	4.1
129.07027	10.3
131.08562	9.8
133.06502	5.1
133.10138	7.4
135.08055	10.0
137.09619	10.3
141.06999	4.7
142.07744	6.2
143.08559	8.9
145.06461	7.2
145.10101	10.1
147.04385	9.0
147.08029	9.7
147.11667	8.8
149.09605	16.9
151.07539	9.6
155.08524	8.8
156.09399	5.3
157.10104	6.8
159.08038	17.8
161.09564	4.8
161.13312	3.6
163.11232	6.3
165.06984	12.5
167.07057	7.1
167.08484	8.2
169.10098	4.9
171.08015	8.2
171.11650	4.9
173.09610	14.2
174.10429	4.1
175.07550	4.2
177.05522	26.3
177.09048	8.6
178.05789	20.3
179.08522	9.0
180.09256	5.7
181.10081	5.7
183.08032	8.0
183.11681	6.5
185.09633	14.0
187.07559	4.4
187.11179	5.3
189.12698	8.5
191.08679	5.1
192.09369	5.7
193.10173	11.9
195.08101	8.4
195.11705	11.6
196.08818	7.2
197.09595	11.8
197.13266	5.4
199.11185	5.3
200.12065	3.8
201.09091	7.1
203.10683	8.5
205.10139	9.0
206.10800	5.7
207.11752	8.0
207.13855	11.3
208.08853	6.3
209.09624	16.3
209.13229	4.1
210.10378	6.5
211.11127	14.8
220.12361	8.4
221.09573	8.9
221.13187	4.6
222.10388	6.6
223.11137	24.3
224.11890	7.7
225.09160	5.2
225.12741	11.1
225.14819	57.4
227.10582	5.8
230.10991	5.5
233.09608	11.9
234.10283	6.7
235.11162	10.7
235.14726	4.1
236.12122	6.1
239.10680	8.1
241.12323	9.0
247.11142	5.9
248.11922	14.7
249.12685	8.7
251.10631	5.3
251.14293	4.9
253.12097	9.0
253.15791	10.8
261.09253	5.7
261.12613	5.2
263.14273	17.1
266.13025	4.5
267.13788	11.1
269.11755	7.2
273.12653	4.3
276.11444	7.9
279.13577	4.5
281.15356	21.6
291.13727	19.1
294.12845	4.7
299.16251	7.2
309.14807	44.0
311.12747	5.1
322.84247	3.9
327.15863	58.1
330.10623	10.3
345.16971	7.1
369.17038	7.7
387.16022	52.0
388.17017	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	387.18
Annotation	Coetsoidin A
Peak:m/z	Relative Intensity
50.10473	8.9
55.05501	14.9
69.03410	32.8
69.45499	93.2
71.80852	10.8
81.07064	15.6
91.05442	13.0
93.07041	10.4
95.08608	29.5
97.25045	8.8
99.04459	23.1
105.07020	25.2
109.06528	13.6
119.08476	13.6
123.08130	14.5
123.11641	10.7
127.08778	9.2
130.65526	10.2
131.08591	15.3
142.07758	15.7
143.08440	12.5
145.10098	13.9
159.08020	35.8
159.11716	10.5
165.06950	17.1
169.10109	10.2
171.08104	13.2
172.78645	10.2
173.09644	16.4
179.08661	18.0
181.10068	10.1
185.09557	21.4
191.08690	13.5
193.10170	30.6
194.10925	13.9
195.11653	12.0
197.09608	20.6
199.11174	13.9
205.10162	18.1
206.10944	10.6
208.08900	12.2
209.09622	23.0
211.11160	28.9
223.11230	31.6
225.09169	11.9
225.12747	11.4
233.09641	27.7
241.12352	11.9
242.56313	12.3
248.11899	12.9
251.10587	23.7
251.14449	20.5
253.11995	11.4
263.14365	28.0
266.13022	11.8
267.13693	10.7
269.11536	48.1
276.11624	15.4
281.15353	29.6
291.13947	15.0
299.16476	10.8
309.14746	60.3
311.12579	15.9
327.15952	100.0
345.17017	17.3
365.92935	11.1
387.17975	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	387.1798
Annotation	Coetsoidin A
Peak:m/z	Relative Intensity
62.98742	12.9
69.03433	38.9
69.86642	79.5
71.27960	12.5
91.05477	30.9
95.08619	24.3
121.06474	17.9
130.21037	12.1
131.08537	23.2
135.08005	16.8
141.07068	13.8
157.13875	14.6
165.07011	22.9
171.08078	19.5
173.09705	14.4
179.08501	18.0
193.10106	33.2
195.08009	14.9
199.11192	16.6
205.10059	18.8
206.54492	16.4
208.08727	20.7
209.09589	26.8
211.11168	28.9
219.11876	15.5
221.09651	23.2
223.11162	46.2
225.09085	20.4
233.09630	18.7
235.14711	15.1
247.11078	16.0
248.12042	18.9
249.12643	19.9
251.10649	25.9
251.14304	38.4
263.14218	39.0
269.11703	37.7
281.15387	49.5
291.13788	31.4
309.14792	72.1
311.12958	20.6
327.15945	100.0
345.16885	27.9
387.17874	30.4
414.92465	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	387.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.6
54.36878	1.6
55.05499	2.9
56.96532	1.7
57.07071	1.8
61.76171	1.6
65.03932	2.7
65.42358	1.6
67.05493	5.6
69.03417	3.6
69.07060	2.4
70.73300	5.4
77.61919	1.5
78.75098	1.5
79.05486	5.4
81.07057	11.4
83.04964	2.2
85.02918	2.4
85.06535	2.3
91.05492	9.1
93.07043	6.5
94.04207	3.2
95.04967	4.6
95.08592	7.7
97.06504	1.8
97.10132	2.1
103.05471	4.6
105.07019	7.6
107.04935	9.2
107.08603	5.2
109.06477	3.3
109.10148	4.7
115.05453	3.2
117.07015	5.3
119.04951	1.8
119.08559	5.3
121.06487	5.0
121.10110	3.3
122.03648	6.5
123.04459	2.2
123.08011	2.1
125.05917	2.8
129.07030	3.4
131.04922	3.8
131.08560	3.4
133.06444	3.3
133.10152	3.0
135.04417	2.4
135.08078	2.5
135.11688	3.1
136.05196	4.1
137.05977	100.0
138.06435	2.7
143.04941	3.9
143.08568	2.4
145.06497	5.6
145.10143	4.0
147.04417	2.3
147.11722	2.5
149.05992	4.3
149.09627	3.0
151.03986	9.0
151.07530	35.8
152.07791	2.4
155.08508	1.8
157.06471	5.1
157.10179	1.9
158.07260	7.0
159.08163	1.7
159.11674	2.6
161.05957	3.1
163.07535	2.8
163.11240	2.0
165.05458	2.8
165.09024	2.1
167.07014	30.5
167.45010	1.6
173.06017	9.2
173.09628	6.5
174.06793	3.1
175.07545	2.4
175.14778	2.1
177.05482	2.6
177.09077	2.3
178.09467	1.7
179.07066	3.3
181.04961	28.8
181.08565	9.8
186.91833	2.0
188.08333	6.8
189.09055	7.9
191.07025	9.6
193.08514	3.3
201.09094	29.3
203.07089	2.6
203.10655	8.3
207.13828	1.8
224.08264	4.6
231.10124	13.2
233.11725	6.0
235.09480	2.0
241.08687	2.5
254.09322	2.0
255.10167	6.8
261.09088	4.2
268.10962	3.5
277.08704	3.2
277.11993	2.0
283.09698	4.7
284.10379	2.6
289.12289	2.6
293.11667	4.0
295.09677	2.6
298.08878	2.9
298.11963	21.1
299.12656	5.5
305.08441	2.7
305.11743	5.6
305.60123	1.7
308.14145	2.7
309.11151	3.1
311.12872	3.1
319.13345	3.4
320.14072	7.2
321.11337	2.4
324.13580	6.2
339.15982	7.1
351.12265	2.3
351.15936	20.1
357.13257	13.2
369.13141	2.0
369.17108	9.0
387.14240	38.0
387.25092	4.0
388.14578	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	387.1436
Annotation	(-)-5'-Demethylyatein
Peak:m/z	Relative Intensity
53.03943	1.5
55.01876	2.8
65.03932	1.0
67.05514	1.6
73.07500	0.9
78.04698	4.8
79.05489	7.6
81.07054	3.0
85.02889	1.4
89.03922	3.0
90.04672	1.0
91.05480	15.4
93.07043	1.8
95.04961	3.7
95.08607	2.1
98.20734	3.0
99.73590	0.9
102.09155	1.7
103.05464	21.3
104.06255	1.2
105.03392	7.4
105.07027	22.1
106.04170	41.0
107.04949	14.1
109.06519	3.7
111.04414	1.0
115.05446	9.2
117.03363	5.3
117.07035	1.1
118.04162	7.3
119.04984	4.9
119.08665	0.9
121.06514	17.1
122.26878	0.8
123.04413	12.7
125.06051	0.9
128.06218	1.6
129.07002	1.8
130.04190	1.4
131.04929	24.2
131.05922	1.4
132.05716	10.9
133.02823	1.0
133.06491	44.9
134.03673	2.5
135.04422	7.3
137.05972	16.0
139.03903	5.0
143.06039	1.6
145.06503	2.8
147.04422	7.8
148.05225	1.8
149.05977	70.9
151.03912	3.2
151.07501	2.5
153.01755	1.1
153.05408	1.2
159.04436	1.2
159.08058	2.9
160.05209	3.6
161.05974	36.3
162.06682	2.7
163.03915	13.7
163.07515	7.1
165.05432	8.0
167.07033	18.4
171.04338	1.5
173.05885	1.5
175.07568	3.2
176.04707	1.8
177.05463	100.0
178.05904	2.0
179.05486	1.1
179.07034	18.1
180.07805	6.9
181.04955	5.2
181.08601	2.6
183.06500	1.2
187.07565	2.7
189.05440	2.5
191.07005	16.8
191.08565	1.4
192.07800	19.0
193.04970	11.1
193.08682	5.3
195.06519	5.8
197.08064	2.0
203.07013	1.8
207.06532	19.8
207.13911	1.7
208.07216	1.1
209.08047	1.3
215.07010	12.5
217.08675	1.3
219.10178	2.3
225.07558	7.0
231.10257	1.2
233.08150	2.2
235.09639	2.5
247.09541	1.0
271.06061	1.2
273.07623	0.9
291.09930	1.0
327.08621	1.4
334.54614	0.9
337.10760	10.1
343.11716	1.5
346.06488	1.6
357.13364	4.0
369.13229	9.0
369.16949	0.9
387.14359	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	387.1283
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
53.03940	0.4
55.01871	0.2
55.05514	0.2
56.78779	0.2
56.96549	0.4
57.03429	0.3
58.68643	0.1
61.02922	0.3
67.05494	0.2
69.03415	0.9
69.50125	1.3
70.06558	0.2
71.04987	0.3
73.02916	0.2
75.04704	0.1
78.04697	1.3
79.05489	1.0
80.65959	0.2
81.03432	0.4
81.07043	0.5
83.04984	0.2
85.02898	2.0
86.46076	0.2
86.92831	0.1
91.05501	0.7
93.07037	0.8
95.01333	1.9
95.04971	0.7
95.08604	0.3
97.02865	0.7
97.06454	0.1
98.20813	0.3
98.97595	0.2
99.04438	0.5
103.05467	0.5
105.03377	0.2
105.07038	1.3
106.04180	0.7
107.04960	1.4
107.08600	0.3
109.02859	0.3
109.06520	0.4
109.10151	0.2
113.02418	0.2
115.05430	0.2
116.98647	0.2
119.04968	0.2
119.08558	0.3
121.06499	1.1
121.10091	0.2
122.03636	0.2
123.04429	4.2
123.08098	0.3
123.11723	0.3
124.05211	1.7
125.06027	0.2
127.03924	0.3
129.01845	0.2
131.04904	0.2
132.05586	0.2
133.06456	1.1
134.03642	0.3
135.04353	0.2
135.08060	0.2
137.05948	0.4
141.01810	0.7
145.04935	0.3
146.35478	0.1
147.04382	0.3
147.85454	0.2
149.05957	1.5
149.09581	0.3
151.03900	0.6
151.07529	0.7
152.04655	1.6
153.01825	0.5
155.06998	0.2
161.05948	1.0
162.09186	0.2
163.11150	0.3
166.06255	0.3
167.07030	100.0
168.07390	2.3
173.13226	0.2
177.03998	0.3
179.07053	0.4
181.04951	0.2
181.08594	1.5
181.12172	0.2
183.13821	0.3
189.12769	0.3
193.08591	4.0
207.13881	0.9
211.09647	3.8
223.09242	0.2
225.14822	0.7
326.13281	0.2
387.16281	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	387.107
Annotation	Cleomiscosin B
Peak:m/z	Relative Intensity
51.02377	0.7
53.03947	0.9
55.01872	0.8
55.30990	0.7
63.16632	0.7
65.03954	1.4
66.04739	1.7
67.70405	0.7
70.14261	3.7
78.04712	1.3
79.05488	1.5
89.03935	1.8
90.04715	1.3
91.05457	3.8
93.03442	1.1
93.07069	1.8
95.05000	1.3
97.06573	0.9
102.04675	3.8
103.05460	30.7
103.06117	1.6
104.06277	2.8
105.03428	1.5
105.07038	4.1
105.90105	0.8
106.04193	1.1
107.04974	2.3
115.05473	2.3
117.03413	2.0
117.07041	2.8
118.04153	21.0
119.04973	2.3
120.05740	0.8
121.02916	2.0
121.06474	4.0
122.03657	1.2
123.04408	5.2
130.04138	15.6
131.04916	51.4
132.05702	22.4
132.06682	1.0
133.02858	6.8
133.06516	3.4
134.03651	3.4
135.04427	2.1
137.06017	2.3
139.03909	1.7
140.04694	1.8
145.06514	1.8
146.03610	6.4
147.04427	5.5
148.05174	11.5
149.02327	7.9
149.05972	7.1
150.03159	0.9
151.03908	2.3
155.07047	1.3
158.03650	1.2
159.04466	2.1
160.05161	9.7
161.02397	1.5
161.05939	5.5
162.03166	2.4
163.03996	2.6
163.07495	6.4
165.05479	2.9
166.06319	1.2
167.07008	7.3
173.05980	6.4
175.03903	1.4
176.04672	27.9
177.01840	7.5
177.05455	17.2
178.02661	4.2
178.06227	10.1
179.03381	27.9
179.04898	1.5
179.06973	1.8
180.07764	4.2
189.01828	2.3
191.07011	88.8
192.07782	37.6
193.04968	1.1
193.08539	3.3
207.14029	0.8
208.07434	0.9
209.08073	1.5
210.08812	1.7
227.91510	0.8
233.04491	3.2
337.07071	2.3
339.04935	1.0
354.07336	1.9
357.09683	6.1
369.09634	100.0
370.09869	6.5
370.43329	0.7
387.10660	39.8
388.11032	2.6
400.71524	0.9
413.64523	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54332	0.6
52.69608	0.6
53.03962	0.6
55.01860	1.5
55.05507	6.5
57.03416	2.1
57.06783	1.0
57.07070	11.8
59.04979	0.7
61.02906	2.7
65.03954	0.7
67.05465	0.7
69.03427	6.2
70.06593	8.1
71.10429	1.2
71.10765	0.7
73.06533	1.8
79.05463	0.9
81.03409	3.3
81.07034	1.1
83.08613	3.9
84.08145	0.9
85.02900	17.0
87.04454	1.3
89.06025	55.7
90.44131	0.6
91.03929	0.9
91.05471	7.5
93.07026	1.0
95.04963	5.8
95.08571	0.7
97.02879	6.0
97.06532	0.8
97.25415	0.5
97.31332	0.6
99.04440	1.8
101.09649	9.4
103.05473	2.2
105.07010	2.1
106.04175	1.0
107.04936	2.0
107.07074	3.3
107.08593	3.7
109.02863	1.6
109.06484	1.5
118.04075	0.8
118.06882	0.7
119.08540	1.2
121.06481	1.7
121.10131	1.4
123.04405	2.9
123.08057	3.3
127.03886	2.8
130.04124	0.7
130.08685	0.9
131.04889	2.3
132.05669	1.1
133.06497	1.7
133.08586	16.1
133.10097	1.2
135.04404	0.9
135.11668	1.1
137.05902	1.6
137.09621	1.7
139.03918	1.3
143.94023	0.7
145.04944	2.3
145.06517	0.6
145.10182	0.6
145.12219	9.2
147.04375	1.9
147.08008	1.1
147.11662	1.2
149.05980	2.7
149.09596	2.2
151.03940	1.2
151.07690	1.5
151.09642	22.8
153.01790	2.7
161.05977	2.5
161.13239	1.1
162.06276	1.0
163.03870	1.9
163.11150	1.1
165.05421	1.4
165.09039	3.1
166.28636	0.7
167.06992	2.1
176.04617	1.0
177.05478	6.0
179.03380	1.2
181.12231	1.8
189.09183	1.2
189.12767	0.8
191.06932	3.5
191.10632	6.5
192.07791	2.6
203.03378	0.9
207.15898	100.0
208.16194	2.9
223.13231	1.4
225.14835	3.0
235.13315	0.7
249.14896	5.3
261.14838	0.9
291.15652	1.2
291.34296	0.6
333.16403	0.7
337.10431	1.0
351.18002	1.7
357.09332	1.1
369.09576	5.3
369.19000	1.0
371.16980	1.3
386.11969	0.7
386.19067	6.5
387.10651	5.6
387.19748	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95294	0.4
56.96560	0.4
57.03423	1.3
58.06590	1.3
61.02912	1.6
69.03426	4.7
69.95216	1.9
71.04987	0.9
73.02910	0.6
79.05499	0.7
81.03420	2.8
85.02900	12.7
87.04446	0.8
91.03966	0.4
91.05448	2.3
93.07023	0.5
93.35974	0.4
95.04940	0.8
97.02901	3.4
98.06060	0.4
99.04436	0.9
99.06865	0.5
103.05470	2.8
105.07020	11.3
107.04929	1.7
109.02866	1.8
112.07536	0.5
115.05447	0.4
117.07008	0.5
118.06542	3.9
119.07298	0.5
120.08108	8.9
123.04415	0.8
127.03909	2.7
128.06209	1.1
131.04912	1.9
131.07260	1.1
131.08537	0.6
132.08078	0.5
135.08069	0.4
136.08382	0.4
136.81142	0.4
139.03831	0.5
143.08566	1.5
145.04927	1.8
153.01765	1.2
158.09702	0.6
160.11211	49.2
161.11519	1.3
167.07005	2.7
178.12260	43.6
179.12631	1.0
183.02936	1.1
196.05983	0.5
206.11752	9.3
217.01015	0.4
224.12798	100.0
225.13110	2.8
248.12782	0.7
263.00995	0.6
350.15909	1.1
386.14218	0.4
386.18170	6.4
407.97971	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47519	0.6
53.03948	3.4
55.01861	2.2
55.05501	1.2
57.03436	4.5
57.07066	1.4
57.83076	0.5
61.02922	8.4
65.17336	0.6
67.05484	1.8
69.03422	17.1
69.07050	0.9
70.06575	1.0
71.04977	2.7
71.57471	1.1
73.02905	4.1
79.05488	24.6
79.05956	1.3
81.02979	0.8
81.03416	8.2
81.07051	2.6
82.03696	0.8
83.04996	1.6
85.02898	86.3
85.06537	36.6
86.03275	0.9
87.04459	2.1
91.03944	4.7
91.05463	1.0
93.07029	1.9
95.04965	3.3
95.08597	1.2
97.02883	23.0
97.03513	1.1
97.06521	1.1
99.04463	5.3
105.03383	28.6
105.06998	2.1
107.04934	0.8
107.08574	1.3
109.02872	6.5
109.06525	1.4
109.10126	0.8
119.08540	1.1
119.70632	0.6
121.06492	1.3
121.10131	2.1
123.04420	100.0
123.08034	1.4
124.04749	1.5
127.03908	20.9
133.06419	0.8
135.08064	1.3
137.05948	3.7
139.03868	2.4
141.05428	1.4
145.04948	40.0
147.04372	0.9
147.07999	1.7
149.05968	1.2
149.09593	1.2
151.07542	1.4
152.10585	0.6
153.01819	1.0
163.06010	11.9
163.07394	1.1
164.14970	0.9
165.12785	0.6
166.13142	0.8
167.07060	1.8
177.05478	2.2
181.04942	1.0
189.09082	6.6
189.12698	3.9
190.13557	1.5
191.06943	0.9
191.10680	1.1
193.08647	0.8
206.12933	0.7
206.15414	2.1
207.10172	0.8
211.09590	1.1
223.13205	1.3
223.16859	4.6
224.16924	9.7
229.10666	3.2
234.08432	0.7
285.09720	1.3
357.13330	0.8
387.14474	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1594
Annotation	Papaverrubine F
Peak:m/z	Relative Intensity
54.03469	0.7
58.06583	0.5
60.42676	0.3
60.54236	0.3
66.54172	0.3
67.05515	0.5
67.37306	0.3
68.96107	0.3
68.99794	0.5
69.27152	0.4
70.06586	100.0
70.95915	1.0
71.06924	1.3
79.05485	0.7
91.05487	0.6
93.07051	0.5
95.08609	1.5
98.21008	0.6
103.05464	0.8
107.04954	1.0
109.06502	0.4
113.05948	0.5
119.04918	1.9
119.08581	0.4
121.06478	2.2
123.04418	11.4
123.05317	0.6
135.04384	1.2
137.05980	0.5
142.56496	0.3
144.55817	0.3
147.04376	7.2
149.05968	3.6
149.09676	0.7
159.04370	0.8
161.05966	0.8
165.05463	4.6
165.09166	0.4
175.07549	0.6
177.05452	51.6
178.05809	1.4
189.05508	0.6
207.06487	1.3
207.13789	1.1
226.58879	0.4
234.11226	4.3
329.06180	0.5
329.10120	10.1
330.10507	0.6
382.07709	0.4
386.15942	57.2
387.16129	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	386.1594
Annotation	Papaverrubine F
Peak:m/z	Relative Intensity
54.03462	0.5
55.04242	0.6
58.06596	0.4
68.59376	0.3
68.99786	0.8
70.06586	100.0
71.03339	0.7
71.06918	1.2
81.03381	0.3
81.07065	0.5
91.05466	0.9
91.96751	0.3
93.07021	0.8
95.04948	0.4
103.05426	0.5
107.04955	0.9
109.06474	0.3
119.04925	1.9
121.06504	2.1
123.04418	9.9
131.04941	0.4
131.18123	0.3
135.04404	1.9
137.05977	0.6
147.03336	0.2
147.04405	5.7
148.04738	0.3
149.05975	5.8
159.04424	0.6
161.05988	0.6
165.05458	3.9
167.06973	0.3
173.05930	0.3
175.07567	0.7
177.05453	59.0
178.05779	2.4
179.07091	0.3
188.06812	0.3
189.05569	0.5
207.06470	1.3
212.63058	0.3
216.10370	0.3
234.11194	3.5
234.14964	0.4
262.15604	0.3
315.07751	0.3
329.10159	10.9
330.10553	0.5
371.20029	0.3
386.15942	53.3
387.16235	3.7
405.90509	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1594
Annotation	Papaverrubine F
Peak:m/z	Relative Intensity
54.03470	0.6
55.01858	0.6
55.04271	0.6
60.92435	0.3
67.05479	0.6
68.99799	0.3
69.03429	0.4
70.06586	100.0
70.72913	0.5
70.73293	0.7
71.06274	0.3
71.06915	1.2
72.01003	0.3
79.05495	0.5
81.07062	0.9
85.02917	0.7
91.05475	1.4
93.07044	0.6
95.04948	0.6
95.08617	1.6
97.02912	0.3
98.21106	0.4
105.07037	0.6
107.04964	0.9
107.08591	0.5
109.06525	1.0
113.06039	0.4
115.29611	0.3
117.07011	0.3
119.04932	3.1
119.08546	0.6
121.05749	0.3
121.06487	1.8
121.10167	0.5
123.04423	16.7
123.08074	1.3
133.06538	0.4
135.04413	1.1
137.06004	0.6
147.04398	11.2
149.05978	3.0
149.09612	0.9
151.07556	0.4
159.04439	0.6
161.05995	1.0
165.05476	5.8
165.12721	0.4
166.05823	0.4
177.05457	36.8
178.05859	0.9
178.41351	0.3
183.48679	0.4
189.05614	0.4
189.12726	1.4
191.07097	0.3
207.06534	2.3
207.13820	3.1
208.09013	0.4
223.09195	0.3
224.47894	0.3
225.14687	0.4
232.17993	0.4
234.11205	0.6
238.73138	0.4
329.06262	0.6
329.10162	12.5
330.10498	0.8
366.57431	0.3
386.15942	41.4
387.16495	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	385.222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67128	0.5
51.86850	0.5
53.03927	1.7
53.17430	0.4
53.50824	0.4
55.01867	0.9
55.05509	2.9
57.03418	0.8
57.07048	1.3
58.41911	0.4
61.02902	0.6
65.03924	0.6
67.05227	0.4
67.05505	4.8
69.03426	6.3
69.07066	4.3
70.06568	1.2
71.04978	1.2
71.52628	1.0
79.05488	2.7
79.25494	0.4
81.03413	10.3
81.07052	5.0
83.04972	3.8
83.08604	2.2
85.02891	5.2
85.06065	0.6
85.06540	7.9
91.05467	2.5
93.07043	8.3
95.04945	2.0
95.08606	10.0
97.02871	1.6
97.06519	1.0
99.08045	0.5
102.09159	1.4
105.07043	3.8
107.04946	1.1
107.08595	5.2
109.02866	1.0
109.06512	3.0
109.10155	7.5
111.08070	2.6
113.09666	0.7
117.06982	0.9
119.04925	0.7
119.08539	2.9
121.06499	4.7
121.10138	13.9
123.04432	5.2
123.08064	2.2
123.11691	1.6
125.09617	0.8
127.03915	1.0
131.08527	1.0
133.10126	1.8
135.08049	2.5
135.11693	2.1
137.09608	3.9
139.03867	0.9
139.07536	4.0
139.11151	0.7
145.04993	0.7
145.10118	1.9
147.04387	1.6
147.11713	3.2
149.09608	3.7
149.13301	0.5
151.07521	2.1
151.11176	0.6
153.01802	1.9
153.09129	0.8
159.11737	0.7
161.06003	0.7
161.13306	1.1
163.03902	0.9
163.07513	0.6
163.11166	1.3
163.14842	2.5
165.05466	1.1
165.12758	8.6
167.06985	3.5
175.14825	0.6
177.05447	0.8
177.16367	1.1
187.14816	1.1
191.06987	0.6
193.08685	0.7
193.15874	2.1
201.00984	0.6
205.08636	1.4
205.12120	0.6
205.15863	4.6
215.07040	0.5
217.08606	1.1
223.16920	100.0
224.17271	1.9
233.08072	2.7
249.09050	0.6
253.08591	1.1
271.09372	0.8
299.09131	1.9
314.11493	2.3
315.12082	0.6
321.11032	0.8
335.12601	0.8
353.13928	0.8
367.15570	1.2
385.12131	0.9
385.16492	2.9
385.22382	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67128	0.5
51.86850	0.5
53.03927	1.7
53.17430	0.4
53.50824	0.4
55.01867	0.9
55.05509	2.9
57.03418	0.8
57.07048	1.3
58.41911	0.4
61.02902	0.6
65.03924	0.6
67.05227	0.4
67.05505	4.8
69.03426	6.3
69.07066	4.3
70.06568	1.2
71.04978	1.2
71.52628	1.0
79.05488	2.7
79.25494	0.4
81.03413	10.3
81.07052	5.0
83.04972	3.8
83.08604	2.2
85.02891	5.2
85.06065	0.6
85.06540	7.9
91.05467	2.5
93.07043	8.3
95.04945	2.0
95.08606	10.0
97.02871	1.6
97.06519	1.0
99.08045	0.5
102.09159	1.4
105.07043	3.8
107.04946	1.1
107.08595	5.2
109.02866	1.0
109.06512	3.0
109.10155	7.5
111.08070	2.6
113.09666	0.7
117.06982	0.9
119.04925	0.7
119.08539	2.9
121.06499	4.7
121.10138	13.9
123.04432	5.2
123.08064	2.2
123.11691	1.6
125.09617	0.8
127.03915	1.0
131.08527	1.0
133.10126	1.8
135.08049	2.5
135.11693	2.1
137.09608	3.9
139.03867	0.9
139.07536	4.0
139.11151	0.7
145.04993	0.7
145.10118	1.9
147.04387	1.6
147.11713	3.2
149.09608	3.7
149.13301	0.5
151.07521	2.1
151.11176	0.6
153.01802	1.9
153.09129	0.8
159.11737	0.7
161.06003	0.7
161.13306	1.1
163.03902	0.9
163.07513	0.6
163.11166	1.3
163.14842	2.5
165.05466	1.1
165.12758	8.6
167.06985	3.5
175.14825	0.6
177.05447	0.8
177.16367	1.1
187.14816	1.1
191.06987	0.6
193.08685	0.7
193.15874	2.1
201.00984	0.6
205.08636	1.4
205.12120	0.6
205.15863	4.6
215.07040	0.5
217.08606	1.1
223.16920	100.0
224.17271	1.9
233.08072	2.7
249.09050	0.6
253.08591	1.1
271.09372	0.8
299.09131	1.9
314.11493	2.3
315.12082	0.6
321.11032	0.8
335.12601	0.8
353.13928	0.8
367.15570	1.2
385.12131	0.9
385.16492	2.9
385.22382	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79100	1.0
53.03936	2.5
55.01859	4.9
55.05510	8.2
57.03429	4.8
57.07058	1.1
59.04994	2.3
61.02921	9.4
67.05502	8.8
69.03426	21.9
69.06715	1.8
69.07064	21.5
70.06595	1.2
71.04989	4.3
71.60404	1.6
73.02906	3.4
77.03907	1.5
79.05492	9.3
81.03421	10.1
81.07052	15.2
83.04972	10.9
83.08630	8.5
85.02898	58.4
85.06535	4.8
87.04462	2.7
91.03935	3.9
91.05491	7.2
93.07042	16.0
95.04955	5.9
95.08597	34.0
97.02895	20.6
97.06536	3.8
97.10165	1.6
99.04456	5.4
99.08070	1.5
105.07023	13.2
107.04958	4.1
107.08591	24.0
109.02888	7.1
109.06504	11.0
109.10165	7.4
111.08060	7.2
111.11712	11.3
116.02393	1.1
117.07009	3.3
119.04943	1.2
119.08584	17.9
121.06502	4.4
121.10131	20.4
123.04435	4.8
123.08052	8.1
123.11689	11.4
125.09704	2.0
127.03910	15.3
127.07568	6.1
129.07034	1.6
131.08557	5.7
133.10130	10.3
135.08044	13.0
135.11693	10.4
137.05977	2.5
137.09627	5.9
137.13292	2.2
139.07535	2.5
139.11104	1.5
145.04950	12.7
145.10103	14.3
147.04384	2.2
147.11676	15.1
149.05962	1.5
149.09634	9.9
149.13226	2.3
151.11177	2.5
153.01773	1.7
157.10101	2.7
159.11719	6.3
161.13260	6.8
163.03845	1.5
163.11221	2.7
163.14830	13.0
165.12773	1.5
167.07001	10.4
167.10646	2.6
172.12514	3.2
175.07721	1.1
175.14850	6.5
176.04683	1.2
177.05473	2.8
177.12799	2.0
177.16388	10.6
181.08574	1.8
183.16043	1.1
183.55553	1.2
187.14795	26.7
188.15172	1.7
189.16383	2.1
191.14360	1.4
193.08583	1.4
193.12198	1.6
193.15942	1.7
205.15875	100.0
206.16197	1.4
207.17511	5.2
223.16910	66.0
231.10223	1.5
233.08052	4.1
249.05724	1.4
249.09050	1.3
282.08899	2.0
306.09299	1.0
343.11652	4.4
345.06125	1.7
353.13699	3.1
367.11813	2.0
385.12564	2.6
385.17279	4.7
385.22275	20.5
399.23407	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
55.01857	3.9
55.05495	4.2
57.03422	3.7
61.02923	3.4
67.05491	3.6
69.03431	11.2
70.06586	4.9
70.84835	3.7
70.85171	2.2
71.04965	1.9
75.38036	1.6
79.05482	4.1
81.03407	3.7
83.04984	10.4
85.02905	14.2
89.53011	2.3
91.05476	18.5
93.07038	9.0
95.04945	4.8
95.08595	2.1
97.02882	6.2
97.78110	1.8
103.05450	2.3
105.07037	12.7
107.04940	5.1
107.08597	10.1
109.06472	2.9
115.05470	1.7
117.07001	5.0
119.04948	2.2
119.08586	10.9
121.06488	10.6
121.10131	9.8
123.04430	13.0
123.08080	4.4
125.05994	2.0
128.06256	1.9
129.06984	5.2
131.04918	3.9
131.08519	8.3
133.06444	3.8
133.10120	14.2
135.08060	13.1
135.11703	10.0
136.08807	3.2
137.05943	2.6
143.08624	2.1
144.09355	10.0
145.04996	2.1
145.10124	12.6
146.07277	3.9
147.08029	5.2
149.09621	16.0
149.13214	4.7
151.07605	2.7
153.01961	2.1
157.06496	2.0
157.10095	2.0
159.11685	38.0
161.09604	25.6
162.10281	3.7
163.03842	1.7
163.07460	2.8
163.11177	66.4
164.11530	2.3
165.09128	3.7
167.07050	14.9
172.08835	8.6
177.05469	3.4
177.12752	55.0
178.13069	3.1
179.07083	2.1
187.09491	3.7
187.11168	66.7
191.06917	2.1
191.10907	1.8
196.10939	2.0
203.10635	2.1
205.12238	100.0
206.12666	3.2
208.11029	2.0
223.09430	9.4
223.13199	4.0
231.10164	3.0
233.08060	5.8
289.14322	3.4
339.12341	1.8
343.11746	5.8
353.13834	3.7
361.55234	2.3
367.17404	4.0
385.18527	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	385.183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91919	0.3
56.08216	0.3
57.38176	0.3
58.81575	0.3
67.05466	0.3
69.03420	1.1
70.06584	0.9
71.19650	0.9
72.67878	0.3
79.05466	0.7
81.03407	0.5
81.07024	0.8
85.02884	1.3
89.31768	0.4
90.53998	0.3
93.07022	0.6
95.04945	0.5
95.08578	0.4
97.02864	0.5
105.07025	0.7
107.04921	1.1
107.08576	0.8
111.04360	0.3
119.08588	0.5
121.10117	0.4
123.04430	2.3
123.08051	0.7
133.10092	0.8
135.08026	0.5
137.06012	0.8
137.09570	0.8
145.10124	0.7
147.04301	0.5
147.11716	0.4
153.01820	0.7
161.09636	0.5
163.11147	2.1
167.07004	4.3
170.07254	0.4
173.13203	0.3
175.07527	0.4
177.05379	0.4
191.14340	0.5
205.12239	1.8
223.13168	2.8
233.08009	0.7
245.06326	0.7
265.14368	1.4
266.06430	0.4
343.11707	1.2
367.12286	0.4
367.17035	0.5
368.17480	0.5
385.18292	100.0
386.18839	4.6
399.21329	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1834
Annotation	His Thr Gln
Peak:m/z	Relative Intensity
57.03421	0.3
66.68031	0.3
69.03429	0.8
70.06580	1.0
71.59923	0.5
79.05494	0.9
81.03422	0.5
81.07037	0.4
83.04974	0.5
85.02900	2.1
89.06059	0.4
91.05456	1.4
93.07085	0.5
95.04977	0.6
95.08617	0.7
97.02867	0.6
101.02371	1.2
105.07005	0.7
107.04977	0.4
109.06530	0.6
121.06478	4.1
121.10110	0.4
123.04456	1.6
123.08041	1.3
128.74068	0.3
135.08014	0.6
137.05991	1.4
145.10284	0.4
147.04414	0.8
149.05980	1.4
149.09595	0.8
151.07510	0.7
153.01804	1.3
159.11710	0.4
161.05981	4.4
161.09612	1.2
163.07581	0.4
163.11134	0.9
165.09085	0.5
167.07057	1.4
175.07571	1.7
177.05473	0.7
181.08612	0.4
185.62981	0.4
189.09103	1.9
191.07152	0.4
205.12207	3.0
207.10179	1.6
207.15842	0.7
223.13110	3.3
265.14267	0.5
280.97147	0.4
311.12756	1.1
337.14404	0.6
343.11603	0.6
355.15546	0.4
385.18298	100.0
386.18628	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	385.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.2
69.03413	0.4
70.06592	7.1
71.59758	0.3
78.04701	0.8
79.05496	0.3
80.04837	0.2
81.03393	0.3
81.07057	0.2
85.02898	0.8
91.05448	0.4
97.02887	0.3
98.06062	0.2
103.05432	0.2
106.04185	0.9
107.04953	1.9
107.08579	0.2
108.84940	0.2
110.03635	0.3
121.06499	0.3
123.04418	1.5
127.03919	0.4
134.03659	0.9
135.04391	0.8
139.03860	0.4
147.04373	0.8
147.11661	0.2
149.05943	0.6
162.03116	12.7
163.03880	2.2
163.11166	0.6
165.01767	0.3
165.05460	0.5
167.07010	0.2
177.05457	3.5
177.06853	0.3
179.03355	1.7
179.06938	0.3
180.04195	0.2
182.18974	0.2
189.12708	0.2
190.02603	20.0
191.03012	0.8
195.06505	0.2
205.12209	0.9
207.02890	1.1
208.03656	11.2
209.04060	0.4
223.06001	100.0
224.06329	3.9
234.11203	0.3
329.10184	0.9
343.99872	0.3
349.56522	0.2
385.10968	1.3
385.15274	2.3
386.16040	4.0
408.88544	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35134	1.3
53.03933	1.7
55.01864	4.8
56.96562	3.6
61.02911	5.3
63.34377	1.4
67.05487	2.7
69.03414	6.4
71.60423	1.6
73.02924	1.9
81.03413	3.6
83.01290	1.6
83.04977	2.2
85.02896	12.0
85.07664	7.0
91.05477	6.1
93.07032	2.5
95.04941	2.8
97.02876	4.2
99.04424	1.8
101.02391	1.7
101.13564	1.5
103.05448	4.3
105.07021	4.2
107.04956	2.8
109.02864	3.0
115.05410	2.4
118.04131	2.1
119.03396	5.8
119.04852	1.9
119.08561	1.8
121.02891	1.8
121.06479	4.8
123.04412	6.9
127.03922	3.7
128.06226	2.1
129.06924	2.1
131.04941	19.1
133.06471	5.7
133.58279	1.5
135.04349	1.8
137.06029	1.9
139.03876	6.2
141.07048	7.6
143.03366	5.3
143.04950	2.5
144.05626	2.7
145.06503	4.7
147.04395	6.2
149.05983	2.2
151.03954	2.1
153.01799	2.3
155.04816	1.6
155.07034	1.9
157.02834	2.8
157.06473	3.7
158.07224	2.5
159.04387	5.1
159.08069	2.4
161.05933	11.0
163.03941	2.2
163.11133	2.1
165.05414	2.5
167.07071	8.4
169.06491	8.0
171.04486	2.6
172.05101	2.2
173.05980	4.2
174.10136	1.7
175.03903	3.4
175.07539	3.2
176.04619	2.7
177.05426	5.0
178.05763	1.6
179.06999	2.3
180.07793	8.2
181.04999	2.8
181.08510	1.8
183.04230	1.8
185.06003	3.3
186.06790	4.5
187.03909	9.0
187.07481	5.4
188.04651	2.1
189.01804	2.1
189.05486	9.2
190.06033	1.8
191.07002	23.9
192.07742	1.9
193.08571	4.8
196.05154	2.2
197.06000	11.4
199.03981	3.2
200.04675	2.5
201.05473	3.2
203.03487	2.3
203.07117	5.2
204.04187	10.7
204.07782	2.9
205.04922	2.5
205.08592	4.9
205.12170	10.2
207.06573	4.2
208.07147	1.9
211.07610	2.1
213.05556	3.0
214.06216	4.1
215.03426	1.9
215.07027	11.5
217.05022	8.2
217.08551	2.0
218.05682	3.9
219.06528	21.5
221.08047	3.2
223.13246	11.1
225.05479	2.9
229.08478	7.9
230.05891	2.3
231.06505	9.2
233.07990	3.8
237.02744	1.8
242.05792	2.7
243.06517	5.4
245.04414	7.7
245.07997	6.0
247.09615	10.5
249.07545	4.2
257.08130	15.6
258.08551	1.9
259.05820	2.0
260.06778	24.1
261.07501	3.3
262.04691	3.1
263.05426	5.6
273.07590	7.9
275.09137	100.0
276.09454	4.9
277.07053	18.2
287.05475	8.0
288.65485	1.7
289.03482	3.4
291.08511	2.0
301.06952	8.6
319.08121	16.1
337.09137	9.1
374.95047	1.9
385.14526	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	11.8
57.03432	8.1
61.02910	10.6
62.28639	4.9
69.03426	34.8
69.61939	33.5
70.06584	11.4
73.02898	11.9
81.03395	9.9
85.02889	73.0
88.02184	10.1
91.03912	7.4
97.02895	31.0
98.21450	10.8
98.97549	37.4
99.04446	7.1
105.07011	7.3
109.02853	10.6
116.98587	24.4
119.01913	6.8
123.04436	8.0
127.03915	40.6
130.48244	5.2
134.02679	21.5
134.99631	15.6
136.06186	34.0
143.01810	5.9
145.04916	13.9
146.05247	6.5
153.01831	57.1
156.98044	5.7
161.01172	6.9
161.02931	17.0
161.05907	7.6
162.07658	7.2
163.02672	5.8
167.07050	11.7
173.02869	5.9
174.99054	11.0
175.02621	5.6
177.00729	7.2
182.53561	6.3
187.24698	5.3
189.00688	9.2
193.00203	11.7
193.08502	7.1
205.00218	15.6
219.01669	11.6
223.01253	20.4
237.02803	19.4
245.05052	7.7
247.01273	15.5
249.13603	6.4
263.06067	5.9
265.02350	8.0
265.05609	7.1
277.02328	6.9
281.57236	5.8
283.03232	14.5
295.06018	18.8
296.06403	6.4
304.06149	17.8
343.08569	7.4
385.08664	100.0
385.13721	19.4
385.18384	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	385.1126
Annotation	Mandshurin
Peak:m/z	Relative Intensity
68.99802	0.2
69.03405	0.4
70.06589	5.1
78.04689	0.7
79.05470	0.4
81.03399	0.3
85.02878	0.6
91.05462	0.3
93.07030	0.2
95.06018	0.2
96.11827	0.2
97.02853	0.3
98.20958	0.8
103.03852	0.2
105.07043	0.2
106.04166	0.6
107.04958	1.8
109.02878	0.3
109.33478	0.2
110.03654	0.2
116.39955	0.2
117.45316	0.1
121.06504	0.2
121.10096	0.3
123.04423	1.3
134.03593	1.1
135.04373	0.8
137.05894	0.2
139.03870	0.7
147.04399	0.5
147.19296	0.2
149.05977	0.5
149.09750	0.2
151.03929	0.3
157.01355	0.3
160.15788	0.2
161.05962	0.2
162.03114	13.3
163.03899	1.9
163.07562	0.3
163.11176	0.6
167.06970	0.3
177.05443	2.7
179.03384	1.9
180.04080	0.3
190.02599	18.4
191.03053	0.9
193.01271	0.3
194.97394	0.2
205.12207	0.8
207.02977	0.9
208.03654	10.8
209.04086	0.2
223.05991	100.0
223.13068	1.2
224.06340	3.5
233.09225	0.6
234.11238	0.3
240.09386	0.3
324.29639	0.2
329.10211	0.5
343.99875	0.2
385.10925	1.6
385.15384	2.0
385.19168	0.4
386.11359	0.3
386.15945	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	385.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01872	4.1
56.96558	1.8
57.03434	1.1
61.02917	2.3
67.05501	2.0
69.03420	1.3
70.06590	1.4
70.93360	2.7
73.02917	1.6
75.68294	0.8
79.05506	5.9
81.03401	1.4
83.01340	1.9
83.04970	1.1
85.02888	5.5
89.06008	1.1
91.05461	3.5
95.01325	2.3
95.04936	4.2
96.77912	0.8
97.02881	2.9
98.97596	1.7
103.05447	7.8
105.03413	1.1
105.07028	55.0
106.07359	1.9
107.04964	3.4
109.02856	1.4
113.02406	1.1
115.03931	2.1
115.05460	12.4
116.98629	1.8
117.06999	3.3
118.04160	4.0
119.04942	1.2
123.04457	7.4
125.02333	1.4
127.03902	1.8
129.07004	1.3
130.04140	0.9
131.04961	4.2
132.05673	1.6
133.06488	52.6
134.06824	1.0
135.04485	1.0
137.05920	0.9
139.03888	2.3
140.04665	2.0
143.03436	1.4
143.04922	2.2
143.06061	3.7
144.05592	1.0
145.06474	5.7
147.04366	2.8
147.08022	1.1
149.06015	1.2
151.03905	2.2
152.04570	0.9
153.01810	1.8
155.06998	4.6
157.04996	0.9
157.06483	2.1
159.08005	1.6
160.05190	2.1
161.05978	100.0
162.06369	3.3
163.07637	0.9
167.07036	25.4
173.05974	3.9
175.03906	1.9
175.06064	2.0
175.07539	2.4
178.06274	1.5
179.07016	1.7
181.04935	2.4
183.06516	3.3
185.05974	2.4
187.03703	1.2
187.07556	1.2
188.04680	1.1
189.05502	3.4
190.02528	1.6
190.06212	3.1
191.07019	3.5
192.07857	1.9
193.08609	67.3
194.08983	3.7
197.06067	1.0
199.07553	1.3
201.05447	4.4
203.07043	2.3
205.08553	5.3
207.06476	7.0
215.07069	1.5
216.03989	0.9
217.05025	1.4
217.08728	1.5
219.06523	3.5
220.07260	1.9
221.00917	1.2
221.08105	3.0
223.09592	1.4
229.04930	2.9
231.06503	6.3
233.04469	7.3
233.08006	4.7
234.08783	1.9
235.06038	1.0
235.09564	1.8
243.06606	1.2
245.04443	1.3
245.08063	1.6
247.05986	2.0
247.09615	1.1
249.07613	3.5
251.09143	22.6
252.09476	1.2
253.07460	1.7
259.06039	1.5
260.06757	1.1
261.07596	11.5
263.09192	3.6
273.07568	1.5
275.09204	4.5
277.06870	1.0
277.10812	1.1
279.08633	2.5
287.09216	1.1
289.07031	2.8
291.08539	1.6
293.10214	2.6
293.30582	0.9
303.08630	1.1
305.10187	1.0
307.08182	7.4
319.08066	2.0
323.11279	1.4
334.02539	1.5
336.02213	1.3
349.09088	1.8
364.03619	2.9
364.53769	1.2
367.10114	2.3
385.11224	2.6
385.16718	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0317
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96497	1.4
57.69847	0.3
71.25478	0.5
71.61839	0.3
71.95175	0.3
74.09623	0.2
81.81120	0.2
82.99832	0.3
98.97574	7.3
102.91608	0.3
116.98610	9.5
117.98891	0.4
118.98132	0.3
119.01910	4.6
134.99649	11.2
135.99940	0.5
136.99207	0.3
137.02936	3.2
138.03024	0.3
140.00092	0.3
153.00720	3.2
158.01215	0.5
158.99828	0.4
177.00935	14.8
178.01036	1.8
179.00659	0.5
182.99814	0.7
193.03970	0.3
195.01915	0.6
200.02531	0.4
201.00897	0.9
216.98705	0.3
217.04070	2.6
218.03673	0.3
219.01987	25.2
220.02113	3.9
221.01709	1.2
225.00809	2.6
226.01018	0.4
234.99930	1.3
235.02328	0.2
235.99942	0.6
236.99730	1.4
237.99931	0.3
240.98796	0.5
242.03625	0.7
242.98413	0.5
242.99136	0.4
243.01923	6.1
244.02068	1.0
253.01047	0.4
255.00839	0.3
256.00897	0.3
258.99832	5.7
259.99982	2.1
260.04605	0.3
260.99884	6.0
261.03033	100.0
262.00064	0.7
262.03152	13.3
262.99930	0.3
263.03046	1.3
264.99069	0.4
266.03549	0.3
266.99246	0.3
277.00864	11.5
277.97897	0.2
278.00995	4.4
279.00665	12.2
280.01041	1.6
281.00735	0.4
282.01572	0.4
282.99890	2.7
284.00143	1.5
284.04617	6.3
284.99774	5.2
285.04895	0.9
285.99771	1.6
286.99445	0.3
288.50629	0.3
300.02515	0.6
300.97629	0.6
301.01019	8.1
302.01144	4.0
303.00864	11.1
304.00858	3.9
305.00739	0.8
318.00488	0.5
319.02017	0.5
320.02292	0.4
321.01880	1.0
322.02182	0.3
324.02771	0.5
325.01227	0.9
326.02689	0.5
343.02136	2.8
344.02124	1.1
361.01074	1.6
362.03061	0.5
367.02277	1.6
368.02243	0.6
379.02237	1.4
385.03207	14.2
386.03442	2.6
398.97650	0.3
403.00027	1.9
403.04822	19.1
404.04956	3.8
408.04840	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2943
Annotation	Jaspaquinol
Peak:m/z	Relative Intensity
55.05490	11.5
58.47062	2.9
67.05506	40.8
69.06731	2.7
69.07069	40.8
70.78912	6.4
70.79234	3.5
71.04975	4.5
72.47811	2.6
77.63467	3.0
77.66264	2.9
78.65519	2.8
79.05488	19.6
81.07055	62.1
83.04971	3.4
83.08601	6.8
85.06522	6.3
88.04841	3.2
91.05468	17.0
91.53322	2.5
93.07041	45.0
95.04952	20.0
95.08054	4.4
95.08604	52.6
97.10179	3.4
100.42065	3.3
105.07034	41.1
107.08593	52.3
109.06505	14.6
109.10155	92.7
110.51493	3.4
111.08070	7.2
117.07055	8.1
119.08572	40.6
121.06472	5.5
121.10137	37.6
123.08027	4.4
123.11692	26.1
125.05947	4.2
125.09521	3.8
129.06949	4.0
131.08603	18.1
133.10104	23.2
135.08095	3.6
135.11670	24.0
137.09534	5.6
137.13245	4.3
143.08545	5.9
144.09288	4.2
145.10110	35.7
147.10762	3.0
147.11685	27.9
149.09506	4.6
149.13251	9.6
153.12782	3.4
157.10075	13.7
159.11668	32.3
161.09557	5.5
161.13205	13.8
163.11165	15.0
163.14803	7.1
165.12738	4.2
171.11653	9.5
173.13289	19.1
175.14790	10.1
177.16322	3.4
183.11678	3.7
185.13203	7.4
187.14769	12.6
189.12787	4.9
189.16353	10.3
191.14291	5.7
191.17879	3.0
199.14807	7.3
201.16342	11.7
211.14729	3.0
213.16437	6.5
215.17940	13.3
219.17426	4.6
227.18004	5.6
229.19492	6.3
233.18968	6.4
241.19489	4.0
243.17505	4.7
255.21071	9.5
273.22046	7.2
355.29837	4.7
365.28137	9.9
383.24573	5.5
383.29355	100.0
384.29584	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	384.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.3
56.05838	0.6
57.03413	0.8
61.02907	1.4
67.05488	1.2
69.03419	3.3
69.07043	0.9
69.32124	5.4
70.03755	0.6
70.06565	1.7
73.02902	0.6
79.05469	1.2
81.03412	1.1
81.07026	1.6
83.04971	1.3
83.08589	0.9
85.02901	5.6
86.03209	0.6
87.04446	2.2
91.05443	1.6
92.64304	0.5
93.07027	1.1
95.04932	1.0
95.08584	0.9
97.02881	2.2
100.11237	1.1
105.07003	1.7
107.08584	0.9
108.08875	0.5
109.02859	0.7
109.06438	1.0
109.10143	0.7
117.07043	1.0
119.08611	2.8
120.08908	1.6
121.06501	0.7
121.10126	1.3
123.04420	2.0
123.08038	0.8
127.03897	1.0
128.06207	0.9
129.07007	0.7
131.08517	0.9
133.10147	2.6
134.10443	1.9
141.06956	1.9
145.10101	1.0
147.04387	1.1
147.08031	2.3
148.08368	1.8
153.01820	1.0
154.07744	5.2
159.07954	0.5
159.11656	1.1
160.11961	0.5
161.09618	0.9
161.13235	2.1
162.09955	0.8
162.13617	3.3
163.11169	0.5
165.05440	0.7
165.09111	0.8
166.09511	0.9
167.07030	1.0
167.08473	0.5
169.10112	100.0
170.10472	3.5
172.08813	3.0
176.15157	1.4
187.11171	95.1
188.11508	3.8
203.14310	1.5
204.14674	4.6
210.14806	1.1
221.15416	1.8
222.15723	4.1
223.09424	1.4
223.13255	2.2
227.17410	0.7
233.08076	0.8
306.08566	0.6
335.60040	0.9
349.16638	0.5
384.07443	1.0
384.15546	2.1
385.14526	1.9
385.18344	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.01859	3.4
55.05511	38.8
57.03434	6.3
57.07068	1.5
59.05010	1.3
61.02925	9.7
65.03927	1.4
67.05502	13.1
69.03427	39.9
69.07058	5.2
69.66057	9.3
71.04984	2.9
73.02913	4.4
73.72560	1.2
79.05483	8.3
81.03426	12.0
81.07058	19.7
83.04971	18.2
83.08644	1.7
85.02904	57.6
87.04463	5.3
91.03928	2.7
91.05463	12.8
93.07037	12.9
95.04948	11.9
95.08609	9.1
97.02881	18.8
97.06531	3.8
99.04465	4.0
103.05390	1.2
105.07029	15.0
107.04953	1.6
107.08598	8.9
109.02886	5.7
109.06522	14.9
109.10141	2.9
111.08096	2.1
115.05470	1.3
117.06997	4.2
119.08575	45.3
121.06470	2.0
121.10135	18.6
123.04420	1.3
123.08052	4.1
125.09603	1.8
127.03926	9.7
131.08635	2.5
133.06483	2.1
133.09100	2.7
133.10124	51.7
135.11664	3.6
135.14626	1.5
137.09605	6.1
142.07787	2.5
143.08545	3.0
145.04971	5.3
145.10138	10.7
147.08034	48.4
147.11679	4.7
149.09581	3.4
151.11166	5.0
155.08473	1.9
157.10143	3.9
159.11681	6.0
161.09631	16.3
161.13252	85.3
162.13637	1.8
163.11174	2.9
165.09106	18.9
169.10153	5.0
170.10928	4.8
173.09641	3.3
173.13333	2.6
175.11235	4.9
175.14809	32.8
176.15141	1.4
185.13275	10.1
187.11171	4.8
188.12001	6.5
190.13533	1.2
191.14339	3.5
203.14307	100.0
204.14609	2.6
205.15843	1.5
221.15358	78.0
222.15610	1.8
368.12659	1.4
383.07352	2.2
383.15094	5.8
383.20526	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28669	2.2
53.03948	4.7
55.01846	2.8
55.05262	3.6
55.05510	49.9
57.03428	8.1
59.59329	1.6
60.42363	1.8
61.02920	8.2
67.05489	14.1
69.03426	34.5
69.07063	7.2
70.91322	5.0
70.91691	2.8
71.04997	4.6
73.02905	3.9
79.05486	10.8
81.03416	10.5
81.07049	24.3
83.04982	19.6
83.08598	2.9
84.08144	3.0
85.02901	44.0
87.04456	7.8
91.03957	2.0
91.05484	10.0
93.07048	17.7
95.04945	8.5
95.08600	8.8
97.02892	19.4
97.06515	4.9
99.04450	3.3
102.09176	21.3
103.05433	2.3
103.09511	6.4
103.18070	1.8
105.07019	19.4
107.04934	3.6
107.08596	10.4
108.18066	1.9
109.02864	5.7
109.06496	19.1
109.10159	5.6
117.06991	3.4
119.08579	51.7
121.06497	2.7
121.10129	16.3
123.08063	6.7
127.03914	8.4
129.07014	3.0
131.08549	3.7
133.06477	2.8
133.10127	58.3
135.08092	2.7
135.11670	4.9
137.09648	2.6
143.08527	4.1
145.04967	4.9
145.10129	11.1
146.10928	2.5
147.06921	3.5
147.08043	50.5
147.11717	5.6
151.11159	4.9
157.10150	4.6
159.11684	9.3
161.09605	18.2
161.13254	90.1
162.13594	2.8
165.09117	16.8
170.10924	6.5
173.09666	2.3
173.13260	2.7
175.11241	4.8
175.14803	32.0
185.13232	14.5
188.11922	5.2
190.13585	2.5
191.14262	4.1
203.14308	100.0
221.11774	8.7
221.15349	87.0
221.17555	3.3
222.15657	3.0
383.07513	9.3
383.15448	2.8
383.30112	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	383.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43628	0.3
53.20558	0.4
55.05497	0.9
56.96558	0.7
57.70412	0.4
60.76129	0.4
67.05485	1.5
69.03426	1.1
69.07069	0.5
70.09131	1.9
71.04974	0.4
79.05499	0.9
81.03428	1.2
81.07042	2.4
83.04988	0.5
85.02888	1.0
91.05482	1.5
93.07029	1.5
95.04942	0.6
95.08604	2.1
97.02884	0.8
100.11259	0.6
105.07002	1.4
107.04919	0.4
107.08549	1.0
109.06480	0.5
109.10143	1.5
114.82827	0.4
117.07001	0.5
119.08587	2.3
121.10139	1.1
123.08047	0.5
123.11667	0.4
131.08524	0.7
133.10126	1.2
137.02365	0.6
143.08519	0.5
145.10120	1.0
147.04361	0.8
147.11720	0.7
151.03801	0.5
153.01804	0.9
156.83760	0.4
159.11670	0.9
161.09673	0.4
161.13168	0.8
163.03917	0.4
165.01804	0.9
171.11682	0.4
173.13298	0.7
185.04166	2.5
203.05310	0.5
203.14392	0.5
218.04131	0.4
218.37415	0.4
221.11467	22.1
239.12555	1.2
262.14127	1.4
267.09091	0.5
323.12646	0.5
337.10562	0.6
383.16708	100.0
384.17191	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	383.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	2.3
61.02899	3.5
69.03423	10.6
69.33531	1.3
71.03290	2.5
81.03397	5.5
82.44974	1.5
85.02425	2.2
85.02898	30.3
94.06553	1.7
97.02896	7.9
97.85133	1.4
99.04440	2.2
103.03916	2.8
106.06551	2.0
109.02837	2.8
112.86650	1.3
115.05460	1.5
117.48304	1.5
118.06532	4.7
121.65874	1.5
126.23063	1.3
127.03069	1.3
127.03893	4.7
130.06508	65.0
131.06853	1.5
132.04443	18.0
132.08064	4.7
134.05957	1.4
142.06471	1.5
143.07321	3.0
144.06969	1.7
144.08057	25.6
145.07582	24.4
145.08643	2.1
146.05977	10.7
148.07512	3.3
148.19292	1.3
154.06471	3.2
155.06081	1.2
156.06731	1.9
156.08089	4.8
157.07596	62.8
158.05994	49.6
158.07993	2.2
159.09163	8.4
160.07613	2.2
168.07980	1.4
169.07516	6.4
170.05940	3.4
170.08340	2.9
171.09129	7.0
172.07523	10.2
174.04121	1.4
174.05428	6.2
175.08650	59.3
176.07030	3.7
181.07579	4.3
182.08334	2.5
183.09148	17.6
184.06107	1.8
184.07558	3.7
185.07089	11.4
186.05478	4.9
186.07820	3.2
187.08594	2.6
188.07056	2.4
190.08603	2.3
197.07108	1.7
198.05406	1.6
199.08661	12.5
200.07077	17.8
202.07057	1.6
203.08133	100.0
204.06480	3.4
204.08340	3.0
207.09061	1.9
209.07047	8.8
213.06651	2.1
215.08119	3.5
216.08871	3.0
217.09711	29.0
221.09180	56.2
222.09427	1.7
224.06769	1.4
227.08168	10.8
228.06522	4.2
231.07663	7.4
233.09093	1.5
243.07521	1.7
245.09215	27.1
256.10037	1.4
257.09116	1.6
263.10239	53.1
264.10648	2.4
266.07983	1.5
269.09207	2.3
274.10693	2.6
275.10236	1.6
283.10724	2.4
299.10141	6.3
301.11652	1.4
311.10312	3.5
329.11215	3.7
347.12411	9.4
348.10632	10.2
363.31073	1.4
365.13428	36.6
383.14471	32.7
384.14725	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	382.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.6
57.03414	0.2
57.39728	0.2
58.06593	2.2
62.05781	0.3
62.06084	3.5
67.05503	0.4
67.81616	0.2
67.98125	0.2
69.03445	0.5
69.07060	1.0
69.39677	1.9
79.01852	0.6
79.05476	0.5
81.03389	0.3
81.07029	1.1
83.04981	0.8
84.08139	8.0
85.02888	0.6
91.05476	0.8
93.07034	0.7
95.08582	1.0
97.02907	0.4
97.10159	0.7
98.20744	0.4
98.21324	0.6
99.04436	0.2
102.09171	100.0
103.09518	0.7
105.07018	0.7
107.08589	1.1
109.02831	0.2
109.06522	1.0
110.07134	0.3
115.05456	0.3
117.06994	0.4
119.08559	0.6
121.06502	0.8
121.10128	0.4
125.02321	0.3
125.09676	0.2
127.03954	0.3
131.08556	0.3
133.10109	0.4
135.08044	5.6
143.03375	0.6
145.10121	0.5
147.04361	0.2
151.03951	0.3
151.07422	0.2
153.01813	6.9
154.02122	0.5
159.08075	0.3
159.11720	0.4
161.09557	0.4
163.11165	0.2
173.09630	0.5
203.12796	0.4
203.14503	0.3
221.11803	0.2
221.15346	0.3
225.68645	0.2
229.15872	0.3
309.63605	0.2
328.99866	0.2
345.06085	0.4
351.04919	0.5
351.12164	0.2
382.13507	0.2
382.29498	11.9
383.07498	2.9
383.15179	0.8
383.30078	0.4
406.03754	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9744
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89262	0.9
66.94540	0.6
69.03406	0.8
69.27359	0.9
69.74485	1.6
69.74896	3.9
70.65153	0.7
76.49310	0.7
81.03392	0.8
85.02853	2.5
90.87099	0.9
92.59893	0.7
97.02873	1.6
98.20807	1.0
98.97559	1.7
99.88753	0.7
119.01906	1.6
131.01884	1.2
133.49731	0.9
143.00084	1.3
143.01826	3.5
145.03418	2.1
147.03194	1.4
161.01173	1.5
161.02878	6.1
171.03171	1.5
173.02916	1.1
175.02664	1.1
177.00641	0.8
180.02632	0.8
182.02505	1.1
189.04256	1.9
199.02510	1.1
203.03929	3.7
205.03722	1.0
209.03690	0.8
211.53969	1.5
212.03622	2.3
214.96498	4.5
217.03539	0.9
218.03549	0.9
218.54512	1.3
219.01819	1.4
221.04996	2.5
226.54367	1.1
238.96317	3.1
239.06079	2.8
256.97562	19.5
262.96603	1.4
263.06198	11.5
268.97449	2.3
275.06049	1.5
276.92075	6.8
277.05884	2.3
280.94562	1.6
280.97559	24.5
281.97839	0.9
292.97549	6.2
293.04523	1.2
294.93140	16.3
295.05173	1.0
298.98599	9.8
303.98969	1.5
305.05243	1.3
310.98502	3.4
318.93167	4.2
322.98715	3.4
323.06818	1.1
325.82495	0.9
328.99652	1.2
333.55450	1.4
334.04974	1.3
336.94165	17.2
340.99799	4.4
341.07306	2.6
359.00461	1.4
359.95795	1.7
365.08456	1.8
377.01492	1.6
382.07999	2.5
383.08200	100.0
401.01694	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	7.3
57.03414	0.8
57.07069	1.4
60.50877	0.6
67.05495	6.1
68.26270	0.6
69.03417	2.0
69.07069	3.9
69.69071	4.2
71.04967	3.1
79.05457	1.5
81.07050	31.8
83.08616	9.5
85.02906	4.1
85.06538	1.9
91.05470	1.8
93.07023	2.9
95.08607	7.1
97.02888	1.0
97.06490	0.9
100.48646	0.7
105.07024	11.2
107.08595	5.9
109.06511	1.4
109.10159	0.9
109.34820	0.7
111.08044	0.8
113.06002	1.6
119.08589	2.4
121.10136	12.1
123.08051	1.4
123.11697	100.0
124.12041	2.5
127.07653	0.7
137.13248	6.8
142.86737	0.6
145.04900	1.1
147.11673	33.5
165.12740	44.2
166.13042	1.5
183.13792	40.3
190.08058	0.6
201.14850	25.9
202.15216	0.9
254.80353	0.7
288.95767	0.6
322.82727	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	6.6
57.03428	1.3
59.04996	0.9
60.74928	0.5
64.43390	0.5
67.05501	5.7
69.03417	1.9
69.07068	3.8
70.72763	0.6
70.94210	1.6
71.04986	2.2
79.05485	1.4
81.06576	1.4
81.07053	26.8
83.08615	9.0
85.02908	6.2
85.06540	1.8
91.05474	1.7
93.07047	3.4
95.04977	0.8
95.08605	7.5
97.02900	1.2
97.06493	0.7
105.07027	15.2
105.51007	0.6
107.08592	5.6
109.02875	0.9
109.10142	1.4
113.06040	0.7
119.08597	3.6
119.33333	0.6
121.10131	12.9
123.08106	1.3
123.11700	100.0
124.12039	2.3
127.03892	0.9
137.13246	6.9
145.05009	0.7
145.80713	0.8
147.11681	41.8
148.11957	1.0
165.12743	53.3
166.13123	1.0
183.13802	67.6
184.14081	1.2
197.78941	0.6
197.93353	0.7
201.14848	35.0
208.23787	0.7
231.16000	0.6
256.14365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50930	1.2
94.95296	0.7
95.95577	0.6
98.97519	0.9
103.27714	0.6
119.01885	1.0
132.51189	0.6
145.03465	1.5
149.91901	0.7
169.03529	1.2
187.04507	2.4
203.04045	0.8
225.04599	0.8
233.05048	0.8
237.02931	0.8
251.06036	1.2
275.06088	3.4
303.05655	1.2
305.99084	0.7
321.06622	1.6
339.07523	1.4
363.07663	0.9
381.07910	100.0
382.08398	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	380.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.9
55.01849	1.8
55.05510	1.2
57.03429	1.1
60.04504	1.3
67.05484	2.8
68.99766	1.6
69.03412	2.6
71.04981	1.5
71.61542	1.3
78.70515	0.6
79.05508	3.9
81.03397	3.1
81.07052	3.9
83.04984	4.3
83.08609	1.0
84.04458	0.6
85.02888	6.7
86.06033	0.6
86.09686	1.2
86.30697	0.8
87.04456	0.8
91.05474	5.2
93.07017	2.0
95.04950	2.5
95.08610	10.0
97.02867	2.7
97.03452	0.8
99.04440	3.4
105.07027	10.2
107.04944	3.1
107.08563	1.2
109.02865	10.5
109.06516	1.7
109.10099	0.8
111.04404	2.0
116.07043	0.8
117.05672	0.7
119.04919	2.4
119.08575	1.5
121.10139	0.8
123.04448	1.1
123.08062	9.7
123.11704	0.8
125.09684	0.8
127.03908	56.6
129.05394	0.7
133.06488	2.9
137.09555	1.2
141.05424	3.4
145.04903	1.3
146.05968	2.5
147.04399	11.2
151.07526	10.2
153.01778	1.6
160.07549	6.2
162.09172	2.4
165.09117	1.5
169.08591	100.0
170.06070	0.9
170.08960	0.8
171.04335	1.4
183.10147	9.3
185.04184	2.5
185.61272	0.7
186.04546	1.5
188.07053	14.6
201.11203	41.0
206.08112	5.7
218.05017	1.3
218.10249	1.0
277.03223	1.4
290.30496	0.8
303.01413	0.9
380.09512	10.3
380.13824	4.7
381.10550	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.9
55.01849	1.8
55.05510	1.2
57.03429	1.1
60.04504	1.3
67.05484	2.8
68.99766	1.6
69.03412	2.6
71.04981	1.5
71.61542	1.3
78.70515	0.6
79.05508	3.9
81.03397	3.1
81.07052	3.9
83.04984	4.3
83.08609	1.0
84.04458	0.6
85.02888	6.7
86.06033	0.6
86.09686	1.2
86.30697	0.8
87.04456	0.8
91.05474	5.2
93.07017	2.0
95.04950	2.5
95.08610	10.0
97.02867	2.7
97.03452	0.8
99.04440	3.4
105.07027	10.2
107.04944	3.1
107.08563	1.2
109.02865	10.5
109.06516	1.7
109.10099	0.8
111.04404	2.0
116.07043	0.8
117.05672	0.7
119.04919	2.4
119.08575	1.5
121.10139	0.8
123.04448	1.1
123.08062	9.7
123.11704	0.8
125.09684	0.8
127.03908	56.6
129.05394	0.7
133.06488	2.9
137.09555	1.2
141.05424	3.4
145.04903	1.3
146.05968	2.5
147.04399	11.2
151.07526	10.2
153.01778	1.6
160.07549	6.2
162.09172	2.4
165.09117	1.5
169.08591	100.0
170.06070	0.9
170.08960	0.8
171.04335	1.4
183.10147	9.3
185.04184	2.5
185.61272	0.7
186.04546	1.5
188.07053	14.6
201.11203	41.0
206.08112	5.7
218.05017	1.3
218.10249	1.0
277.03223	1.4
290.30496	0.8
303.01413	0.9
380.09512	10.3
380.13824	4.7
381.10550	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
55.05502	1.0
57.03413	0.7
58.93139	0.6
60.92865	0.6
61.02910	1.2
67.05500	9.5
69.03415	2.8
70.73657	1.1
71.04958	1.4
77.69686	0.7
79.05457	0.9
81.03398	1.2
81.07050	10.2
85.02891	10.8
93.07003	1.7
95.04955	1.5
95.08605	7.5
97.02890	3.0
97.03441	0.6
99.04427	2.0
99.08076	1.4
107.08572	1.9
109.02891	0.7
109.06473	1.2
109.10145	44.0
119.08575	3.2
121.10118	2.0
123.11688	2.7
125.05984	7.1
127.03883	1.8
127.07700	0.8
137.09602	68.6
145.05002	1.5
155.10646	28.9
165.09106	43.7
165.12759	1.4
180.08621	1.6
183.10138	21.1
183.13759	2.3
201.11198	100.0
202.11546	1.1
218.13855	1.0
219.12253	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	379.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98877	0.7
71.52158	1.8
72.08154	0.8
91.05460	1.1
92.77415	0.7
115.12152	0.6
121.21141	0.7
127.03883	0.7
147.04417	2.0
160.07584	1.8
181.04932	1.8
185.04205	41.4
188.07059	3.4
188.67865	0.7
191.10370	0.7
206.08168	1.2
217.04712	9.4
226.06790	0.9
253.26135	0.7
369.39261	0.7
379.09973	100.0
380.09598	4.0
380.14230	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1572
Annotation	Abafungin
Peak:m/z	Relative Intensity
51.73524	0.3
56.96557	0.6
59.06109	2.4
60.04515	0.3
60.05635	0.4
60.06463	0.4
60.08155	0.9
69.03405	0.4
70.06592	1.8
71.58494	0.5
72.08140	1.3
74.06075	0.8
85.02892	1.3
86.09698	0.4
87.05576	0.4
97.02870	0.6
98.31327	0.3
98.97577	1.0
99.08674	0.3
101.21176	0.3
107.04976	0.4
112.07595	2.1
116.07097	0.4
116.98634	0.9
120.65735	0.3
123.04392	0.4
124.91622	0.3
127.03916	0.5
134.99568	0.5
139.03877	0.8
140.07040	0.3
141.07040	0.3
153.01793	1.2
154.02051	0.3
158.06084	0.3
158.08086	3.0
158.99678	0.5
162.57988	0.3
167.07011	0.3
177.00713	1.2
217.10468	10.0
219.01712	0.5
233.15001	0.8
234.98941	0.6
294.13919	0.3
321.89310	0.4
337.07837	0.4
341.45013	0.3
379.15714	100.0
380.15982	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	378.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.9
57.03419	0.4
57.07068	4.3
64.35681	0.4
67.05486	1.5
67.85636	0.4
69.03413	1.3
69.07060	1.0
69.51097	1.2
69.51524	2.0
71.04965	0.5
79.05494	0.5
81.07041	2.6
83.04978	3.2
85.02888	1.8
85.06548	2.8
91.05479	0.9
93.07037	4.2
95.04953	0.8
95.08601	5.3
97.02901	0.6
97.06512	1.4
105.07030	1.3
107.08586	8.4
109.06504	1.4
109.10132	1.5
109.10833	0.5
110.51843	0.4
111.04432	50.6
111.08040	1.6
113.05981	1.0
117.07014	0.6
119.08551	0.8
121.06474	1.1
121.10141	1.3
122.07274	0.5
123.08060	0.8
125.05984	14.0
127.07549	1.8
130.07750	0.5
135.08049	6.6
135.11691	11.3
137.09483	0.5
137.13228	1.2
139.07518	2.2
145.10114	9.2
153.12750	4.0
163.11165	14.9
181.12221	100.0
182.12598	1.3
186.57072	0.4
199.13281	48.7
200.13606	0.6
254.21889	0.4
278.18021	0.4
297.48401	0.4
303.93655	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.01882	0.7
57.03434	0.6
60.04539	0.6
61.02921	1.6
69.03429	2.6
71.25204	0.7
71.25547	0.9
71.62930	0.4
81.03418	2.0
85.02897	10.2
91.03961	0.5
91.05479	9.3
93.07037	9.8
95.04970	2.1
97.02885	3.5
99.04451	0.8
103.05456	4.8
107.04932	0.7
107.08562	0.5
109.02843	0.7
111.04449	0.5
118.61938	0.4
119.04926	1.6
120.05688	1.1
121.06498	13.9
123.04448	4.1
125.05991	0.9
126.01090	0.7
126.09054	0.5
127.03928	2.6
128.00766	0.9
129.19768	0.5
131.05014	0.6
131.06012	0.7
135.08057	1.0
137.05963	1.3
138.06754	1.0
139.03917	0.8
139.07506	0.6
141.24541	0.4
145.04956	2.3
147.04408	1.7
148.05171	1.7
149.05974	4.9
151.03844	1.4
151.07652	0.5
153.05437	1.2
155.03679	1.4
156.04030	0.8
157.03389	2.1
166.06242	9.3
167.06963	0.9
179.06953	0.5
181.08577	100.0
182.08904	1.8
184.07315	1.0
194.62331	0.5
195.10196	0.6
198.11172	0.6
199.09636	80.7
200.09982	1.9
209.08089	1.0
211.09555	1.0
216.08755	2.0
216.12311	1.6
223.09641	1.3
240.08778	1.1
273.07568	1.6
286.09503	0.9
289.10370	0.7
307.11679	0.8
312.15927	0.5
379.13531	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
54.70486	1.1
55.01867	1.7
56.38779	1.4
56.96543	1.5
57.03434	3.0
60.04517	4.2
61.02929	2.0
67.05492	1.8
69.03438	3.2
71.59480	1.4
73.02914	2.0
79.05503	2.8
80.72415	1.3
81.03411	3.9
81.07043	1.5
83.04979	1.8
85.02901	9.2
91.05453	2.4
93.07044	5.4
95.04962	4.0
97.02888	4.8
103.05469	11.4
105.07029	2.0
107.04945	42.9
109.02885	2.2
111.04448	4.2
119.04932	2.1
121.06509	14.9
123.04453	6.1
127.03898	4.9
131.04935	6.9
135.08060	7.6
137.05972	46.3
138.06361	2.0
139.03897	10.7
139.07518	2.5
145.04971	1.8
147.04393	4.1
148.05180	6.2
149.05980	10.1
151.03862	2.0
153.01865	5.8
153.05472	3.3
155.03442	2.5
162.05447	1.5
163.03903	2.1
163.07518	19.4
165.09093	1.8
167.03481	1.5
167.07019	20.5
168.07721	2.7
169.04945	1.7
179.06905	1.5
181.08580	100.0
182.08940	3.8
185.04448	1.9
186.05481	5.3
199.06033	3.0
199.09659	12.1
205.08586	2.1
216.12207	2.0
235.09561	1.9
322.47797	1.6
378.11954	2.2
379.08203	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	378.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62899	0.2
51.02384	0.5
53.03942	0.9
55.01873	0.5
57.03417	0.8
60.04546	0.3
65.03920	0.5
69.03425	2.9
69.07075	0.3
71.04996	0.5
71.59921	0.3
73.02917	0.8
77.57533	0.2
78.03452	5.0
78.12112	0.3
79.05484	0.6
80.05019	3.7
81.03413	5.2
85.02903	4.3
85.16258	0.3
91.05476	0.7
93.07034	0.4
95.04971	0.5
95.08607	0.8
96.04491	4.8
97.02885	2.0
97.06517	0.4
99.04451	1.2
105.07035	0.3
106.02914	29.4
107.04962	0.8
107.08591	0.3
109.02872	3.8
109.06494	0.3
109.10118	0.4
111.04432	2.8
121.06507	0.6
121.10123	0.5
123.04430	4.2
123.08083	0.7
124.03951	100.0
125.04273	1.3
127.03899	2.7
133.54018	0.3
135.04381	0.3
136.32698	0.3
137.05983	1.5
138.06750	0.9
139.03880	2.3
139.11172	1.2
143.40747	0.3
145.04953	0.5
147.04399	0.6
148.05180	6.3
148.06310	0.5
151.03911	0.7
166.06247	0.3
173.11719	0.4
181.08588	61.1
181.12097	1.2
182.09032	0.6
196.06032	0.4
198.32158	0.3
199.09642	0.6
199.13371	1.0
208.06175	0.4
232.06105	0.6
243.08731	1.0
250.07103	9.6
251.07509	0.3
257.12708	0.4
268.08163	8.2
273.07602	0.3
315.24344	0.3
354.41754	0.4
378.11816	49.7
379.07895	0.4
379.12112	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01857	1.0
55.05512	0.5
55.68347	0.3
57.03420	0.9
57.38169	0.3
60.04514	0.4
61.02911	1.4
69.03423	2.6
70.06588	0.6
71.04978	0.5
71.58214	0.6
73.02911	0.4
81.03412	1.8
85.02901	10.7
86.29082	0.3
91.03974	0.9
91.05476	9.4
93.06470	0.6
93.07043	9.5
95.04970	2.6
97.02905	3.2
99.04420	0.6
103.05472	4.5
105.04514	0.7
105.07045	0.8
107.04970	0.4
107.08561	0.5
109.02875	0.9
109.06467	0.4
110.03632	0.4
111.04416	0.9
119.04963	1.6
120.05704	1.3
121.06499	14.0
122.06822	0.4
123.04401	3.6
124.03947	0.4
125.05992	0.8
126.01069	0.5
127.03912	2.0
128.00755	0.6
131.04955	0.6
133.02831	0.5
135.04315	0.4
135.08015	0.7
136.05257	0.4
137.05946	1.4
138.06738	1.8
139.03886	1.4
139.07506	0.8
145.05000	1.9
147.04387	2.2
148.05162	1.4
149.05983	5.0
151.03917	1.1
151.07498	0.6
153.01845	0.7
153.05467	1.1
155.03664	0.7
156.04028	0.8
157.03404	1.6
163.07495	0.5
165.05431	0.5
166.06261	11.0
167.06981	1.0
179.06953	0.7
181.08582	100.0
182.08926	2.5
184.07304	1.3
186.05260	0.3
191.07063	0.4
195.10062	0.4
198.11218	0.4
199.09645	76.1
200.09947	2.1
209.08092	1.3
211.09612	1.0
216.08826	1.8
216.12317	1.9
223.09601	1.2
230.10269	0.4
237.05333	0.4
240.08722	0.6
258.97336	0.3
265.10760	0.4
273.07587	1.5
289.10455	0.7
295.11526	0.5
307.11673	0.7
378.11728	0.4
378.17639	0.4
379.09235	0.5
379.13733	0.9
404.59348	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	9.6
55.05497	19.0
57.07072	6.4
61.02913	5.3
65.03937	4.5
67.05497	26.8
69.03432	10.4
69.07069	38.4
71.04990	9.8
71.61472	6.2
79.05498	29.6
81.03411	8.0
81.07051	100.0
83.04961	13.5
83.08601	19.8
83.30499	4.1
85.02890	16.9
85.06538	27.8
91.05479	16.1
93.07040	38.5
95.04972	7.3
95.08597	71.0
97.02856	6.1
97.06509	11.0
97.10158	19.8
99.08081	10.3
100.11259	29.6
100.11779	4.9
100.65063	5.3
105.07021	26.6
107.04936	8.9
107.08595	56.1
109.02909	7.2
109.06528	8.5
109.10148	37.8
111.04457	7.5
111.08088	65.3
111.11693	9.7
119.04928	4.6
119.08522	9.5
121.06460	5.3
121.10129	40.0
123.11701	78.5
125.09619	15.2
127.03902	4.8
131.08525	6.4
133.10141	14.9
135.04404	5.6
135.11681	20.3
137.05975	10.1
137.09601	7.7
137.13239	10.2
139.03883	5.0
139.11147	22.3
145.10094	11.4
147.04384	9.0
147.11665	13.9
149.09766	5.0
149.13239	52.0
151.03862	6.8
151.11154	6.2
153.01814	19.3
157.12265	12.2
159.11752	10.3
161.13152	6.7
163.03880	4.8
163.07486	7.0
163.14813	13.2
165.12770	6.1
167.07065	11.1
167.14301	7.8
181.04924	5.1
181.12308	10.4
182.15396	9.0
183.13864	8.3
187.11172	5.9
187.13235	6.3
197.15291	6.2
199.13254	10.2
199.16788	6.7
210.14922	14.7
227.17531	5.2
229.50873	5.2
295.26364	11.5
305.24783	40.9
323.25729	53.0
377.23093	55.2
378.22961	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	377.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	9.6
55.05497	19.0
57.07072	6.4
61.02913	5.3
65.03937	4.5
67.05497	26.8
69.03432	10.4
69.07069	38.4
71.04990	9.8
71.61472	6.2
79.05498	29.6
81.03411	8.0
81.07051	100.0
83.04961	13.5
83.08601	19.8
83.30499	4.1
85.02890	16.9
85.06538	27.8
91.05479	16.1
93.07040	38.5
95.04972	7.3
95.08597	71.0
97.02856	6.1
97.06509	11.0
97.10158	19.8
99.08081	10.3
100.11259	29.6
100.11779	4.9
100.65063	5.3
105.07021	26.6
107.04936	8.9
107.08595	56.1
109.02909	7.2
109.06528	8.5
109.10148	37.8
111.04457	7.5
111.08088	65.3
111.11693	9.7
119.04928	4.6
119.08522	9.5
121.06460	5.3
121.10129	40.0
123.11701	78.5
125.09619	15.2
127.03902	4.8
131.08525	6.4
133.10141	14.9
135.04404	5.6
135.11681	20.3
137.05975	10.1
137.09601	7.7
137.13239	10.2
139.03883	5.0
139.11147	22.3
145.10094	11.4
147.04384	9.0
147.11665	13.9
149.09766	5.0
149.13239	52.0
151.03862	6.8
151.11154	6.2
153.01814	19.3
157.12265	12.2
159.11752	10.3
161.13152	6.7
163.03880	4.8
163.07486	7.0
163.14813	13.2
165.12770	6.1
167.07065	11.1
167.14301	7.8
181.04924	5.1
181.12308	10.4
182.15396	9.0
183.13864	8.3
187.11172	5.9
187.13235	6.3
197.15291	6.2
199.13254	10.2
199.16788	6.7
210.14922	14.7
227.17531	5.2
229.50873	5.2
295.26364	11.5
305.24783	40.9
323.25729	53.0
377.23093	55.2
378.22961	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.5
53.03942	0.4
55.01862	0.7
55.05496	1.1
57.07074	14.0
67.05482	1.0
68.99785	0.8
69.07029	0.3
69.39346	1.7
69.39780	1.8
70.06583	5.4
72.08147	5.9
77.03931	0.7
77.06377	0.3
79.05491	0.6
81.07063	0.5
83.04960	0.5
85.06543	1.3
86.09698	4.8
91.05481	0.6
93.07059	0.5
95.04966	2.0
95.08578	0.5
98.20711	0.8
105.03399	1.3
105.07031	0.7
107.04958	0.6
107.08586	0.5
111.04434	1.1
119.04941	1.0
119.08572	0.4
120.08096	0.8
123.04421	100.0
124.04778	1.9
127.03917	0.4
128.57425	0.4
131.04961	0.6
136.07567	0.5
137.05957	0.7
139.03896	41.9
140.04266	0.9
146.06006	0.8
147.04408	5.4
147.75592	0.4
151.03903	7.6
161.05968	1.2
163.03886	0.5
163.07669	0.5
165.05482	5.2
167.03450	0.4
167.07034	0.4
175.07521	0.5
179.07054	0.5
182.08102	0.8
189.05493	0.9
207.06560	0.9
207.10208	0.8
213.05458	0.5
255.06471	0.6
259.14603	0.6
273.07510	3.0
281.00748	0.3
291.08615	8.9
304.67584	0.6
356.19693	1.0
357.20297	0.4
375.14258	0.7
375.21375	0.5
391.78528	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2376
Annotation	Manglieside C
Peak:m/z	Relative Intensity
53.03943	3.9
55.01868	5.1
55.05507	16.8
57.03436	8.2
57.07092	4.5
59.04993	2.8
61.02927	9.6
67.05508	5.3
69.03427	29.2
69.07066	36.1
69.70813	4.1
69.71223	2.2
70.07369	1.1
71.04996	8.9
71.08620	1.4
73.02919	5.8
73.06577	0.8
79.05492	4.0
81.03414	10.6
81.07056	20.0
83.01337	1.6
83.04986	5.5
83.08619	7.7
85.02904	69.8
85.06541	20.3
85.07008	1.6
86.03239	0.9
87.04447	5.7
91.03948	4.9
91.05490	2.3
93.07045	12.0
93.89333	0.9
95.04951	1.0
95.08603	35.6
97.02278	1.7
97.02890	23.9
97.06522	3.8
97.10166	8.4
99.04453	4.6
99.08091	24.8
101.02345	1.4
105.07039	2.1
107.08595	22.8
107.60586	0.8
108.08918	0.9
109.02885	8.4
109.10162	14.4
111.08103	3.0
111.11724	5.8
113.09637	7.9
115.03941	1.1
119.08594	1.4
121.10142	30.0
123.04369	1.2
123.11707	8.9
125.09624	8.3
125.13276	1.7
127.03906	16.2
127.11201	1.8
135.11694	16.2
137.05995	1.0
137.13248	19.6
139.11185	6.9
143.16508	0.8
145.04959	15.8
145.05998	1.4
149.13240	4.2
151.03923	0.8
151.07594	1.1
151.14812	3.8
153.12733	13.7
177.16382	100.0
178.16733	3.1
195.17442	43.9
196.17825	1.6
213.18494	67.0
214.18893	2.8
217.59656	0.8
254.50201	1.0
341.31735	0.9
359.88068	0.9
375.23801	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	375.2376
Annotation	Manglieside C
Peak:m/z	Relative Intensity
53.03930	1.2
54.24950	1.1
55.01854	1.6
55.05509	5.9
61.02925	1.8
67.05503	3.9
69.03427	3.2
69.07065	12.9
70.06591	1.2
71.04990	3.6
71.60288	2.2
73.73773	1.0
79.05482	3.7
81.03418	2.5
81.07052	12.5
83.08617	6.8
85.02888	5.9
85.06551	3.8
91.05479	3.7
92.64944	1.1
93.07056	9.9
95.04964	2.1
95.08593	22.4
97.02873	1.3
97.06539	1.9
97.10162	5.6
99.08094	10.8
104.97899	1.1
105.07014	3.8
107.08594	24.0
109.06495	1.1
109.10168	7.3
111.08067	6.2
113.09647	2.1
119.08561	1.7
121.10139	42.9
123.04467	1.6
125.05972	1.1
125.09627	5.2
127.03892	1.4
129.07071	1.3
133.10159	1.6
135.04393	1.2
135.11700	9.9
137.05988	3.0
137.13289	5.4
147.04396	3.8
149.13293	4.5
153.01822	4.1
153.05446	1.7
153.20560	1.3
161.06017	1.7
163.03912	2.9
164.04216	2.0
167.07010	4.2
177.05511	1.4
177.09123	3.2
177.16377	100.0
178.05830	2.2
181.05049	1.3
185.07130	2.8
188.03394	1.3
193.08652	1.5
195.10150	1.4
195.13806	3.7
195.15781	2.3
195.17442	23.4
196.07539	1.7
212.07054	2.5
213.06694	3.2
213.11227	1.4
213.14876	5.2
213.18489	36.2
214.18808	1.1
224.07050	20.6
224.09253	1.2
225.07990	1.3
284.45956	1.1
357.13412	2.3
375.19351	2.0
376.11777	8.6
376.21091	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
53.69357	0.5
55.01859	0.9
57.03416	1.1
61.02907	2.2
64.49227	0.5
69.03424	4.5
69.56020	4.3
73.02913	0.8
79.25276	0.4
81.03400	1.9
85.02901	17.0
87.04493	0.7
89.03886	3.6
91.03924	1.1
91.05473	1.2
97.02883	5.0
98.20730	0.6
99.04432	0.9
103.03906	0.6
107.04958	0.7
109.02856	1.0
117.03366	12.1
119.04964	1.1
123.04449	0.7
127.03907	3.4
134.03642	1.1
135.04393	2.4
138.09094	0.8
145.02838	40.5
145.04741	4.4
146.03206	0.8
147.04372	2.1
149.05978	6.8
150.09169	0.9
153.05469	0.9
162.03116	0.7
163.03856	2.8
177.05458	100.0
178.05800	3.2
180.08702	2.2
186.05505	1.0
194.08083	2.0
195.06525	58.6
196.06810	1.7
210.26051	0.6
212.07138	0.8
212.09184	1.4
212.12794	1.5
237.02727	0.6
241.58545	0.6
328.07816	0.5
374.18787	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	374.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
57.03413	1.1
58.06583	0.5
58.53237	0.6
61.02903	1.7
68.01904	0.7
69.03422	3.3
70.06568	2.2
71.58265	0.8
72.08155	1.1
79.05494	0.7
81.03399	1.8
83.04965	0.8
85.02896	8.2
87.04445	1.4
89.06026	41.4
91.05762	1.8
93.05418	0.6
95.04965	0.7
96.04470	0.7
97.02881	3.8
98.97574	1.0
104.70033	0.7
107.04929	1.0
107.07051	5.1
109.02859	1.8
111.04433	2.1
112.07595	1.7
119.08389	0.6
123.04347	0.6
124.03916	1.9
127.03888	2.4
129.05513	1.1
130.06500	1.5
133.07637	1.1
133.08598	16.4
137.05995	0.7
139.03868	3.0
141.56290	0.5
145.04878	1.3
147.04359	2.2
147.06544	0.7
151.09666	2.7
153.01785	2.2
153.05392	0.9
154.04984	0.6
167.07021	0.8
169.04919	2.7
170.02634	0.7
171.06493	1.0
177.05595	0.8
177.11183	2.1
180.06516	3.2
182.04486	2.5
183.05135	0.7
184.00528	0.7
186.02243	0.7
193.07059	1.8
194.08131	2.3
195.12263	100.0
196.12579	1.5
197.06915	1.8
198.07603	1.2
204.08632	1.2
212.09161	13.0
228.03156	0.7
330.06436	1.8
374.05121	1.5
374.14835	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.222
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
51.62866	1.3
51.89351	1.4
53.03946	1.4
55.05497	6.1
57.03432	4.2
57.35034	1.3
61.02896	1.5
61.11266	1.5
67.05492	6.5
68.62881	1.5
69.03412	3.3
69.07053	9.5
69.44193	14.2
71.04984	3.8
79.05473	8.6
81.03404	2.7
81.07048	19.2
83.08611	4.7
85.02911	7.0
85.06514	1.8
91.05468	6.4
93.07031	24.6
95.04968	3.0
95.08598	12.1
97.02939	2.6
97.06491	3.6
98.21529	2.8
103.05502	1.4
105.07034	18.6
107.04930	8.9
107.08575	18.4
109.02840	1.5
109.06523	2.7
109.10153	13.4
111.08075	3.2
119.08570	28.4
121.10104	9.5
123.04424	2.5
123.08079	7.1
123.11684	4.4
131.08533	2.8
132.54054	1.5
133.10132	27.4
133.11113	1.6
135.11676	29.3
137.05980	6.4
137.09595	5.1
139.03909	2.9
147.04353	2.5
147.11676	12.3
149.05984	4.3
149.13249	49.2
151.03906	5.7
163.03867	1.6
163.07529	2.1
163.14828	1.8
165.05466	1.6
167.07040	3.0
175.14813	61.8
177.05504	3.0
181.04990	1.7
186.02315	1.6
193.08592	3.2
193.15871	100.0
211.16904	25.8
219.10181	3.4
221.11682	2.7
313.10712	2.8
329.13760	2.3
355.15433	3.2
373.16672	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85773	0.8
53.03928	1.1
53.10376	0.7
54.41856	0.7
55.01859	0.8
55.05503	2.0
57.03422	1.2
57.07068	1.3
58.70762	0.7
61.02917	1.9
65.03903	0.7
67.00919	0.8
67.05498	3.8
69.03428	4.5
69.07056	4.9
69.67004	5.5
71.04981	2.3
79.05479	3.8
81.03404	2.1
81.07050	13.5
83.04965	1.7
83.08623	1.3
85.02900	13.0
85.06535	1.5
91.05471	5.1
93.07032	8.5
95.04962	1.6
95.08604	19.2
97.02879	4.1
97.06524	1.6
99.04446	1.4
99.08073	4.7
103.05469	1.3
105.07012	13.5
107.04931	2.5
107.08582	12.7
109.02888	1.6
109.06490	1.9
109.10143	14.0
113.09631	2.3
117.07007	1.4
119.08569	48.5
121.10177	3.8
123.08027	1.9
123.11674	2.8
127.03909	2.1
131.04889	1.2
131.08536	1.3
133.06612	1.0
133.10117	61.7
134.10463	1.5
135.08093	1.0
135.11682	18.4
136.05110	0.7
137.05927	1.1
137.09590	2.8
145.04929	2.4
145.10083	1.4
147.11646	3.4
149.02357	6.7
149.06021	1.3
149.13226	2.3
151.07469	1.0
151.11235	1.1
152.08258	2.5
161.05881	1.0
163.03870	5.3
163.07550	4.1
167.07013	3.2
175.14809	100.0
176.15131	2.7
177.05431	5.4
183.56122	0.7
193.08574	1.9
193.13322	1.4
193.14070	0.9
193.15891	16.6
195.06464	1.7
195.10159	1.5
211.09616	1.3
211.13017	1.4
211.16884	18.0
222.13217	0.8
255.67096	0.8
294.16501	0.8
311.50607	0.7
341.13879	4.8
373.18036	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01879	1.0
57.03432	1.2
69.03414	1.6
70.06599	1.8
71.04981	1.1
71.58480	1.6
81.03419	1.3
83.05004	2.2
85.02905	9.1
86.09683	1.8
89.03915	3.5
91.05436	1.1
97.02897	1.6
107.04959	2.1
109.02904	1.7
117.03349	11.0
119.04942	1.5
123.04451	7.2
124.07610	11.8
124.13898	1.1
127.03907	1.7
133.82605	1.0
134.05998	1.4
135.04440	4.1
136.07558	1.3
137.05984	1.9
137.09657	1.6
138.09123	2.9
138.10043	1.7
140.03453	1.2
145.02841	39.0
145.04895	2.1
147.04442	5.1
149.05997	9.2
150.09111	1.2
153.05542	1.7
163.03905	4.2
163.07410	1.3
164.07864	1.2
167.07011	8.2
168.07835	7.3
175.03938	1.7
177.05467	100.0
178.05835	2.0
194.09404	4.1
194.16205	1.8
195.04724	2.2
195.06517	39.8
195.10155	1.4
196.10901	1.6
201.05592	1.0
205.04941	7.7
212.03773	1.5
212.10480	4.4
212.12843	15.8
213.11261	1.7
222.07588	10.2
222.11253	2.2
234.07718	1.6
350.05753	1.1
374.12250	2.5
374.18887	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	373.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
56.05017	1.5
61.02911	0.7
69.03425	1.4
69.31128	1.5
69.31538	3.5
79.05499	0.8
81.03387	1.1
81.07047	0.5
85.02914	2.5
86.09686	0.9
93.07032	0.6
95.04951	0.5
97.02875	0.8
98.20722	1.0
98.21410	1.7
103.05472	0.7
105.07024	1.1
107.04939	4.6
109.06532	0.4
109.10112	0.9
119.04987	0.6
120.08097	1.1
123.04440	3.5
127.03876	0.4
131.04909	1.5
133.06491	0.6
133.10081	0.5
135.08076	1.3
137.05945	0.9
138.05522	0.5
139.03870	3.6
147.04395	1.5
149.05992	0.8
150.06313	0.5
150.09023	0.5
151.03929	0.7
151.07486	0.7
153.05472	0.5
161.05969	1.3
162.05478	1.8
163.03891	1.2
163.07544	4.2
164.07944	0.9
165.05482	0.6
167.07013	4.8
168.07559	1.5
176.07021	0.5
177.05481	1.5
180.06490	1.2
180.61617	0.5
182.09439	0.7
183.09743	1.1
194.09300	1.1
195.10088	3.3
196.10680	0.5
208.06047	0.7
209.07790	0.6
209.74269	0.5
210.08737	1.0
211.09329	1.8
211.13116	0.8
212.10522	0.9
212.12720	0.8
222.11188	0.6
275.84457	0.5
315.08170	0.5
346.67267	0.5
373.18311	100.0
374.18900	3.2
388.10413	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2217
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
54.21056	3.4
55.05498	6.9
67.05486	12.0
69.07049	10.1
71.04973	6.9
71.05350	11.1
81.07037	12.6
83.04967	8.7
83.08605	4.6
85.02885	5.8
93.07052	7.9
95.08598	23.4
98.20912	4.1
105.07047	4.8
107.08593	13.7
109.06470	5.4
109.10145	85.8
119.08578	27.0
121.10113	10.0
123.08083	9.7
123.11693	7.7
133.10133	20.4
135.11681	94.9
137.09613	10.7
149.13144	3.6
151.11208	8.7
151.14792	9.0
175.14819	41.1
193.15884	70.9
211.16927	100.0
212.17384	7.8
241.83299	3.7
341.21533	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07233	0.6
51.14050	0.6
53.03936	1.1
55.01862	1.1
56.96578	0.7
57.03433	2.0
61.02923	2.6
69.03433	8.8
70.74480	0.6
71.04992	0.8
71.60361	0.6
72.04526	0.8
73.02927	1.1
73.04333	0.7
73.04753	1.5
80.00208	0.7
81.03411	2.9
84.04504	1.1
85.02907	20.5
91.03967	0.9
91.05827	10.8
92.05708	1.5
95.04933	1.0
97.02895	8.9
97.96682	0.6
98.97624	0.7
98.98467	1.1
99.04449	1.9
103.05467	2.5
105.07019	5.5
107.04971	1.9
109.02875	2.3
111.04444	0.9
111.76157	0.7
112.12317	0.6
114.07370	0.8
115.03890	1.0
116.98594	1.2
117.07016	1.9
118.06516	1.7
119.01962	0.7
119.07326	2.1
120.08115	4.5
123.04453	0.9
126.95578	0.6
127.03902	4.1
129.05522	0.8
129.07022	3.3
131.04926	0.9
131.07283	1.1
136.06190	8.5
137.05991	0.9
138.05479	1.4
139.03882	0.9
145.04944	2.6
146.09630	5.3
147.04379	1.6
152.07022	0.8
153.01828	2.7
164.10709	90.5
165.01884	1.0
165.11041	3.0
182.04512	2.0
192.10139	2.8
210.11240	100.0
211.11519	2.7
237.02890	1.5
244.07483	1.3
253.15749	0.7
258.24789	0.7
269.97775	1.8
285.00922	1.6
286.00909	2.7
356.07001	5.1
357.06647	1.6
369.38812	0.7
372.12448	1.9
372.16608	8.6
373.15302	1.1
382.89417	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1489
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
53.03926	1.0
55.01856	1.2
55.05501	1.7
57.03444	1.0
65.03931	1.1
67.05484	1.4
69.03418	3.0
69.07050	1.0
70.06564	1.6
70.32904	0.8
71.04999	1.6
71.61438	1.0
75.65510	1.0
78.04716	1.1
79.05487	6.3
81.03410	5.1
81.07051	2.8
85.02911	5.3
91.05431	5.2
93.07033	3.0
95.04943	3.3
95.08611	2.3
97.02845	1.0
97.06527	1.4
99.08081	3.0
100.07636	1.0
100.11241	1.8
103.05453	13.0
105.07023	8.8
107.04945	85.9
107.08591	2.4
108.05264	2.0
109.10130	2.3
111.04433	3.0
115.05399	4.5
117.07007	2.2
119.08562	2.3
120.05699	4.7
121.02857	3.7
121.06471	2.4
121.10129	1.1
123.04408	3.3
124.05230	2.3
128.07072	1.9
130.06525	0.8
131.04921	5.9
133.06470	3.6
133.10135	2.2
135.08041	29.8
135.11613	1.9
137.05988	2.6
139.03886	1.5
145.04938	1.5
145.07576	2.0
147.04387	1.2
151.03900	1.1
152.04727	1.1
153.01765	2.6
153.09065	1.2
154.06270	2.3
157.07689	1.1
161.05951	1.6
163.07529	100.0
164.07959	1.7
167.07033	53.4
168.07437	0.9
180.07800	2.2
181.08612	2.7
182.15367	3.5
193.08624	2.4
193.12265	1.4
193.15887	2.7
195.10153	58.9
202.15915	2.7
210.14929	3.8
211.08672	2.4
211.13239	13.9
211.16873	4.3
213.11188	2.6
220.16942	6.3
228.15877	2.1
234.09256	0.9
315.05145	1.1
329.02798	1.8
337.21097	3.1
351.29706	0.8
355.22186	3.2
373.05463	8.7
373.13858	3.0
373.18295	6.7
374.17365	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16586	1.4
53.03936	4.2
53.08005	1.4
54.07193	1.4
55.01870	8.8
56.05034	9.0
57.03419	5.5
61.02923	13.6
67.04491	1.4
69.03424	35.4
69.03802	2.2
70.06571	1.3
70.70525	5.1
71.04968	4.5
73.02887	6.5
79.05479	5.5
81.03399	12.1
84.04486	2.4
85.02897	66.7
87.04484	6.9
91.03932	4.0
91.05437	11.6
93.07015	5.8
95.04950	6.9
97.02274	2.3
97.02879	27.0
97.59180	1.3
98.20821	1.6
99.04447	4.4
103.03983	1.5
103.05457	14.8
105.07022	33.7
106.04131	2.3
107.04932	11.9
109.02850	6.8
113.51364	1.4
115.03812	1.6
115.05410	8.7
116.06215	5.3
118.04153	2.5
119.04929	12.1
120.08044	1.9
121.06474	11.5
123.04436	12.5
127.03900	17.0
131.04935	23.9
132.05740	2.1
133.02823	5.6
133.06482	37.5
133.10158	1.7
134.07217	2.3
135.04410	3.4
135.08025	3.2
137.05986	3.5
138.10364	1.4
139.03899	8.5
144.05696	3.6
145.02843	2.1
145.04956	10.6
147.04411	12.2
149.05956	26.2
151.07533	11.7
154.06245	14.5
161.05959	50.5
162.05443	3.0
162.06709	8.5
163.03886	4.4
163.07527	64.0
164.08081	2.3
165.05469	6.4
167.07022	76.0
168.07663	2.0
175.07378	1.5
176.04584	1.3
177.05472	18.0
177.09027	2.2
179.07019	18.7
180.06418	2.9
180.07794	3.1
181.07117	2.2
181.08557	9.8
182.09369	77.7
183.09674	3.6
191.06982	2.4
192.07825	3.6
193.04913	5.3
193.08557	21.3
194.09370	100.0
195.09950	7.6
208.07355	9.1
209.08064	33.2
209.09924	2.5
210.08864	42.0
210.10942	2.6
211.09306	2.0
220.09703	4.4
221.07790	1.6
226.31332	1.6
329.10001	4.2
332.10583	1.6
372.13428	7.9
373.13925	4.5
373.18265	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
55.01880	5.4
55.05518	7.3
56.96564	5.2
57.03425	4.5
67.05492	11.4
69.03404	7.8
69.07066	10.3
69.96205	18.2
71.04987	8.6
79.05479	24.5
80.45162	3.1
81.03403	7.8
81.07057	32.5
83.04985	8.1
83.08639	4.8
85.02899	24.7
85.06517	3.7
91.05427	21.5
93.07033	20.8
95.04961	16.3
95.08587	20.7
97.02883	12.1
97.06541	6.2
99.04461	3.2
101.06010	4.2
103.05447	4.2
105.07028	48.0
107.04955	18.4
107.08595	19.6
109.02914	5.8
109.06546	8.7
109.10153	11.8
111.04420	3.5
111.08110	4.7
115.05445	4.7
117.06995	6.9
119.04947	14.5
119.08576	30.7
121.06517	10.1
121.10146	25.3
123.04421	54.3
123.08080	6.9
123.11729	4.1
124.05189	3.7
127.03918	9.8
128.06235	3.6
129.05463	3.9
129.07002	12.8
131.04912	8.0
131.08531	22.4
133.06468	10.5
133.10115	26.3
134.84778	3.4
135.04451	4.6
135.08054	9.2
135.11700	10.0
137.05956	29.2
137.09602	5.8
139.03947	6.5
143.08571	5.0
144.05699	4.5
145.04948	3.9
145.06433	4.7
145.10139	14.5
147.04416	36.8
147.06566	6.1
147.08028	5.4
147.11685	59.8
149.05968	10.2
149.13261	4.7
151.03886	100.0
151.07552	4.4
153.01825	12.8
156.05664	6.9
157.06508	7.4
158.10902	3.9
159.08047	7.8
159.11720	3.3
161.05965	9.8
161.13226	4.7
163.03922	10.2
163.14818	4.0
165.05479	21.7
165.12764	4.9
167.07024	63.7
173.13252	27.0
175.07532	12.1
175.14815	20.7
177.05493	14.6
179.07053	3.6
179.08542	3.6
181.04947	7.6
183.02827	4.0
183.06445	4.4
187.06065	3.3
187.07561	18.2
189.07162	3.4
189.09116	7.5
191.06903	7.2
191.10590	4.2
191.14310	30.1
193.08615	4.8
199.07480	5.7
201.09081	5.4
201.16519	3.8
206.07344	3.6
207.06425	5.1
209.15323	7.3
217.08592	21.1
218.07353	5.3
219.08066	3.9
219.10118	65.4
226.42130	3.4
230.41765	3.7
233.09615	9.3
234.06833	4.5
235.07455	3.9
247.07542	5.1
249.09106	10.4
251.06905	5.0
261.09244	9.1
262.06161	4.5
263.07080	7.7
265.08585	11.1
266.09317	6.3
277.08490	7.7
278.09424	7.0
279.06543	4.7
280.07291	5.1
281.08087	4.8
281.11404	3.2
285.07578	14.2
286.01474	3.7
291.48438	3.4
293.08316	4.9
293.11594	7.8
295.09540	5.1
300.09982	9.4
303.08502	7.9
309.07724	4.0
309.11096	8.3
311.09143	5.2
311.12695	7.1
313.10818	3.4
321.11270	14.1
323.09235	4.0
326.11533	4.0
339.12210	40.6
340.12518	7.4
341.13702	11.1
353.14005	15.5
371.11026	11.5
371.14902	63.4
371.20245	14.6
371.25174	5.6
371.29642	7.0
372.15207	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	371.2063
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
50.54147	1.0
53.03938	4.6
55.01869	5.1
55.05499	4.6
57.03437	7.1
57.07058	2.4
59.04980	1.2
61.02924	10.4
67.05490	4.6
68.10522	1.0
69.03426	30.3
69.07064	10.5
70.00220	4.7
71.01334	1.2
71.05003	6.7
73.02901	4.2
75.68930	0.9
78.04706	1.0
79.01830	1.5
79.05492	5.4
79.71233	0.9
81.03412	10.8
81.07061	9.3
83.01340	1.3
83.04961	2.2
83.08631	1.9
85.02903	87.2
85.06503	2.5
86.88672	1.0
87.04482	6.4
91.03948	4.6
91.05394	6.8
91.27722	1.0
93.07040	10.9
95.04975	20.0
95.08605	8.4
97.02888	27.9
97.06519	3.8
98.97542	1.0
99.04456	6.8
99.08147	1.2
101.06020	1.4
103.05455	2.4
105.07018	10.5
107.04954	9.6
107.08588	14.5
109.02875	8.1
109.06503	9.2
109.10149	4.5
111.04439	1.7
111.08064	1.6
111.11700	1.1
115.03893	1.7
115.82783	1.0
119.04970	5.5
119.08585	8.2
121.06512	6.0
121.10143	11.0
122.07275	3.9
123.04445	13.1
123.08066	17.8
123.11702	2.8
125.02372	1.0
125.06035	1.1
127.03913	24.7
129.05492	1.4
129.06958	2.7
131.04924	2.2
131.08554	5.0
133.06487	1.8
133.10127	16.9
134.10458	1.1
135.04385	1.9
135.08054	30.8
135.11681	4.1
137.05989	3.8
137.09587	1.6
137.13280	1.1
139.03899	2.3
143.08525	1.9
145.04950	34.0
145.06229	2.0
145.06479	1.5
145.10107	4.9
147.04414	6.6
147.06511	2.8
147.08119	1.0
147.11670	7.2
149.05960	2.6
149.09621	2.6
149.13235	2.6
151.03876	12.3
151.07518	2.2
151.11200	2.3
153.01828	17.2
153.05450	1.2
154.02138	1.5
155.08481	1.1
156.05652	1.3
157.06487	2.2
157.10083	1.2
158.10957	1.4
159.08084	2.0
159.11615	1.4
161.05997	2.8
161.09608	1.9
163.03893	3.8
163.05995	3.6
163.07326	1.3
163.11206	1.8
163.14789	4.6
165.05507	5.6
165.06764	1.3
165.12752	50.7
167.07033	14.4
173.13268	9.1
175.07562	3.0
175.14772	3.2
176.11943	3.8
177.05470	3.7
179.03371	1.4
181.05017	2.6
183.02898	1.8
183.08102	1.3
187.07529	4.0
189.07201	1.1
189.09088	2.6
191.07011	1.7
191.14299	100.0
192.14651	2.9
193.05057	1.1
193.08626	2.0
193.15860	10.2
195.08049	1.0
201.12573	1.1
203.08679	1.5
203.10664	1.1
205.06697	1.1
205.08521	1.4
207.08052	2.1
207.13824	3.2
208.08929	1.5
209.15356	22.2
217.08611	4.4
218.07224	1.4
219.08020	4.4
219.10168	12.9
221.05969	2.5
223.07581	1.8
224.08414	1.0
225.09146	1.3
226.06140	1.2
233.09537	2.1
235.07545	2.5
236.08299	2.4
239.10822	1.3
246.06706	1.4
247.07506	3.5
248.08229	1.9
249.05441	2.1
249.09077	3.1
250.09813	1.1
251.07057	1.9
251.10771	1.2
252.07790	3.5
252.10281	1.1
253.08603	2.5
255.06517	1.3
257.08136	2.4
261.09174	3.6
263.07022	3.2
264.07721	2.8
265.08496	3.7
266.09387	1.4
267.10132	1.9
269.08209	1.8
277.08707	3.1
278.09329	3.6
279.07373	1.1
279.10040	4.9
280.07257	1.7
281.08087	3.7
281.11462	2.3
282.08801	1.2
283.09628	1.2
285.07584	2.6
285.11038	2.2
291.06506	1.3
293.08005	1.6
293.11496	3.0
294.08832	1.8
295.09637	3.6
296.10342	4.8
297.07816	1.4
297.11124	2.8
299.12692	2.4
300.09958	1.3
303.01572	1.6
306.08621	1.8
307.09680	4.8
309.11255	1.9
309.16754	1.4
311.09106	2.6
311.12711	3.0
312.09872	2.2
313.10690	1.6
321.11197	3.4
325.10693	1.7
325.14224	1.4
327.12152	11.5
327.17944	2.0
328.12766	1.9
335.18393	1.5
339.12292	18.0
340.12753	2.5
341.13834	2.6
343.15320	1.9
353.13754	5.8
353.19675	1.1
356.12668	1.5
371.14908	29.3
371.20593	71.3
372.15341	4.7
372.21021	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	371.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.0
55.01871	9.4
55.05502	21.0
57.03419	7.3
57.07048	1.9
61.02914	9.3
65.61805	1.8
67.05489	7.2
69.03425	34.0
69.07080	4.0
71.04982	7.3
71.52267	2.7
73.02907	3.6
79.05470	6.9
81.03429	13.2
81.07038	14.7
83.04971	47.8
83.08605	22.9
85.02898	44.7
85.06537	4.1
87.04485	4.2
91.05454	4.2
93.07039	10.8
95.04964	79.9
95.08586	10.4
97.02886	21.1
97.06543	9.1
97.10131	2.7
99.04449	23.1
103.03951	8.5
105.07008	7.0
107.04926	2.4
107.08598	20.8
109.02870	5.9
109.06520	7.0
109.10147	14.8
111.04407	3.1
111.08067	4.3
115.03962	1.9
117.45676	1.6
119.04934	3.7
119.08606	4.0
121.06471	3.0
121.10120	11.2
123.04414	13.0
123.08076	10.7
123.08836	2.0
123.11660	4.8
125.05984	7.4
125.09635	7.9
127.03910	11.2
128.00801	2.2
131.08543	4.0
133.09108	3.0
133.10115	52.9
135.08061	5.6
135.11649	2.1
137.05939	6.8
137.09605	36.4
139.11172	18.9
143.94543	1.8
145.04942	6.6
145.10091	3.1
147.04399	5.7
147.08009	2.7
147.11621	3.4
149.09596	4.3
149.13231	6.6
151.03870	15.0
151.11159	27.4
153.09099	29.3
155.10649	3.1
165.05469	2.8
167.06996	8.2
167.14297	22.8
168.22090	1.9
169.12262	5.7
173.13225	7.3
175.11153	2.1
179.14362	1.9
181.12228	32.0
185.08069	10.6
191.14305	31.2
195.10083	5.0
209.15352	100.0
210.15700	5.1
219.10098	15.8
221.15370	2.6
231.13541	2.4
233.15294	7.9
235.13245	2.0
249.12753	2.1
250.20317	2.0
263.16284	3.8
267.08292	1.9
313.16406	2.1
317.17569	2.8
329.54031	1.9
335.18481	4.9
339.12341	1.8
353.19687	2.4
371.15274	10.3
371.20819	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	371.2061
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
55.05488	1.9
57.90767	2.1
69.03429	4.3
69.40446	18.9
77.12903	2.2
77.71851	2.2
78.15124	1.8
79.05488	2.3
81.07033	3.9
85.02891	4.2
91.05463	3.7
93.06986	2.4
98.20867	6.8
105.07012	4.4
107.08590	10.9
109.06524	6.5
109.10130	4.2
119.08499	1.9
121.10172	10.1
122.07308	5.1
133.10121	100.0
135.08035	11.6
137.09607	58.1
149.13289	10.1
157.34666	2.1
167.23441	2.2
173.13264	7.2
191.14311	41.1
209.15366	8.7
268.29105	2.1
366.72281	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	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	6.1
59.04992	2.3
60.06572	2.9
63.65778	2.2
67.05495	6.2
69.03421	14.2
69.07066	9.2
69.40322	7.8
69.40746	15.9
71.04989	3.5
72.62714	2.6
72.89165	2.7
79.05499	3.6
81.03416	4.1
81.07053	11.7
83.04953	15.7
83.08609	4.9
85.02896	20.1
87.94942	2.7
89.74268	2.7
91.05505	3.3
93.07037	7.6
95.04968	10.9
95.08605	21.5
97.06511	4.3
99.08087	8.4
105.07011	6.1
107.08589	38.4
109.06524	10.2
109.10140	19.7
111.08097	5.2
119.08578	3.7
121.06520	5.3
121.10130	40.1
122.07239	2.8
123.08064	5.0
125.09618	15.6
131.08553	6.1
133.10135	16.5
135.08025	12.6
135.11676	5.2
137.09618	10.3
139.11206	8.0
147.11687	8.6
149.09628	11.6
149.13240	29.1
151.03912	2.8
151.11169	100.0
153.09160	3.5
163.14825	17.5
165.12729	10.3
167.18651	2.6
173.13239	22.0
191.14293	95.5
192.14656	7.2
209.15352	94.9
210.15634	3.5
285.61111	2.6
371.14755	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	371.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.05537	1.3
57.03418	1.8
61.02927	2.6
63.67827	1.4
67.05498	1.7
69.03416	14.4
69.07078	3.2
70.94287	4.1
74.45944	1.5
79.05463	1.7
81.03411	7.4
81.07047	2.1
83.04984	3.2
85.02898	28.8
91.05492	1.8
93.07056	2.1
94.79792	1.4
95.04977	3.2
95.08620	4.4
97.02905	7.0
105.06995	1.9
107.08598	13.5
109.02866	3.4
109.06518	4.9
109.10142	2.4
119.02611	1.3
119.08583	3.1
121.10136	9.8
123.08065	5.5
123.11712	3.3
127.03915	6.5
133.10156	4.1
135.08017	2.8
137.09622	12.9
137.13161	1.5
145.04938	6.2
147.11696	4.4
149.09634	7.3
149.13234	5.2
151.11192	15.1
165.12762	42.9
166.13051	2.9
173.13327	2.1
191.14307	16.1
209.15363	100.0
210.15758	4.2
243.93163	1.4
265.36621	1.5
331.20090	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
50.92366	2.1
53.03935	7.7
55.01862	7.4
55.05507	22.0
57.03432	7.7
57.07072	15.5
59.04993	3.0
61.02916	6.7
67.05504	21.0
68.75674	2.0
69.03430	45.1
69.07064	31.3
70.06551	3.2
70.80544	6.2
71.04983	9.2
71.08649	3.9
73.02889	6.2
73.04771	6.1
79.05493	26.1
79.16534	2.1
81.03419	22.2
81.07054	75.4
83.04979	33.2
83.08614	48.5
85.02900	74.2
85.06543	7.0
87.04463	4.2
91.05856	42.1
93.07038	40.7
94.46369	2.1
94.57418	1.9
95.04939	19.1
95.08609	22.5
97.02881	31.5
97.06525	33.6
97.10167	5.2
99.04453	10.7
103.03924	3.9
104.31805	2.1
105.07019	22.1
107.08588	55.7
109.02880	30.7
109.06511	96.9
109.10152	71.3
111.04427	4.5
111.08086	20.3
113.09596	4.6
114.07476	2.5
117.07014	3.8
119.04949	5.1
119.08563	15.6
121.06506	8.2
121.09307	4.1
121.10142	56.3
123.04444	2.8
123.08077	13.0
123.11703	28.4
125.06005	3.8
125.09640	9.8
125.13256	11.1
127.03917	48.6
127.07540	4.9
129.05417	6.3
129.07018	2.6
131.08556	12.5
133.10124	48.1
135.08067	24.6
135.11693	8.3
137.05978	3.8
137.09673	5.3
137.13298	2.6
139.03943	3.3
139.07544	4.7
139.11182	12.8
143.03467	4.5
143.08534	2.9
145.04973	10.2
145.06447	3.0
145.10126	8.1
147.04396	22.9
147.06512	5.9
147.08023	3.0
147.11671	11.1
149.02339	4.2
149.09621	4.8
149.13260	43.3
151.07561	2.9
151.11140	15.5
153.01819	29.4
153.09113	18.8
158.10994	3.2
163.11124	3.3
163.14890	14.3
165.05478	2.5
165.12723	3.5
167.06992	4.7
167.14311	63.2
169.12201	5.0
171.10158	12.4
173.13263	29.8
175.14795	2.3
179.14369	2.8
181.12238	4.4
185.08008	3.9
187.06007	6.8
191.14304	100.0
192.14557	2.8
194.02107	10.4
205.07112	9.8
209.04434	46.4
209.07776	3.3
209.15361	66.0
210.04736	3.8
221.15440	2.5
227.16490	5.0
233.15361	5.6
267.00046	3.6
268.97903	12.8
275.16364	2.7
285.01062	12.0
303.02069	5.6
307.19244	2.4
317.17554	3.2
335.18564	4.2
353.19556	8.7
355.07068	14.9
371.13043	8.3
371.17084	4.9
371.20795	24.1
373.07864	3.4
393.00046	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	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
55.01880	5.4
55.05518	7.3
56.96564	5.2
57.03425	4.5
67.05492	11.4
69.03404	7.8
69.07066	10.3
69.96205	18.2
71.04987	8.6
79.05479	24.5
80.45162	3.1
81.03403	7.8
81.07057	32.5
83.04985	8.1
83.08639	4.8
85.02899	24.7
85.06517	3.7
91.05427	21.5
93.07033	20.8
95.04961	16.3
95.08587	20.7
97.02883	12.1
97.06541	6.2
99.04461	3.2
101.06010	4.2
103.05447	4.2
105.07028	48.0
107.04955	18.4
107.08595	19.6
109.02914	5.8
109.06546	8.7
109.10153	11.8
111.04420	3.5
111.08110	4.7
115.05445	4.7
117.06995	6.9
119.04947	14.5
119.08576	30.7
121.06517	10.1
121.10146	25.3
123.04421	54.3
123.08080	6.9
123.11729	4.1
124.05189	3.7
127.03918	9.8
128.06235	3.6
129.05463	3.9
129.07002	12.8
131.04912	8.0
131.08531	22.4
133.06468	10.5
133.10115	26.3
134.84778	3.4
135.04451	4.6
135.08054	9.2
135.11700	10.0
137.05956	29.2
137.09602	5.8
139.03947	6.5
143.08571	5.0
144.05699	4.5
145.04948	3.9
145.06433	4.7
145.10139	14.5
147.04416	36.8
147.06566	6.1
147.08028	5.4
147.11685	59.8
149.05968	10.2
149.13261	4.7
151.03886	100.0
151.07552	4.4
153.01825	12.8
156.05664	6.9
157.06508	7.4
158.10902	3.9
159.08047	7.8
159.11720	3.3
161.05965	9.8
161.13226	4.7
163.03922	10.2
163.14818	4.0
165.05479	21.7
165.12764	4.9
167.07024	63.7
173.13252	27.0
175.07532	12.1
175.14815	20.7
177.05493	14.6
179.07053	3.6
179.08542	3.6
181.04947	7.6
183.02827	4.0
183.06445	4.4
187.06065	3.3
187.07561	18.2
189.07162	3.4
189.09116	7.5
191.06903	7.2
191.10590	4.2
191.14310	30.1
193.08615	4.8
199.07480	5.7
201.09081	5.4
201.16519	3.8
206.07344	3.6
207.06425	5.1
209.15323	7.3
217.08592	21.1
218.07353	5.3
219.08066	3.9
219.10118	65.4
226.42130	3.4
230.41765	3.7
233.09615	9.3
234.06833	4.5
235.07455	3.9
247.07542	5.1
249.09106	10.4
251.06905	5.0
261.09244	9.1
262.06161	4.5
263.07080	7.7
265.08585	11.1
266.09317	6.3
277.08490	7.7
278.09424	7.0
279.06543	4.7
280.07291	5.1
281.08087	4.8
281.11404	3.2
285.07578	14.2
286.01474	3.7
291.48438	3.4
293.08316	4.9
293.11594	7.8
295.09540	5.1
300.09982	9.4
303.08502	7.9
309.07724	4.0
309.11096	8.3
311.09143	5.2
311.12695	7.1
313.10818	3.4
321.11270	14.1
323.09235	4.0
326.11533	4.0
339.12210	40.6
340.12518	7.4
341.13702	11.1
353.14005	15.5
371.11026	11.5
371.14902	63.4
371.20245	14.6
371.25174	5.6
371.29642	7.0
372.15207	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	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01870	0.8
55.05502	1.8
57.03421	1.3
57.07077	0.7
61.02918	1.5
65.03930	0.6
67.05502	1.9
69.03423	4.2
69.07063	0.6
69.65033	0.6
69.65445	3.3
70.06565	0.9
71.04987	4.3
73.04745	0.8
79.05525	0.5
81.03414	2.1
81.07047	1.6
83.04954	1.6
83.08614	0.9
85.02894	11.9
85.06531	1.6
87.04445	0.4
91.03937	0.6
91.05822	5.2
93.07037	2.2
95.04961	100.0
95.08617	1.1
96.04547	0.4
96.05308	1.8
97.02887	3.9
97.06544	0.9
99.04446	23.7
99.08060	0.6
105.07029	1.2
107.08579	1.8
109.02880	1.8
109.06511	1.5
109.10159	1.8
111.04449	0.7
111.08036	1.1
114.07401	1.0
115.07552	0.8
116.98510	0.4
119.04966	0.6
120.10859	0.5
121.02871	1.0
121.10136	3.3
123.04424	1.6
127.03899	3.5
129.05467	0.8
131.08571	0.7
133.10117	5.1
135.04384	0.5
135.08035	0.9
138.03040	0.5
139.03851	0.6
139.11151	2.1
145.04948	1.9
147.04405	1.9
147.06505	1.2
149.02344	6.5
151.11171	1.7
153.01822	1.1
153.09087	31.8
154.09419	1.1
162.64677	0.4
163.14841	0.6
166.02626	1.7
167.07053	0.7
167.14389	0.8
170.09665	0.8
173.13283	2.8
180.06506	0.5
181.04994	0.5
191.14307	4.2
193.15903	0.7
194.02095	16.6
195.02480	1.1
198.09169	1.8
205.07005	0.4
209.04428	66.9
209.15346	33.0
210.04755	3.5
210.15678	1.9
219.06668	0.6
239.08125	0.7
266.99658	0.5
268.97836	1.0
285.00916	1.7
295.96509	0.5
303.01965	0.8
332.57611	0.5
355.07010	2.4
371.09268	0.8
371.16611	2.0
371.20651	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.8
55.01838	1.4
55.05511	0.8
56.05006	2.0
57.03412	1.8
57.07068	2.8
58.07384	1.0
60.04501	2.2
61.02892	2.0
62.42704	0.4
63.22741	0.4
63.50528	0.5
63.58992	0.4
65.03924	1.0
67.05468	1.9
69.03428	4.6
69.97059	0.9
69.97472	1.9
70.06565	0.6
70.47008	0.5
71.04995	2.5
73.02894	1.5
79.05452	1.7
81.03416	2.6
81.07018	1.5
83.01292	0.5
83.04947	1.9
83.08563	0.8
85.02429	0.9
85.02895	11.4
85.06501	1.7
87.04430	0.8
91.05385	2.4
91.05776	3.3
93.07004	2.0
95.04959	47.9
95.08599	1.0
96.05286	1.2
97.02883	4.4
97.06496	0.7
99.04449	11.7
101.05986	0.7
103.05476	0.8
105.07057	2.6
107.04945	4.8
107.08578	2.8
108.05260	1.1
109.02878	2.3
109.06496	2.8
109.10121	1.6
111.04416	1.2
111.08070	0.7
115.05369	0.7
117.06987	0.7
119.04935	2.4
119.08543	1.5
120.81644	0.5
121.06461	0.7
121.10125	3.8
123.04401	3.0
123.08028	0.8
124.07548	0.6
124.80525	0.6
125.05965	0.6
127.03915	3.5
129.05435	0.8
131.04889	1.7
131.08522	1.6
132.05287	0.5
133.06474	1.2
133.10136	6.7
135.04396	1.8
135.08018	2.1
135.11661	0.7
137.05951	1.5
137.09654	0.8
138.03088	0.6
139.03903	1.0
139.11182	1.1
145.04910	1.4
145.06224	0.5
147.04396	8.1
147.06494	1.2
147.08072	0.6
147.11728	0.7
148.04768	0.9
148.07544	0.6
149.02347	5.4
149.05928	2.0
149.09572	0.7
149.13191	0.6
151.07521	0.7
151.11145	1.1
153.01878	0.7
153.05540	2.3
153.07904	1.0
153.09097	15.8
159.04253	0.5
159.10114	1.3
160.10487	1.2
161.05876	1.1
163.03859	3.0
163.07555	0.6
163.11134	0.5
163.14780	0.8
164.04214	0.5
165.05499	2.3
166.02451	0.8
167.06992	3.5
167.14287	1.4
173.13266	3.2
177.05493	4.0
177.11153	1.1
178.11595	1.0
180.06575	0.7
181.04872	0.8
182.09409	1.1
191.10564	0.5
191.14276	5.5
192.10118	1.0
193.08478	0.7
194.02094	21.9
194.09431	1.2
194.61053	0.5
195.02469	1.5
202.76245	0.5
203.05272	1.8
209.04430	100.0
209.13139	1.3
209.15335	20.8
210.04762	6.2
210.11221	0.5
217.08566	1.4
220.09702	1.7
268.97678	1.1
285.00949	1.4
293.15378	0.6
303.01953	1.1
303.97076	0.5
313.12634	0.7
320.34418	0.5
329.10013	0.7
355.06967	1.1
365.18991	0.6
371.13174	1.2
371.16769	26.8
371.20135	1.2
372.17419	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	371.2062
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
50.36391	1.2
53.03954	1.4
55.01867	2.1
55.05498	4.6
57.03436	2.4
57.07066	3.8
61.02907	2.7
67.05489	4.6
69.03422	11.1
69.07049	6.0
71.04988	7.9
71.59268	2.9
79.05479	5.0
81.03418	6.5
81.07059	14.0
83.04973	7.5
83.08605	8.1
85.02905	19.9
85.06539	4.4
86.03264	1.4
91.05397	2.3
93.07028	11.8
94.01237	1.1
95.04962	100.0
95.08599	4.5
96.05289	1.4
97.02886	8.2
97.03436	1.3
97.06504	3.8
99.04446	25.9
105.07008	5.6
107.08599	14.4
109.02870	7.8
109.06520	9.9
109.10155	7.2
111.08081	4.6
113.06017	2.1
119.08564	4.9
121.06532	1.4
121.10132	28.0
121.11005	1.5
123.04452	1.8
123.08047	2.1
123.11704	3.6
127.03906	9.3
131.07028	2.5
131.08524	2.7
132.07323	1.7
133.10101	8.3
135.08064	3.4
135.11697	3.0
137.09636	1.8
139.03879	2.0
139.11212	3.2
145.04939	3.2
145.08627	4.6
145.10094	1.9
146.08932	4.1
147.04425	2.3
149.13234	6.1
151.11188	3.7
153.09099	38.6
163.14832	6.9
165.05547	1.4
167.07036	1.9
167.14322	9.2
169.12225	2.6
173.13268	9.1
181.12253	2.9
189.71295	1.5
191.09012	1.8
191.14247	10.0
192.09549	2.4
205.07063	2.6
209.04460	3.1
209.15361	57.8
210.11076	1.8
268.97556	2.1
287.16293	1.5
305.31689	2.0
371.12854	1.7
371.16708	40.1
371.20599	4.5
372.17047	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	371.185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.8
67.05486	4.0
69.03422	16.3
69.07056	1.2
69.34106	12.1
70.06559	1.9
73.21818	1.1
79.05487	5.3
81.03414	2.2
81.07036	3.7
83.04964	2.3
85.02911	5.7
91.05434	9.7
93.07039	7.2
94.97865	1.4
95.04945	4.5
95.08601	5.8
97.02903	1.5
98.21003	4.8
99.04444	1.3
103.37988	1.2
105.07034	9.6
107.04953	3.9
107.08588	9.8
109.02869	1.8
109.06497	8.8
109.10123	2.2
115.05423	3.3
117.06998	5.9
119.04932	1.7
119.08582	10.8
121.06484	5.1
121.10132	7.7
123.04453	1.1
123.08077	1.8
128.06181	2.4
129.07010	2.8
129.65053	1.2
131.08542	5.2
133.06441	2.9
133.10088	6.7
135.04376	3.9
135.08060	8.7
135.11703	1.1
137.05960	2.4
137.09584	2.1
141.06985	1.9
143.08527	4.2
145.06447	2.8
145.10121	2.3
146.07162	1.2
147.08029	7.5
147.11719	1.3
149.09607	100.0
150.10042	1.1
151.03896	1.4
153.01797	1.7
153.07002	1.1
154.07701	1.2
155.08514	2.5
157.10088	3.5
159.08040	14.4
160.08270	1.1
161.05988	2.7
161.09579	6.8
163.03877	1.8
163.07535	8.2
165.05545	1.1
165.06985	3.1
167.06967	3.4
167.08553	1.6
169.10089	2.6
171.08031	3.7
173.09573	4.3
173.13208	2.8
175.07558	3.9
175.11191	2.2
176.91440	1.1
177.05443	3.3
177.09081	2.6
179.08536	3.1
181.10005	1.8
183.07991	1.5
184.08842	1.3
185.09656	6.1
187.11162	4.1
189.09071	1.6
189.12592	1.6
191.14320	8.4
192.09235	1.2
193.08574	2.7
193.10143	2.9
194.10861	1.7
195.08003	3.2
195.11641	3.6
196.08713	1.4
197.09615	5.9
199.07632	1.1
199.11107	3.3
203.08603	1.4
203.10611	1.6
207.11633	3.1
208.13292	1.6
209.09564	4.3
209.11539	1.8
209.13518	6.1
209.15359	18.2
210.10385	2.7
211.11095	4.2
213.09106	1.6
213.12663	2.8
215.10678	3.3
217.10219	1.8
217.12137	2.1
219.08025	1.1
221.09569	2.1
223.11154	5.1
223.14735	1.5
225.12631	5.4
227.10628	1.9
235.11230	2.5
236.11925	2.8
237.12584	3.0
241.12111	2.4
247.14914	1.4
251.10532	1.5
251.14323	2.5
253.12228	6.9
255.13861	1.8
259.13126	1.3
265.15952	8.3
269.11911	1.6
269.15378	1.4
275.14264	2.0
278.13040	2.4
281.15213	2.8
283.16901	5.4
285.00769	1.4
293.15259	12.0
298.98914	1.2
311.12756	2.0
311.16357	27.6
329.17358	5.9
337.18997	1.2
353.17352	2.1
371.17645	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	371.1851
Annotation	3,17beta-Diacetoxyestra-1,3,5(10)-trien-6-one
Peak:m/z	Relative Intensity
55.01856	2.1
55.05505	2.7
66.19745	2.3
67.05493	4.4
69.03425	25.4
69.07084	3.4
71.60003	4.3
71.60394	2.3
74.07433	2.4
78.78848	2.0
79.05476	6.8
81.07057	9.8
83.04961	5.6
91.05472	11.2
93.07031	8.7
95.04954	9.9
95.08585	5.5
97.06525	2.8
97.08242	2.2
105.07037	12.2
107.08591	9.9
109.06567	11.3
115.05428	3.9
117.07063	5.7
119.08597	20.1
121.06500	12.8
121.10150	5.3
123.08050	5.7
128.06207	2.2
129.06979	3.9
131.08551	9.4
133.10104	3.3
135.08063	14.7
141.07089	2.7
142.07716	2.7
143.08551	10.3
145.06483	6.2
145.10098	6.6
147.06990	2.7
147.08034	18.0
149.09624	6.4
153.07014	3.2
155.08492	2.8
156.09366	2.7
157.10141	7.9
159.08041	30.3
159.11678	3.3
161.09615	9.7
167.08586	3.0
169.10162	7.3
171.08067	7.3
172.08957	2.8
173.09645	7.6
175.07552	3.4
175.11234	8.6
177.09119	5.4
179.08589	5.1
180.09346	3.5
181.10007	2.9
183.08078	4.2
183.73642	2.1
185.09605	9.6
187.11238	6.8
189.09154	4.5
191.08719	2.7
193.10129	5.8
195.08102	6.7
195.11752	8.2
196.08818	2.8
197.09566	15.3
197.13280	3.0
198.10324	3.2
199.11084	5.1
201.09216	2.8
203.10588	5.0
207.11664	6.1
209.09647	9.1
209.13271	3.4
210.10403	5.5
211.11230	7.6
215.10732	7.3
221.09598	4.2
222.10329	2.7
223.11145	9.8
224.12125	3.2
225.12740	13.1
227.10698	2.6
232.12614	2.7
235.11255	6.5
236.11926	5.0
237.12756	6.9
245.09685	3.1
247.14783	5.7
250.13518	3.7
251.10594	3.8
251.14255	3.4
253.12244	15.3
255.17609	2.9
260.11948	5.1
263.10760	3.4
263.14304	4.3
265.15851	15.8
275.14386	3.4
278.12976	3.2
281.15427	5.7
283.16827	11.2
293.15347	30.9
311.12775	4.9
311.16400	100.0
312.16672	3.7
329.17477	29.6
353.17468	4.2
371.18393	9.6
372.59970	2.4
373.21286	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	371.1488
Annotation	Exiguaflavanone K
Peak:m/z	Relative Intensity
51.18875	2.6
53.03917	2.5
55.01854	6.5
55.05504	9.6
56.96572	4.0
57.07083	3.0
61.02907	2.6
63.36252	2.7
67.05500	16.7
68.99770	3.3
69.03428	20.7
69.07058	10.8
70.51373	9.1
70.51747	4.8
71.04979	6.7
77.03922	2.8
79.05489	17.4
81.03405	10.6
81.07058	26.1
83.04982	5.9
83.08623	3.7
85.02902	37.6
85.06548	4.1
91.05395	17.2
93.07050	20.9
95.04966	22.1
95.08603	31.4
97.02884	11.3
97.06475	4.9
99.04460	6.4
101.06009	3.3
103.05446	6.1
103.35961	2.6
105.07024	18.8
107.04947	31.7
107.08593	42.7
109.02850	8.5
109.06511	14.0
109.10167	12.2
111.04474	4.7
111.08129	4.4
115.05418	3.3
117.07045	4.5
119.04934	30.2
119.08578	10.5
121.06493	11.5
121.10147	16.4
123.04423	100.0
123.05318	5.2
123.08050	27.4
123.11683	5.4
125.06024	3.3
127.03912	10.8
128.06140	2.9
129.05463	2.8
129.06947	4.0
131.04901	3.6
131.08565	11.9
133.06464	6.0
133.10118	23.8
135.04414	9.4
135.08049	17.4
135.11681	10.3
137.05977	31.0
139.03880	7.5
143.04897	4.7
143.08582	3.7
145.04970	4.1
145.06532	3.2
145.10110	7.9
147.04404	55.1
147.06435	4.1
147.11694	7.6
148.05167	3.3
149.05954	7.2
149.09648	5.9
149.13278	7.5
151.03905	59.3
151.07559	9.5
151.11160	11.0
153.01816	7.2
153.07031	2.7
153.09178	5.4
156.05571	3.4
157.10149	6.3
159.08064	9.1
159.11700	3.3
161.05942	11.4
161.09561	4.0
163.03896	21.8
163.11113	4.5
163.14778	12.4
165.05469	43.6
165.09132	3.4
167.07018	36.7
169.10095	3.7
173.06026	5.4
173.13181	12.9
174.06720	6.6
175.03903	4.8
175.07530	6.6
176.04639	17.2
177.05460	27.1
181.04976	6.7
187.07538	11.9
189.05446	10.0
191.06973	5.7
191.08607	2.5
191.10620	6.6
191.14296	59.3
193.08612	7.3
203.08749	3.1
205.08617	5.0
207.06430	5.0
209.15356	86.4
209.17351	4.1
211.07266	2.9
211.09245	2.8
217.08617	24.2
217.12151	3.2
219.08237	4.7
219.10158	86.5
226.06360	3.5
231.10147	5.7
233.09702	3.4
234.06607	3.3
234.68913	2.9
235.07506	5.5
238.09601	3.7
239.07014	3.8
241.08517	6.2
247.09688	3.6
249.09131	7.4
251.07132	3.6
251.10625	3.1
255.06551	5.9
257.08060	10.9
261.09094	12.8
263.06934	3.3
265.08542	4.2
267.06451	4.5
277.08563	10.1
278.09143	6.3
279.10156	3.7
285.00806	3.0
285.07578	19.3
286.08057	4.0
289.08646	3.9
292.07095	2.7
293.11746	4.0
295.09848	3.7
296.10300	2.7
297.11108	4.5
299.12823	6.7
300.10046	14.3
301.10660	4.8
303.08533	6.7
307.09702	5.8
309.11169	9.6
311.09195	6.3
311.16287	5.8
313.10623	5.9
321.11118	9.3
323.09024	3.3
326.11475	5.4
327.12289	5.5
329.10159	8.2
335.18710	6.4
339.12302	10.0
341.13907	7.1
353.13672	26.2
371.07407	9.1
371.14883	63.8
371.20450	23.2
372.15216	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	371.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01855	1.5
56.96553	1.7
57.03434	2.6
57.32012	1.6
61.02924	3.5
69.03413	10.4
69.87101	8.8
70.02939	2.0
73.04749	4.0
74.02427	13.0
79.86501	1.4
81.03416	3.2
83.24834	1.6
85.02410	3.1
85.02898	32.6
88.04005	3.5
91.05816	18.0
94.06561	86.6
95.04967	2.3
97.02885	9.8
98.21397	2.2
98.97569	1.9
99.00816	11.4
99.04449	2.7
104.04977	5.5
106.06563	2.1
109.02871	3.8
115.03903	3.2
116.03455	1.4
118.06531	33.9
119.01897	1.7
120.04456	26.5
127.03903	8.1
128.07118	2.0
130.06531	4.1
132.04449	4.6
132.08076	5.3
136.06187	3.0
136.07570	44.3
136.08543	2.8
139.03821	1.7
145.04980	3.2
146.06003	61.0
147.06377	3.3
150.05493	19.0
153.01808	8.1
156.04468	2.9
156.33786	1.7
158.05910	3.7
160.07596	2.7
163.08693	8.2
164.07086	6.7
170.06023	8.4
174.05505	21.5
178.08685	2.3
184.07603	4.9
186.05469	2.0
186.09120	2.0
188.07135	4.6
189.22095	1.5
190.05026	4.7
192.06546	99.9
193.06966	1.8
196.07611	5.8
198.05498	2.4
202.08598	2.9
209.09209	100.0
210.09492	1.8
212.07037	3.0
214.08652	2.9
216.06680	1.9
221.61908	1.8
224.07068	1.7
226.08598	3.1
233.09166	2.5
234.07603	6.1
236.06999	1.8
244.09619	3.7
251.10298	3.0
254.08342	2.5
262.10828	4.9
268.97809	3.9
270.07608	11.9
273.12048	1.8
280.12009	2.6
282.07684	1.8
285.00919	5.2
300.08630	4.1
312.92270	1.9
318.09656	15.2
335.12381	6.1
336.10574	9.4
353.13556	3.7
353.65149	1.8
355.06949	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1123
Annotation	Propacin
Peak:m/z	Relative Intensity
53.03939	1.4
54.65845	0.5
55.01860	2.7
55.05495	1.8
57.07062	0.7
65.03946	1.1
67.05508	2.9
67.54803	0.6
68.99765	0.7
69.03425	0.9
69.07043	2.2
70.76618	2.1
77.03940	0.9
77.99744	0.6
79.05492	8.9
80.05826	0.6
81.07056	4.8
83.04981	1.6
83.08604	0.8
86.28545	0.6
89.03912	0.8
90.45352	0.6
91.05427	5.9
93.07063	3.4
95.04965	4.5
95.08607	4.0
97.10174	0.8
102.04715	0.9
103.05466	8.3
104.06237	0.9
105.03416	0.9
105.07023	37.8
107.04933	4.4
107.08578	2.5
109.06514	1.7
109.10140	2.3
115.05443	9.1
116.06225	1.6
117.06995	1.9
118.04139	3.5
119.04940	5.4
119.08570	2.3
121.02864	1.3
121.06486	3.2
121.10146	2.1
123.04426	11.0
123.11671	0.9
125.09636	1.0
128.06258	0.7
129.05443	0.7
129.06984	1.5
131.04915	5.7
131.08575	1.7
132.05664	1.8
133.02850	12.0
133.06482	24.1
133.10141	1.3
134.07268	0.7
135.04398	1.8
135.08026	1.1
135.11694	0.9
137.05975	6.0
137.09595	1.1
143.04903	1.7
143.05988	1.3
144.05782	0.8
145.10135	1.8
146.03586	1.1
147.04407	8.8
147.08049	1.7
147.11676	1.8
149.02351	2.5
149.05991	2.4
149.09570	0.7
149.13249	0.9
150.06744	0.9
151.03909	6.0
151.07510	3.4
151.11118	0.6
157.06502	0.6
157.10109	1.1
159.08043	1.2
159.11688	1.0
159.91740	0.7
160.05135	0.8
161.02394	1.0
161.05978	11.0
161.09663	1.0
161.13353	0.7
162.06699	1.7
163.03888	4.9
163.07494	2.8
164.08250	1.0
165.05455	4.6
165.09113	2.6
167.07031	15.0
169.10199	0.6
173.13254	1.1
175.03897	2.1
175.07564	2.0
177.01860	2.0
177.05475	4.0
177.09196	0.7
178.02605	1.0
178.06227	3.8
179.03386	33.9
179.07007	8.4
180.03746	0.7
180.07779	1.0
181.05009	0.9
187.07530	2.2
187.14755	0.9
189.05557	1.3
189.07129	0.7
189.09064	0.6
189.16373	0.7
191.07092	1.2
193.08586	25.5
194.09375	81.1
195.09792	2.4
199.07617	0.6
203.03380	29.1
204.03693	1.5
206.07349	0.7
207.02849	4.7
210.08920	0.8
217.04955	3.3
217.08588	2.1
218.07143	0.9
219.10085	1.0
237.05464	0.9
261.09064	1.3
265.04962	1.4
265.08417	0.9
277.08673	0.7
279.06467	0.8
281.11710	0.9
289.08630	0.8
293.08289	1.1
293.11716	1.6
297.07547	0.9
309.11203	1.1
317.24765	0.8
321.11075	1.5
335.25897	1.0
338.07901	0.8
339.12286	2.1
341.13910	1.1
353.13834	1.7
371.11200	100.0
371.14746	4.9
371.29626	1.6
372.11575	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	371.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01870	2.1
55.05511	2.5
57.03430	2.6
59.05014	1.5
59.37997	1.3
61.02917	3.0
67.79403	1.4
69.03411	9.8
69.07069	1.9
70.06588	3.2
70.09682	6.0
71.62389	1.4
73.02887	2.8
73.04744	13.1
74.06051	1.3
76.07624	3.9
81.03400	3.0
83.04963	2.5
84.04513	1.7
84.08137	2.5
85.02905	16.6
86.03200	1.4
86.09698	20.0
87.04452	6.2
87.09495	1.9
87.10019	10.8
91.05791	100.0
93.03692	4.9
94.61774	1.3
97.02890	16.0
98.97587	1.8
99.04427	2.9
101.06045	1.9
107.04887	1.3
109.06815	2.1
110.07164	5.5
111.04446	2.0
114.07346	5.4
116.98567	1.8
119.01849	1.9
122.06014	2.1
127.03905	4.3
129.05464	4.5
132.10184	13.4
133.10522	6.3
134.06108	1.8
136.06169	23.7
138.05540	1.8
141.76604	1.3
145.04939	3.1
146.06096	1.6
147.04417	1.9
147.06476	6.7
148.07478	1.7
150.05499	18.0
153.01796	4.7
156.07669	3.8
157.08064	2.5
160.48047	1.6
162.05417	1.8
163.04364	1.2
164.07039	2.9
167.05547	6.2
169.03455	3.8
170.06194	1.7
178.04872	2.7
193.07137	2.7
197.04739	2.5
197.06462	1.6
209.09206	6.3
245.05095	1.9
265.07834	1.5
266.99774	4.0
268.97836	21.7
270.95883	1.7
277.03442	1.4
278.46127	1.3
283.02985	3.6
285.00946	35.0
286.01151	2.2
299.06082	5.0
303.01932	13.1
355.06979	33.7
371.05759	1.4
371.14447	2.8
371.18314	1.7
372.12512	1.8
373.08029	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	371.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	6.9
53.27404	5.4
57.03430	8.4
61.02911	12.4
61.06555	5.8
69.03412	32.0
71.05236	11.1
71.05552	6.2
73.02889	15.0
81.03385	10.2
85.02901	80.8
91.03928	7.8
94.06545	18.9
96.72268	5.7
97.02876	31.9
98.97565	25.7
99.04427	6.6
111.04439	7.0
116.98612	12.7
118.06538	7.8
119.01814	16.2
120.04426	9.2
124.74091	6.1
127.03885	31.9
128.98665	6.9
131.13680	5.6
136.06166	39.2
136.07559	14.4
137.05988	16.2
140.02266	6.5
145.04929	16.9
146.05992	8.1
147.04343	7.8
150.05472	13.0
153.01828	22.3
155.02859	12.6
158.99666	13.0
161.02904	12.4
170.99606	8.1
174.05475	8.3
174.96730	6.1
177.00670	18.2
179.03374	5.6
182.03386	9.0
189.00711	14.2
191.03838	18.2
192.06567	23.6
200.04396	57.4
200.54652	9.3
201.00659	6.1
207.01671	8.2
209.04878	6.3
209.09229	33.7
219.01732	13.5
239.28928	5.6
245.04860	8.4
279.03894	8.4
281.07275	35.4
281.57562	6.4
371.07254	100.0
371.11356	9.8
372.07446	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	371.0971
Annotation	Fraxin
Peak:m/z	Relative Intensity
53.03936	0.2
55.01867	0.2
55.05496	0.3
57.03435	0.4
61.02922	0.6
69.03423	1.4
70.06590	0.2
71.04987	0.2
71.59836	0.1
71.78008	0.2
73.02925	0.3
73.04757	0.3
79.05486	0.2
81.03410	0.9
82.04204	0.3
83.04986	0.3
85.02896	3.0
87.04475	0.2
88.53633	0.1
91.03928	0.2
91.05857	1.4
93.07041	0.2
95.04941	0.3
97.02892	1.4
99.04433	0.2
107.04955	0.2
107.08612	0.2
109.02891	0.6
110.03591	0.2
110.07125	0.1
111.04427	0.2
114.07349	0.2
119.04916	0.7
121.02839	1.0
121.10117	0.3
123.04413	0.5
125.02286	0.2
127.03928	0.8
131.01247	0.2
133.10156	0.3
135.04440	0.2
137.05959	0.2
138.03099	0.8
139.03986	0.2
145.04965	0.2
147.04385	1.8
147.06488	0.4
149.02332	9.5
150.02614	0.2
153.01773	0.3
153.05453	0.5
153.09058	0.2
163.03900	0.3
165.05487	0.2
166.02602	2.1
167.06976	0.2
177.01828	0.4
180.06580	0.2
181.04929	0.9
194.02094	23.8
195.02394	0.7
209.04431	100.0
210.04778	2.6
268.97778	0.3
270.20126	0.2
285.00919	0.6
355.06909	0.6
371.09387	1.8
371.16843	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1649
Annotation	(-)-8-Oxotetrahydropalmatine
Peak:m/z	Relative Intensity
53.03935	0.4
54.03475	0.4
55.01888	0.4
55.04268	0.4
57.57178	0.3
58.06601	0.4
60.67923	0.3
68.99800	0.9
69.03421	0.5
69.36024	2.3
69.36438	0.6
70.06590	100.0
71.06921	1.1
79.05479	0.7
80.04745	0.3
81.03432	0.4
81.07070	0.5
85.02905	1.7
86.03224	0.3
91.05491	0.9
93.07040	1.0
95.04956	0.8
98.20780	0.7
103.05476	1.2
105.03376	0.4
105.07045	1.0
107.04955	11.8
109.02871	0.4
109.06515	0.6
111.04453	0.3
121.06490	3.0
123.11707	0.8
124.12028	0.7
131.04929	0.7
135.04413	1.8
137.09595	0.6
138.09970	0.6
142.00014	0.3
147.08005	0.4
149.05981	12.1
159.04494	0.5
161.05946	0.5
165.05476	0.7
173.05986	0.8
175.07539	0.6
177.05463	55.0
178.05803	1.4
190.13051	0.8
191.07123	0.4
207.06538	1.3
207.13776	1.2
208.14159	1.7
218.72774	0.3
226.15198	0.4
234.11270	4.4
313.10681	10.0
314.11005	0.6
317.25342	0.3
322.88556	0.4
352.18057	0.6
370.16425	48.4
371.16748	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	370.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
55.01865	1.5
55.05510	1.7
57.03432	1.7
57.07072	13.9
59.04998	100.0
60.05327	1.2
61.02918	1.6
67.05518	1.0
69.03420	5.4
69.07064	1.6
71.04989	1.0
71.61800	1.1
73.02863	0.7
77.06057	0.7
79.05489	3.2
81.03407	3.1
81.07062	3.0
83.08649	0.7
84.82900	0.6
85.02897	14.6
85.06518	0.6
87.04479	0.8
91.03967	0.8
91.05399	3.1
93.07060	2.6
95.04962	1.8
95.08620	2.0
96.29080	0.6
97.02873	4.0
97.06554	2.2
97.10143	0.8
99.04466	1.2
103.05492	1.2
105.07024	3.7
106.04193	0.7
107.04942	3.8
107.08617	3.0
109.02888	1.6
109.06535	1.5
109.10165	1.8
111.08114	1.0
111.48406	0.6
115.05470	1.0
115.11206	30.1
116.11574	1.0
117.06998	1.1
117.09182	1.1
119.04961	2.5
119.08589	2.4
121.06534	1.5
121.10159	2.1
123.04427	7.2
123.08057	0.9
124.05193	0.7
127.03951	2.5
128.06274	0.8
129.07036	1.2
131.04950	0.8
131.08629	1.4
132.05710	0.7
133.06544	2.4
133.10153	2.3
135.04446	1.6
135.08099	1.6
135.11658	1.1
137.06009	3.0
137.09666	1.5
139.03888	1.1
143.08549	0.9
145.04977	1.9
145.10164	0.9
147.04408	4.0
147.08098	1.4
147.11703	1.1
149.06000	1.5
149.09802	0.7
149.13237	0.9
151.03885	6.4
153.01923	1.6
157.06581	0.8
159.08072	1.8
160.05267	1.0
161.05986	3.9
163.03949	1.7
163.07611	0.7
163.11249	1.0
163.14908	0.6
165.05566	1.7
165.12776	0.8
167.07030	19.7
167.08379	1.2
172.05191	1.1
173.13255	0.9
173.13995	0.8
173.15358	5.8
175.07565	4.2
175.11209	1.7
177.05566	2.3
179.07054	0.9
187.07526	6.0
189.05556	1.2
189.09021	0.7
190.13234	0.9
191.07126	2.3
191.14490	4.9
191.16403	46.4
192.16888	1.1
193.08650	2.0
199.07552	1.9
203.08644	1.2
204.14163	0.7
207.06506	1.1
207.13824	5.5
208.07993	1.5
208.14153	10.5
209.08197	0.9
209.15376	7.0
217.08664	1.5
219.06488	0.8
219.10117	6.5
221.09639	1.4
223.07622	0.9
231.08151	1.1
233.09680	1.0
234.06830	1.7
235.07565	0.8
246.06871	1.3
247.07637	1.0
249.09172	1.7
251.06995	0.7
261.09259	2.1
263.07184	0.8
265.08762	0.8
277.08624	1.8
278.09406	1.5
281.11923	1.7
289.08643	1.1
293.11740	1.1
295.09622	0.7
300.10034	0.7
303.08591	0.8
309.11389	3.0
321.11450	2.2
326.11823	0.9
339.12466	1.9
341.13718	3.2
343.11716	0.9
343.15625	0.8
353.13977	1.9
370.09662	1.2
370.14081	2.3
370.19720	2.7
371.07468	0.9
371.15359	5.6
371.20795	0.9
393.21091	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01872	3.6
55.05511	14.5
55.65860	0.7
57.03433	11.3
57.07074	11.2
59.61145	0.8
67.05500	26.5
69.03437	2.2
69.07063	14.5
69.27840	8.7
71.04984	4.8
71.08604	1.0
79.05491	13.6
81.03411	6.1
81.07051	30.7
83.04974	7.0
83.08608	7.3
85.02908	4.3
85.06533	3.1
85.10181	22.6
91.05473	14.0
93.07039	15.7
95.04971	10.1
95.08043	0.5
95.08598	17.5
95.09167	1.6
97.06565	3.8
97.10182	4.4
105.07024	14.0
107.04946	3.0
107.08594	14.3
109.06544	4.1
109.10151	25.4
111.08058	1.3
113.05989	0.9
113.09641	24.0
117.06973	1.3
119.08572	5.5
121.10135	7.7
123.08090	4.2
123.11722	4.5
125.09620	1.8
126.32903	0.8
127.07512	1.0
129.06998	2.0
131.08572	3.6
133.10123	13.0
135.08052	1.3
135.11649	1.9
141.12741	1.8
143.08536	1.1
145.10112	2.9
147.11652	5.9
149.09567	4.7
149.13316	1.0
151.11169	5.2
153.12766	1.2
155.10648	0.8
157.10123	1.4
159.11670	1.1
161.09578	1.1
161.13249	1.8
163.11195	3.4
165.12729	24.0
169.12192	5.1
171.11717	1.4
175.14891	0.9
177.16495	0.7
179.14348	2.5
181.12169	1.1
182.74350	0.8
189.11153	1.5
189.12737	0.9
190.95406	2.4
193.15894	1.2
206.91510	0.7
207.13773	2.6
208.96489	0.8
231.21094	1.2
232.96455	2.2
249.22116	1.2
250.97572	3.3
259.20569	3.6
277.21609	50.9
278.22092	2.3
295.22665	100.0
296.22937	2.2
307.35211	0.8
345.50171	0.9
351.25317	2.5
369.26389	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	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06955	1.2
53.03939	2.2
55.01873	10.8
55.05509	59.9
57.03186	1.8
57.03436	22.6
57.07054	4.3
65.03925	1.9
65.67725	1.2
67.05501	59.5
69.03401	2.8
69.06721	2.1
69.07065	29.0
69.07638	1.3
70.62090	2.4
71.04980	4.2
71.08627	43.4
78.62353	1.2
79.05057	2.1
79.05487	29.6
81.03404	4.2
81.07052	76.7
83.04971	11.7
83.08613	48.6
83.09113	2.2
85.02964	1.5
85.06544	5.9
85.10201	6.0
91.05476	30.7
93.07037	37.1
95.04958	10.4
95.08603	34.7
97.06514	14.2
97.10148	5.2
99.07474	2.3
99.08084	32.3
105.07024	30.9
107.04922	1.6
107.08581	23.9
109.06514	7.3
109.10147	12.5
111.08075	23.2
113.09625	10.0
117.07024	3.0
119.08582	24.5
121.10135	21.1
123.08056	5.7
123.11704	14.1
125.09652	3.1
127.07565	2.2
127.11225	2.8
129.06987	4.4
131.08563	5.9
133.10117	18.6
135.08084	1.6
135.11707	10.0
137.09659	2.8
139.11157	7.2
143.08560	2.5
145.10097	5.3
147.08086	1.5
147.10507	2.1
147.11676	35.1
149.09601	5.8
149.13255	18.5
151.11179	14.8
151.14815	2.2
157.10147	7.0
159.11668	3.2
161.09598	1.6
161.13252	11.8
163.11169	7.4
163.14795	1.9
165.12730	24.7
167.14331	3.6
171.11688	3.8
173.11754	1.7
173.13242	1.8
175.11179	4.9
175.14822	4.4
177.12773	2.3
177.16281	1.4
179.14314	9.3
181.12177	1.3
185.13268	1.6
189.12782	1.7
190.95392	1.9
191.14407	1.7
193.12212	1.8
193.15848	1.5
195.13786	2.5
203.14453	1.8
207.13803	1.7
221.15373	2.1
231.21014	4.2
232.96442	2.8
241.19508	4.8
249.22168	4.9
250.97435	1.5
259.20535	9.4
277.21597	63.3
278.21872	1.6
295.22687	15.4
351.25299	12.7
369.26334	100.0
370.26624	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16120	1.3
53.03932	2.9
54.44754	1.2
55.01868	3.4
55.05506	8.1
56.36741	1.2
57.03420	5.1
57.07061	1.7
59.04977	2.2
61.02913	5.5
65.37235	1.3
67.05505	7.1
69.03422	25.4
69.07064	4.8
70.06586	1.8
71.04977	5.3
71.60420	2.7
72.44199	1.3
73.02898	3.8
79.05490	6.2
79.81398	1.4
81.03413	10.6
81.07045	4.1
83.04980	7.4
83.08615	2.6
85.02901	35.1
85.06533	6.1
91.05479	8.8
93.07035	9.6
94.60382	1.3
95.01313	2.3
95.04966	5.3
95.08603	29.0
97.02887	15.3
97.06536	1.9
97.10155	2.0
99.04447	5.8
99.08081	5.5
105.07021	18.5
107.04956	3.1
107.08601	13.6
109.02868	5.0
109.06503	11.6
109.10143	5.7
111.04433	2.7
111.08073	2.0
113.05984	3.6
113.09679	1.8
117.06998	3.1
119.04916	3.3
119.08566	19.7
121.02754	1.9
121.06520	5.7
121.10119	11.0
123.04432	3.5
123.08059	10.3
123.11642	1.6
127.03895	10.0
127.07561	3.7
129.06934	1.6
130.07837	1.6
131.08582	10.9
133.06479	4.9
133.10103	11.6
135.04405	3.1
135.08044	5.6
135.11662	4.0
137.05972	4.7
137.09621	4.4
139.07587	1.6
143.08598	4.1
145.04967	7.2
145.06398	2.6
145.10100	9.3
147.04372	1.5
147.08038	9.5
147.11633	6.7
149.05988	2.8
149.09605	11.5
149.13278	1.6
151.07526	33.3
151.11186	1.8
154.94083	1.4
156.09354	4.5
159.08003	2.2
159.11687	2.0
160.08879	1.9
161.05951	1.7
161.09631	8.5
161.13249	8.7
162.03207	1.5
163.07574	2.4
163.11171	30.7
165.09099	1.5
165.12715	2.7
170.10904	1.4
171.11635	7.2
173.13271	2.6
174.10435	2.3
175.07611	2.3
175.11166	5.0
177.05518	2.0
177.09070	1.4
177.12766	3.0
179.10754	1.7
179.14345	2.0
181.08578	2.0
181.12331	1.4
185.04265	1.7
185.13255	1.6
187.11163	3.6
189.09106	5.6
189.12720	35.5
190.02559	2.1
190.13107	1.5
191.10678	5.8
191.14301	36.1
192.14546	1.5
193.12244	1.7
201.12573	2.1
203.10695	2.5
207.06525	1.8
207.09949	22.0
207.13785	100.0
208.14206	4.4
217.12294	1.5
219.13869	3.4
223.05986	8.5
231.13747	7.2
237.14845	13.4
245.15355	1.6
247.13202	1.9
249.14748	6.4
261.14780	1.8
273.14905	3.9
303.15857	1.8
307.15448	3.3
333.16913	3.4
351.18048	8.7
369.14984	17.1
369.19095	37.9
370.19519	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12931	0.5
53.03927	1.5
54.60591	0.5
55.01848	1.6
55.05503	1.8
56.37505	0.6
57.03423	2.7
59.04976	1.1
59.98872	0.5
61.02918	3.0
67.05486	2.1
69.03074	0.9
69.03423	12.6
69.07050	2.4
70.30164	0.6
71.04965	1.5
71.13253	0.5
71.13639	1.3
73.02895	0.8
79.05490	2.7
80.65411	0.5
81.03414	3.9
81.07057	3.4
83.04974	6.8
85.02895	21.6
85.06499	0.7
87.04448	0.6
91.05467	4.4
93.07044	5.1
95.04942	1.7
95.08598	4.4
97.02878	5.4
97.06487	0.8
98.54745	0.6
99.04456	1.1
103.05486	0.8
105.03371	0.8
105.07021	23.4
106.07327	0.6
107.04929	2.0
107.08582	4.4
109.02852	2.0
109.06509	4.2
109.10168	1.1
111.08065	1.1
115.05435	1.1
117.07005	3.0
119.04919	2.5
119.08569	14.1
121.06470	3.2
121.10120	4.8
123.04418	0.9
123.08074	3.3
127.03888	3.4
128.06210	0.9
129.06969	1.5
130.07741	1.3
131.08560	3.8
133.06490	5.0
133.10120	5.4
135.08049	2.7
135.11674	2.1
137.05981	1.0
137.09592	1.7
143.08508	2.9
145.04956	2.4
145.06461	1.2
145.10110	10.2
146.07278	0.9
147.04399	1.2
147.08028	6.4
147.11679	11.8
149.06067	0.6
149.09616	1.8
151.07512	7.5
156.09308	3.9
159.08018	1.0
159.11668	8.0
160.08827	2.4
160.27460	0.6
161.05977	0.9
161.09621	7.7
161.13229	5.8
162.10371	1.0
163.04031	0.7
163.05794	0.6
163.11165	28.3
171.11684	4.8
174.10324	1.4
176.11925	1.1
177.05508	1.1
177.12727	24.0
189.12721	9.7
191.14285	1.4
207.06505	1.8
207.13785	100.0
208.14113	2.1
227.02298	0.7
270.85077	0.6
290.61859	0.5
298.31464	0.6
345.70657	0.6
369.13599	1.7
369.18878	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	369.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40561	2.0
52.32570	2.2
53.03938	7.1
55.01869	2.5
55.05502	5.2
57.03429	5.1
57.17614	1.8
61.02906	5.5
69.03422	32.8
69.07054	4.4
70.95628	2.3
70.95975	4.0
71.05001	2.5
71.89671	1.7
73.02914	3.4
79.05497	9.0
80.18808	1.8
81.03407	8.3
81.07051	5.3
83.04969	7.4
85.02898	45.5
87.04469	3.6
91.03960	3.0
91.05485	4.9
93.07037	13.4
94.48808	1.6
95.04932	4.4
95.08591	3.4
97.02884	15.0
99.04427	3.2
100.49407	2.0
103.05455	3.0
105.07034	14.8
105.38011	2.3
107.04945	2.1
107.08601	9.0
109.02869	6.0
109.06538	5.3
117.06955	3.5
117.52431	1.8
119.08607	12.2
121.06529	12.3
121.10136	8.2
123.08064	9.1
127.03896	7.9
131.08542	5.3
133.06479	96.8
133.10129	7.2
134.06824	3.2
135.08022	6.4
137.05998	2.6
137.09593	4.1
145.04933	7.4
145.10144	3.3
147.08044	6.3
147.11687	5.0
149.09668	2.1
151.07520	4.9
156.09341	3.0
158.10873	2.3
159.08075	2.1
159.11708	3.9
161.09589	6.1
161.13225	11.3
163.11151	12.2
171.11653	2.4
173.13269	4.0
174.10442	3.9
178.44490	1.7
179.14290	2.3
181.87915	1.8
184.50569	1.6
189.12727	55.5
190.13080	2.5
191.14310	45.6
191.16039	2.2
207.13782	100.0
351.17603	3.2
369.06033	5.7
369.14841	3.4
369.18909	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	369.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.01849	1.5
55.05491	0.9
57.03428	2.8
57.07066	1.2
59.04995	1.7
61.02915	4.1
62.74537	0.6
69.03425	25.7
70.85419	1.4
70.85784	1.5
71.04972	2.0
73.02892	2.1
79.05466	1.8
81.03416	5.6
81.07030	2.2
83.01364	0.7
83.04967	1.6
85.02899	31.9
85.06532	1.0
87.04455	2.6
91.03946	1.7
91.05469	7.3
93.07040	2.0
95.04974	3.5
95.08604	2.5
97.02879	12.3
99.04455	2.7
105.07015	5.6
107.04938	1.3
107.08577	4.1
109.02861	3.5
109.06512	19.4
111.08087	1.6
117.06993	1.2
119.04962	0.9
119.08576	9.8
121.06483	1.4
121.10127	3.1
123.08057	7.5
127.03922	6.2
129.06995	2.8
131.08559	15.7
133.06477	6.1
133.10120	2.7
135.08047	2.4
143.08525	2.0
145.04971	5.2
145.10121	2.9
147.08041	15.5
147.11606	3.3
149.09630	3.1
151.07533	100.0
152.07861	2.3
156.09338	3.9
159.11674	1.1
161.09610	4.7
161.13239	2.4
163.11183	14.6
165.12715	1.7
171.11678	8.3
174.10439	1.1
177.12724	1.4
185.13292	0.8
189.12729	44.5
190.13063	1.0
191.14282	7.5
203.05263	0.6
203.14307	1.4
207.06438	1.2
207.13782	61.3
215.14204	0.8
231.13841	3.3
249.14876	1.5
297.39838	0.8
313.12820	0.7
369.14865	1.2
369.19067	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	369.1904
Annotation	Cedronolactone A
Peak:m/z	Relative Intensity
53.03938	0.9
55.01864	2.6
55.05505	6.7
57.03416	2.7
57.07053	1.5
57.18469	0.8
59.77032	0.7
61.02926	1.8
61.24654	0.7
65.03947	0.7
67.05493	3.2
69.03127	0.9
69.03426	9.3
69.07060	4.2
70.06558	0.8
71.04990	14.2
71.61411	1.1
73.02920	1.5
74.47379	0.7
77.87690	0.9
78.14127	0.6
79.05483	3.3
81.03407	3.1
81.07043	4.6
83.01326	1.6
83.04969	4.1
83.08611	2.1
85.02899	10.8
85.06528	2.6
91.05460	8.1
93.07039	5.6
95.01311	1.2
95.04953	3.4
95.08603	7.6
97.02886	8.2
97.06540	1.9
97.10155	2.4
99.04435	1.9
99.08081	11.0
103.03944	1.3
104.13040	0.7
105.07008	4.2
107.04955	2.4
107.08598	9.6
109.02856	3.0
109.06527	2.7
109.10148	5.7
111.04404	3.6
111.08066	2.3
113.06003	1.7
113.09638	1.8
115.03908	1.4
117.06999	1.4
119.04913	2.0
119.08567	4.5
121.02842	1.4
121.06489	2.6
121.10149	6.4
123.04424	3.3
123.08056	2.3
123.11707	4.2
125.02339	1.0
125.06032	1.4
125.09592	1.9
127.03902	2.5
127.07554	4.5
127.11158	1.2
129.06990	1.2
129.53104	0.7
131.07054	6.6
131.08540	2.4
133.06470	2.2
133.10135	4.3
135.04417	2.0
135.08022	6.4
135.11668	4.9
137.05971	4.2
137.09584	3.0
137.13220	0.9
139.03862	1.5
139.07539	2.8
141.01753	1.0
141.05435	1.8
143.08546	1.5
145.02855	1.6
145.04980	1.2
145.08583	30.3
145.09897	1.1
145.10173	1.7
147.04420	2.1
147.07979	2.2
147.11655	1.8
149.02361	0.9
149.05971	2.6
149.09610	16.1
149.13271	1.9
151.03903	1.4
151.07559	2.4
151.11194	1.1
151.14816	1.3
153.01753	0.8
153.05449	1.0
153.12691	2.2
155.07034	0.8
157.10118	1.3
159.07993	1.2
159.11713	1.0
161.05965	1.6
161.09647	2.0
161.13271	1.0
163.03932	1.0
163.07520	3.8
163.11153	2.5
163.14752	1.7
164.00487	0.8
165.05441	0.9
165.09105	1.8
167.03479	0.9
167.07043	1.3
167.10736	0.9
171.06645	0.8
171.11670	1.0
171.13814	0.8
173.08186	1.0
173.09575	1.7
173.13316	2.1
175.03909	2.0
175.07526	2.8
175.11188	1.4
177.05402	3.9
177.09102	2.5
177.12819	1.0
178.05058	1.3
179.07018	3.0
179.10574	1.1
181.08562	4.9
185.09583	0.9
187.11172	1.5
188.08231	0.9
189.05475	1.3
189.09100	2.5
189.12758	3.0
189.14680	1.0
191.07372	1.2
191.09140	8.8
191.10706	5.5
191.14285	15.9
193.08592	2.3
193.12198	1.7
195.06430	0.9
195.10153	1.5
201.09030	1.0
201.12660	0.9
203.10710	1.8
203.14351	1.0
207.06540	4.3
207.10085	1.5
207.13815	3.5
209.15382	2.7
215.10722	2.8
217.08658	0.9
217.12204	0.8
219.10202	1.1
219.13794	6.5
221.15413	1.3
223.11107	1.5
225.07378	0.8
227.10530	0.9
229.12364	1.0
231.10168	1.3
231.13762	2.5
233.11751	1.3
235.13272	1.4
237.14830	29.7
239.08980	0.8
243.08363	1.3
245.15215	1.0
247.34947	0.8
249.14935	4.4
257.10065	4.9
259.07916	1.3
261.14761	1.7
269.13852	2.6
273.14774	2.1
287.16174	1.1
291.16031	2.1
303.15912	2.2
309.17285	1.0
315.16000	3.6
333.16858	5.2
351.17999	12.1
352.18109	1.1
369.15216	6.7
369.19083	100.0
370.19235	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	369.1694
Annotation	4,4-Bis[4-(acetyloxy)phenyl]3-hexanone
Peak:m/z	Relative Intensity
51.50050	8.1
53.57468	7.3
55.05491	8.9
55.71005	8.2
57.07087	8.7
67.05488	16.9
69.03429	23.9
69.07069	14.5
71.61085	13.2
75.14404	7.0
79.05492	20.1
79.09639	7.6
81.07050	19.7
81.73425	7.3
83.04956	9.4
86.04115	7.6
91.05450	18.6
93.07035	20.8
95.04951	16.8
95.08582	29.5
105.07008	17.9
107.08582	18.9
109.10151	13.5
119.08560	25.3
121.06493	14.6
121.10163	18.2
133.10086	9.8
135.08058	10.7
135.11714	14.4
142.07961	10.3
143.08557	12.4
145.10095	18.5
147.11670	10.5
157.10068	12.6
159.08015	16.6
159.11729	14.9
163.14757	8.7
173.09639	9.9
179.08516	11.6
180.09242	11.7
185.09587	19.9
191.92101	8.4
193.10109	14.3
195.11734	26.6
199.11124	9.1
205.10211	13.6
209.09593	13.5
211.11194	10.0
215.10675	28.6
220.12523	13.4
223.11185	37.0
225.12865	13.1
233.09663	15.8
235.11188	10.9
235.14676	8.3
236.11955	14.1
239.14525	9.2
241.12100	8.3
248.11943	19.8
249.12636	14.0
251.10913	8.8
251.14249	10.3
253.12218	11.6
261.12756	12.1
263.14319	40.9
267.13681	13.4
276.11340	14.9
279.13699	10.7
281.15384	57.4
291.13708	41.8
297.15359	7.7
309.14874	99.1
310.15161	9.4
327.15854	100.0
368.42563	21.5
369.17023	60.5
369.31644	13.8
369.42932	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	369.1696
Annotation	4,4-Bis[4-(acetyloxy)phenyl]3-hexanone
Peak:m/z	Relative Intensity
53.03934	2.7
55.01858	3.2
55.05503	5.7
58.62713	2.3
65.03931	2.4
67.05502	5.6
69.03423	34.9
69.07080	4.9
70.06570	5.2
70.23869	9.0
70.24256	5.4
71.04987	3.2
79.05491	15.8
81.03433	3.1
81.07051	7.6
83.05006	3.0
85.02891	6.0
85.06505	3.0
91.05468	14.3
91.41415	2.4
93.07037	7.1
95.04981	15.7
95.08597	4.6
99.04469	12.8
100.86286	2.5
102.22070	2.6
105.07008	15.3
107.04954	6.3
107.08598	10.0
109.02878	5.2
109.06494	10.3
111.04443	4.2
115.05451	3.8
117.06998	5.8
119.04917	3.7
119.08553	7.9
121.06490	8.5
121.10137	4.6
123.04399	4.7
123.08068	12.2
128.06247	4.0
129.06990	8.3
131.08559	12.0
133.06497	9.6
133.10144	3.0
135.08058	8.1
137.05995	4.7
137.09656	3.7
141.06966	9.5
142.07756	9.7
143.08540	11.6
145.06456	9.8
145.10141	9.6
147.04369	3.9
147.08022	6.2
149.09627	6.1
151.07539	6.0
153.06946	6.0
155.08543	10.8
156.09337	5.4
157.10126	10.6
158.07213	2.8
159.08057	23.2
159.11697	10.7
161.05954	5.3
161.09578	6.8
163.07532	4.3
165.06978	28.6
166.07771	8.1
167.07124	4.8
167.08540	12.4
168.09331	3.8
169.10182	11.6
170.10854	3.9
171.08034	9.1
171.11723	5.6
172.08827	7.3
173.09628	10.9
175.07544	12.9
177.05371	3.2
177.09071	4.9
178.07756	7.0
179.08516	16.7
180.09352	22.4
181.06456	4.2
181.10081	11.9
182.10799	5.3
183.08076	8.5
183.11671	6.6
185.09636	27.7
186.10347	6.6
187.07565	4.0
187.11159	21.5
189.09004	3.5
189.12830	5.1
190.07767	3.1
191.08568	5.5
192.09323	9.9
193.08522	3.7
193.10098	20.0
194.10864	7.6
195.08037	10.1
195.11676	70.6
196.08871	7.3
196.12231	5.4
197.09598	14.4
197.13266	11.3
199.07494	4.5
199.11247	7.4
201.09053	6.9
203.08646	4.8
203.10606	7.3
204.09300	4.3
205.08510	2.8
205.10188	20.0
206.10986	12.0
207.06396	5.4
207.08168	5.9
207.11819	15.9
207.13646	5.3
208.08881	12.9
208.12518	4.1
209.09592	30.3
209.13229	6.6
210.10358	10.6
211.07619	6.1
211.11198	18.2
211.14832	6.8
212.11862	3.1
213.09079	3.8
213.12752	5.9
215.08646	5.7
215.10591	29.6
217.10196	3.7
217.12152	3.0
219.08122	5.7
219.09935	5.0
219.11844	4.5
219.13612	2.8
220.12492	14.4
221.09541	9.5
221.13228	12.7
222.10336	8.9
223.11166	100.0
223.14687	5.0
224.11902	24.2
225.09116	7.9
225.12688	16.4
226.09972	3.7
227.10722	6.1
230.10893	6.5
231.11682	3.8
232.08817	5.8
233.09641	34.6
233.11700	7.7
234.10274	10.5
235.11238	12.4
235.14819	16.8
236.11937	7.9
237.09055	2.9
237.12794	12.8
238.13524	4.4
239.10703	10.2
239.14316	15.4
240.11533	3.2
241.12282	21.1
241.92241	2.5
245.13318	8.2
246.10419	3.2
247.11276	14.3
248.11958	28.5
249.09047	5.1
249.12671	15.7
250.13716	4.4
251.10579	12.3
251.14473	12.5
252.11386	9.8
253.12164	7.0
253.15729	11.7
259.10962	3.8
261.09131	5.9
261.12793	3.7
262.13522	4.7
263.14301	54.9
265.12259	13.0
265.15924	7.1
266.12833	6.1
267.10910	2.4
267.13776	16.6
276.11493	19.2
279.13788	9.4
281.15353	84.6
282.15530	3.2
283.13345	4.7
291.13727	30.1
294.12747	3.3
299.16299	4.9
305.15295	9.1
307.16809	5.2
309.14825	79.0
310.15219	4.8
323.16364	15.1
327.15906	92.5
328.16284	4.1
351.15732	13.5
369.16931	58.8
370.16595	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	369.1693
Annotation	4,4-Bis[4-(acetyloxy)phenyl]3-hexanone
Peak:m/z	Relative Intensity
53.03939	6.7
57.14098	4.1
60.08160	14.7
64.59116	3.9
69.03421	18.1
69.67802	10.8
69.68208	19.4
79.05494	9.0
83.04942	5.1
91.05482	10.0
93.07013	7.1
95.04972	16.5
105.07040	13.9
107.04965	5.9
107.08595	7.7
109.02879	8.0
109.06505	11.2
119.08607	8.0
121.06555	5.7
128.06233	6.1
131.08589	11.1
133.06487	4.6
135.08069	11.9
141.06947	5.0
142.07776	6.5
143.08600	6.5
145.06494	7.9
145.10158	4.4
147.08064	4.8
155.08585	6.2
159.08061	16.3
159.11674	7.4
161.09576	7.6
165.07018	12.9
167.08542	7.0
169.10220	7.4
171.08055	7.4
173.09569	4.8
175.07578	4.8
179.08542	13.7
180.09325	9.0
181.10173	8.5
183.11674	6.4
185.09679	28.1
186.10486	9.3
187.11180	16.2
190.07773	4.9
192.09299	6.5
193.10178	15.1
195.08141	7.7
195.11728	12.5
196.08900	9.8
197.09651	13.3
199.11203	7.4
203.10684	7.7
205.10191	15.9
207.11644	14.0
208.08798	5.8
208.12465	4.8
209.09695	13.2
209.13034	5.6
210.10373	6.4
211.11189	12.8
215.10645	32.5
216.04370	4.8
219.11708	5.2
220.12463	10.7
221.09621	7.7
221.13307	10.2
222.10341	10.6
223.11176	41.3
224.11969	9.8
225.09195	5.1
225.12717	6.2
227.10732	7.6
230.10880	7.8
233.09584	20.6
233.11552	8.9
235.14941	11.9
236.11906	6.2
237.12653	6.6
238.13264	6.4
239.10629	9.7
239.14337	6.0
241.12289	10.1
245.13240	5.9
247.11224	6.9
248.12004	18.8
249.12784	12.3
251.10648	9.6
251.14415	9.3
253.12250	10.7
253.15945	8.0
261.09180	8.5
261.12808	5.5
263.14261	42.5
267.13834	8.5
276.11493	7.3
279.13840	15.8
281.15305	37.0
291.13824	45.0
297.14676	11.4
309.14767	100.0
327.15836	94.1
328.16241	5.3
351.15952	8.7
368.42575	44.6
369.17026	38.6
369.42798	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.7
57.03431	0.5
69.03411	0.8
71.60414	0.9
81.03375	0.4
81.07049	0.8
83.04960	0.5
84.08169	0.4
85.02890	1.2
85.06555	0.4
87.04411	0.5
89.06030	1.0
91.05450	0.9
95.08580	0.5
97.02853	0.6
98.05927	0.4
99.08086	0.5
101.06000	0.6
105.07034	0.5
107.04888	0.6
107.08530	0.5
109.02883	0.5
109.10123	0.5
119.04923	0.7
123.04402	1.1
127.03862	0.4
133.10104	0.5
134.99536	0.4
135.06477	0.4
135.11783	0.7
139.03899	1.2
147.04436	1.9
153.01846	1.1
163.03886	0.5
167.07024	6.9
171.13770	0.4
189.05228	4.5
189.12671	0.8
203.05128	0.6
207.06459	0.9
207.08708	1.8
207.15880	0.7
291.28851	0.4
318.67169	0.4
369.11508	100.0
370.11871	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	369.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86895	0.5
56.96558	0.6
56.98446	0.6
63.36884	0.5
69.03413	1.7
69.07050	1.4
71.59434	0.9
71.59798	1.0
72.93791	0.7
85.02912	1.9
97.02884	1.8
107.04938	1.7
109.02856	0.7
123.04416	0.8
127.03936	0.7
137.05977	0.8
140.16261	0.5
144.95961	0.6
147.04428	0.9
153.01794	2.8
158.97403	0.7
167.03387	0.8
185.04192	3.8
206.05511	4.0
207.06264	7.5
207.08215	1.0
234.99028	1.6
237.02690	0.9
369.11560	100.0
370.11951	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	368.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	12.8
55.64809	10.2
56.96553	17.2
57.07078	59.8
65.66057	10.0
67.05492	24.5
69.52715	75.9
76.90874	10.2
81.07061	28.8
83.08622	14.3
85.06547	85.5
86.09709	21.9
93.07029	17.9
95.08612	15.3
103.34111	12.3
104.10722	33.6
105.07037	15.8
113.72612	11.5
131.08617	17.9
184.07339	13.0
197.18987	66.4
199.70602	11.8
208.96538	11.9
230.10338	10.8
232.96457	21.8
250.97603	17.1
278.63913	77.9
279.14267	14.1
305.24802	100.0
368.31018	39.1
368.42642	13.4
369.24179	14.7
383.88455	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	368.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	4.5
57.03428	5.1
59.30116	4.8
67.05431	5.0
69.03412	10.0
69.07060	5.9
69.81356	27.8
71.04985	4.8
72.08157	6.0
79.01971	4.1
79.05489	5.6
81.03399	4.8
81.07038	8.4
83.04978	8.5
85.02904	20.5
89.94023	4.2
90.99268	3.9
97.02878	10.9
97.06524	7.8
99.04443	6.2
107.08611	5.9
109.02865	4.9
109.06493	6.0
111.04467	11.8
119.04841	4.6
121.02856	10.8
123.04430	7.7
125.06000	24.3
125.09633	5.2
127.03891	9.4
127.21217	5.3
139.03912	8.4
143.07004	6.8
145.04936	5.5
147.04388	6.1
153.01849	8.1
153.05476	22.3
153.09085	10.1
160.09612	5.4
163.03906	4.9
167.03371	5.4
171.06462	10.9
171.10172	17.8
189.07587	100.0
206.04578	10.9
206.08221	8.2
206.10249	14.5
206.13840	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	368.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48594	0.2
51.85555	0.2
53.03942	0.3
55.01873	0.3
57.03432	0.6
61.02910	1.1
69.03423	2.3
71.04979	0.3
73.02917	0.4
81.03410	0.9
83.01311	0.3
85.02898	5.7
87.04466	0.4
97.02895	2.3
99.04468	0.4
109.02867	0.8
127.03927	1.5
128.02402	0.3
132.04451	5.6
138.33469	0.2
139.00290	0.2
145.04944	1.7
146.06021	0.4
147.06331	0.3
153.01833	0.4
160.03915	0.3
176.80577	0.2
178.04979	59.0
179.05341	1.9
188.07062	0.6
189.07384	1.1
189.41629	0.2
205.09656	0.3
206.04468	100.0
207.04790	4.3
231.08495	0.4
351.12256	0.3
368.09460	1.5
368.18402	0.5
392.16736	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35335	2.9
50.70009	2.7
51.22168	3.1
52.46055	3.0
53.03935	4.6
55.05512	18.9
57.07065	9.4
62.97745	2.8
65.03925	3.8
67.05502	38.3
69.03417	7.8
69.07056	25.6
70.28606	14.8
71.04990	6.7
73.22704	2.6
77.03961	3.8
79.05491	31.8
81.07053	56.1
83.04956	6.1
83.08616	10.8
85.06547	4.0
88.92112	3.0
91.05471	45.3
93.07040	77.2
95.04967	35.4
95.08601	64.2
95.09169	5.6
97.06529	13.7
105.07027	80.7
107.08591	56.1
109.06506	13.6
109.10153	56.6
116.06245	4.6
117.07020	21.1
119.08581	100.0
121.06487	6.9
121.10139	54.9
121.41222	3.3
123.08051	7.3
123.11706	19.8
128.06221	8.9
129.07034	14.9
130.07835	5.6
131.08554	55.1
133.10132	58.3
135.08070	17.1
135.11661	24.5
137.09621	7.6
141.06976	7.1
142.07782	18.2
143.08569	36.7
144.09323	13.5
145.10117	66.2
146.07294	6.5
147.08060	15.9
147.11626	24.6
149.09619	21.4
149.13237	6.2
155.08511	12.4
156.09357	10.8
157.10130	49.7
158.10858	7.9
159.08072	4.7
159.11688	36.2
161.09621	46.2
161.13246	15.4
163.11134	5.0
163.14767	5.9
167.08531	5.1
168.09268	3.9
169.10103	22.8
170.10924	5.8
171.08041	4.8
171.11649	27.5
172.12411	3.7
173.09624	8.3
173.13231	30.3
175.11198	9.8
175.14853	18.6
179.08588	5.6
181.10094	10.4
182.10951	6.2
183.11664	29.6
185.13239	17.4
187.11243	3.9
187.14835	14.6
189.12695	4.3
189.16364	4.0
193.10161	5.4
194.10957	10.4
195.11670	11.8
196.12485	5.2
197.13254	15.5
199.14822	14.7
201.12740	8.3
201.16362	9.5
209.13255	26.9
210.13976	5.7
211.14813	9.7
213.12784	4.3
213.16359	6.6
215.14424	3.7
217.15660	3.4
218.10992	3.8
223.14751	6.2
225.12761	3.0
225.16386	4.9
227.14322	23.8
239.17949	9.5
241.19366	3.6
251.18025	3.9
255.17480	6.8
257.18936	5.6
257.22836	3.3
260.54678	3.3
265.19421	8.6
267.17456	4.1
269.19040	4.2
293.19012	4.5
331.24179	5.3
349.25287	10.9
356.95184	3.3
367.26294	18.2
367.33710	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	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.5
55.01651	2.6
55.01867	25.2
55.05507	81.5
55.42697	2.5
56.96545	3.6
57.03432	31.8
57.07075	3.6
58.17888	2.6
58.76986	2.4
59.04967	3.0
65.03914	5.4
65.14179	2.6
67.05502	80.2
69.03417	8.6
69.07066	49.9
70.62444	9.6
71.04994	17.2
79.05490	86.7
81.03387	9.6
81.07050	80.0
83.04977	49.4
83.08613	55.1
85.02911	14.5
85.06516	5.1
91.04968	4.1
91.05475	45.4
92.05785	2.7
93.06472	5.0
93.07038	78.0
95.04960	78.2
95.08601	56.8
97.06529	19.1
97.10172	21.0
99.04433	23.8
99.08128	3.2
105.07027	48.4
107.04943	19.1
107.08589	75.9
109.06513	16.4
109.10159	31.2
111.04437	61.2
111.08072	24.1
117.07035	17.5
119.08569	46.5
121.06471	13.3
121.10136	50.4
123.08056	16.2
123.11699	9.9
125.06017	4.9
125.09602	28.0
129.06992	9.0
130.07704	2.8
131.08569	25.6
133.06412	2.8
133.10115	28.5
135.08017	12.0
135.11682	24.5
137.09586	4.6
139.11119	6.3
143.08530	9.0
145.06473	6.1
145.10112	43.0
147.08038	8.1
147.11685	19.4
149.09616	54.6
149.13234	6.6
151.11168	6.4
153.09079	3.8
153.12712	9.8
157.10057	7.1
159.11702	15.9
161.09654	4.3
161.13243	8.9
163.11172	53.3
165.12698	7.5
167.10690	3.1
169.10095	6.4
171.11639	5.8
173.13242	6.0
174.12326	2.5
175.11115	2.9
175.14833	2.7
177.12735	6.6
181.12221	6.6
183.11708	4.2
187.11201	6.4
189.11234	17.2
189.12679	4.1
191.10661	3.6
193.12302	3.5
197.13268	3.0
199.11142	3.2
205.12178	8.0
207.13734	4.1
211.13239	7.1
223.11119	5.9
223.13278	100.0
227.12741	3.0
229.19386	5.4
237.14737	6.2
239.17879	8.6
247.20662	3.1
257.18951	10.2
269.10608	3.5
275.20050	92.2
291.47971	2.6
293.21140	36.3
302.16290	3.2
349.23734	4.9
367.11438	2.9
367.24908	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01872	4.8
55.05508	17.9
57.03151	0.7
57.03434	15.0
57.07066	1.6
65.03934	1.4
67.05501	44.9
68.05833	0.7
69.03419	1.8
69.07065	31.3
69.28359	6.3
71.04987	3.0
73.56860	0.6
79.05488	32.3
81.03416	1.8
81.07051	100.0
82.07384	1.6
83.04976	6.4
83.08612	10.6
85.02906	1.0
85.06526	3.8
91.05473	22.2
92.05828	0.8
93.07037	24.4
93.07628	1.2
95.04953	8.4
95.08599	27.5
97.06532	9.3
97.10177	2.4
99.08100	4.2
105.07024	25.0
106.07383	0.7
107.04960	5.2
107.08590	15.2
109.06509	15.9
109.10140	10.1
109.10825	0.9
111.08078	5.6
113.05984	1.1
113.09671	0.7
117.07002	5.2
119.08568	18.4
120.08890	0.7
121.06493	3.3
121.10132	12.0
121.11011	0.6
122.10468	0.6
123.08069	6.1
123.11697	9.4
125.09624	2.5
127.07518	0.9
129.07008	2.0
130.06645	0.6
131.08559	8.3
133.10126	13.1
134.10512	0.6
135.08032	3.6
135.11661	4.9
137.09587	3.2
137.13260	1.2
141.07008	0.8
141.09090	0.8
143.08557	1.8
145.10117	8.3
146.65544	0.6
147.08017	1.1
147.11681	22.0
148.11961	0.7
149.09607	6.2
149.13239	8.5
151.11191	2.3
155.08620	0.9
156.09335	0.6
157.10133	4.1
159.08006	0.8
159.11685	9.0
161.09627	0.9
161.13234	4.4
163.11162	5.5
163.14781	1.7
165.12756	5.6
167.14323	1.2
169.10100	1.6
171.11652	1.3
173.09625	0.9
173.13274	3.2
175.11206	2.2
175.14835	1.3
177.12753	4.6
179.10797	0.8
179.14334	1.7
183.11739	1.7
185.13380	0.8
187.11227	1.6
187.14859	0.7
189.12839	0.7
191.10614	0.6
193.12315	1.7
193.15869	0.6
195.13765	2.8
197.13277	1.2
201.12697	1.2
205.15863	0.6
207.13831	1.3
215.14349	0.8
215.17923	0.6
219.13780	1.2
229.19565	1.8
231.46303	0.5
233.19026	0.7
236.54359	0.6
237.14807	1.0
239.17839	1.6
247.20564	3.9
257.19043	4.1
265.21552	0.9
266.77090	0.7
269.10687	0.7
275.20050	30.5
276.20398	1.8
293.21088	7.2
294.21420	0.9
349.23703	7.3
350.23886	0.6
367.24777	51.5
368.25073	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	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59873	3.0
53.03921	6.9
55.01872	19.0
55.05270	4.2
55.05511	65.3
56.05811	2.7
57.03436	29.6
57.07078	4.0
65.03924	5.3
67.05503	100.0
69.03428	8.3
69.07061	32.5
71.04984	9.7
79.05492	62.0
81.03392	9.7
81.07053	88.9
83.04970	17.6
83.08620	56.0
85.06523	5.0
91.05476	61.7
93.07040	63.9
93.07610	4.4
95.04964	33.8
95.08605	66.7
97.02888	3.1
97.06511	17.1
97.10162	12.1
98.20728	7.9
105.07020	51.6
107.04984	20.1
107.08598	48.2
109.06495	10.8
109.07207	3.3
109.10151	38.7
111.04441	6.3
111.08073	20.1
117.06996	17.0
118.47393	3.0
119.08568	39.8
121.06518	8.7
121.10141	26.6
123.08057	9.0
123.11681	9.2
125.09612	11.8
129.06940	7.7
131.08559	27.9
133.06462	3.7
133.10129	35.7
135.08038	10.5
135.11702	20.7
137.09615	11.8
139.11134	5.3
141.06914	3.2
142.07784	4.4
143.08568	4.9
145.06412	3.7
145.10120	37.1
147.08022	3.9
147.11703	20.4
149.09599	38.1
149.13271	7.0
151.11172	10.0
154.07777	3.2
155.08559	4.0
157.10155	5.2
159.07912	3.1
159.11674	18.7
161.09602	4.4
161.13249	9.4
163.11148	41.8
165.12733	8.4
169.10110	6.9
170.34282	2.9
171.11691	6.8
173.09570	4.5
173.13258	9.3
175.11200	8.2
177.12735	6.3
183.11723	6.5
183.53741	2.9
187.11105	3.7
187.14848	3.7
189.00679	4.2
189.11185	5.0
189.12679	3.8
191.14279	5.4
197.13272	6.4
201.12608	3.4
207.13802	4.8
229.19495	9.0
239.17964	10.4
247.20476	7.2
257.19107	17.5
275.20050	81.3
276.20355	6.3
293.21100	16.4
316.02478	3.1
349.23889	21.1
367.24805	75.4
368.25031	4.4
386.88193	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	366.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	11.8
67.05499	4.7
69.07046	5.1
71.59202	4.9
81.07040	11.6
83.04977	100.0
85.06524	3.7
91.05505	4.7
93.07030	5.7
95.08578	6.0
97.10166	6.9
103.07286	3.5
105.07017	6.7
107.08638	6.4
109.10129	5.0
119.08639	3.7
135.08025	42.5
145.10097	4.2
195.17381	22.7
229.15884	16.5
247.16910	4.7
277.49377	4.0
303.23175	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
53.95255	0.7
55.01853	1.4
55.05500	3.5
56.05023	2.2
56.96563	0.9
57.03417	1.4
57.07049	1.0
59.31630	0.7
60.04522	100.0
65.03934	1.5
67.05501	13.0
69.03419	3.0
69.07058	4.3
70.06580	2.2
71.04982	3.9
71.59861	1.0
72.04506	2.8
74.06057	1.6
79.01841	1.6
79.05488	9.1
80.05008	1.7
81.03407	1.7
81.07054	17.7
82.06567	1.8
83.04964	2.3
83.08617	2.9
84.04488	1.0
85.02895	3.9
85.06532	8.8
90.05558	1.7
91.05472	15.6
93.07034	9.9
94.06555	1.3
95.04967	2.8
95.08601	11.7
96.08120	1.4
97.02872	1.8
97.06512	2.6
97.10147	2.6
98.97560	1.4
99.04461	1.3
99.08109	0.8
102.05543	1.6
105.07005	5.2
107.04940	2.6
107.08581	6.8
108.08107	0.9
109.02879	1.4
109.06487	1.0
109.10156	6.3
111.08082	3.0
112.07589	1.1
113.06027	1.6
116.07076	2.0
116.98579	1.2
117.03339	0.8
117.07026	1.9
118.06548	1.5
118.07319	1.2
119.04941	3.2
119.08569	4.5
120.08112	1.7
121.06505	1.9
121.10133	6.0
122.06019	1.8
123.04417	3.9
123.11702	3.0
125.02363	0.8
125.09655	3.6
127.03930	1.0
128.98628	0.9
129.07011	1.0
130.06509	0.7
131.04910	1.9
131.08525	2.5
133.10124	4.8
135.10796	0.8
135.11661	4.3
136.06186	1.3
139.03886	4.9
143.10654	2.6
145.06470	2.8
145.07555	1.1
145.10188	1.9
146.06842	2.4
146.09631	1.1
147.04402	12.3
147.11673	3.3
148.06128	1.6
149.13228	1.9
151.11180	2.8
153.01826	8.2
156.10080	0.8
157.10088	0.9
159.11693	1.7
161.13260	2.3
163.03877	1.2
163.07579	1.0
164.07065	0.8
168.06526	0.9
169.08713	0.9
169.12239	10.8
171.02824	0.8
171.11765	1.1
173.13272	1.1
174.05493	1.1
180.06572	1.2
187.09790	1.0
187.13281	2.3
190.08553	0.8
191.06998	2.8
192.07468	4.2
204.10408	1.2
204.12491	2.5
204.15840	0.9
207.07585	1.9
217.19580	1.5
229.19269	0.9
238.05460	1.3
258.22202	0.9
263.08527	2.2
276.23270	3.3
277.03448	1.8
291.03598	0.9
294.24109	3.6
303.01285	1.6
312.09744	0.8
312.25287	10.2
329.91138	0.9
330.26401	22.3
331.26950	1.0
336.18036	0.9
348.10785	1.5
348.27423	39.4
349.27786	1.3
366.12027	9.0
366.28488	89.2
367.13766	1.2
367.28879	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	366.118
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	1.2
70.06605	0.5
70.86967	1.3
74.06097	0.6
81.03391	0.9
81.07053	0.6
82.06539	0.5
85.02888	2.5
86.09715	0.6
97.02886	1.4
107.08612	0.6
109.02833	0.7
116.04988	0.7
123.04404	1.6
127.03836	0.7
133.10155	0.6
135.04372	0.5
139.03885	1.4
143.03320	0.7
144.04373	0.7
153.01807	2.1
155.85437	0.5
162.05490	80.9
163.05846	2.1
168.57327	0.5
169.08566	1.0
169.12216	1.0
176.06982	0.5
187.09612	0.8
190.04982	15.8
204.06544	100.0
205.06870	3.8
263.08365	1.5
366.11105	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	366.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01862	0.8
55.05503	1.9
57.03431	1.3
59.04985	0.5
60.04522	1.4
61.02917	1.3
67.05489	1.9
69.03423	4.2
69.07054	1.2
71.04987	8.7
71.58254	0.6
71.92083	0.5
72.99384	0.5
73.02911	0.6
79.05491	13.3
81.03429	1.4
81.07052	100.0
82.07379	0.9
83.04972	9.7
83.08621	1.7
85.02902	11.9
85.06532	0.7
86.09700	0.5
87.04478	0.8
91.03983	0.6
91.05473	4.1
93.07043	14.0
93.07628	0.8
94.66512	0.5
95.04962	1.8
95.08604	2.1
97.02873	4.0
97.06534	1.0
99.04485	1.0
99.08086	4.8
101.06004	0.7
105.07047	3.4
107.08592	2.0
109.02846	1.2
109.06508	1.3
109.10135	1.5
111.04426	0.6
111.08070	1.1
113.05991	0.7
117.07060	0.7
119.04951	0.9
121.06486	0.9
123.08057	1.3
123.11712	2.5
127.03906	5.2
133.10129	5.6
135.11674	0.5
136.06195	2.2
141.09122	0.8
145.04945	5.4
147.04387	3.9
148.06197	0.8
151.11162	2.4
153.01819	1.0
161.09677	0.5
163.06046	1.3
169.08632	0.9
169.12259	2.1
187.09653	1.0
191.07021	0.6
192.07289	0.6
204.12480	1.9
207.10124	1.0
225.11278	1.0
237.02577	0.6
243.12294	9.9
281.15115	0.7
366.12125	1.0
366.28409	0.9
367.13528	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.037
Annotation	Unknow
Peak:m/z	Relative Intensity
70.43653	1.4
70.44064	0.9
75.57703	0.4
77.01574	0.4
79.17127	0.4
82.92165	0.4
102.67874	0.4
103.71652	0.5
119.01891	2.0
131.23332	0.4
131.26508	0.5
137.02950	2.1
144.73428	0.4
156.47118	0.5
159.06113	0.6
177.00940	9.7
179.00662	0.9
183.06154	0.7
195.01958	0.6
200.02507	0.9
201.00923	0.7
201.07190	1.4
211.00017	0.4
216.99052	0.5
217.04123	1.0
218.03638	1.3
219.01999	16.3
220.02092	0.8
221.01855	1.1
222.97856	1.1
225.00909	0.6
234.99966	7.7
236.00130	1.2
236.99840	0.8
240.98935	1.5
242.03632	1.5
243.02046	1.9
251.35210	0.5
253.01086	2.8
258.99979	13.4
260.00150	1.8
260.04776	1.0
261.00143	2.1
261.03040	41.2
262.03284	0.8
263.02969	1.3
264.98712	2.6
277.01028	30.7
278.01068	3.1
279.00854	5.0
282.99951	31.4
283.06317	1.8
284.00101	1.4
284.04782	2.7
284.99884	0.7
291.99844	0.7
300.02850	0.6
301.01028	100.0
302.01138	7.0
303.01068	2.4
319.02075	10.5
324.02689	5.0
325.00995	5.4
325.07147	0.6
342.01865	7.2
343.02087	44.7
343.08609	2.0
344.02249	3.2
360.03033	1.0
361.03137	20.7
361.28091	0.6
362.03265	1.5
366.03375	3.4
384.03174	4.8
385.03052	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2685
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.05490	1.1
57.03410	0.7
57.07061	4.7
63.09354	0.5
67.05496	1.4
69.07053	1.5
69.46516	2.9
69.46938	1.9
79.05505	1.3
81.07061	2.8
81.07464	0.6
83.08623	0.7
85.06524	2.8
91.05434	1.0
93.07031	1.3
95.08581	2.2
104.04879	0.6
105.06974	1.4
107.08588	2.3
109.06500	1.4
109.10120	0.9
119.08611	1.0
121.10146	1.4
123.08037	2.8
124.08885	1.3
131.08601	0.8
133.10155	0.8
135.08012	1.1
137.11311	0.6
139.07469	0.6
144.91263	0.5
147.11688	0.6
151.07550	2.4
152.08308	5.2
159.11693	0.6
161.09630	0.6
165.09093	8.3
171.11734	0.6
179.10680	1.8
194.13000	2.8
207.13826	2.0
228.99892	0.6
235.16983	0.8
263.20206	3.2
277.41208	0.6
319.26157	1.3
347.25766	17.6
348.26120	1.3
365.10712	2.2
365.26846	100.0
366.27179	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47165	2.4
55.05489	7.5
60.12629	1.9
60.37790	1.9
67.05495	11.9
69.07073	15.5
69.37566	4.4
69.37970	17.6
79.05067	2.4
79.05496	25.1
81.07054	46.5
83.08614	4.9
86.12460	2.5
91.05470	7.4
93.07037	18.5
95.08600	38.0
105.07035	21.0
107.08599	54.6
109.10148	22.6
111.11710	5.1
119.08580	15.7
121.10130	15.4
123.11715	10.3
131.08549	5.9
133.10135	14.1
135.11687	18.3
137.13252	5.3
143.08600	3.1
145.10109	12.2
146.27365	2.2
147.11691	11.9
149.13263	5.7
155.42767	2.0
157.10117	5.1
159.11710	13.6
161.13246	21.8
162.13483	2.4
163.14836	3.8
171.11708	3.9
173.13290	6.9
175.14880	5.2
177.16290	2.9
185.13196	3.9
187.14806	6.8
189.16403	4.3
199.14824	3.8
201.16385	4.8
205.19557	3.0
207.35475	2.2
208.35139	2.3
213.16434	5.6
215.17915	2.4
217.19391	2.4
227.17926	15.6
229.19565	4.6
231.21089	51.1
232.21379	3.4
238.34497	2.1
241.19504	4.3
243.21144	4.0
255.21092	7.9
257.22641	5.8
269.22546	10.6
271.24222	6.6
283.24225	5.7
285.25870	3.5
295.24158	3.4
365.32025	100.0
366.32419	9.3
371.14481	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38320	2.2
53.03928	3.2
55.01869	9.8
55.05507	34.7
56.96555	2.6
57.03419	11.1
61.02918	2.1
65.03923	2.7
67.05505	33.0
69.03417	15.9
69.07064	46.5
71.04990	3.9
79.05492	28.6
81.03414	7.5
81.07052	29.2
83.04968	7.2
83.08611	7.8
84.07156	2.0
85.02879	2.3
85.06535	2.7
91.05466	17.0
93.07033	24.4
95.04956	13.4
95.08611	19.1
97.02874	17.3
97.06506	5.6
97.10162	18.2
98.20778	4.8
103.03999	2.2
105.07030	12.8
107.04944	7.1
107.08585	15.7
108.47165	2.1
109.02827	2.2
109.06499	5.9
109.10152	13.3
111.08075	3.3
117.07023	6.7
119.08578	15.7
121.06535	3.5
121.10098	8.1
123.08078	3.9
123.11712	2.2
125.09624	13.8
129.07004	3.2
131.08511	10.1
133.06467	2.4
133.10129	7.6
135.08014	6.3
135.11690	4.4
137.09663	3.5
143.08607	3.7
145.10107	7.9
147.08029	4.7
147.11670	4.6
149.09637	2.9
149.13263	2.4
151.11223	2.4
153.09103	3.1
157.10129	4.3
159.11650	4.5
161.09660	4.6
163.11217	2.2
165.09015	2.8
171.11615	3.2
173.11751	2.6
175.11263	2.2
177.12698	3.2
181.01471	2.1
189.11229	8.6
205.12189	4.6
223.13251	34.9
227.17952	2.2
269.10382	2.6
269.92337	2.1
273.18491	9.7
286.73166	2.5
291.19528	100.0
292.19928	4.7
305.44376	2.1
347.22189	4.3
365.23190	64.5
365.26566	2.9
366.23337	3.0
383.30084	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	365.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.6
55.01875	16.2
55.05511	25.7
56.96555	13.6
57.03434	18.1
59.04969	2.5
59.66000	1.9
60.83013	2.0
61.02914	5.1
65.48360	2.0
67.05164	3.5
67.05500	46.3
69.03419	9.0
69.07070	15.0
69.40750	4.1
69.41142	18.9
71.04983	9.2
73.02901	5.0
78.67180	1.9
79.05487	51.9
80.18761	1.7
81.03417	13.3
81.07053	99.5
83.04978	28.6
83.08606	10.8
85.02888	17.1
85.06544	6.2
91.05480	38.4
93.07042	43.8
95.04971	15.9
95.08600	24.7
95.91562	1.9
97.02869	4.8
97.06508	9.2
97.10165	6.3
99.04438	7.1
101.02371	2.5
101.81474	2.7
103.03967	2.0
105.07018	31.2
107.04948	9.2
107.08584	27.9
109.02869	2.7
109.06506	30.2
109.10143	21.7
111.04434	30.3
111.08076	8.9
115.05405	2.1
117.07017	13.5
119.04904	2.8
119.08584	31.6
121.06488	11.5
121.10141	17.0
123.04456	3.1
123.08051	13.8
123.11704	3.5
125.06011	2.9
125.09614	6.5
127.03833	2.9
129.06973	6.8
131.08549	15.5
133.06442	6.0
133.10123	26.5
135.08043	8.5
135.11652	11.0
137.09599	7.4
137.13120	2.3
143.08559	6.1
145.06477	2.4
145.10115	21.3
147.08038	14.1
147.11647	9.8
149.09564	9.8
151.11162	8.3
153.12746	8.6
157.10095	4.3
159.08093	2.8
159.11653	6.6
161.09630	9.7
161.13232	2.6
163.11159	14.6
165.09108	10.2
171.11684	5.9
173.09645	2.5
173.13191	3.8
175.11143	3.8
181.12210	14.0
183.11873	2.6
185.09618	2.0
185.13272	3.4
187.10985	2.7
189.11266	6.7
191.10660	7.8
193.12167	4.5
199.14761	3.1
203.05692	3.2
209.11687	2.5
211.13127	2.3
217.07549	3.2
223.13330	7.3
227.12799	6.3
227.17946	3.9
231.09091	3.3
243.09019	3.3
245.19005	5.8
249.07745	2.5
249.14922	6.4
253.14407	12.0
255.08971	2.8
255.17552	6.4
263.20200	3.6
267.08997	10.5
269.10583	7.2
273.18481	36.9
275.63635	2.1
285.10068	25.5
285.43173	2.0
286.10501	3.2
287.11649	7.3
291.19528	67.4
301.13388	4.5
308.11597	4.5
321.82968	2.3
340.15207	3.5
347.22122	5.2
365.10446	2.4
365.23059	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06286	0.4
60.77765	0.4
63.10513	0.5
67.05466	0.5
69.07082	0.5
70.06559	0.5
70.95645	0.9
71.50391	0.4
79.05461	0.6
81.07041	0.7
81.18071	0.4
82.16487	0.5
93.07014	0.6
97.02861	0.6
108.08896	0.6
117.42403	0.5
125.86820	0.4
125.93581	0.5
142.11041	0.4
171.00523	1.3
185.04211	5.6
203.03134	100.0
204.03467	1.9
207.45784	0.5
221.04176	0.7
221.59892	0.5
244.05864	0.9
250.47894	0.5
339.70459	0.5
343.70319	0.5
365.08405	44.8
366.08783	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60519	0.9
69.60938	0.6
87.83842	0.2
94.68510	0.2
96.69098	0.2
100.80826	0.2
119.01893	0.7
131.01901	0.4
143.01811	0.4
145.03467	0.3
155.01799	0.3
159.53679	0.2
161.02936	0.5
163.04845	0.2
173.03004	0.6
177.63052	0.2
185.04221	18.1
186.04585	0.2
187.04407	0.3
197.02974	0.6
200.85231	0.2
203.05266	44.9
203.61240	0.2
221.06288	0.3
244.07748	0.3
245.05142	1.7
263.05981	0.3
365.10562	100.0
366.10977	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46027	0.6
56.96563	1.3
57.03437	0.7
69.03423	2.7
69.96751	1.4
69.97163	2.3
70.06586	14.6
70.77036	0.6
71.04956	0.6
72.65289	0.5
73.02910	1.0
74.47449	0.6
79.05486	0.7
81.03410	0.9
85.02902	3.8
85.07626	0.5
90.89883	0.6
97.02895	2.3
98.97573	1.4
109.02861	2.8
111.00800	2.4
111.04426	1.3
112.05247	0.7
112.06821	1.0
112.07599	16.4
115.03951	0.7
115.07552	0.8
116.07095	3.8
116.98605	1.4
124.07618	0.7
125.02330	1.6
126.03111	3.7
127.03915	8.2
134.99623	1.6
139.03888	3.6
140.04456	0.7
140.07074	3.7
141.05479	1.7
143.03371	1.3
153.01799	2.2
155.03389	22.4
157.05046	0.7
158.08121	29.7
167.07037	2.1
168.04170	1.6
168.07344	2.5
169.04938	8.0
170.05736	100.0
171.02887	1.4
171.06288	1.9
177.00703	1.2
185.04393	3.4
201.90233	0.6
203.03551	1.1
203.05351	7.7
237.02715	1.5
283.19434	0.7
320.13522	0.8
323.10080	1.6
365.10556	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	364.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01873	1.1
55.05508	1.2
57.03437	5.1
60.04504	0.8
61.02924	1.1
65.24314	0.9
67.05478	1.0
69.03419	3.1
70.06602	1.0
70.87389	2.4
75.04477	10.2
79.05492	7.4
79.26025	0.8
81.03421	2.6
81.07047	8.9
85.02898	11.4
86.03241	0.9
87.04433	0.9
91.03947	1.0
91.05463	7.5
93.07038	65.3
94.07361	1.8
95.04952	3.2
95.08614	4.6
97.02889	3.3
99.04482	0.8
105.04538	0.8
105.07011	6.0
107.04927	0.9
107.08604	5.7
109.02874	1.5
111.08068	10.0
121.10133	100.0
122.10470	2.0
123.08083	2.2
123.11712	3.0
125.05982	3.5
127.03913	2.9
131.08511	1.6
139.03893	1.1
139.11174	24.2
145.04965	3.6
149.09616	10.7
153.01814	4.8
160.07591	0.9
167.10666	41.8
180.08673	1.2
212.30473	0.8
223.52571	0.7
228.70695	0.8
292.22253	0.9
311.14853	1.4
364.14462	2.8
365.14291	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.7
55.05494	1.6
57.03436	4.9
61.02904	1.0
67.05500	1.8
69.03410	3.7
71.05003	1.5
71.51877	1.5
75.04475	10.8
76.12191	0.8
79.05486	8.4
81.03405	1.4
81.07050	9.3
83.04977	0.9
84.05288	0.9
85.02900	12.4
86.09705	0.8
87.04465	2.1
91.05473	7.2
93.07040	67.0
94.07358	1.2
95.04950	3.6
95.08585	5.9
97.02876	3.3
97.06522	1.2
99.04475	1.1
99.73151	0.8
105.07015	6.7
107.08577	5.8
109.02891	1.4
109.06501	1.1
111.04442	1.6
111.08057	8.5
112.08222	1.0
118.47498	0.9
119.08602	1.8
121.10138	100.0
122.10484	3.3
123.08089	1.8
123.11703	3.9
125.06004	3.1
127.03880	2.1
131.08519	1.8
139.02739	0.8
139.03903	1.6
139.11168	24.2
145.04932	2.8
149.09610	12.7
153.01802	7.3
160.07588	1.1
167.10666	46.2
167.69168	0.8
168.10973	1.6
177.21283	0.9
180.08720	1.3
185.11641	1.0
193.79973	1.0
195.02933	1.1
209.48775	0.7
223.22491	0.8
258.16483	0.8
311.14850	2.0
364.06284	1.2
364.14435	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
55.05502	1.7
57.03439	6.2
67.05499	1.4
69.03410	4.5
69.37954	11.1
75.04480	8.4
79.05475	5.9
81.03390	1.4
81.07055	8.3
85.02480	1.2
85.02900	11.5
87.04472	1.8
88.38199	1.0
91.05482	6.4
93.07036	69.1
95.04955	3.4
95.08589	4.7
97.02883	3.0
97.06511	1.7
105.07020	6.7
107.08602	5.2
109.02905	1.4
111.08071	13.1
121.10133	100.0
123.08055	2.2
123.10683	1.0
123.11668	4.1
125.05974	3.1
127.03952	1.5
131.08517	1.7
139.11163	20.8
145.04935	2.5
149.09610	9.9
153.01756	6.3
167.10669	43.2
211.86278	1.1
246.55235	1.1
263.50351	1.2
311.14719	1.3
364.14337	2.8
365.14087	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50359	0.2
53.48259	0.2
69.03403	0.5
69.97916	1.3
70.06573	0.4
78.04694	1.7
79.05473	0.6
81.07034	0.3
82.20277	0.3
85.02886	0.9
91.05467	0.4
91.91650	0.3
93.07024	0.4
95.04965	0.4
97.02861	0.3
106.04165	0.9
107.04930	0.3
109.02844	0.3
117.16141	0.2
121.06504	0.6
123.04418	4.2
124.05186	1.6
135.04408	0.3
137.05960	0.3
139.03897	1.1
139.56979	0.3
141.09047	0.3
143.70306	0.2
145.04930	0.3
145.76671	0.2
151.03900	0.8
152.04681	1.2
153.01797	0.5
154.04971	0.3
163.03857	0.3
167.07025	100.0
168.07405	1.8
178.04874	0.3
184.04218	0.3
190.08632	0.7
191.07082	0.4
201.36453	0.2
202.05316	1.3
202.10678	0.4
240.11678	0.2
364.09933	0.3
364.13828	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	0.3
57.03389	0.4
61.02920	0.8
67.05482	0.6
69.03412	1.3
71.60057	0.3
73.02912	0.4
78.04694	1.5
79.05478	0.5
81.03397	1.0
84.08109	0.3
85.02901	4.1
86.03168	0.3
93.03364	0.3
95.04975	0.6
97.02890	1.9
98.97549	0.5
106.04140	1.2
107.04943	0.6
109.02841	0.5
116.78878	0.3
116.98609	0.8
123.04416	5.0
124.05198	2.1
127.03894	1.0
131.66415	0.3
134.99640	0.3
137.06009	0.5
138.05499	0.4
139.03886	0.8
139.05826	0.4
140.04642	1.0
145.04929	0.7
146.99661	0.3
151.03893	1.1
152.04694	1.5
153.01810	1.1
155.07024	1.0
156.10207	0.6
166.04961	0.9
167.07024	100.0
168.07410	1.6
170.05696	0.6
180.06517	0.4
180.08624	1.0
184.06020	0.9
184.09657	1.3
185.06451	0.6
185.08092	0.9
202.06081	0.4
202.10718	0.8
203.05260	0.9
208.06049	0.6
209.06381	0.5
219.01779	0.4
226.48289	0.3
237.02669	0.7
258.49561	0.3
365.10660	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	364.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
57.51841	0.2
59.82946	0.2
64.19400	0.2
65.03903	0.2
67.05500	0.2
68.14732	0.2
69.03415	0.3
70.06577	0.2
71.23177	0.4
78.04700	1.6
79.05469	0.6
80.91974	0.2
81.07034	0.3
84.04483	0.2
85.02904	0.5
93.07050	0.2
95.04948	0.4
96.35824	0.2
101.78660	0.2
104.74738	0.2
105.03378	0.2
106.04155	0.8
107.04983	0.4
109.02855	0.4
115.29742	0.2
122.03609	0.2
123.04430	4.3
124.05195	1.5
127.03929	0.2
134.03616	0.3
135.04401	0.3
137.05965	0.5
139.03900	1.1
145.06387	0.3
147.04373	0.5
149.02306	0.3
151.03876	0.9
152.04643	1.2
153.01840	0.4
154.04984	0.5
157.11739	0.2
163.03958	0.3
166.05037	0.3
167.07027	100.0
168.07376	1.8
177.16913	0.2
180.06529	0.4
189.45676	0.2
190.08585	1.5
191.07037	0.6
196.06129	0.3
198.01422	0.2
202.05263	0.5
208.06061	0.2
222.47685	0.2
364.13693	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	8.1
53.59513	5.7
55.05490	10.5
55.33448	5.6
56.07715	5.8
57.03437	5.9
57.22206	6.4
64.90070	6.7
67.05502	32.5
68.99783	7.1
69.03125	6.4
69.03424	67.5
69.55752	17.5
69.56173	36.0
70.06583	31.9
79.05479	10.6
79.52547	7.2
81.07067	33.4
83.04986	13.7
86.12846	5.3
87.04513	6.2
91.05479	31.9
93.07048	16.3
93.84590	6.2
95.04966	88.5
95.08605	84.1
99.04440	7.5
101.91524	7.2
102.39435	7.0
105.07001	31.8
107.04938	11.1
107.08578	21.9
109.02882	8.8
109.06509	43.4
109.10110	16.6
112.07597	41.4
115.03905	10.2
117.06999	18.4
119.08549	30.7
121.06490	28.0
121.10116	18.2
123.04467	8.0
123.08064	91.7
125.05985	8.6
128.06201	6.3
128.58401	6.1
129.06998	8.7
131.08568	20.1
133.10117	12.9
135.04427	7.2
135.08040	20.7
137.05963	25.2
137.15755	6.5
139.03920	8.0
141.06949	9.8
142.07710	8.4
143.08543	29.6
145.06425	17.2
145.10118	19.2
147.07962	26.5
151.07500	14.4
152.77171	6.8
154.07799	8.0
155.08571	24.9
156.09293	7.5
157.10135	16.6
158.08124	51.3
159.08041	43.0
159.11726	9.6
161.09622	15.3
165.06946	23.4
165.09096	8.5
166.07768	11.5
167.07068	6.8
167.08554	17.4
169.10106	18.6
171.08011	31.7
173.09587	53.4
175.07512	12.7
177.09052	16.8
178.07800	9.2
179.07021	53.1
179.08507	14.3
180.09396	17.1
181.06529	8.8
181.10072	15.9
183.08020	14.9
183.11691	29.3
185.09576	16.7
185.13162	7.6
187.11101	18.1
190.07816	10.0
191.10651	10.2
193.10066	26.7
195.08086	10.7
195.11667	25.1
196.08774	21.4
197.09589	19.6
199.07462	12.0
199.11234	14.5
201.12784	8.2
205.10286	7.9
206.10881	15.3
207.06470	21.2
207.10129	12.3
208.08769	10.6
209.09579	53.5
209.13252	10.6
210.10367	7.5
211.11156	53.5
211.14786	9.9
213.12723	37.0
215.10576	10.8
220.12535	7.6
221.09647	9.7
221.13301	6.9
223.11145	34.0
224.11885	12.1
225.12959	7.8
226.09923	7.9
227.10689	7.8
231.09953	6.8
231.13692	9.5
232.05579	6.8
233.09569	21.1
233.48631	6.3
234.10260	9.1
235.14735	16.2
237.09099	13.4
237.12756	19.0
239.10646	30.5
239.14314	24.9
241.12256	18.6
245.13474	7.2
247.11215	8.7
248.11932	22.0
249.12624	17.9
251.10632	19.1
253.11917	6.8
253.15878	22.8
257.15692	6.7
261.09164	10.5
263.14420	41.1
267.10077	14.6
267.13760	24.5
269.11649	27.2
276.11566	10.9
281.15353	79.9
291.13641	31.1
299.16431	36.0
309.14877	80.4
327.15903	100.0
345.16977	89.2
363.17856	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	363.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	2.5
65.70405	0.9
67.05499	1.9
68.03315	1.2
68.63641	1.0
69.03425	5.4
69.04158	1.2
70.06583	63.4
71.04977	1.1
71.60477	1.7
71.60852	1.2
76.80932	1.2
79.05463	1.1
81.03412	2.0
83.04951	1.4
85.02876	6.3
85.06572	1.4
87.04462	1.5
91.05463	1.6
95.04965	3.0
95.08590	2.1
97.02892	4.6
98.97570	3.7
99.04517	1.3
105.07039	1.2
107.04964	5.3
107.08613	1.2
109.02882	1.3
112.07590	76.7
116.07082	14.7
116.98597	4.2
119.04897	1.3
119.08558	1.2
120.79900	1.0
123.04415	2.6
123.08017	1.6
127.03893	2.3
134.99654	1.8
139.03891	2.9
140.07050	11.8
143.01978	1.4
146.99670	1.2
147.04356	1.2
153.01799	3.5
153.05484	1.4
154.04950	1.3
157.10139	1.6
158.08105	100.0
159.08290	2.1
166.05016	2.7
167.07034	7.9
171.06430	1.3
177.00630	1.9
179.06969	1.6
183.06619	1.4
183.08258	1.8
183.11801	1.4
184.05919	1.3
184.09671	2.1
195.11732	1.7
201.07602	1.5
201.12355	3.1
211.11290	1.1
217.08257	1.8
219.01697	1.4
221.05048	1.8
223.11369	1.1
231.09901	5.1
237.02789	3.5
253.12184	1.3
263.14148	1.7
267.03674	1.2
276.02597	1.2
280.76260	1.2
281.15234	1.5
303.01331	4.7
309.14645	2.3
321.08572	4.4
327.15881	2.9
345.16901	3.4
363.09821	2.3
363.17719	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	22.8
60.28593	8.3
69.03414	19.5
71.61105	10.9
72.08151	14.1
79.05508	9.1
81.03387	9.3
81.92227	8.0
85.02918	29.6
91.05494	11.6
94.45785	10.5
95.04985	9.8
96.02192	8.2
97.02894	9.3
98.97575	17.2
99.08096	11.0
109.06504	10.6
116.31620	8.5
116.63408	9.4
119.78993	9.9
125.13229	9.2
127.03917	10.3
134.99654	13.4
153.01788	16.4
161.05881	8.3
163.70175	10.3
167.07060	31.2
170.99596	12.7
181.04944	15.8
198.80374	9.4
201.05229	67.3
201.07065	11.9
219.01720	16.3
231.02814	12.8
237.02774	59.2
244.54507	11.1
276.02768	14.6
277.03558	10.6
286.06940	9.8
303.01379	78.2
303.12921	17.5
304.01138	9.2
310.07013	17.2
319.07187	12.4
337.08054	46.9
345.10800	16.1
360.09995	9.8
363.10501	100.0
363.16122	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56699	6.8
55.05493	34.6
56.41279	6.7
56.96572	10.2
57.07072	20.2
57.07395	6.5
67.05493	30.7
69.03417	15.5
69.07062	35.6
71.60235	10.5
71.60638	8.9
75.93512	8.1
79.05482	33.3
81.07063	100.0
83.04961	7.8
83.08613	29.6
85.02892	18.3
85.06527	9.6
91.05449	36.1
93.07037	53.5
94.33214	7.3
95.04947	10.9
95.08603	91.3
97.06513	7.5
97.10172	15.1
99.04438	11.1
99.08114	11.8
100.11237	27.4
103.05482	12.8
105.07028	41.3
107.04943	23.3
107.08572	31.8
109.06541	11.6
109.10136	46.0
110.10506	7.2
111.08048	12.1
113.05979	7.6
117.07024	10.0
118.98502	7.6
119.04927	18.6
119.08563	34.5
121.06526	17.4
121.10131	27.3
123.04376	17.6
123.08102	7.7
123.11647	11.4
124.93207	6.8
125.09637	18.7
129.07004	17.7
130.36105	7.6
131.04977	10.3
131.08568	15.4
133.06448	7.2
133.10136	20.1
135.04460	11.0
135.08049	11.6
135.11678	15.1
137.05986	18.8
137.09407	7.3
139.03876	8.7
143.08568	7.1
145.06377	7.2
145.10107	23.3
147.04399	23.1
147.11696	14.0
149.05925	12.8
149.13281	11.4
151.07487	18.3
151.11172	7.2
151.14897	7.5
153.01842	10.7
153.05486	16.9
157.10085	8.5
159.11696	18.1
161.05972	18.4
161.09599	8.2
163.07489	18.5
167.07057	51.9
175.03909	13.1
177.05394	7.5
179.06967	12.3
179.14301	7.5
181.04971	12.9
181.08568	41.7
182.15431	10.1
189.09077	40.2
207.06517	19.7
225.09082	9.7
241.08727	8.5
253.08604	12.5
257.11789	11.7
285.11060	14.6
307.26230	16.6
315.12027	16.1
317.13992	13.5
343.15469	12.1
343.22525	12.6
343.26324	9.4
361.05460	10.4
361.12772	22.4
361.16400	16.8
361.20001	20.8
361.23737	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	362.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
57.03421	0.9
60.04507	0.5
61.02906	0.9
67.05482	1.1
69.03429	2.4
69.89616	1.2
69.90018	1.3
70.06575	0.7
75.98920	0.4
79.05425	0.5
80.44028	0.4
81.03402	1.1
81.07052	0.6
83.04963	0.5
85.02900	8.8
86.09660	0.5
91.03891	0.6
91.05449	0.9
95.04929	0.6
95.08606	1.2
97.02872	1.9
99.04426	0.5
107.04910	0.8
109.02877	1.1
109.10149	3.2
117.07021	0.5
119.08552	1.9
123.04431	0.8
123.08058	1.3
127.03902	1.7
129.07031	0.6
132.05716	0.5
137.05988	2.0
137.09604	3.3
139.03857	0.5
145.04939	1.2
147.04425	0.5
147.08066	3.0
149.37961	0.4
153.01862	0.5
165.09103	100.0
166.09407	1.4
167.07085	1.2
171.30609	0.4
180.08649	0.7
183.10144	5.6
187.14255	0.5
189.09047	2.3
207.10086	0.7
231.10092	0.8
233.01965	0.4
235.07539	0.5
257.87048	0.4
276.02734	0.7
277.75183	0.4
291.12302	1.2
292.02890	0.5
303.01294	1.6
322.28958	0.4
362.11957	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2134
Annotation	O-Acetylcypholophine
Peak:m/z	Relative Intensity
55.01834	2.8
55.05501	3.6
56.96545	4.3
62.84475	2.6
63.84978	2.5
67.05500	3.4
69.95800	13.8
79.05477	4.1
81.07036	8.9
85.06483	2.9
91.05466	7.3
93.07026	10.7
95.04965	2.5
95.08585	6.1
97.02867	3.2
97.06533	2.7
105.07034	6.9
107.08566	6.8
109.06493	3.5
109.10146	4.6
119.08528	6.5
121.10107	3.2
123.04338	2.5
123.11720	2.8
131.08583	2.8
133.10078	5.5
143.08577	2.9
149.09578	3.0
159.11578	3.4
171.11743	2.9
184.38414	2.7
187.14822	3.1
201.49188	3.1
361.21286	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50290	0.3
55.05497	0.7
56.12498	0.3
57.07067	0.3
67.05485	1.0
69.03433	0.6
69.07062	0.7
69.34086	3.6
74.12792	0.3
79.05491	0.8
81.07045	1.4
85.06549	0.7
91.05479	0.9
93.07046	1.5
95.04947	0.9
95.08586	1.1
98.21528	0.7
105.07021	1.0
107.04975	0.8
107.08586	0.8
108.24454	0.3
109.10153	1.1
119.08575	1.2
121.10149	0.7
123.11687	0.4
125.09615	1.0
129.06990	0.8
131.08536	0.4
133.10091	0.7
135.08058	0.4
135.11702	0.5
137.05942	0.5
143.08525	0.5
145.10158	0.7
147.11635	0.5
151.07570	0.4
159.11667	0.4
161.05917	0.4
163.14818	0.4
165.05475	0.4
167.07047	1.6
181.08571	1.4
189.09079	1.0
205.54149	0.4
263.16141	0.6
267.10461	0.3
285.11136	0.6
314.11255	0.3
343.15408	0.4
343.22662	0.8
343.26352	0.5
361.23474	100.0
362.23807	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	17.4
57.07065	5.8
58.75027	4.3
66.06314	4.0
67.05498	27.5
69.03434	7.9
69.07062	40.1
69.52908	34.7
70.06575	7.6
71.26955	3.5
79.05485	12.7
81.07059	87.3
83.08610	19.8
85.02901	7.4
85.06552	8.9
86.09695	9.5
91.05465	17.4
93.07028	21.9
95.04960	5.4
95.08603	100.0
97.06509	7.4
97.10170	14.6
98.56369	5.2
99.04456	4.4
103.05466	6.5
105.07043	15.1
107.04952	10.7
107.08588	19.7
109.06513	5.3
109.10159	45.3
111.08076	6.7
111.11712	8.0
119.08567	10.8
121.06520	8.1
121.10123	18.2
123.11679	29.5
131.04900	5.8
131.08583	12.1
133.10121	10.0
135.11674	10.4
137.06015	6.9
137.13217	13.3
139.11154	5.0
147.04387	4.4
147.11623	4.4
149.13239	5.8
151.14767	21.8
153.05440	7.3
157.06490	4.7
161.05992	12.0
161.09560	4.9
161.13278	10.0
163.07564	5.3
163.14781	4.6
165.16455	5.3
167.07076	27.5
179.14197	4.9
181.08566	20.8
189.09119	14.9
189.16335	5.8
215.18007	5.9
225.09193	5.3
289.25345	8.4
307.26251	24.5
317.13763	7.6
325.27399	5.0
340.60370	4.7
343.15399	6.0
361.16422	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	361.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.01854	5.0
55.05490	5.8
57.03411	5.4
57.07047	2.3
61.02899	1.4
65.03909	2.8
67.05497	7.5
69.03421	8.5
69.07042	5.6
70.78706	5.2
71.04966	4.2
71.08602	1.6
77.03898	1.7
78.04704	2.2
79.05489	18.3
81.03395	4.8
81.06631	1.9
81.07045	18.0
83.04948	4.0
83.08598	3.1
85.02435	3.1
85.02900	33.7
85.06524	2.4
91.05473	26.2
93.07040	27.3
95.04967	13.0
95.08607	13.9
97.02888	5.7
97.06521	3.3
99.04448	3.2
99.08079	3.1
103.05473	13.1
105.03365	1.9
105.07026	15.7
106.04124	1.8
107.04942	33.4
107.08590	15.6
109.02858	3.4
109.06472	6.6
109.10132	6.4
111.04433	7.3
111.08035	3.9
115.05434	3.4
117.07005	7.8
119.04945	8.1
119.08569	6.2
120.05672	2.3
121.06484	24.0
121.10136	3.9
122.03638	2.0
123.04407	6.2
123.08051	2.5
124.05192	3.5
125.05991	11.9
125.09576	2.3
127.03917	6.7
128.06224	7.1
129.06992	30.5
131.04922	10.4
131.08554	12.3
133.02867	3.5
133.06471	6.3
133.10106	2.9
135.04384	4.3
135.08035	11.1
135.11668	12.3
136.05185	2.3
137.05963	22.3
137.13269	2.4
138.06738	2.0
139.07516	5.6
141.07007	2.1
143.04941	2.4
143.08566	2.4
145.04973	2.9
145.06451	9.2
145.10094	5.3
146.03564	1.8
146.07228	2.3
147.04410	7.6
147.08003	3.5
147.11720	1.8
148.05171	4.1
149.06041	7.1
151.03873	5.2
151.07539	21.9
152.04649	4.5
152.06091	3.0
153.01804	3.6
153.05450	16.7
153.12770	4.2
155.07080	1.7
157.06483	19.5
158.07184	2.1
159.08006	3.3
161.05972	35.7
161.09584	11.9
162.06499	2.5
163.07515	22.0
163.11133	7.9
165.05574	3.2
165.06984	10.1
165.09082	11.0
166.06256	11.2
166.07549	2.6
167.07037	71.4
167.08531	4.3
168.07433	2.8
169.06430	2.0
169.10141	1.6
171.08058	1.6
173.05937	1.7
174.06718	11.9
175.07533	9.2
177.05478	2.3
177.06898	1.8
177.09113	9.9
178.07780	2.4
179.03297	2.0
179.06995	6.5
179.08565	6.4
181.04997	4.1
181.06532	4.1
181.08585	100.0
181.12151	24.5
182.07239	7.1
182.08817	3.5
183.08022	3.4
187.07495	2.5
188.04686	1.6
189.09088	82.9
190.07823	2.3
190.09424	2.3
191.08556	4.2
191.10651	3.2
193.06532	2.7
193.08490	3.3
194.07240	5.9
195.08080	11.5
196.08734	1.8
197.06006	2.8
197.09595	11.0
199.07556	3.5
199.13269	64.4
203.10597	2.9
207.02902	3.0
207.08015	4.0
207.10161	16.6
208.08784	3.2
209.05994	3.2
209.09534	2.7
210.06723	6.5
211.07512	4.5
211.11182	2.7
219.07954	5.7
219.10011	2.6
221.05989	5.0
222.06644	2.8
223.07547	6.7
223.11157	5.3
224.08243	4.0
225.05453	2.2
225.09059	17.4
227.07002	5.9
229.12206	3.4
235.07526	4.3
236.08263	5.1
237.05367	2.0
237.09023	3.4
238.06140	3.4
239.06992	6.2
239.10619	2.0
240.07765	5.1
241.08522	6.0
242.09378	3.4
247.02449	2.2
247.07484	3.3
251.06987	5.3
251.10818	7.1
252.07765	2.1
253.08549	16.6
254.09250	2.3
255.06468	4.7
255.10086	7.1
256.03656	1.9
257.00772	2.2
257.08350	1.8
257.08926	2.2
257.11649	17.3
265.08572	2.3
267.06729	1.7
267.10220	4.2
269.08142	3.3
270.08749	4.6
271.09512	1.8
275.01703	1.6
279.10126	5.8
283.09634	11.9
283.13229	9.3
284.03107	1.8
285.00198	2.9
285.07944	2.3
285.11172	40.4
286.11450	2.3
287.09088	1.8
289.25284	2.4
296.10403	3.1
297.11285	3.5
299.09253	2.8
299.12732	5.7
300.09937	1.6
301.03247	3.1
302.11307	5.0
303.01443	2.3
305.13867	2.3
307.26086	2.3
311.12796	10.9
315.01266	4.3
315.04938	9.5
315.12189	18.5
317.13788	31.6
318.14365	1.9
328.02008	2.5
329.02847	2.0
329.13861	3.0
330.03610	7.4
331.00861	4.8
331.15237	5.6
343.15430	15.3
346.03214	16.3
347.03506	2.1
361.05502	92.2
361.12888	3.6
361.16565	19.8
362.05878	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	361.1644
Annotation	(8R,8'R,9R)-4,4',9-trihydroxy-3,3'-dimethoxy-9,9'-epoxylignan
Peak:m/z	Relative Intensity
53.03949	4.3
53.72036	2.7
55.01873	3.0
56.73796	2.6
67.05492	4.5
68.99809	3.0
70.06588	3.0
70.95048	5.7
70.95413	5.8
71.05017	3.1
79.05493	15.0
81.07031	5.9
85.02911	6.4
91.05479	40.0
93.07047	13.5
95.04970	12.4
95.08571	3.0
103.05457	32.0
105.04543	3.3
105.07040	20.4
107.04951	84.0
107.08614	3.9
109.06541	2.8
111.04469	6.3
115.05455	9.1
117.07030	8.4
119.04929	14.2
119.08563	6.2
121.06522	20.7
122.03664	5.6
123.04413	13.8
123.08057	3.0
128.06200	6.9
129.06981	19.8
131.04944	10.5
131.08563	12.9
133.02863	6.0
133.06479	10.9
134.97668	3.2
135.04425	7.7
135.08035	21.4
137.05972	63.2
137.06935	5.1
139.03917	6.2
145.06465	6.9
146.07275	3.0
147.04428	8.6
148.05154	7.3
149.06007	9.2
151.03929	5.0
151.07526	37.9
152.04625	3.1
153.01817	6.8
153.05438	17.5
157.06519	19.5
158.07253	4.3
159.07950	3.9
161.04631	4.1
161.05975	83.1
161.09605	17.8
162.06509	4.1
163.03897	12.3
163.07541	73.2
165.05479	14.6
165.07010	8.5
165.09146	7.1
166.06232	7.5
167.07034	54.5
167.08434	5.0
174.06773	11.2
175.07542	7.0
177.09111	9.3
179.07079	22.2
179.08440	5.4
180.07799	38.4
181.06812	4.7
181.08600	91.5
181.12212	5.0
182.07297	5.7
189.09111	100.0
191.03423	3.8
191.08612	3.4
191.10678	3.0
193.04919	3.7
193.06496	5.2
193.08589	3.0
195.08096	10.1
197.09564	7.0
206.11295	2.6
207.08250	5.9
207.10130	37.2
210.06900	7.0
213.08974	2.6
217.81677	3.0
219.08032	4.2
221.06004	5.6
221.09538	2.8
222.06778	4.5
223.07603	6.8
223.11145	4.1
224.08368	2.9
225.09006	16.0
227.10680	5.8
229.12111	3.5
235.07584	5.2
236.08467	3.4
237.05350	3.2
237.09047	4.1
239.04767	3.3
239.07011	5.9
239.10753	6.5
240.07658	3.5
251.06874	5.4
251.10735	6.8
253.08662	13.1
255.10205	6.6
257.11691	14.6
265.09195	3.6
269.04431	3.0
270.08859	3.0
283.09689	11.7
283.13223	8.0
285.11160	26.8
287.12665	9.0
297.03867	5.5
297.11035	3.8
299.12848	7.2
301.03519	6.8
302.11530	5.7
303.08884	4.0
311.12775	3.7
313.14426	8.9
315.04929	5.2
315.12292	11.2
317.13800	21.6
329.13644	3.6
331.15460	9.2
343.04633	9.1
343.15399	12.7
361.05719	4.3
361.16678	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01866	4.8
56.47115	1.9
57.03432	2.3
69.03407	3.3
69.07069	2.6
70.80145	3.0
70.80484	2.4
71.04995	2.4
79.05486	14.9
81.07047	4.5
85.02899	2.6
88.50658	1.7
91.05469	24.0
93.07049	13.0
95.04961	11.2
95.08605	2.8
97.06557	2.9
103.05448	13.4
105.07011	12.3
107.04946	39.3
107.08599	2.8
109.06469	3.1
109.10139	3.2
111.04479	3.1
115.05460	4.1
117.07014	7.4
118.04186	2.4
119.04920	5.8
120.05711	2.2
121.02934	2.0
121.06506	17.7
121.10093	2.2
123.04417	7.0
123.08034	3.6
124.05199	6.1
125.05955	7.1
127.03993	1.8
128.06230	7.7
129.06984	28.7
131.04912	11.9
131.08534	12.1
133.02881	3.4
133.06493	8.0
135.04388	4.1
135.08061	7.3
137.02354	4.5
137.05956	20.0
139.07579	2.3
141.06938	2.5
144.05707	3.0
145.06462	7.5
146.03654	2.4
146.07205	4.4
147.04395	5.6
147.08006	4.4
148.05170	5.4
149.05968	7.1
149.09618	2.4
151.03928	5.7
151.07545	20.2
152.04726	3.7
152.06110	2.4
153.01805	3.1
153.05452	13.3
153.06937	2.4
154.07767	2.6
155.07063	4.6
155.08496	1.8
157.06500	18.8
159.08075	2.5
160.05176	3.3
161.05969	61.0
161.09613	18.3
163.07523	21.5
165.06995	8.5
165.09099	7.0
166.06265	10.8
166.07613	2.9
167.07050	77.0
167.08557	7.6
169.10077	2.4
171.08113	2.6
174.06766	10.4
175.07545	7.8
177.05421	2.1
177.06909	1.9
177.09035	9.7
178.07768	2.5
179.06998	6.7
179.08578	4.8
180.36310	1.7
181.06644	4.7
181.08582	100.0
182.07301	7.3
182.08847	3.2
183.07977	2.2
189.09099	94.8
190.07791	4.7
190.09398	3.5
191.07005	2.3
191.08563	6.5
191.10654	2.8
192.09294	2.2
193.06477	4.7
194.07262	5.8
195.08037	10.6
196.08629	1.8
197.05930	3.2
197.09650	10.4
199.07500	2.4
199.16974	6.0
203.10611	2.4
205.10065	1.9
207.08192	4.5
207.10103	27.9
208.08763	4.2
209.05986	2.9
209.09579	3.3
210.06775	6.0
211.07596	3.3
211.11227	2.9
212.08302	3.2
218.07260	3.2
219.08093	4.5
221.05869	5.3
221.09453	2.1
223.07556	8.1
223.11273	2.5
224.08247	3.0
225.05550	3.1
225.09135	15.6
227.06985	6.4
227.10789	2.2
228.53415	2.2
229.12173	4.2
235.07555	5.0
236.08430	4.0
237.05457	2.3
237.09122	4.7
238.06427	2.8
239.07103	4.4
239.10696	2.9
240.07813	5.4
241.08604	3.2
242.09392	1.9
247.07642	3.4
251.06873	3.5
251.10741	8.7
253.08557	19.5
254.09283	3.4
255.06543	6.4
255.10144	7.7
257.08197	2.2
257.08917	2.5
257.11679	19.1
265.08661	3.2
268.07236	3.6
268.10767	2.7
269.07922	2.8
269.11786	1.9
270.08826	3.4
271.13254	4.5
279.10144	5.5
280.10852	2.0
281.08163	2.5
283.09650	15.5
283.13257	11.6
285.07971	3.8
285.11163	34.8
296.10294	2.1
297.11136	5.4
299.09232	4.8
299.12921	6.0
300.09705	2.9
302.11493	5.9
303.04813	2.7
311.12775	8.4
315.12238	22.1
317.13843	26.8
329.13544	4.4
331.15518	3.7
343.06699	2.6
343.15308	16.0
361.12253	2.4
361.16422	28.1
374.55811	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01918	1.2
53.03931	2.9
55.01866	1.8
65.03922	2.7
67.05508	2.1
69.03432	1.4
69.07057	1.5
69.35621	13.9
78.04725	1.4
78.24597	1.2
79.05487	11.9
81.03413	1.6
81.07059	3.3
85.02886	2.5
91.05472	22.6
93.07042	12.2
95.04971	8.9
95.08594	1.5
98.20995	5.3
98.21576	1.6
99.43993	1.3
103.05470	10.4
105.03384	1.4
105.07023	8.8
106.04118	2.0
107.04946	27.1
107.08572	2.6
109.06556	2.0
111.04437	3.2
115.05436	2.9
117.07011	5.9
118.04043	1.3
119.04926	5.8
119.08606	1.7
120.05714	3.4
121.06499	21.2
123.04412	7.8
123.08036	1.8
124.05202	5.3
125.06014	3.6
127.03897	2.0
128.05374	1.3
128.06171	8.6
129.06996	23.7
129.49590	1.3
131.04926	9.6
131.08551	10.9
132.05653	1.7
133.02814	2.8
133.06464	6.0
135.04419	3.2
135.08022	8.2
135.43910	1.2
136.05157	2.1
137.05959	18.2
139.07527	2.2
144.05708	1.5
145.06451	7.2
146.07285	2.2
147.04388	4.2
147.08011	2.5
148.05170	4.9
149.06007	6.3
151.03917	4.0
151.07535	17.5
152.04701	1.9
152.06226	1.7
153.01860	1.8
153.05441	14.5
154.19350	1.4
156.05675	1.7
157.06476	18.6
158.07227	1.9
159.08112	3.8
161.05971	35.6
161.09637	9.4
162.06575	1.6
163.07521	21.9
163.14833	2.9
165.05598	2.8
165.06888	7.5
165.09085	11.4
166.06279	10.5
166.07579	2.4
167.07050	62.8
167.08514	6.1
168.07350	2.8
173.05931	1.8
174.06757	12.8
175.07541	9.7
176.08369	1.7
177.06981	1.9
177.09058	8.7
178.07890	1.7
178.29781	1.4
179.06987	5.5
179.08559	5.0
181.05101	2.3
181.08586	100.0
182.07228	4.8
182.08754	1.6
183.07915	1.5
187.07512	2.1
189.09096	80.5
190.07800	1.6
190.09468	2.2
191.06905	1.6
191.08542	4.0
191.10658	2.8
193.06496	4.1
194.07205	4.4
195.08066	10.7
195.09909	2.0
197.05946	3.4
197.07918	2.3
197.09534	9.8
199.07544	2.3
199.16978	1.9
203.10529	1.7
205.06604	2.8
207.08058	3.7
207.10155	17.5
208.08765	3.2
209.05986	1.8
209.09624	1.8
210.06734	6.8
211.07523	6.0
212.08200	2.6
213.09068	2.0
219.08038	4.0
219.10135	2.7
221.05928	4.9
222.06757	3.3
223.07541	10.2
223.11172	3.6
224.08237	2.6
225.09065	17.4
226.06311	1.4
226.09613	2.7
227.07086	6.7
227.10724	1.9
229.12160	2.6
233.09595	1.7
235.07628	3.8
236.04845	2.1
236.08305	3.2
237.09053	4.3
238.06248	1.7
239.06960	6.0
239.10725	2.8
240.07813	8.0
241.08511	3.7
242.09373	2.7
247.07480	2.9
251.07027	4.6
251.10715	8.2
253.08589	14.0
254.09355	3.1
255.06479	3.6
255.10097	4.8
257.11731	18.3
258.12082	1.8
265.08551	3.0
267.06549	1.7
267.10150	2.6
268.07278	3.4
268.10989	1.9
269.08218	2.3
270.08908	3.8
271.13412	1.5
279.10107	3.6
283.09625	13.4
283.13239	7.0
285.07938	1.9
285.11157	30.6
286.11755	2.7
296.10248	1.7
297.11218	3.6
299.12820	4.8
300.09857	3.2
302.11380	4.0
311.12680	8.8
315.12244	19.1
317.13837	25.9
325.14282	1.9
329.13739	3.5
331.15457	3.6
343.15424	15.8
361.16458	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	361.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83373	0.4
53.03936	0.8
55.01860	1.0
55.05504	0.5
61.02910	0.6
61.64906	0.4
67.05508	0.7
69.03412	1.0
69.81705	2.3
69.82105	0.9
79.05484	8.4
81.03408	0.9
81.07036	1.6
85.02898	3.3
91.05473	4.5
93.06467	0.9
93.07038	12.6
95.04951	3.3
95.08592	0.8
97.02888	1.0
97.06506	1.2
103.05457	0.9
105.06963	0.6
107.04935	0.8
109.02863	0.7
111.08054	0.9
117.86242	0.4
121.06496	18.9
121.07368	1.0
122.06839	0.5
123.04427	0.8
123.08059	8.0
127.03903	0.4
139.07526	14.7
140.07854	0.6
145.04921	0.5
149.05959	5.0
164.34953	0.4
167.07028	100.0
168.07361	3.0
178.05032	0.5
185.08069	2.0
199.09637	31.1
248.13454	0.4
309.11841	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01864	1.3
57.03418	0.8
67.05491	2.0
69.03412	2.0
69.81963	3.5
70.06577	0.7
72.08134	0.8
77.03923	0.8
79.05486	9.7
81.03398	1.6
81.07044	2.7
84.08132	1.6
85.02911	5.3
91.05475	4.5
93.07035	14.7
95.04939	3.5
95.08604	0.9
97.02873	1.4
97.05898	0.6
97.06509	1.6
98.20766	0.7
103.05449	1.3
109.04247	0.7
110.05999	0.9
111.08089	1.2
112.07571	0.6
116.11857	0.6
119.04969	0.7
121.06501	20.0
122.06810	1.1
123.08055	8.8
127.03909	1.0
133.86676	0.6
136.07593	1.4
137.05986	3.0
139.03911	1.1
139.07526	15.8
139.08597	0.9
147.04350	3.1
149.05969	6.6
155.08147	2.7
165.09129	0.7
167.07034	100.0
168.07350	2.4
169.02568	1.3
185.08064	1.9
199.09549	26.4
200.10030	0.7
215.05214	0.9
233.65094	0.8
251.67500	0.8
349.02316	0.6
354.67926	0.7
361.08917	5.8
361.15991	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
57.03411	1.0
67.05497	0.6
68.99773	1.1
69.07050	0.5
70.06577	2.0
71.11553	1.0
71.11933	0.9
79.05489	1.0
81.07046	1.0
83.01321	0.7
85.20172	0.5
91.05471	1.3
95.04939	1.3
95.08591	0.7
98.97607	0.7
105.07033	1.1
107.04921	0.9
107.08616	0.7
117.06995	1.8
119.04979	2.3
121.06529	3.2
121.18739	0.5
123.04427	20.0
125.02361	0.5
135.04407	1.4
135.08034	3.2
136.07570	1.5
137.05963	0.9
139.03888	1.3
145.06480	2.8
147.04414	6.6
148.05186	0.5
149.05966	1.6
151.03912	1.1
154.04596	0.5
157.06503	0.9
161.05981	1.7
163.03891	1.4
163.07545	13.2
165.05458	4.1
167.06992	0.6
173.05988	5.6
175.07643	0.6
176.04576	0.7
179.07043	4.2
185.06073	0.9
187.07451	0.5
188.07018	0.6
190.08630	10.7
191.07022	52.1
192.07333	1.1
203.07018	2.8
208.09682	100.0
209.10023	2.0
220.09663	1.3
325.10684	4.1
330.09238	0.5
342.13290	4.1
343.11737	3.5
360.14398	36.9
361.14673	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.4
55.12711	1.3
57.03432	10.2
61.02917	5.1
61.23666	1.4
62.06054	1.1
66.11309	1.3
68.36228	1.1
69.03426	35.9
69.03801	2.3
71.04987	2.4
71.11755	2.3
73.02908	5.3
73.75821	1.1
81.03410	3.6
85.02898	100.0
87.04472	1.5
91.03936	1.2
97.02278	2.4
97.02888	37.7
98.03239	1.4
99.04459	8.5
101.02352	5.7
109.02847	5.8
115.03915	3.9
127.03904	86.5
128.04306	1.4
145.04948	72.8
152.62846	1.1
163.06018	27.4
165.54501	1.0
167.07085	1.4
180.08611	5.8
181.07010	2.0
198.09686	1.6
224.62158	1.3
271.40182	1.3
289.09134	1.5
295.44138	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78947	0.9
57.03429	1.4
60.04503	1.0
62.86515	0.6
65.30997	0.8
67.05486	1.9
68.99773	2.7
69.03387	0.8
69.79206	5.2
70.06589	8.6
72.08144	1.2
79.05477	1.2
81.03390	1.2
81.07021	2.1
81.07463	0.7
84.04501	0.9
85.02884	1.9
86.09695	1.4
86.90055	0.7
91.05470	4.4
93.07028	1.4
95.04971	6.8
95.08592	1.0
97.02885	0.8
98.20838	1.6
103.05467	1.2
105.03368	1.2
105.07001	2.1
107.04929	2.3
107.08581	1.7
109.02800	0.8
109.06493	1.1
109.10108	0.8
114.81280	0.7
115.05440	1.5
117.06975	3.6
119.04939	10.1
121.02860	1.2
121.06481	5.0
123.04420	66.8
127.03846	1.5
127.51582	0.7
129.06885	0.9
130.06506	0.9
131.04897	1.1
135.04407	4.4
135.08006	4.1
136.07558	3.0
137.05959	4.2
138.05505	0.8
139.03877	1.7
145.04919	0.8
145.06471	4.7
147.04404	35.2
147.07970	1.5
148.04863	1.0
149.05981	4.1
149.06973	0.7
151.03865	3.9
157.06470	1.4
160.10777	0.7
161.05943	5.1
162.09081	0.9
163.03903	5.1
163.07524	16.0
165.05460	16.0
167.07013	1.4
173.05965	7.6
175.03773	0.6
175.07532	2.6
177.05446	2.0
179.07040	7.3
181.04996	0.9
185.06007	2.5
186.05504	1.4
187.07484	1.8
189.05447	0.8
190.08617	16.9
191.07018	81.6
192.07336	1.1
198.02058	0.8
203.07050	5.9
205.08627	1.0
207.06438	1.6
208.09680	46.2
209.09987	1.0
215.07120	1.3
220.09688	2.4
221.08092	2.5
233.04398	1.2
297.28711	0.9
307.09619	1.5
324.12061	1.1
325.10666	9.3
342.13272	5.5
343.11716	21.4
344.12213	0.8
360.14368	100.0
361.09128	6.9
361.14322	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	360.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
60.04520	0.4
61.02945	0.7
62.59578	0.4
65.03931	0.5
69.03426	1.2
70.06603	0.7
71.03763	0.9
71.04091	0.5
81.03420	0.7
82.73666	0.4
85.02904	3.5
91.05465	0.7
92.58912	0.5
95.04948	0.8
97.02879	1.1
101.45927	0.4
107.04949	1.1
121.02872	3.0
123.04421	1.5
127.03920	1.2
133.02841	2.5
135.04417	1.5
145.04900	0.9
147.04340	0.5
149.02336	100.0
150.02682	1.5
153.01794	0.5
161.05841	0.6
163.03900	65.7
163.07574	1.7
164.04286	1.6
165.05461	0.6
166.03853	0.4
167.03406	2.9
167.07036	0.4
179.07048	0.5
180.08760	0.5
181.04950	32.8
191.03299	0.5
191.07068	2.3
208.09647	4.3
213.64615	0.5
360.14496	1.6
361.08954	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11354	5.5
55.05513	30.9
56.96564	4.8
57.07076	7.0
67.05511	36.2
68.69290	5.2
69.03436	6.3
69.07072	45.3
70.72795	6.2
70.73150	15.0
71.04986	6.8
79.05473	31.4
81.07056	100.0
83.08625	14.1
85.02873	7.2
85.06527	10.2
91.05474	24.2
93.07024	65.3
95.04973	9.2
95.08597	95.6
95.25527	5.1
97.02901	6.3
97.06538	12.6
97.10162	20.5
105.07045	26.6
107.04977	7.2
107.08584	59.1
109.06512	5.2
109.10136	46.3
111.08076	8.4
119.08597	26.8
121.06544	6.0
121.10156	40.2
123.04455	5.2
123.08109	5.7
123.11666	30.0
125.09624	9.3
131.04936	8.7
131.08571	8.7
133.10138	32.7
135.11684	20.5
137.05988	11.2
137.09579	6.9
139.11162	8.2
141.06937	7.2
143.08499	6.0
145.10197	10.9
147.04427	11.7
147.11710	24.5
149.13251	56.9
153.01790	11.0
153.05511	8.5
159.11693	15.0
161.13219	12.0
163.11157	6.3
163.14838	7.5
165.05467	6.1
167.07085	6.4
170.67062	6.1
175.14839	11.8
177.12666	6.8
177.16429	6.0
181.05025	5.9
191.14322	5.8
197.06000	9.9
203.17970	5.9
241.08725	5.7
253.08501	7.0
275.23608	5.9
277.25357	9.7
283.09628	5.4
287.23633	9.2
293.10464	5.3
293.24664	9.0
300.09930	5.5
305.24802	35.7
313.10614	18.4
313.14072	11.8
323.25861	8.8
327.12262	12.8
341.13901	12.1
359.11157	6.5
359.14911	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	4.4
55.05504	24.6
56.96553	4.4
57.03385	4.4
57.07058	6.5
67.05497	37.3
69.03417	7.0
69.07059	42.4
71.01381	9.5
71.01761	8.1
71.04972	6.2
79.05475	24.2
81.07050	100.0
83.04970	4.7
83.08607	16.9
83.30296	3.9
85.06506	5.5
89.50497	4.4
91.05456	15.9
93.07027	60.3
95.04957	8.7
95.08597	88.2
97.06532	11.1
97.10147	14.7
105.07037	35.6
107.08584	58.4
109.06503	7.8
109.10162	57.8
111.08105	9.2
111.11697	6.6
117.07005	4.2
119.08577	27.0
121.06477	4.8
121.10152	35.1
123.08087	4.6
123.11686	29.5
125.09570	9.0
131.04916	5.4
131.08539	6.2
133.10118	29.2
135.11671	31.4
137.05965	9.4
137.09587	7.3
137.13277	8.0
139.11188	5.2
145.10112	11.1
147.11674	18.8
149.13251	33.2
151.11201	7.4
153.01822	6.2
159.11748	7.7
161.06001	5.9
161.13248	13.9
163.14818	11.6
165.12717	5.8
167.07034	5.5
175.14749	12.1
177.16353	10.5
187.14743	5.6
189.16377	9.1
197.13310	5.2
207.09923	4.6
218.09691	3.8
237.08974	4.6
243.65121	4.5
253.08437	5.5
257.22559	5.9
259.24167	8.6
277.25253	12.5
287.23645	12.0
293.24576	9.2
297.07431	4.7
300.09982	5.6
305.24692	44.0
313.10626	9.9
313.14197	7.7
323.25693	5.3
341.13797	7.2
359.10968	7.2
359.14859	16.0
359.29782	4.6
360.15219	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	359.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.3
55.05504	30.4
57.07064	10.3
61.08604	4.8
67.05489	37.1
69.03431	11.2
69.07061	40.0
70.29149	11.0
70.29547	9.3
71.04977	5.5
79.05479	23.9
81.07045	100.0
83.08608	14.7
83.93616	5.9
85.06496	5.7
91.05468	17.2
93.07032	62.8
95.04935	6.8
95.08594	77.2
97.02834	5.7
97.10124	14.2
98.21407	6.6
105.07002	35.2
107.04921	5.8
107.08579	63.6
109.06453	6.4
109.10152	47.3
111.08029	7.4
119.08577	30.5
121.10120	45.1
123.08005	7.4
123.11684	34.0
125.09631	10.0
131.08455	5.6
133.10144	26.3
135.08142	5.1
135.11664	35.0
137.05934	8.8
137.09602	7.4
137.13232	6.9
144.65550	5.4
145.10057	10.0
147.11662	19.0
149.13266	52.6
157.10080	5.4
159.11681	11.4
161.13251	18.6
163.14778	14.4
173.13171	7.4
175.14851	7.9
189.16385	14.0
222.82321	5.4
224.00548	5.2
234.07671	5.0
259.24289	6.6
277.25235	13.2
287.23596	13.9
293.24756	15.4
305.24637	49.3
313.10651	20.8
323.25763	20.9
341.13785	12.1
359.14795	21.2
359.29306	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	359.279
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
50.31515	3.8
53.74435	4.4
54.09072	4.2
55.05515	22.9
57.07079	6.3
67.05496	34.1
69.07055	33.7
69.90310	24.9
71.04966	4.7
79.05500	21.9
81.07049	100.0
83.08607	22.0
85.06528	5.1
91.05477	13.7
93.07040	68.8
95.04996	5.9
95.08598	85.9
97.06512	12.6
97.10182	13.1
101.71478	4.3
105.06990	23.6
107.08582	59.3
109.06548	5.0
109.10154	60.0
111.08039	7.0
111.11678	4.6
119.08581	29.7
121.10117	46.4
123.04418	5.4
123.11681	34.7
125.09631	9.7
128.29744	4.7
131.04878	5.0
131.08524	6.8
133.10161	24.0
135.11658	30.5
137.13269	5.8
139.11221	6.6
145.10196	6.3
147.11681	21.3
149.13234	71.0
151.11188	6.0
157.12260	5.0
159.11684	11.0
161.13266	10.9
163.14867	17.4
165.12741	9.2
167.07025	5.1
169.77090	4.5
172.05035	5.5
173.13193	5.3
175.14792	7.8
177.16382	9.7
189.16373	11.3
190.73352	4.7
199.14883	5.6
217.61719	4.5
218.05591	5.8
240.04214	4.6
259.24274	7.2
269.22614	7.0
277.25314	19.5
287.23596	7.9
291.68802	4.7
293.24768	16.4
305.24738	55.1
313.10617	10.2
313.14124	7.2
323.25726	7.3
341.13904	5.6
359.14865	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37506	2.3
55.01861	2.9
55.05507	21.9
57.03426	2.6
57.07054	6.8
59.04996	2.3
64.10930	2.1
65.03935	6.3
67.05495	29.8
68.99741	2.1
69.03404	6.3
69.06712	4.1
69.07063	41.1
70.75798	6.2
71.04977	5.2
79.05496	15.2
81.07050	99.5
83.04971	4.0
83.08591	11.7
84.08134	2.9
85.02884	8.7
85.06530	13.9
89.83903	2.5
91.05449	10.4
93.07034	39.2
95.04951	5.4
95.08605	79.2
97.02844	2.5
97.06516	7.0
97.09736	1.9
97.10172	20.6
99.08090	5.3
101.06023	2.5
105.07033	13.6
107.04938	8.4
107.08591	40.9
109.06496	3.8
109.10149	32.3
111.04449	5.4
111.08075	19.9
111.11704	8.3
119.08596	11.6
121.02856	5.2
121.06448	2.8
121.10132	28.9
123.04453	7.3
123.08025	2.5
123.11697	61.5
125.06002	4.8
125.09629	4.3
127.03960	2.8
128.76567	2.0
131.08592	2.8
133.10118	9.7
135.08060	5.1
135.11667	17.4
135.48109	2.1
137.05952	6.5
137.09581	3.7
137.13251	22.5
139.03870	3.3
139.11186	16.4
141.12685	3.3
144.05725	2.6
145.06483	4.4
145.10109	5.0
147.11673	8.4
149.02219	3.2
149.13243	43.6
151.03891	6.9
151.11166	2.8
153.01797	4.9
153.05431	4.5
153.12729	8.3
155.14270	8.4
156.94096	2.4
157.12238	16.5
159.08009	6.6
159.11678	4.4
161.05989	2.9
161.09615	2.5
161.13254	6.1
163.07579	3.1
163.11115	3.1
163.14807	7.5
165.06967	4.7
167.07054	7.2
167.08484	2.9
167.14272	4.3
169.12186	3.5
171.13890	2.5
175.14787	3.4
177.16403	4.0
178.07742	4.2
179.07082	3.8
181.04955	23.9
181.06468	5.0
183.07962	3.9
187.13298	23.6
189.16374	3.7
194.07201	3.4
195.08058	7.1
197.06093	3.0
197.08087	5.4
197.11748	2.6
203.08598	2.4
203.12764	4.6
203.17827	2.6
206.07166	2.4
207.08078	2.9
210.06723	3.7
211.07462	5.9
212.08240	4.5
219.73662	2.0
221.09550	9.0
222.06747	3.2
223.07526	6.9
224.08270	3.9
224.48589	2.1
225.09053	3.3
227.07019	3.5
233.06012	2.4
235.07454	3.2
237.09064	6.9
237.18527	3.5
238.09933	4.5
239.06828	3.4
240.07808	12.9
241.08347	3.5
249.09016	8.5
249.18394	2.4
251.07053	4.7
251.10599	3.7
252.07639	5.4
253.08621	21.6
253.12199	6.9
254.09229	3.1
255.06503	6.0
255.10301	3.0
257.08032	6.6
258.91232	2.7
259.24063	2.6
265.08597	5.3
266.09381	6.1
267.10117	5.7
268.07260	6.3
269.08063	11.2
270.08670	4.3
277.25159	3.4
281.08188	7.1
281.11649	11.6
282.08676	2.4
283.06204	4.1
283.09613	13.2
284.10254	2.5
285.07861	4.5
285.11386	2.9
287.23849	3.7
293.24615	11.5
295.09671	3.5
297.07574	6.5
297.10950	2.9
298.08289	5.9
299.12515	5.6
300.09766	11.9
305.24695	37.6
309.11234	8.2
310.11780	3.7
313.10654	66.9
313.14322	44.9
314.10950	7.9
314.14273	4.0
323.25787	16.5
326.11572	4.3
327.08481	2.7
327.12241	34.9
328.12613	3.5
331.15378	12.1
341.13785	39.1
342.14221	4.9
359.14835	100.0
359.19315	4.8
360.15225	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	359.279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12968	1.7
53.03932	3.5
55.01873	2.7
55.05510	24.9
57.07071	8.5
59.01672	1.7
59.05010	2.7
65.03945	2.2
67.05505	27.5
67.36395	1.5
69.03389	1.6
69.07066	42.2
70.92204	3.8
70.92589	2.6
71.04995	4.8
73.06586	1.8
74.22397	1.7
79.05494	15.3
79.98405	1.9
81.07052	100.0
83.04983	3.4
83.08607	9.9
85.02881	2.2
85.06544	11.9
91.05481	8.0
93.07045	40.2
94.04949	1.7
95.04959	3.2
95.08604	73.3
95.99678	1.6
97.06535	6.7
97.10166	24.9
99.08095	4.9
105.07053	13.6
107.04948	4.4
107.08585	42.3
109.06500	2.3
109.10156	30.1
111.04414	2.0
111.08077	22.2
111.11683	8.7
115.87223	1.8
119.08599	7.5
121.02835	2.1
121.06495	3.2
121.10141	23.8
123.11701	64.4
125.09620	4.0
125.13349	1.9
131.08571	2.0
133.10132	5.8
135.11681	14.1
137.06027	2.5
137.13240	22.5
139.03880	2.1
139.11182	17.1
141.12790	6.2
142.36751	2.1
143.10701	2.1
145.10110	3.4
147.11707	5.6
149.13248	44.8
149.14372	3.4
151.03903	2.0
151.11203	3.1
153.01846	5.0
153.12741	6.3
155.14336	6.4
157.12245	14.0
159.11694	2.6
161.13257	4.8
163.14836	7.8
169.12296	2.9
171.13808	3.1
175.14807	2.8
177.16362	2.1
179.14421	2.1
181.04964	3.5
187.13292	26.3
195.13707	2.3
202.37907	1.6
203.12753	4.4
203.17947	3.1
211.07539	2.3
220.87836	1.7
221.09644	2.2
223.07530	2.1
223.16914	3.7
237.18594	2.4
238.09845	2.2
240.07858	2.3
249.18680	3.6
253.08649	3.0
269.07855	2.2
277.25330	4.9
281.11819	1.9
287.23615	3.2
293.24722	12.2
300.09747	4.2
305.24731	48.9
313.10663	10.8
313.14349	7.1
323.25845	16.4
327.12378	8.5
328.12543	2.5
330.14621	2.6
331.15469	3.4
341.13757	7.2
359.14810	24.1
360.15451	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	359.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
55.05495	0.4
57.03405	0.9
61.02914	1.5
67.05499	0.5
69.03424	3.2
71.04588	0.3
71.04955	1.0
73.02895	1.1
79.05484	1.8
81.03393	1.1
81.07061	1.6
85.02898	9.4
87.04478	0.5
91.05460	2.0
93.07037	5.0
95.04984	0.4
95.08584	1.1
97.02876	2.6
99.04447	0.8
105.07027	6.0
107.08587	30.4
108.08915	0.7
109.02866	0.6
109.06496	1.0
109.10130	1.2
119.08560	4.7
121.06475	0.7
121.10128	5.2
123.08056	0.3
123.11677	1.2
123.86136	0.3
127.03893	1.5
131.08540	0.7
133.10120	18.5
134.10397	0.4
135.04570	0.3
135.11694	0.9
137.05971	0.7
137.09590	0.9
139.07513	2.1
143.08580	0.9
145.04915	1.0
149.09616	3.7
151.07567	0.9
151.11168	6.5
161.09604	6.4
166.06151	0.3
167.10657	11.9
168.09682	0.3
168.11038	0.4
179.10660	15.9
197.11713	100.0
198.02176	0.4
198.12050	3.4
223.11153	0.4
313.03555	0.4
324.66248	0.4
359.16763	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52818	0.8
53.03921	0.9
55.01878	1.4
57.03426	1.9
57.95247	0.7
61.02919	3.6
69.03419	6.7
70.97617	1.4
70.97924	1.0
73.02905	0.7
79.05500	0.9
81.03417	3.0
81.07047	1.3
85.02900	26.2
91.03982	1.4
91.05438	3.7
93.07033	5.9
95.04964	1.9
97.02888	4.7
99.04458	1.1
105.07027	5.5
107.08588	18.3
109.02873	2.6
109.06519	0.9
109.10150	1.5
119.08569	2.0
121.06527	2.2
123.04433	1.0
127.03928	5.8
133.10118	18.6
135.11685	16.7
137.06024	1.1
137.09596	1.0
143.95500	0.9
145.04959	2.9
151.11220	1.4
161.09622	10.4
179.10664	32.2
180.10999	0.9
191.07080	1.2
197.11725	100.0
198.12169	4.0
208.09621	1.5
319.69119	0.9
359.16830	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1698
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03935	0.5
53.99870	0.4
55.01867	0.7
57.03425	0.8
57.78115	0.3
59.13787	0.4
59.27084	0.3
61.02906	1.3
67.05500	0.7
69.03435	2.9
69.59009	2.7
73.02916	0.8
73.91219	0.3
78.79968	0.3
79.05485	1.2
79.18133	0.3
81.03413	0.9
81.07052	1.1
82.41055	0.3
84.70537	0.4
85.02906	7.4
87.04491	0.5
91.05467	3.0
91.93748	0.3
93.07043	4.2
95.04944	0.4
95.08592	1.5
97.02890	2.0
97.06508	0.4
98.21527	0.4
105.07021	4.3
107.04950	0.6
107.08591	27.2
107.34663	0.4
108.08911	0.7
109.02888	0.7
109.06535	0.7
109.10133	1.0
119.08582	4.2
121.06469	0.6
121.10149	5.1
123.08051	0.5
123.11724	1.0
127.03898	1.2
131.08519	0.7
133.10127	15.1
134.10431	0.8
135.11676	0.6
137.05931	0.8
137.09573	0.5
139.07574	1.2
143.08548	0.5
145.04941	1.3
149.09605	3.4
151.07536	1.0
151.11183	6.5
161.09605	4.8
167.10683	10.4
168.10974	0.4
179.10670	13.5
180.10986	0.5
183.08371	0.3
184.42934	0.3
197.11728	100.0
198.12070	3.7
209.16350	0.4
221.19995	0.3
266.97070	0.3
313.03391	0.4
344.21924	0.3
359.15384	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1486
Annotation	Leptolide
Peak:m/z	Relative Intensity
52.46445	0.4
52.65334	0.4
55.01856	1.0
55.05477	0.6
65.03931	4.0
67.05476	1.7
69.03411	0.8
69.90054	2.6
79.05470	1.0
81.03385	0.6
81.07027	1.5
82.04170	0.8
85.02865	1.5
91.05453	1.5
93.03400	1.1
93.06987	0.6
95.01337	0.6
95.04959	1.0
95.08559	0.8
97.06541	0.4
98.20833	0.9
103.05383	0.6
105.06998	1.4
107.04916	2.2
107.08571	0.9
108.02052	0.6
109.02812	0.5
109.06512	0.5
109.10148	0.7
110.03662	2.4
111.04414	2.6
115.05447	0.6
117.06985	0.5
121.02862	6.8
121.03761	0.7
121.06485	1.4
121.10120	0.6
123.04400	1.0
125.05956	3.5
128.06221	0.6
129.07043	0.9
131.04903	1.3
131.08540	0.8
133.10063	0.5
135.08038	3.0
137.05899	0.6
138.03049	0.6
141.06970	0.8
144.05688	1.9
145.06462	1.6
147.08032	1.0
147.11667	0.8
149.02321	2.6
149.06035	0.8
151.03879	1.1
152.06195	0.8
153.01833	0.9
153.05449	3.8
153.06795	1.0
159.08034	4.6
161.05974	1.7
161.09570	2.1
162.06670	0.9
165.06987	3.2
166.07813	0.6
167.07034	2.7
167.08539	2.1
169.06471	0.9
171.06520	1.5
177.06985	1.3
177.09113	0.6
178.07796	2.3
179.08592	1.4
181.04970	18.8
181.06465	3.1
181.10052	0.5
182.07262	1.6
183.08037	1.7
184.05177	0.8
184.08853	0.7
187.07523	1.6
189.06982	0.8
191.08580	1.3
192.09299	0.5
193.06459	1.3
193.10068	0.6
194.07162	2.2
195.04448	0.5
195.08012	7.4
196.05222	0.9
196.08720	1.0
197.05942	3.2
197.09564	2.7
199.07483	0.7
199.11130	0.7
202.07751	0.9
203.08580	1.0
205.06490	1.6
205.08421	0.5
205.10419	0.5
206.07259	2.2
207.08035	2.1
208.08803	1.2
209.06076	2.6
209.09593	2.0
210.06750	3.6
210.10303	0.9
211.07507	4.5
211.11157	0.8
212.08299	3.1
213.09096	1.5
219.08014	2.0
220.08768	1.0
221.06009	1.4
221.09601	8.0
222.06685	2.6
222.10352	1.7
223.04059	0.7
223.07545	7.7
223.11160	1.3
224.08237	4.1
225.05345	1.3
225.09065	4.4
226.06250	0.8
226.09816	0.6
227.07027	4.0
227.10486	2.2
231.07970	0.6
232.08923	0.5
234.06737	1.5
235.07419	2.6
237.05518	1.0
237.09077	7.9
238.06303	3.0
238.09851	7.4
239.07040	4.6
239.10637	2.0
240.07761	9.9
241.08525	2.0
242.05742	1.3
242.09348	0.8
247.07545	0.6
248.08286	1.1
249.05318	0.6
249.09038	4.4
249.11108	0.6
250.09782	2.5
251.06990	4.8
251.10745	1.3
252.07809	5.5
252.10435	0.5
252.11504	0.7
253.04659	0.9
253.08577	19.9
253.12216	8.1
254.09387	3.1
255.06525	5.0
255.10129	7.7
256.06900	0.7
256.10831	0.8
257.08014	7.0
257.11224	0.7
263.10510	0.6
264.11475	0.5
265.08545	5.9
266.09299	5.0
267.06509	2.0
267.10129	5.0
268.07285	4.8
268.10104	0.7
269.08041	11.0
270.08789	2.2
270.12454	0.6
271.09604	1.0
271.13086	0.9
272.10330	0.7
277.08664	1.1
278.09750	0.5
279.06555	1.1
280.07336	0.7
281.08075	7.1
281.11691	8.3
282.08844	1.2
282.12341	1.2
283.06030	2.8
283.09625	14.4
284.10269	3.1
285.07507	2.9
285.11063	2.1
285.14545	0.8
294.08704	1.0
295.09579	2.0
297.07578	5.6
297.11172	1.8
298.08310	8.0
298.11951	3.1
299.09207	0.9
299.12683	6.1
300.09891	13.3
300.13269	0.9
303.15842	0.6
309.11172	5.6
310.11993	2.3
311.09113	1.3
313.10657	68.5
313.14319	46.6
314.10889	1.7
314.14508	1.1
316.13077	0.6
325.10632	0.9
326.11450	5.0
327.12225	29.7
328.12839	2.3
331.15347	17.0
341.13785	39.5
342.14035	1.0
359.14838	100.0
360.15118	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1484
Annotation	Leptolide
Peak:m/z	Relative Intensity
55.01860	1.1
65.03929	4.7
67.05472	1.7
69.90090	5.1
71.24274	0.8
79.05491	1.0
81.07034	1.1
82.04192	1.2
85.02890	1.2
91.05459	2.5
93.03395	1.2
93.15829	0.8
95.04974	1.8
97.06499	1.0
105.06983	0.9
107.04948	3.9
110.03651	3.7
111.04426	4.6
115.05453	1.8
121.02832	9.7
121.06490	1.3
123.04426	1.3
125.05965	4.8
129.06961	1.5
131.08521	1.0
135.08064	3.9
137.05994	1.1
138.03070	1.1
141.06940	1.1
143.04991	0.9
144.05714	2.8
145.06451	1.9
147.07988	1.1
149.02309	2.6
151.03917	1.6
153.05434	4.7
153.06766	0.8
159.08009	7.2
161.05997	1.7
161.09613	2.6
162.06743	1.0
165.05647	0.8
165.06975	3.7
166.07605	1.2
167.07039	5.0
167.08560	2.2
169.06470	2.5
171.06535	2.4
171.07886	1.1
174.06693	0.9
175.07515	0.9
177.06921	1.0
178.07794	3.4
179.08528	2.7
181.04964	28.5
181.06487	3.8
181.10132	1.1
182.07256	2.9
183.08087	2.4
184.05016	0.8
187.07555	1.3
189.06989	1.6
190.07677	1.0
191.08539	2.1
192.09267	1.0
193.10165	1.3
194.07269	2.5
195.08054	8.5
196.08766	1.6
197.06006	4.6
197.09602	3.0
198.06659	1.0
199.07524	1.6
202.07800	1.0
205.06506	1.5
206.07219	2.3
207.08037	2.7
208.05179	1.1
208.08702	1.3
209.05907	3.1
209.09619	3.3
210.06731	6.3
210.10320	2.2
211.07501	5.6
211.11133	1.0
212.08321	5.0
213.09091	1.3
219.08067	2.8
220.08771	2.0
221.05949	1.7
221.09535	9.2
222.06723	2.6
222.10381	3.4
223.07501	11.4
223.11072	1.8
224.08287	6.0
225.05479	1.2
225.09045	5.7
226.06273	2.0
227.06979	6.9
227.10655	3.0
234.06783	2.0
235.07420	2.7
235.10999	1.0
236.04643	1.0
236.08315	1.4
237.05223	1.3
237.09087	8.5
238.06203	4.1
238.09802	9.1
239.07034	6.7
239.10646	2.5
240.07784	14.3
241.08536	4.8
242.05750	2.5
242.09331	0.8
249.09082	6.2
250.06238	1.2
250.09760	2.4
251.07013	7.8
251.10626	3.1
252.07790	6.7
253.04797	1.1
253.05722	1.5
253.08572	28.0
253.12209	11.5
254.09155	3.5
255.06537	6.5
255.10182	9.1
257.08063	9.7
257.10776	1.1
263.07202	0.8
263.10599	1.4
265.08554	7.7
266.09332	8.1
267.06522	2.3
267.10101	6.7
268.07306	6.5
269.08066	14.0
270.08850	4.3
271.09439	1.0
272.10422	1.2
277.08557	1.9
279.06445	1.2
280.07254	1.5
281.08063	10.4
281.11697	10.9
282.08768	1.7
282.12256	1.2
283.06027	3.8
283.09610	18.4
284.07132	1.0
284.10272	4.6
285.07568	4.9
285.11169	3.0
285.14767	1.8
294.08960	1.5
295.09561	2.0
297.07544	7.0
297.11160	2.1
298.08304	9.9
298.11981	3.9
299.08994	1.1
299.12753	10.0
300.09875	22.4
300.13245	1.5
309.11133	6.4
310.11957	2.9
311.09253	2.2
312.09720	1.0
313.10654	86.4
313.14319	52.6
314.10977	4.3
314.14407	2.0
325.10693	1.6
326.11285	4.4
327.12238	39.6
328.12683	2.2
331.15329	20.7
341.13800	41.5
359.14828	100.0
360.15210	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	359.0759
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
54.07263	0.3
57.11694	0.3
59.22637	0.3
67.05489	0.7
69.44386	0.7
69.44799	2.7
79.05475	0.4
81.07042	1.1
83.04959	0.5
93.07025	0.9
95.08591	0.4
98.20713	0.6
105.07014	0.4
107.08578	0.6
108.53148	0.3
117.06985	0.5
127.93855	0.3
128.06108	0.4
131.04977	0.3
141.06987	0.5
143.08601	0.4
145.06468	0.5
145.10126	0.5
155.04926	0.4
157.06465	0.6
171.04431	0.6
183.04411	1.1
185.05986	1.1
198.03047	0.5
199.03917	0.8
201.05385	0.7
211.03882	0.8
212.04666	0.3
213.01819	0.3
213.05429	1.6
214.02606	0.6
217.04936	0.8
226.02550	0.7
227.03352	1.5
229.04990	1.3
230.02133	0.7
241.01305	2.1
241.05000	1.0
242.01831	0.4
245.04474	1.8
251.09375	0.4
253.08546	0.4
254.02289	0.5
255.02945	1.4
257.04480	2.3
259.02460	0.6
267.02875	0.8
269.00677	2.0
270.01541	2.6
271.02368	1.0
273.03918	3.3
283.02332	1.6
284.03232	1.6
285.03934	7.5
286.01068	6.7
286.04053	0.4
287.01886	1.0
295.76431	0.3
297.00189	0.8
298.01132	0.4
298.04788	0.5
299.02176	0.6
299.05463	2.8
300.02585	1.1
300.06192	1.5
301.03427	5.5
303.04871	0.7
311.01941	0.4
313.03387	10.1
313.10901	0.5
314.00568	0.7
315.04871	2.2
324.80273	0.4
326.04095	1.2
327.05054	0.5
328.02368	0.6
328.05756	15.1
329.02899	12.5
329.05963	0.5
330.03549	1.4
343.04404	4.1
344.05246	24.3
345.05573	0.7
359.07593	100.0
360.07895	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53171	0.6
53.03947	0.7
61.02913	0.9
62.06077	5.4
69.03416	2.7
70.06558	1.3
71.60032	0.8
71.60400	0.8
72.08136	1.1
77.83044	0.6
81.03404	1.3
84.08125	0.6
85.02884	4.4
87.04479	0.9
88.04019	0.6
94.06541	0.9
97.02901	1.4
98.97590	0.8
105.06993	0.8
106.82893	0.7
108.08137	0.9
109.02853	0.5
117.05756	1.4
120.08066	0.8
123.06793	10.9
124.07573	0.8
127.03922	1.2
132.08075	4.0
132.33414	0.6
134.06007	2.0
136.07576	5.0
138.05489	4.9
138.12395	0.6
141.50609	0.7
147.06746	1.1
148.07545	9.6
150.05467	2.9
150.09120	4.4
152.07021	2.0
153.01862	0.9
160.07579	15.3
164.07001	0.7
166.08684	3.6
166.09875	0.8
173.03026	1.0
174.98740	0.6
178.06285	1.3
178.08620	31.3
179.03404	0.7
196.03702	100.0
196.05844	5.0
196.09669	63.8
197.04053	1.4
197.10001	0.7
279.48727	0.6
340.14142	1.3
358.08932	94.9
358.14874	48.4
359.09167	2.7
359.13147	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1496
Annotation	Bakankoside
Peak:m/z	Relative Intensity
56.96576	0.7
57.03427	1.6
61.02899	1.2
69.03431	4.8
69.77460	2.8
69.77891	1.5
71.05002	0.8
71.16063	0.6
73.02910	1.6
76.07644	1.3
81.03407	1.7
85.02917	7.0
87.04454	1.7
87.84851	0.6
91.03955	0.7
91.05461	2.1
97.02895	3.6
98.97590	1.2
99.04448	1.1
105.07021	1.9
108.08113	2.8
109.02883	0.9
115.05470	1.4
116.98547	0.8
117.05769	4.1
119.01877	1.0
119.98105	0.6
123.06824	1.0
123.46980	0.6
127.03899	1.9
128.98582	0.8
130.06480	1.3
131.07289	0.6
132.08095	10.6
133.03400	0.8
133.05182	1.0
134.05992	3.5
136.07573	10.0
137.07967	0.7
138.05495	5.1
140.95328	0.6
145.04948	1.0
147.06784	3.4
148.07562	26.4
150.09123	11.6
152.07054	6.9
153.01888	1.2
160.07573	37.5
161.07942	0.7
162.05516	1.1
164.07039	1.0
166.08629	1.4
173.03036	0.7
176.07170	1.3
178.08626	71.5
179.09044	1.5
180.06480	0.8
180.10242	1.5
196.09683	59.9
197.10040	1.5
221.04996	0.8
237.02724	0.7
245.05148	1.0
251.07503	1.8
269.57883	0.7
289.41037	0.6
311.09351	1.2
315.12659	1.0
340.13626	2.3
358.14926	100.0
359.15317	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2633
Annotation	Ligantrol
Peak:m/z	Relative Intensity
52.59974	2.4
53.03929	3.1
53.59470	2.4
55.01875	5.9
55.05506	35.2
57.07056	8.5
58.04274	2.8
64.30225	2.7
67.05502	30.1
69.03406	10.1
69.07063	61.7
69.92299	5.4
69.92700	13.7
71.04964	3.7
79.05490	14.1
81.07052	100.0
83.04956	8.5
83.08611	6.9
85.06539	17.9
91.05468	10.9
91.51214	2.6
93.07035	35.2
95.04956	12.8
95.08599	61.7
96.08944	3.0
97.06547	13.8
97.10163	71.2
98.21386	5.5
99.08075	12.6
101.05969	3.7
105.07008	26.2
107.04973	3.6
107.08586	37.4
109.06512	11.2
109.10155	29.8
111.08083	16.9
111.11716	15.5
117.07021	3.8
119.08585	23.0
121.06542	4.0
121.10134	39.6
123.04418	7.9
123.11695	63.5
125.09612	8.0
125.74213	3.0
131.08560	7.5
133.10100	14.7
135.08086	3.8
135.11674	24.2
137.05913	6.1
137.09625	4.7
137.13248	11.1
139.11165	38.6
143.10664	8.0
145.10123	10.5
147.04361	6.6
147.11668	21.5
149.05922	3.7
149.09549	6.3
149.13260	5.2
151.07555	3.4
151.11217	5.5
151.14786	4.5
153.01822	7.1
153.12735	19.4
157.12234	34.7
158.14162	2.6
159.11679	10.5
161.13243	9.0
163.03976	3.0
163.07475	5.9
163.11142	4.8
163.14809	3.3
165.05440	3.9
165.09041	4.3
165.12752	11.8
167.10751	3.5
171.11647	3.7
171.13797	3.6
173.13293	3.8
177.05437	5.2
177.12729	4.4
177.16357	4.3
185.16388	2.8
187.13196	3.8
187.14810	3.4
189.11282	3.8
195.13779	5.5
203.12779	10.0
205.04906	3.8
205.08659	10.7
205.15971	2.7
209.15256	3.1
216.95782	2.8
223.07307	2.9
233.15332	3.5
247.17033	2.9
251.16306	5.5
263.23816	2.7
273.22067	2.9
275.23676	9.6
277.21475	3.3
291.23145	14.6
297.11212	3.7
303.23148	43.7
309.24332	6.3
321.24222	62.1
322.24615	5.1
339.25320	11.1
348.15317	2.8
357.13495	13.9
357.18738	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	357.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.5
55.01875	18.6
55.05503	20.8
56.96556	6.8
57.03439	4.9
57.07071	4.9
61.02914	4.2
65.03941	4.2
67.05501	20.8
69.03423	21.4
69.07063	67.9
71.04983	5.8
71.15092	2.6
71.59180	5.2
73.02907	4.0
79.05491	22.3
81.03398	10.8
81.07050	53.2
83.04977	7.7
83.08619	12.8
85.02899	22.3
85.06535	9.5
89.03923	3.5
91.05441	24.9
93.07038	32.9
95.04984	13.3
95.08596	100.0
97.02881	12.8
97.06512	6.6
97.10154	6.8
98.97572	3.7
99.04452	3.0
99.08069	34.7
100.50407	2.9
103.05470	6.1
105.07022	23.5
107.04960	14.0
107.08580	47.1
109.02858	6.9
109.06515	15.2
109.10139	24.7
111.04429	9.2
111.08076	16.4
111.11711	47.7
115.05447	9.7
117.03388	5.3
117.07040	5.6
119.03208	2.5
119.04926	10.4
119.08539	25.6
121.06492	12.2
121.10135	70.0
122.03643	11.7
123.04427	18.4
123.08054	8.2
123.11694	35.3
125.06001	6.6
125.09574	5.7
127.03916	5.4
128.06236	3.4
129.06992	5.6
131.04892	9.6
131.08577	10.8
133.06470	7.6
133.10106	16.8
135.04410	6.5
135.08049	6.7
135.11662	16.0
137.05965	70.6
137.13239	7.5
139.03917	5.0
139.07556	3.0
139.11212	7.5
143.04935	3.9
143.08548	9.0
145.05005	3.6
145.06453	4.0
145.10132	12.5
146.03702	3.5
147.04402	18.8
147.11682	12.2
149.05949	6.8
149.09621	8.2
149.13235	10.3
150.67032	2.7
151.03911	10.2
151.07501	7.3
151.11133	3.7
153.01779	22.0
153.05478	6.9
157.10130	7.8
159.08040	4.6
159.11690	10.8
161.05949	19.5
161.09573	4.2
161.13249	11.0
162.06732	5.8
163.03922	7.3
163.07533	15.4
163.11079	3.1
163.14825	9.1
165.05493	31.6
165.06847	6.5
165.09119	9.1
167.07060	12.5
169.10103	3.4
171.11716	8.4
173.13281	10.9
175.07558	9.6
175.14793	12.6
177.05475	17.0
177.12823	3.5
177.16368	64.4
179.08493	3.5
181.06483	3.1
181.08493	3.3
183.10213	4.0
183.11708	3.7
185.13310	5.1
187.07584	9.7
187.14876	6.1
189.07022	7.0
189.12654	4.1
189.16360	4.6
190.07875	9.1
191.08545	9.7
191.14285	3.4
193.06525	2.9
193.15797	5.2
195.17410	6.6
199.14815	4.2
201.16406	7.2
203.07007	11.2
203.14299	2.8
205.06673	5.0
205.08504	35.1
205.15912	3.8
207.08025	10.0
213.16499	3.8
215.07019	7.3
218.07280	11.1
219.08028	19.9
219.17453	7.2
220.08675	5.4
221.06001	4.4
222.06717	5.5
226.98488	3.5
229.06418	4.1
231.17323	3.4
234.06709	7.8
235.07504	12.6
236.08296	6.5
237.08951	4.1
243.12225	3.2
246.06827	11.5
247.07526	22.6
248.08295	4.0
249.09164	4.6
251.07007	3.1
251.10661	3.8
253.08588	7.8
257.06134	3.9
259.01212	3.3
259.07547	3.1
261.09070	18.8
261.18472	5.7
262.06265	4.5
263.07022	9.9
264.07733	13.0
265.08469	6.8
269.12201	3.6
274.06195	5.8
275.07089	9.9
277.08572	12.8
278.09189	4.5
279.10068	17.1
279.19467	3.1
280.07306	4.3
280.10583	3.3
281.08127	5.3
283.09650	5.6
285.10507	3.7
285.18494	6.8
289.08499	21.1
290.09128	9.4
292.07501	6.9
293.11661	3.7
294.08774	4.5
295.09665	7.0
297.11212	5.1
299.12476	3.0
303.19534	9.0
303.22876	4.2
306.08966	6.8
307.09616	59.9
308.10117	7.4
309.11221	10.1
311.12540	4.0
313.10632	3.3
321.11191	47.3
321.20767	18.3
321.24228	5.1
324.09845	3.4
325.10712	5.1
327.12247	22.8
329.13739	9.3
339.12250	31.1
339.15872	4.5
339.21716	11.4
340.12573	3.7
357.06161	3.3
357.13287	52.9
357.17804	5.4
357.18683	4.2
357.22906	37.2
358.13763	5.4
382.06622	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	357.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.9
55.01863	8.8
55.05507	19.3
56.96551	3.9
57.03431	5.0
57.07061	4.5
60.87649	2.9
61.02913	6.4
67.05498	26.8
69.03425	20.1
69.06680	3.9
69.07060	70.8
69.40479	3.0
71.04998	4.2
71.60515	5.4
73.02906	5.2
79.05486	23.7
81.03410	10.3
81.07052	61.4
83.04962	9.2
83.08620	15.3
85.02896	23.6
85.06532	13.8
87.04479	4.2
91.05457	26.7
93.07044	32.4
95.04971	18.5
95.08598	100.0
97.02872	9.1
97.06538	6.5
97.10146	9.4
98.97602	4.3
99.04465	3.1
99.08078	33.2
103.03936	3.6
103.05457	6.9
105.07037	27.7
107.04938	14.8
107.08589	49.4
107.21577	3.5
109.02872	4.7
109.06503	13.5
109.10148	32.5
111.04421	10.1
111.08072	13.8
111.11714	44.0
115.05460	5.5
116.98660	4.3
117.07020	7.8
119.04943	7.3
119.08567	30.5
121.06483	12.4
121.10126	58.4
122.03622	8.0
123.04430	17.3
123.08075	11.2
123.11687	38.1
125.05943	5.1
125.09641	7.4
125.38537	3.1
127.03845	5.4
128.06221	3.3
129.06979	4.7
131.04933	9.6
131.08536	11.0
133.06479	7.5
133.10114	21.8
135.04465	5.2
135.08080	5.8
135.11674	15.8
137.05965	61.7
137.09595	4.6
137.13232	9.3
138.06313	3.9
139.03888	6.1
139.11171	8.8
143.04872	3.7
143.08546	5.5
144.05713	5.4
145.06453	4.7
145.10127	11.8
147.04362	16.7
147.08054	6.2
147.11638	16.1
149.06004	6.6
149.09688	4.9
149.13321	16.2
151.03908	10.6
151.07571	7.0
153.01840	16.3
153.05447	5.2
157.10121	7.1
159.07938	4.0
159.11673	10.9
161.05983	12.9
161.13242	11.6
162.06737	7.1
163.03938	7.2
163.07512	16.3
163.11118	5.3
163.14815	9.6
165.05450	20.4
165.09148	7.5
167.07040	12.9
171.11699	4.0
173.09598	3.7
173.13240	6.8
175.07501	10.6
175.11185	4.2
175.14799	14.1
177.05489	11.3
177.12950	3.4
177.16374	60.5
179.07024	4.2
181.15761	3.7
183.10138	6.2
187.07466	6.4
187.14746	6.4
189.07027	3.8
189.16371	10.0
190.07758	3.3
191.08586	7.6
193.15814	4.2
195.17453	8.4
197.05894	3.6
197.13309	4.8
201.16411	10.2
203.07114	7.5
205.08595	31.5
205.11966	3.6
205.15904	6.0
207.08041	6.3
208.08774	3.5
215.07021	6.6
217.06639	3.9
218.07280	6.7
219.08037	15.3
219.17407	7.1
225.09109	3.9
234.06639	4.2
235.07513	7.6
237.09085	6.9
243.17534	3.8
246.06674	5.5
247.07611	12.4
248.08159	5.7
249.08925	3.3
250.09636	3.7
252.07803	5.0
253.08591	6.0
261.09067	7.7
264.07849	7.4
265.08511	6.9
269.12177	4.3
275.06793	7.2
277.08578	8.6
279.10117	6.8
285.10229	5.2
285.18481	5.0
289.08606	14.4
294.08801	5.2
295.09586	5.2
297.11075	3.7
298.18063	5.4
303.19531	11.7
303.23215	9.1
306.08972	4.5
307.09644	31.8
308.10220	4.4
309.11218	7.6
313.10687	4.1
321.11237	18.6
321.20587	21.1
321.24084	5.6
324.10364	4.2
325.10684	4.4
327.12338	18.4
329.13599	5.8
339.12234	20.2
339.15903	5.2
339.21771	9.8
357.06314	4.2
357.13242	54.9
357.17648	4.8
357.18616	3.9
357.22784	31.8
358.13464	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	357.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
64.37453	0.2
67.05484	0.5
67.96392	0.3
69.07052	0.3
70.40376	0.2
71.19232	0.5
75.09254	0.2
79.05472	0.4
81.07032	0.8
83.08623	0.2
91.05486	0.4
93.07032	0.6
95.04919	0.3
95.08586	0.6
97.06509	0.4
105.07012	0.3
107.08586	0.6
109.10114	0.4
111.04436	0.3
119.04926	0.3
121.10123	0.5
123.04413	0.6
133.10168	0.3
137.05948	0.6
139.03870	0.3
145.02736	0.2
147.04390	0.7
151.03899	0.3
153.01778	0.7
161.05899	0.2
163.07480	0.3
165.05457	0.4
177.05438	1.2
195.13632	0.5
203.07193	0.2
205.08571	1.1
264.07587	0.3
297.11255	0.6
303.23297	0.3
307.09671	0.3
321.24344	0.4
329.13715	1.2
357.18784	100.0
358.14325	0.5
358.19104	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.045
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67284	1.6
57.03425	1.9
57.25339	1.7
57.70091	1.5
58.12380	1.6
61.02945	1.8
69.03415	2.4
70.02982	2.0
70.04010	9.4
72.08156	2.9
73.02931	2.1
81.03408	2.3
85.02914	5.6
91.05795	5.3
95.01327	3.5
95.08641	1.7
96.01653	3.0
97.02889	2.1
109.02869	2.9
111.04393	2.6
119.04935	3.3
121.02783	2.2
123.04437	2.6
127.03869	3.2
131.04909	2.5
133.02840	3.7
135.04427	5.2
137.02342	4.8
139.03925	5.6
147.04388	12.1
149.02350	4.3
159.04410	3.6
163.03893	10.7
164.07004	1.9
165.01842	21.1
165.05489	3.0
167.03407	8.5
175.03870	11.5
177.01830	7.4
177.03886	3.4
177.05432	2.0
178.04247	2.6
179.03407	4.8
181.01299	4.9
183.02872	15.7
191.03377	40.8
193.01285	19.1
193.04976	3.0
195.02910	10.7
203.03394	71.4
204.03703	3.8
205.01366	6.8
205.04996	5.8
207.02892	5.7
209.04445	3.0
211.02348	8.3
219.02876	90.3
220.03273	4.3
221.00841	15.8
221.04353	8.2
223.02359	13.4
229.01289	2.1
231.02850	11.2
233.00797	17.7
237.03748	3.1
239.01987	5.4
247.02367	100.0
248.02699	6.3
249.03954	11.7
265.03366	13.8
275.01831	57.5
276.02206	2.0
283.86478	1.9
293.02890	85.8
294.03363	2.1
303.01398	6.0
311.03848	3.0
321.02335	34.4
339.03439	47.8
357.12360	1.8
358.09198	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	356.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
56.96557	1.1
57.03419	1.4
60.04519	0.4
60.09632	0.3
61.02911	1.4
65.03924	0.8
67.05503	0.6
69.03424	4.4
70.03873	1.9
70.06583	0.5
71.04966	0.7
73.02915	2.0
73.04753	0.6
76.03994	1.2
76.07621	0.9
79.05477	2.2
81.03397	1.7
83.04950	0.8
84.08095	0.5
85.02901	6.4
87.04455	1.4
91.03909	0.4
91.05390	4.1
92.05727	0.4
93.07031	0.6
95.04997	0.7
95.08597	0.7
97.02883	3.1
98.97597	1.8
99.04423	1.0
101.02323	0.5
103.05452	1.9
105.03358	0.5
105.07034	3.8
107.04943	0.8
109.02856	0.9
109.06495	0.5
115.05416	0.5
116.98612	1.7
117.05756	11.0
120.08094	2.5
121.06535	0.8
122.06009	1.1
123.06826	0.7
127.03908	1.4
128.98584	0.6
130.06528	1.9
131.04900	0.9
131.07271	1.7
132.08076	15.4
133.05220	5.4
134.06023	0.8
134.99599	1.2
136.07559	1.2
137.05983	1.1
137.08336	1.6
138.05487	0.4
145.04984	1.2
146.06053	0.5
146.99663	0.6
147.04395	0.5
147.06775	3.0
148.07562	34.7
149.07942	0.6
150.05479	6.4
150.09135	0.8
151.07570	0.4
152.03232	0.4
152.07027	0.5
153.01810	4.6
153.02943	0.6
154.02145	0.6
158.99649	0.6
159.06560	0.6
160.07556	6.7
161.01259	0.6
161.07993	0.4
163.03932	0.4
164.07077	1.9
166.08635	9.9
167.06987	0.9
167.08943	0.4
176.07065	41.5
177.00629	0.8
177.05829	0.8
177.07458	1.3
178.08656	0.9
185.06755	0.4
194.08119	37.5
195.08514	0.6
211.29906	0.4
219.02963	0.9
221.02467	0.5
223.05350	0.5
237.02827	1.4
247.02425	1.0
266.09305	0.4
275.01974	0.4
293.02853	0.7
338.12140	1.1
339.03650	0.5
347.12051	0.4
356.13373	100.0
357.07343	0.6
357.13654	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2839
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03955	2.1
53.73714	2.0
55.05508	33.4
57.03429	9.4
57.07072	11.3
58.85175	2.0
67.05500	79.2
68.05814	2.3
69.06715	2.9
69.07064	39.2
69.38058	9.0
69.38489	9.4
70.06574	4.4
71.04964	3.4
71.08620	7.8
79.05487	24.1
81.07050	100.0
82.07377	3.0
83.05001	2.8
83.08611	26.6
85.06522	3.9
85.10175	4.1
88.07617	6.5
91.05432	18.2
93.06476	2.6
93.07037	33.9
95.04980	3.4
95.08600	86.4
97.06514	8.5
97.10166	23.0
99.08062	4.3
99.27702	1.8
105.07025	14.6
107.08584	21.7
108.49942	1.9
109.06545	2.7
109.10147	45.6
111.08067	4.9
111.11708	7.0
118.54944	2.1
119.08575	16.2
121.10131	29.1
123.08062	2.5
123.11690	23.0
125.09605	3.0
127.11173	2.2
129.05460	2.8
133.10139	16.9
135.11674	14.5
137.13257	13.2
139.11195	2.9
140.02104	2.1
141.12697	3.5
147.11679	12.7
149.13229	12.9
151.14796	7.6
161.13242	14.3
163.14827	13.5
165.16400	9.3
175.14774	9.8
177.16368	2.8
179.17883	5.3
189.16400	6.7
203.17921	2.3
207.17471	2.4
211.06465	2.4
217.07436	2.2
226.28911	2.1
229.07426	6.4
230.07722	4.4
245.22652	57.4
246.22952	2.5
247.08540	8.6
248.08922	2.4
263.23682	60.7
269.60547	2.0
337.27362	42.6
338.27832	2.2
338.34332	2.5
355.28363	10.9
355.33829	3.2
356.35196	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	355.284
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.01865	1.8
55.05505	31.2
57.03431	8.9
57.07073	13.1
65.03918	2.6
67.05499	81.8
69.07066	39.1
71.04981	4.5
71.08622	6.6
79.05490	29.3
81.07050	100.0
82.07378	2.3
83.04969	3.9
83.08611	32.2
84.08926	1.5
85.06537	2.8
85.10184	3.2
91.05441	22.2
93.07040	35.9
95.04962	6.4
95.08601	94.8
96.08918	2.1
97.06509	10.8
97.10149	17.5
99.08094	3.2
103.03952	3.0
105.07015	19.2
107.08590	29.2
109.06507	6.0
109.10154	53.8
111.08101	4.6
111.11720	5.2
113.09631	3.5
113.54691	1.8
117.07031	1.5
119.08574	21.1
121.10130	28.9
123.08060	2.9
123.11690	26.7
125.09671	2.1
125.13264	2.0
128.00443	1.6
129.05502	3.8
131.08562	3.8
133.10121	21.0
135.11690	15.8
137.09607	2.6
137.13272	10.3
141.12717	2.6
143.08533	2.2
145.10135	5.2
145.80405	1.7
147.11673	11.3
149.13251	15.3
151.07555	2.4
151.11153	1.9
151.14798	6.2
153.12735	2.2
157.10127	2.6
159.11720	4.6
161.13249	18.3
163.14799	13.5
164.07956	1.7
165.12746	1.7
165.16368	8.4
171.11642	4.3
175.14836	11.8
177.16357	2.8
179.14304	3.1
179.17921	5.6
189.12746	1.5
189.16386	7.0
190.77559	1.5
199.14795	2.5
202.55458	1.7
203.17943	2.8
207.17480	1.8
210.04868	1.5
245.22618	48.4
246.22987	2.5
263.23679	62.1
264.24158	2.6
265.25101	1.9
290.09308	1.8
297.22461	1.9
337.27393	40.4
338.28119	2.0
355.28665	8.4
355.33963	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	355.1724
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
51.62854	0.3
55.05506	0.4
63.41993	0.3
70.19233	0.3
71.04982	0.6
71.11700	0.8
81.07030	0.4
85.02856	0.6
87.07591	0.3
89.06026	0.5
89.89565	0.3
91.05769	1.2
96.28819	0.3
100.11255	0.3
101.63686	0.3
104.99215	0.3
107.04967	0.4
109.10239	0.4
111.04468	0.4
112.08915	0.3
122.40647	0.3
131.08542	0.3
133.08543	0.7
141.06989	0.4
145.10156	0.3
147.07997	0.4
153.01820	0.6
161.05952	0.6
167.07071	1.2
175.07556	2.2
182.15414	0.8
183.39394	0.3
193.05106	0.4
193.08589	0.7
201.03697	0.4
201.09209	0.4
210.14865	1.4
216.29865	0.4
236.60558	0.3
285.00983	0.4
337.20929	0.6
355.17249	100.0
356.17551	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	355.2841
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.05517	28.7
57.03428	6.9
57.07066	10.3
65.03931	4.2
67.05172	4.9
67.05505	67.6
69.06727	3.4
69.07065	38.9
69.47259	22.1
71.08633	6.7
71.64230	2.8
78.92006	2.6
79.05490	28.1
80.04412	2.8
81.07057	100.0
82.89690	2.9
83.08619	28.3
85.06508	4.4
85.10146	2.9
86.61033	2.9
91.05463	19.4
93.07044	34.1
95.04974	5.0
95.08611	85.9
97.06535	10.7
97.10142	15.0
105.07041	15.2
107.08586	19.2
109.06503	4.4
109.10168	46.4
111.08055	4.2
111.11704	5.3
113.09642	2.6
114.94865	2.7
119.08578	18.2
121.10159	24.6
123.08031	3.0
123.11687	19.8
133.10124	16.8
135.11702	14.5
137.13249	6.7
139.11139	2.6
141.12837	3.0
145.10117	3.0
147.11674	10.3
149.13260	17.1
151.11192	4.8
151.14793	4.6
161.13268	15.1
162.49734	2.9
163.14819	14.1
165.16405	7.5
175.14804	11.8
177.16354	4.1
179.17955	3.8
189.16367	4.8
245.22638	40.7
260.01636	3.0
263.23734	43.5
337.27249	30.6
339.82971	2.9
355.28732	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	355.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
53.08852	0.4
55.01876	1.2
55.05526	0.6
55.88456	0.3
56.05029	0.5
56.96568	3.4
57.03439	2.8
59.06107	0.4
59.85485	0.4
60.04517	1.2
61.02920	3.5
65.03935	0.5
67.05504	0.7
68.66290	0.3
69.03429	10.4
70.03720	0.4
70.06590	0.9
70.36183	0.4
71.04979	1.3
71.59576	0.6
72.08127	0.5
73.02905	2.9
73.04758	1.4
74.06040	0.4
75.04479	0.4
76.07632	0.6
78.17081	0.3
79.01873	0.4
79.05493	1.5
81.03420	3.5
81.03868	0.5
81.07052	0.4
82.03735	0.5
83.01340	0.6
83.04992	0.7
84.04507	1.0
84.08136	0.5
84.96039	0.7
85.02902	18.2
85.06577	0.4
86.03239	0.7
86.09698	0.5
87.04467	2.9
89.03949	0.4
91.03951	1.1
91.05820	6.8
95.04964	0.6
97.02885	9.5
98.03228	0.5
98.06025	0.7
98.97578	3.1
99.04450	1.9
101.02368	0.5
103.05460	1.0
103.31111	0.3
106.06549	6.6
106.07230	0.6
107.07344	2.3
108.08118	5.2
109.02856	2.3
110.06089	0.4
111.04452	0.8
111.64617	0.4
112.02145	0.5
112.99139	0.5
114.07365	0.5
116.98624	3.3
117.05648	0.4
118.06540	0.4
119.01881	2.6
120.08125	1.7
122.06003	0.6
123.04432	0.6
123.06757	0.5
124.07594	1.0
125.02366	0.6
126.05520	0.7
127.03915	5.8
127.04819	0.6
128.04245	0.5
128.98576	1.4
129.05505	0.5
130.06525	3.2
131.00189	1.4
131.01912	1.3
132.06796	0.7
133.03514	0.7
133.05220	1.6
134.06018	3.9
134.99651	1.9
135.04425	0.5
135.06761	1.8
136.06215	0.8
136.07567	4.5
137.04990	0.4
137.05989	1.1
137.08365	2.3
138.05505	3.2
139.03285	0.4
142.05240	2.8
143.00122	0.7
143.01865	0.7
143.03471	0.8
145.01736	0.4
145.03448	1.4
145.04958	2.7
146.05106	0.4
146.99673	1.3
147.03322	0.4
147.04439	1.5
147.06696	0.6
147.09167	6.2
148.03888	1.5
148.07568	34.0
149.01231	2.0
149.02969	0.5
149.07948	0.8
150.05557	0.7
150.07727	0.5
152.07048	7.3
153.01819	8.8
153.07831	7.2
154.02161	0.7
154.08562	1.7
155.01904	1.6
157.03462	0.9
157.04625	0.7
157.07574	1.5
158.99663	0.8
161.01222	1.2
161.02925	1.5
161.04268	0.4
163.02708	0.6
163.03992	1.2
163.08664	0.6
164.07068	5.2
165.00653	0.7
166.08620	0.5
166.98511	0.6
167.07033	0.4
168.06604	0.4
170.99689	0.5
172.52441	0.4
173.01431	0.6
173.02956	2.5
173.04327	0.4
175.02806	0.7
175.08662	49.7
176.05704	0.6
176.07097	3.0
176.09213	1.5
177.00702	1.1
177.04169	0.8
177.10272	1.3
178.04918	1.8
183.25003	0.4
184.04936	0.6
185.02902	1.3
185.04311	2.4
186.04491	0.4
189.00652	0.9
189.04161	0.4
191.02257	0.8
193.09718	100.0
194.06689	0.8
194.08308	0.8
194.10059	2.7
197.02863	0.6
201.00697	0.6
203.03998	0.9
211.00960	2.8
211.04816	0.4
216.11334	1.1
217.00319	0.5
219.01698	2.1
220.05876	0.5
220.08177	1.1
221.05061	1.9
223.04332	0.4
227.03949	0.5
229.01875	1.3
235.04585	0.5
235.10823	0.9
237.02707	4.2
244.99805	0.5
245.05098	1.5
247.02950	2.1
249.02744	0.6
249.06273	0.5
253.02052	1.4
253.04675	0.5
258.08719	0.9
260.04437	0.6
263.00757	1.3
263.03992	0.4
264.57153	0.5
265.07565	0.5
268.97925	1.8
271.02884	1.1
273.57880	0.5
274.07892	1.2
277.03424	0.4
279.03723	0.5
285.01068	2.1
295.03116	0.8
303.01581	1.5
307.03015	0.8
311.06097	0.9
312.10669	0.5
313.03876	0.4
314.12296	1.6
321.10556	0.4
325.04102	0.6
337.04083	0.7
337.07672	0.9
337.13873	1.5
355.05728	8.3
355.10367	2.8
355.14920	29.0
355.60559	0.4
356.06122	0.8
356.13721	1.2
373.05862	2.8
374.06058	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
56.96545	0.8
62.50283	0.3
69.03423	0.4
69.98867	2.1
72.20634	0.4
73.04739	1.4
77.13193	0.3
81.04520	0.9
85.02890	1.1
89.03889	0.4
91.05809	5.4
92.72514	0.4
95.04929	0.4
97.02938	0.6
98.97586	0.5
100.15684	0.3
107.04943	0.5
117.03421	0.3
119.04972	0.7
121.02872	0.8
122.07140	0.6
127.03942	0.5
135.04427	1.4
139.03886	1.6
140.08191	0.9
147.04437	2.4
153.01807	0.8
155.03328	0.8
163.03894	6.3
164.07039	0.4
165.01862	0.5
166.06071	2.1
177.01656	1.2
179.03366	0.4
185.04201	2.5
191.03262	0.7
192.03926	15.1
193.04811	8.1
193.07227	18.1
194.05571	1.0
195.02875	0.5
207.02971	2.0
235.02437	0.8
237.02838	0.7
253.03426	1.7
255.00168	0.4
268.97916	1.2
285.01004	1.6
303.01965	0.5
323.07153	0.5
324.08151	2.7
325.08926	0.9
337.01840	0.4
355.10025	100.0
356.06479	0.5
356.10452	2.5
373.08127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.102
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44117	0.2
69.03428	0.4
69.89868	1.5
73.04782	0.2
74.77161	0.3
77.03930	0.3
85.02890	0.5
89.03904	0.9
91.05782	0.8
93.17030	0.2
97.02879	0.4
98.20699	0.2
105.03374	0.9
107.04922	0.3
111.04361	0.2
117.03352	0.8
118.63524	0.2
121.02859	5.4
122.03625	0.6
123.04327	0.3
133.02844	15.0
135.04408	1.5
137.05971	3.2
145.02792	0.9
149.05965	0.8
150.03084	0.4
163.03889	10.7
165.05457	2.2
178.02588	9.0
181.04910	1.1
193.04947	100.0
194.05284	1.8
234.78180	0.2
235.06032	0.4
285.00598	0.4
289.07047	0.3
333.64182	0.2
337.09241	0.4
355.10239	4.5
364.02667	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1019
Annotation	Scopolin
Peak:m/z	Relative Intensity
55.08155	0.2
59.04989	0.3
69.03450	0.3
69.07042	0.3
69.84454	1.6
73.04716	0.4
76.31612	0.3
79.93302	0.3
84.08899	0.3
85.02900	0.4
85.98902	0.3
89.03891	0.3
91.05804	0.7
98.21503	0.3
117.03259	0.3
122.03584	0.7
123.04394	0.4
128.29887	0.4
133.02843	15.4
134.03207	0.3
135.04367	0.4
137.05963	3.4
149.05949	1.3
150.03079	0.5
163.03935	0.3
165.05487	1.8
178.02576	8.1
193.04945	100.0
194.05310	1.6
205.04915	0.9
235.06148	0.4
253.84363	0.3
268.97519	0.3
289.07260	0.4
305.58594	0.3
355.06946	0.5
355.13675	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1181
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
51.02387	0.3
52.67592	0.3
53.29693	0.3
57.03418	0.9
60.04513	0.6
61.02906	0.4
67.05478	0.9
69.03423	2.2
69.89934	1.6
70.06554	0.3
73.00996	0.2
73.02899	0.6
77.03954	0.4
77.37418	0.2
81.03404	1.0
83.01373	0.3
85.02895	3.3
87.04446	0.4
91.05427	2.5
93.07009	0.4
94.06561	4.9
95.04950	0.7
97.02865	1.1
98.21519	0.3
99.04498	0.3
105.03377	0.8
109.02866	0.6
109.06512	0.3
115.07534	0.6
117.05759	0.4
117.09145	0.3
118.06531	6.5
119.04908	0.5
121.02843	1.0
122.06025	5.0
127.03903	1.0
128.78082	0.2
129.09160	0.4
131.03615	0.4
133.02867	1.2
134.05980	0.8
136.07582	0.4
145.04988	0.5
146.06001	16.2
147.06667	0.5
148.07510	0.5
150.05510	1.2
157.08594	0.6
162.05502	1.2
163.03883	0.9
164.07054	7.0
165.05452	0.4
172.20052	0.3
174.05495	100.0
175.05936	1.8
176.07060	1.0
178.02606	0.5
192.06541	55.3
193.04976	6.3
193.06850	0.8
234.07634	0.3
336.10712	0.9
354.11804	58.0
355.12479	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.8
55.01849	4.2
56.34002	1.7
56.96559	10.2
57.03409	3.8
61.02885	5.2
61.11097	1.8
68.15248	1.6
69.03423	19.4
70.06557	2.4
71.04949	3.1
71.59662	2.9
73.02867	4.8
73.04746	8.6
76.94094	1.6
79.01810	2.6
81.03413	9.3
81.66138	1.5
83.01287	2.2
85.02900	36.8
86.03212	2.1
87.04450	2.3
91.03914	4.4
91.05812	35.8
95.04935	1.9
97.02886	21.4
98.03161	1.6
98.97582	7.9
99.04396	4.4
101.00868	7.8
106.06497	7.3
106.07144	2.1
107.04926	2.4
107.07262	2.6
108.08067	4.4
109.02818	6.3
110.97457	2.5
111.04415	1.8
114.07317	1.9
116.98615	7.9
119.01919	35.4
119.04920	3.9
120.01991	1.6
120.08033	2.0
120.98026	1.7
125.02383	1.7
127.03904	13.0
128.07918	1.8
128.98584	2.8
130.08673	2.0
131.01923	10.6
133.05168	2.3
134.05978	4.1
134.99588	3.9
135.04349	4.5
135.06764	1.7
135.67580	1.6
136.07611	8.2
137.02931	8.9
137.05919	2.9
137.08189	1.9
138.05414	2.9
139.03793	5.0
143.00098	2.0
143.01801	7.6
143.03360	3.1
145.03508	9.5
145.04861	4.5
145.07513	3.3
146.03574	1.6
146.99574	2.6
147.04399	18.9
147.09113	3.5
148.07559	27.7
152.06990	4.9
153.01823	31.6
153.07756	7.0
154.02109	4.0
154.08585	2.2
155.01840	8.9
157.03386	7.2
161.01381	2.3
161.02946	25.8
162.03145	1.7
163.03816	15.2
164.05920	1.6
164.07062	18.6
167.01884	2.7
167.06950	2.2
169.03355	1.9
173.02957	11.8
175.04517	3.6
175.08661	36.0
176.06934	6.6
177.00565	2.2
177.04033	2.8
185.02850	7.9
185.04256	52.4
187.04321	3.4
193.00922	6.9
193.04755	2.3
193.09724	72.5
197.02907	8.5
201.00578	2.2
203.03978	8.5
203.20845	1.8
211.00842	15.2
212.00873	1.7
215.03969	2.3
219.01694	4.9
221.04890	6.8
223.04520	4.4
227.03928	3.7
229.01906	9.9
235.00728	2.5
235.04370	5.3
237.02805	7.6
244.99663	2.2
245.02757	2.0
245.05003	14.8
246.05305	2.0
247.02895	10.4
248.03448	1.9
253.01735	2.9
253.05508	3.8
263.00510	4.7
263.03479	2.7
263.06152	3.4
265.01794	2.5
268.97681	8.6
270.72995	1.8
271.02780	5.2
285.00912	8.2
285.03598	1.9
286.07791	1.8
295.02612	2.5
297.04346	2.4
303.01797	5.8
307.02841	6.8
311.05872	6.7
313.03778	2.1
313.07291	2.2
313.20160	2.0
325.03720	2.6
337.04095	2.9
337.09897	5.3
337.13605	2.0
355.05685	100.0
355.14691	25.2
356.06143	5.2
373.05972	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	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03930	2.2
55.05506	13.2
57.03431	7.8
57.07058	3.6
65.03924	2.8
67.05501	85.0
69.07063	12.9
69.36275	21.3
71.04993	2.6
75.63873	2.2
78.49794	2.2
79.05491	33.2
79.25146	1.8
81.07054	86.6
83.08614	8.3
85.06534	4.3
87.65606	2.0
91.05482	16.0
93.07040	49.6
95.04955	3.2
95.08603	71.5
96.08893	2.3
97.06557	2.8
97.10155	3.7
99.08063	3.0
99.55097	2.5
105.07031	20.1
107.08584	29.8
109.10149	37.3
117.07028	8.0
119.08569	14.6
121.10131	32.5
123.11697	22.9
131.08510	15.7
133.10149	12.2
135.11688	26.1
137.13260	8.9
145.10117	13.1
147.11717	10.2
149.13280	19.4
150.95358	2.1
151.11110	2.2
159.11650	17.1
161.13258	11.2
163.14784	10.9
165.12747	1.9
173.13255	17.0
175.14777	3.5
177.16348	5.3
185.00279	2.1
186.31297	1.8
187.14870	7.9
201.16408	3.3
233.22684	4.1
243.21049	23.7
261.22128	100.0
262.22482	5.5
279.23093	10.2
335.25787	16.4
353.26837	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	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
54.19885	1.4
55.05512	14.5
57.02245	1.5
57.03433	5.1
57.07055	4.8
59.84570	1.4
61.53534	1.3
65.03938	2.0
65.44715	1.2
67.05502	89.6
69.07061	14.4
70.06219	8.1
71.04981	2.5
71.08607	2.4
79.05489	45.1
80.80763	1.5
81.07053	96.5
82.07357	2.2
83.08598	7.2
85.06538	3.3
91.05470	19.2
93.07043	59.5
93.12577	2.1
94.07369	1.6
95.04962	2.8
95.08604	67.2
97.06529	3.1
97.10158	4.0
99.08098	3.6
104.70924	1.3
105.06374	1.9
105.07031	20.5
107.08594	40.2
108.08928	2.3
109.06446	2.0
109.10156	36.0
110.10500	1.4
111.08038	1.5
113.09679	2.2
117.07022	9.7
117.82336	1.3
119.08580	13.7
121.10130	32.0
123.08086	1.7
123.11715	18.3
125.09531	1.5
131.08559	24.4
133.10118	14.0
135.11691	25.1
137.09630	1.7
137.13229	8.1
145.10117	14.9
146.10602	1.5
147.11671	11.6
149.13251	17.9
159.11711	11.1
161.13220	9.6
163.11176	1.6
163.14772	13.5
165.12726	2.0
173.13263	13.8
175.14774	2.7
177.12799	1.7
177.16371	4.4
187.14810	9.0
191.14281	2.4
201.16333	3.6
222.54282	1.7
229.14662	1.3
233.22656	4.0
243.21085	27.8
244.21342	1.9
261.22141	100.0
262.22443	6.0
279.23196	5.3
335.25726	9.9
353.26816	31.2
354.27271	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.01865	6.2
55.05510	36.0
56.96560	4.5
57.03421	17.1
57.07067	9.5
57.08954	4.5
60.79911	4.1
64.01762	4.2
67.05167	7.9
67.05500	85.3
69.07060	36.0
71.08630	29.7
71.60648	7.4
72.08125	6.3
79.05495	42.1
81.07057	100.0
83.08606	20.3
85.06528	5.2
89.44144	4.1
91.05471	19.7
93.07033	43.5
95.08598	63.4
97.10166	19.1
99.08084	19.9
105.07008	20.4
105.60606	4.0
107.08592	40.6
109.10145	40.4
111.08104	4.0
117.07017	9.4
117.45448	3.8
119.08554	15.0
121.10139	33.3
123.11694	13.4
125.09621	8.9
131.08534	17.9
133.10066	8.0
135.11723	27.1
137.13254	10.8
145.10100	11.0
147.11662	17.6
149.13234	8.6
153.12750	4.9
159.11673	10.5
161.13268	8.0
163.14786	10.9
165.12807	7.5
171.11678	5.2
173.11842	5.6
173.13254	13.3
183.07381	4.0
185.13361	5.2
187.14883	5.7
189.11189	7.4
223.87161	4.7
243.21040	17.5
261.22137	48.7
279.23141	17.2
286.56891	4.1
346.77692	4.3
353.26938	65.7
353.31284	5.7
353.32623	4.7
354.27216	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	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05501	12.4
57.03411	6.5
57.07068	3.8
58.59225	2.1
67.05501	85.7
69.07064	13.2
70.87054	4.3
71.08678	1.9
75.04481	2.0
78.12222	2.6
79.05489	36.5
81.07051	98.7
83.08605	8.5
85.06523	3.6
91.05479	17.2
93.07034	49.8
94.07363	2.4
95.04942	3.9
95.08599	73.0
97.10172	3.4
99.08064	2.6
105.07020	12.2
107.08595	33.8
109.10147	39.5
110.50730	1.7
115.33601	2.0
117.07016	8.5
119.08578	13.5
121.10146	27.1
123.11714	26.6
123.90990	2.1
131.08536	17.1
133.10126	15.4
135.11684	29.6
137.13246	8.8
139.11116	2.9
145.10097	15.8
147.11685	12.5
149.13245	20.6
151.11134	2.0
151.14853	2.8
153.12769	2.2
159.11670	14.6
159.54628	2.1
161.13261	11.7
163.14804	18.6
173.13251	17.8
177.16411	4.8
187.14766	7.8
201.16443	1.9
208.08861	2.2
213.28809	2.5
219.05396	2.2
233.22607	4.8
243.21051	31.1
244.21414	2.8
261.22116	100.0
262.22418	6.6
266.06708	2.2
279.23141	7.4
335.25821	19.3
353.26929	37.6
354.27219	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	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.72815	2.0
55.05500	12.3
57.03425	5.1
57.07061	3.9
67.05500	68.4
68.64516	1.9
69.07054	9.2
69.38302	22.4
69.38626	3.4
79.05486	30.8
81.07048	76.4
83.04984	2.2
83.08598	5.1
85.06561	2.4
91.05475	17.5
93.07040	41.4
95.08604	54.4
97.10175	3.6
105.07049	11.5
107.08591	28.7
107.70802	2.4
109.10149	30.9
109.90313	2.2
113.65993	2.1
117.07015	3.2
119.08569	8.9
121.10141	26.5
123.11701	19.7
131.08556	15.4
133.10114	7.5
135.11703	20.9
137.13210	9.0
140.78941	2.3
145.10126	12.2
147.11679	9.3
149.13275	18.4
151.14842	3.7
157.22202	2.5
159.11678	9.4
161.13222	7.1
163.14833	9.3
165.81383	2.0
167.85558	2.1
173.13240	14.3
175.14870	3.4
177.16412	2.5
187.14809	8.2
239.67917	2.0
243.20999	21.6
261.22134	100.0
262.22409	7.1
279.23175	5.7
335.25827	19.3
351.37091	2.3
353.26758	32.1
354.26987	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	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01850	1.0
55.05258	1.1
55.05506	13.5
57.03423	4.3
57.07074	4.6
58.73661	0.8
65.03925	1.9
67.05497	80.7
67.36192	0.8
69.07060	11.0
70.79523	1.9
70.79863	1.7
71.04970	2.9
71.08628	1.3
75.04471	1.2
77.03934	1.1
79.05485	39.5
81.07047	85.5
82.07363	1.6
83.04944	1.5
83.08620	5.3
85.06533	1.3
91.05472	20.6
93.07034	54.8
95.04944	3.5
95.08596	65.6
96.08932	1.7
97.06509	3.0
97.10152	3.2
99.08076	2.3
105.07019	18.4
107.08580	40.2
109.06480	1.7
109.10142	38.8
111.08105	2.4
113.09614	1.3
117.07010	8.6
119.08575	11.7
121.10131	33.7
123.08095	1.5
123.11687	20.9
124.95481	0.9
131.08556	18.7
133.10103	13.3
135.11674	28.8
135.12697	1.6
136.11958	1.7
137.09583	1.3
137.13229	7.6
139.11182	1.9
145.10110	13.6
147.11673	11.3
149.13229	18.2
151.11160	1.3
151.14825	2.5
159.11678	14.0
161.13220	10.0
163.14810	13.1
165.12701	1.5
173.13246	16.7
173.27924	1.1
175.14763	3.0
177.12776	1.1
177.16415	6.4
179.14281	1.7
187.14827	10.8
191.14244	1.2
201.16348	3.8
205.15715	1.1
215.17929	1.0
219.17430	1.4
233.22662	5.2
243.21068	25.6
244.21445	1.2
252.51347	1.0
261.22107	100.0
262.22427	6.8
263.23706	1.3
279.23227	4.3
281.10501	1.4
317.24649	1.0
335.25732	9.7
336.26352	1.0
353.26852	33.6
354.27072	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	8.8
57.03429	2.4
57.07074	4.0
65.03922	2.0
67.05501	64.1
69.07059	7.9
69.60178	11.5
71.04985	1.5
71.08601	1.4
79.05489	32.3
81.07053	71.3
83.08618	6.2
85.06522	2.1
91.05469	14.1
92.79584	1.7
93.07042	46.3
94.07357	1.4
95.04945	3.2
95.08602	57.1
97.06503	2.8
97.10169	2.1
98.20743	3.0
99.08104	2.2
103.99232	1.6
105.07034	13.7
107.08590	32.9
109.10146	28.2
117.06998	7.4
119.08582	9.7
121.10143	30.2
123.11699	17.4
131.08562	19.0
133.10080	10.2
135.11678	25.1
137.09604	2.5
137.13252	6.0
145.10117	14.6
147.11707	9.1
149.13251	16.7
151.14870	1.7
152.81326	1.4
159.11690	12.5
161.13260	7.0
163.14839	11.4
173.13257	12.9
175.14836	3.2
177.16396	3.6
187.14795	9.4
189.16321	1.8
201.16454	3.3
233.22644	5.0
243.21068	25.7
261.22131	100.0
262.22424	9.0
279.23212	4.0
335.25775	10.3
347.81580	1.4
353.26849	36.5
354.27185	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	353.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	1.4
60.04512	1.7
66.73725	1.1
67.05499	5.7
67.54881	1.2
69.03439	2.7
69.07056	6.7
70.06594	1.4
71.04973	3.4
79.05486	1.7
81.04527	4.3
81.07042	9.6
85.02899	3.3
85.06537	10.1
86.09700	100.0
91.05476	3.6
93.07031	1.6
95.04979	2.5
95.08610	10.2
96.08955	1.2
97.02849	2.2
98.21500	3.3
99.08082	3.1
105.07013	3.0
106.06522	1.4
107.04935	2.5
109.02861	1.8
109.10149	2.4
111.04446	2.0
117.06980	1.2
119.04927	2.7
119.08585	1.8
121.02824	1.2
122.07150	14.4
123.04433	2.5
123.07933	16.4
127.03935	2.0
128.10706	95.7
131.04883	2.7
132.05286	1.6
132.10184	24.3
133.02870	2.5
133.06462	1.4
134.03621	1.6
134.05911	1.4
137.06044	1.4
137.09566	1.3
137.13261	2.1
138.09940	1.7
139.03951	1.1
142.30827	1.0
145.06468	1.5
147.04404	11.1
148.04773	1.6
151.03867	1.8
155.10692	1.2
155.14285	13.6
156.10150	19.4
161.02357	1.8
162.05501	3.5
173.15353	8.8
174.11240	76.8
175.11584	1.6
179.03381	6.8
186.05843	2.3
187.08751	1.4
190.08594	1.2
191.06927	7.2
191.08493	1.0
191.16397	3.7
230.92319	1.2
233.09239	3.0
293.16037	5.5
307.12836	3.2
353.12939	32.4
354.13217	2.9
361.91678	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	8.3
57.07078	31.9
58.87144	2.3
59.04993	3.2
62.18670	2.4
64.61127	2.0
67.05499	15.1
69.03429	4.4
69.07064	15.5
70.06606	2.8
70.58616	3.8
70.59020	5.6
71.05006	4.8
73.06557	14.0
79.05520	3.6
81.07056	60.9
83.04944	2.3
83.08613	4.3
85.02909	7.5
85.06544	93.2
93.07036	5.0
95.04982	4.3
95.08606	50.6
97.02885	4.3
97.10178	8.9
99.08086	47.9
105.07051	3.2
109.10180	6.6
111.11727	5.4
113.06030	4.8
119.08586	3.1
121.10123	5.3
135.11656	3.1
137.07434	2.6
137.13255	46.2
155.07118	2.5
155.14304	100.0
156.07292	3.7
163.14818	2.6
167.36154	2.6
173.11778	2.7
173.15370	28.4
173.16672	3.4
174.12054	3.9
177.05463	3.0
185.11583	2.3
187.24521	2.6
191.14616	5.3
191.16405	54.9
331.68762	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	5.1
57.03434	3.2
57.07076	34.8
63.06760	1.5
67.05500	12.5
69.03422	5.0
69.07074	12.8
70.06576	3.8
70.71558	4.1
73.06542	6.5
79.05484	3.1
81.07053	27.3
82.07374	1.4
83.08621	2.6
85.02889	6.6
85.06541	100.0
86.06861	2.2
91.05474	3.8
93.07043	3.7
95.04961	2.6
95.08599	24.3
97.02905	1.8
97.10170	2.9
97.33946	1.5
98.97591	3.0
99.08087	23.0
105.07037	3.2
107.08568	4.6
109.06503	2.1
109.10133	1.8
111.11716	2.2
113.09649	2.1
116.07050	2.3
116.98553	2.0
119.08566	2.4
121.10115	1.8
123.08073	3.4
133.10094	1.8
135.11740	2.2
137.09627	1.9
137.13254	24.6
147.04422	2.2
147.11761	2.2
155.14301	60.4
156.07312	1.7
156.64769	1.6
173.05936	1.7
173.13229	3.5
173.15392	16.3
175.14841	2.9
191.06946	2.9
191.14330	6.7
191.16414	46.9
219.01793	2.4
225.12721	1.8
237.02818	4.3
263.12418	2.7
272.12686	3.1
293.15274	3.5
303.04898	2.3
315.67859	1.8
319.10806	2.0
337.11728	5.0
353.15652	2.0
353.19745	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.8
56.96552	1.1
58.12605	0.8
59.04977	1.3
67.05511	1.3
67.33005	0.8
68.18790	0.9
69.03410	2.7
69.07054	5.3
71.08629	42.5
71.58907	1.3
71.59251	1.4
77.13717	0.8
79.05489	1.2
79.93041	0.9
81.07038	3.5
85.02886	5.9
89.05952	1.1
91.05470	2.5
93.07025	2.8
95.04965	1.4
95.08603	2.5
97.02886	2.0
98.97551	1.0
99.04420	1.4
99.08086	100.0
100.08394	2.0
105.07022	2.5
106.07326	1.2
107.04961	1.1
107.08618	1.5
109.06483	1.0
109.10140	1.4
113.53931	0.8
119.04907	1.5
121.06457	1.0
121.10161	2.0
122.22411	0.9
123.04388	2.9
129.12735	10.4
131.08577	1.5
133.10124	1.8
145.04929	1.0
147.04431	1.3
147.07945	1.1
148.51892	0.9
153.01802	2.5
155.14302	2.3
162.09882	1.0
173.15369	57.8
174.15680	2.8
181.06505	1.0
187.14632	0.9
267.42368	1.0
282.84274	0.9
325.11807	1.4
334.14505	1.0
353.06396	2.3
353.13742	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0843
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
56.98407	0.8
57.03440	1.3
61.02918	1.5
68.53346	0.8
69.03419	4.1
70.38472	3.8
73.02904	2.4
85.02898	7.1
96.62712	0.9
97.02879	3.0
119.01894	1.6
119.52240	0.8
127.03894	4.5
142.21669	0.8
143.01912	2.4
145.03438	1.4
145.04961	1.8
150.48825	0.8
155.01886	2.5
161.02965	4.0
173.02948	4.8
174.04489	0.9
175.52850	0.8
183.05063	2.0
185.02969	2.6
192.05583	1.7
203.04010	2.9
218.50041	0.9
233.04900	1.6
245.05103	6.2
263.06128	2.9
264.07617	1.9
272.06644	2.5
273.08307	1.3
275.06201	1.2
275.13815	1.0
305.07132	1.8
353.08438	100.0
354.08765	3.4
365.09015	1.5
368.47803	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26657	0.4
58.06569	0.5
58.49966	0.5
61.02924	0.6
69.03419	1.4
70.08446	1.9
81.03415	0.7
84.08143	0.7
85.02909	3.4
85.06551	0.5
97.02910	1.3
98.21464	0.5
102.09170	0.6
112.99062	0.5
113.47754	0.4
116.05014	0.8
118.94245	0.4
144.04472	0.7
144.10199	1.3
144.13824	1.0
153.01784	0.6
162.05492	72.8
163.05833	1.7
180.84956	0.4
190.04974	100.0
190.10733	1.8
190.14386	3.0
191.05334	3.2
244.61696	0.4
269.37836	0.4
274.06808	0.4
280.55594	0.4
311.26038	0.6
352.10120	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	5.4
57.03430	1.6
57.07054	5.7
59.04986	3.8
59.55187	1.2
61.02942	1.4
67.05497	10.8
69.03426	4.9
69.07049	10.1
69.65797	1.6
71.04990	7.8
71.58125	1.9
71.58522	2.1
81.03416	2.3
81.07037	4.5
81.33562	1.3
83.08606	12.0
85.02879	7.7
85.06531	13.5
86.09695	1.6
86.99954	1.4
91.05449	1.6
93.07013	2.3
95.04951	5.2
95.08614	11.1
97.02895	2.5
99.04432	3.7
99.08083	2.8
101.06011	4.8
105.07037	1.6
107.08571	2.0
109.02863	2.3
109.10152	36.9
113.06002	15.6
120.08106	17.9
127.03898	5.3
127.11181	3.1
129.09113	27.8
137.09583	6.3
141.05435	5.3
155.06996	4.4
155.10657	57.4
162.09152	4.1
165.06995	1.5
166.08580	1.9
167.07043	2.3
173.08105	3.9
173.11731	100.0
174.12106	1.9
177.05557	1.7
190.08549	1.6
191.06934	2.0
207.11673	2.1
225.12738	4.0
239.10623	1.8
293.15448	2.6
337.64230	1.4
353.17166	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.0
55.01852	5.4
55.05506	37.7
57.03435	21.4
57.07063	5.3
60.25488	1.9
65.03937	3.3
66.83460	2.0
67.05500	88.1
68.05811	2.7
69.03403	3.2
69.07063	31.6
69.51720	3.8
69.52126	15.2
71.04991	3.4
71.08626	24.0
72.08136	2.7
79.05486	66.4
81.03392	5.3
81.07051	76.2
82.07372	2.0
83.04962	6.7
83.08604	16.8
85.06506	6.1
91.05479	41.5
91.06020	4.2
93.07034	83.7
95.04960	10.4
95.08600	51.0
97.06510	6.9
97.10146	8.8
99.08091	14.7
105.07022	36.0
107.04964	3.1
107.08581	58.0
109.06522	6.1
109.10147	35.0
111.08068	2.6
117.07046	10.7
119.08572	38.6
121.10126	36.2
123.08041	3.9
123.11708	6.9
125.09639	12.2
129.07019	3.9
131.08537	14.5
133.10126	32.2
135.08057	3.7
135.11681	41.6
135.61642	2.1
137.09593	3.9
142.07805	2.2
143.08533	7.6
145.10114	16.5
147.11668	25.7
149.09607	3.1
149.13242	21.9
151.11162	10.5
153.12791	3.3
157.10103	5.6
159.11707	12.5
161.09439	2.7
161.13226	22.2
163.11206	6.2
163.14839	7.3
165.12735	3.1
170.42296	1.9
171.11684	7.3
173.11862	4.0
173.13217	5.7
175.11125	2.6
175.14792	8.3
177.12761	3.9
179.14302	40.8
183.11736	2.8
185.13226	10.9
187.14798	4.1
187.42505	2.0
189.11194	6.3
189.12712	3.4
191.14149	2.0
199.14806	2.8
213.16273	2.9
217.19435	2.1
221.15414	4.1
231.21114	3.5
235.16805	2.6
241.19467	15.1
259.20563	34.7
260.20892	2.7
277.21622	37.9
278.21799	2.1
331.69122	1.9
333.24426	6.9
351.25290	100.0
352.25571	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	1.2
53.03931	4.6
55.01865	2.3
55.05507	20.8
57.03440	7.1
57.07061	3.4
61.39505	1.2
65.03909	1.7
67.05499	50.4
68.23106	1.4
69.03418	1.6
69.07066	17.5
69.96843	8.3
71.04982	1.9
72.27752	1.5
75.04475	2.7
79.05484	69.2
81.03426	2.4
81.07047	67.5
83.04955	2.5
83.08613	7.5
85.06531	2.9
87.84132	1.4
91.05469	56.0
93.07032	93.2
94.07365	1.9
95.04950	9.7
95.08595	46.2
97.06506	2.7
97.10130	2.9
99.04414	1.8
99.08057	4.2
105.07018	57.8
107.04932	1.7
107.08584	57.1
108.08875	1.7
109.06516	3.5
109.10146	16.6
113.09636	2.3
115.05437	1.6
116.39723	1.5
117.07002	14.2
119.08571	55.6
121.10124	44.9
123.08050	3.8
123.11646	3.5
129.06976	9.6
131.08549	22.2
133.09091	2.8
133.10115	49.2
135.08087	2.2
135.11670	54.2
137.09589	2.0
143.08527	10.5
145.10112	24.6
147.11664	52.1
149.09595	4.2
149.13235	27.7
151.11211	2.1
157.10127	10.5
159.11676	23.3
161.09607	3.0
161.13240	38.9
163.11206	4.3
163.14777	8.9
165.12764	2.2
171.11655	14.8
172.12370	1.6
173.13237	11.3
175.11162	4.0
175.14835	16.3
177.12787	4.5
179.14261	1.5
185.13219	14.4
187.14787	4.5
189.12775	1.5
189.16476	2.2
191.14378	1.4
199.14767	8.8
213.16367	5.4
215.17757	1.6
217.15843	3.3
217.19606	2.5
221.15424	1.7
231.17537	3.1
231.21036	8.9
241.19481	39.1
242.19916	2.3
259.20541	100.0
260.20978	4.3
261.22147	1.5
276.97470	1.7
277.21622	17.0
281.18088	1.4
333.24167	10.8
351.25290	99.5
352.25638	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01859	3.6
55.05503	25.9
57.03436	31.6
57.07063	4.3
59.04990	1.8
61.93046	1.6
67.05502	50.9
69.07066	21.7
70.40942	6.7
70.41280	1.7
71.04980	3.2
79.05490	53.4
81.06577	3.4
81.07052	64.7
83.04982	2.6
83.08611	19.4
85.06515	6.6
91.05477	38.3
93.06471	3.6
93.07043	69.5
95.04945	6.9
95.08601	44.0
97.06509	6.2
97.10175	3.0
98.21349	2.8
99.08083	2.8
105.07024	38.8
107.08588	41.6
109.06506	5.2
109.10155	21.4
111.08070	5.0
113.06010	1.8
117.07010	10.9
119.08572	35.6
121.09314	2.6
121.10142	37.5
123.08015	2.7
123.11696	6.7
129.07019	2.8
131.08571	17.5
132.08908	1.9
133.10120	33.1
135.08104	2.0
135.11681	29.7
137.09584	2.7
139.11139	1.9
143.08549	6.3
145.10115	16.8
147.10638	3.2
147.11693	33.7
149.09592	3.1
149.13225	19.2
157.10118	4.6
159.11682	14.6
161.13245	18.0
163.11182	2.6
163.14793	5.2
165.12796	2.4
171.11668	7.2
173.13254	10.8
174.57967	1.6
175.14838	8.5
179.17738	1.6
185.13269	8.3
187.14792	7.5
189.12740	2.0
199.14806	4.8
201.16354	2.8
203.17952	3.0
205.15904	5.3
209.15388	1.5
213.16331	3.9
219.45367	1.7
221.18983	4.9
231.21068	5.7
241.19492	17.5
242.02605	1.8
259.20569	50.2
261.22180	1.7
263.14520	1.6
277.21649	20.7
315.19214	2.3
333.24210	7.6
351.25269	100.0
352.25565	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.9
55.01873	2.6
55.05508	14.6
56.96558	3.8
57.03442	8.4
57.07058	4.3
61.02893	2.6
62.60274	1.4
62.60822	1.6
65.03956	2.1
65.68995	1.6
67.05502	43.1
69.03414	3.5
69.07063	18.9
70.92054	5.2
71.04980	3.7
71.08617	2.3
73.02905	1.6
75.04492	2.3
77.56900	1.8
79.05489	58.6
81.03406	6.8
81.07055	54.2
83.04963	5.9
83.08609	10.6
85.02892	2.9
85.06534	4.8
87.33298	1.4
89.06022	1.5
89.38477	1.4
91.05473	45.2
93.07037	81.1
94.07374	1.7
95.04987	7.7
95.08603	42.2
97.02909	3.4
97.06525	4.1
97.10171	5.5
99.08093	5.0
101.52203	1.7
105.07024	62.6
107.04931	1.8
107.08586	51.3
109.02855	1.6
109.06510	5.0
109.10149	16.8
111.04415	2.9
111.08026	2.8
112.79346	1.6
113.09637	1.9
117.07004	12.0
119.08575	48.5
121.06490	3.5
121.10132	43.4
123.08056	2.5
123.11683	4.9
125.09608	2.6
127.03925	4.5
129.06984	7.8
131.08592	18.9
133.06430	2.4
133.10126	47.5
134.10529	1.7
135.08008	2.4
135.11690	44.0
137.05977	10.7
137.09590	4.7
137.13252	2.1
137.22224	1.7
142.07755	2.3
143.08586	8.3
145.10117	21.9
147.11678	43.7
149.09612	4.5
149.13237	24.7
157.10106	12.2
159.11684	17.4
161.09610	11.3
161.13254	37.1
162.13637	2.0
163.11180	5.8
163.14828	9.8
171.11679	12.9
173.13283	11.6
174.13695	1.8
175.11168	3.5
175.14825	18.6
177.12717	3.5
179.14371	2.1
185.13271	13.7
187.14861	4.2
189.00575	2.9
189.09073	2.0
189.12801	3.2
189.16475	2.0
199.14851	7.2
203.14180	3.4
213.16327	4.5
217.15834	1.7
217.19423	4.8
219.74875	1.9
231.17413	2.3
231.21068	8.1
241.19478	37.5
241.21715	2.9
259.20554	93.6
260.21036	2.6
267.09064	3.7
267.15674	1.8
268.09534	2.2
271.12262	2.0
272.22479	1.7
277.18076	4.6
277.21606	16.2
285.10165	8.1
286.10440	5.5
295.19019	2.2
315.22989	2.1
333.24222	8.0
351.14160	2.8
351.25305	100.0
352.25452	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	350.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	9.9
57.02798	2.6
66.45738	2.4
67.05482	7.1
69.03428	6.3
69.07063	10.5
71.05000	4.1
71.59765	2.8
79.05482	13.2
80.65769	3.0
81.03416	4.1
81.07057	13.3
83.08633	3.3
85.02911	17.7
91.05493	12.1
93.07044	88.1
95.04949	5.6
95.08614	20.1
97.02884	6.3
97.06532	100.0
99.04437	2.9
100.11238	10.8
105.07024	7.1
107.08595	94.4
108.08958	3.4
109.02834	3.8
109.06489	2.7
109.10146	9.9
111.08082	3.5
119.08576	4.1
127.03926	4.6
133.10104	2.8
135.11688	72.4
145.04893	3.4
153.12755	23.4
171.13792	2.8
172.51883	2.9
272.87469	2.5
277.23004	7.9
344.31104	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.0
55.01865	2.5
55.05507	13.7
57.03436	9.6
57.07059	5.1
58.35350	1.1
65.03912	2.3
66.98653	1.2
67.05502	44.1
69.07061	16.9
69.41425	10.4
69.41833	2.5
71.04980	4.1
71.08620	2.7
75.04488	3.6
79.05488	64.2
81.07052	52.4
82.07344	1.5
83.04980	2.2
83.08630	9.4
85.06531	4.4
89.06033	1.7
91.04877	2.4
91.05470	46.5
93.07036	86.9
94.07394	2.1
95.04941	7.0
95.08047	2.4
95.08601	35.5
97.06540	3.5
97.10152	3.9
99.08074	4.9
105.07019	55.9
107.08581	49.3
109.06513	3.8
109.10139	14.0
111.08070	2.0
113.09665	1.4
115.07706	1.3
117.07015	11.7
119.08575	48.7
121.10130	41.2
122.10421	1.9
123.08067	2.1
123.11685	4.8
125.62110	1.4
126.69445	1.3
128.06230	1.7
129.06990	10.6
131.08562	20.4
133.10117	42.4
135.08087	1.4
135.11682	42.8
137.09608	3.0
137.13258	1.5
143.08527	9.6
145.10118	21.4
147.10501	2.6
147.11676	46.3
148.12018	2.0
149.09595	4.0
149.13252	29.6
154.03726	1.4
157.10089	10.4
159.11684	16.7
161.09615	2.5
161.13249	37.2
163.11165	2.9
163.14850	10.9
171.11664	14.7
173.13252	10.2
175.11121	2.9
175.14818	17.1
177.12715	4.2
179.14314	2.5
181.12160	1.3
185.13216	12.6
187.14827	4.1
189.12706	2.4
199.14761	7.8
203.14366	3.5
213.16403	3.5
215.17819	2.0
217.15942	2.2
217.19498	4.2
217.34041	1.4
221.15428	1.4
231.17503	3.4
231.21074	9.5
241.19502	43.9
242.19949	2.5
247.79401	1.5
259.20557	98.2
260.20941	3.9
277.21637	19.1
333.24265	11.5
351.25269	100.0
352.25467	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
56.96570	0.8
57.03407	1.1
60.94499	0.5
61.02910	1.4
65.03943	2.7
65.23466	0.6
67.05487	1.1
68.99796	1.3
69.03446	3.1
70.03281	0.5
70.06565	1.2
70.20339	1.5
70.20745	1.0
71.05000	0.7
72.64812	0.5
73.02898	0.8
81.03411	1.3
83.04971	2.4
85.02898	10.7
91.03931	0.8
92.20056	0.5
93.03417	1.5
97.02892	4.2
98.20718	0.8
99.04446	0.8
109.02890	1.3
111.04435	21.2
121.03975	1.1
123.04448	1.5
127.03949	2.8
135.78961	0.5
139.03897	62.9
145.04941	2.7
151.03902	0.6
153.01802	2.9
153.05458	2.7
156.04152	2.2
157.66524	0.6
170.11938	0.8
171.06517	100.0
180.08630	2.3
188.03738	1.0
214.59381	0.6
247.06087	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.5
55.04552	1.2
60.04509	1.1
65.03942	2.3
67.05495	1.6
68.99774	2.8
69.73649	8.7
70.06587	1.3
72.04490	2.6
79.05470	2.5
81.03399	1.5
81.07028	2.1
82.06565	1.7
83.04982	1.8
84.04511	10.3
91.05455	2.4
93.03377	1.4
94.06593	1.3
95.04935	3.4
97.02860	1.6
98.21135	3.9
100.03941	2.5
103.05479	1.8
105.07026	1.5
106.52466	1.3
107.04946	4.2
109.02876	3.3
110.06067	2.4
111.04416	5.4
118.06509	2.5
119.04929	2.8
120.08117	1.9
121.02876	1.7
121.06529	2.0
123.04420	54.4
124.04758	1.7
124.07566	1.8
126.05507	4.5
127.03919	2.0
133.02841	1.3
133.06427	1.5
134.05928	1.7
135.04381	4.4
136.07550	4.6
137.05952	1.8
138.05495	5.8
139.03891	100.0
140.04210	2.1
140.06960	1.2
143.04890	1.9
146.06013	3.8
147.04431	8.9
147.06741	1.3
148.07552	2.7
149.05988	1.5
149.95180	1.1
150.05508	1.6
151.03885	11.3
152.07053	18.4
153.05446	2.4
153.09093	1.3
154.05005	1.7
155.03351	4.8
160.07570	2.4
161.05957	3.3
162.05519	1.6
163.01147	1.2
163.03923	11.8
164.07086	10.0
165.05450	5.4
166.04959	2.1
166.08636	2.3
168.06555	5.1
176.07083	4.8
177.05481	5.4
178.08646	2.2
180.06516	8.4
181.04955	5.7
181.07330	1.9
182.08083	4.2
183.03004	1.6
188.07050	1.9
189.05397	1.6
192.06572	10.9
193.05101	1.7
194.08092	16.1
195.06596	1.9
197.01193	1.2
205.04843	1.4
206.08186	2.9
208.06046	1.6
227.06992	1.5
269.07776	1.6
274.10672	2.3
287.09094	2.4
288.08502	2.6
289.07053	2.9
290.10254	4.2
297.07599	2.1
306.09659	4.6
314.10175	5.4
315.05206	1.6
315.08417	5.9
332.11246	30.8
333.05844	2.0
333.11755	1.4
350.08417	1.8
350.12305	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	350.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.01843	1.3
55.95342	1.1
60.04516	1.1
60.69316	0.9
65.03930	2.1
67.05499	2.1
68.99776	3.1
69.03416	2.3
69.66557	8.2
70.06565	1.3
72.04514	2.3
79.05470	3.0
81.03409	1.2
81.07043	2.0
83.04949	1.2
84.04501	11.6
85.02887	2.5
86.07592	1.0
86.09689	1.3
91.05454	2.7
93.03430	1.6
93.07057	1.3
94.06564	1.6
94.61081	0.9
95.04945	3.9
97.02874	1.2
98.06036	1.6
98.20747	2.1
100.03957	2.6
105.07037	1.6
106.47160	1.2
107.04937	4.4
108.08067	2.3
109.02867	1.7
110.06003	1.5
111.00782	1.8
111.04414	7.0
115.05470	2.0
118.06548	2.4
119.04923	2.9
120.08100	3.3
121.02843	1.1
121.06479	2.1
122.06017	1.3
123.04424	54.8
124.04775	2.4
124.07597	2.3
126.05482	5.5
127.03922	1.5
133.02798	1.3
134.06003	2.5
135.04384	4.0
136.07594	6.0
137.02315	1.4
137.05981	2.8
138.05469	5.6
139.03893	100.0
140.04156	1.8
145.02908	1.3
146.05992	4.9
147.04385	8.1
147.96446	1.0
148.07574	3.1
149.02287	1.5
149.06001	2.9
150.05405	1.6
151.03935	8.6
152.07065	19.7
153.05496	3.2
154.04982	1.1
155.03360	6.9
155.84924	1.3
159.04340	1.1
160.07573	2.3
161.05975	2.7
162.05540	2.3
163.03900	12.1
164.07027	10.2
165.05450	6.7
166.04872	1.4
166.08641	3.4
168.06554	5.5
169.04874	1.2
176.07089	4.5
177.05466	4.8
180.06535	10.7
181.05026	5.7
181.06429	1.2
181.07240	1.2
182.04532	1.3
182.08125	4.3
183.02936	1.9
188.07094	1.7
189.05452	2.1
191.05742	2.0
192.06532	10.4
193.07251	1.6
194.08125	19.8
195.06526	2.6
198.07652	1.9
206.08144	2.2
212.09171	1.7
212.29428	1.2
251.07112	1.4
271.05994	1.4
272.09073	1.2
273.07590	1.2
274.10553	2.6
286.10745	2.9
287.09222	1.8
288.08804	1.6
289.06888	2.4
290.10071	1.8
297.07526	3.9
304.11871	1.6
306.09607	5.1
314.10229	5.2
315.05066	1.2
315.08667	4.4
332.11276	28.7
333.09576	1.8
343.54886	1.0
350.08286	1.0
350.12268	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	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
52.74542	1.2
55.05490	1.8
57.07075	2.7
66.52258	1.4
67.05494	3.3
69.07058	3.4
69.54897	9.1
69.55300	2.4
69.61128	1.1
71.08623	1.4
72.24585	1.0
79.05489	3.3
81.07050	5.1
85.06535	1.7
91.05447	1.5
93.07021	2.7
93.88663	1.1
95.08596	3.0
97.76456	1.1
103.67336	1.1
103.73962	1.1
105.07043	1.9
107.08570	2.6
109.06515	14.8
109.10156	1.6
119.08553	2.0
121.10136	3.1
122.07264	1.9
123.08056	20.6
133.10129	1.7
135.08035	2.9
137.13264	1.3
158.30351	1.4
179.14302	96.0
180.14685	1.7
193.15807	1.7
259.37576	1.2
294.52756	1.3
331.26202	2.7
349.27371	100.0
350.27945	2.1
357.13657	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05492	2.3
57.07065	3.9
67.05507	3.0
69.07069	3.5
70.00028	0.6
71.08620	2.6
71.60336	0.7
79.05478	1.7
81.07066	6.6
83.04944	0.6
83.08612	1.5
85.06544	2.3
89.06001	0.7
91.05469	1.2
93.07053	3.1
95.04961	0.8
95.08604	6.1
97.06523	0.7
97.10178	0.9
99.08064	1.1
105.07021	2.2
107.08556	2.4
107.33537	0.6
109.05778	1.2
109.06510	15.7
109.10151	2.0
111.08051	1.1
117.07100	0.7
119.08576	2.9
121.10116	2.0
122.07272	2.1
123.07186	1.4
123.08064	22.8
123.11689	1.5
133.10094	1.9
135.08037	2.2
135.11658	1.0
137.09624	1.0
142.65323	0.6
147.11664	1.4
149.13190	1.1
159.11732	0.6
161.13324	0.7
167.14284	0.9
177.16493	0.7
179.14305	100.0
180.14665	1.6
193.15858	3.5
195.99800	0.6
244.25018	0.7
275.20111	1.4
293.21054	1.0
331.26334	2.4
349.27371	93.6
350.27841	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.7
55.01859	4.9
55.05503	17.3
56.96573	5.4
56.96899	1.0
57.03433	16.4
57.07062	3.2
61.02906	3.8
65.03928	1.7
67.05169	2.0
67.05498	28.5
69.03403	3.1
69.07062	21.2
70.06593	1.7
71.04975	3.8
71.59623	2.1
74.44333	1.4
79.05486	32.0
81.03397	5.4
81.07051	38.7
83.04963	9.3
83.08616	7.3
85.02892	6.4
85.06524	3.8
87.04440	1.2
91.03952	1.9
91.05473	30.4
93.06466	2.4
93.07038	37.7
93.07624	2.3
95.04962	10.2
95.08598	22.5
95.09168	1.8
97.02879	2.1
97.06503	7.4
97.10155	4.7
98.97581	2.9
99.04492	1.4
99.08086	1.4
105.07019	31.4
107.04961	12.4
107.08582	34.1
109.02856	1.4
109.06517	14.2
109.10148	13.4
111.08082	4.4
112.87978	1.2
115.05415	1.8
116.98605	1.9
117.06976	9.4
119.08567	21.7
121.06509	10.6
121.10133	13.3
121.61159	1.1
123.08058	7.1
123.11687	3.4
125.05925	1.4
125.09610	4.7
127.03905	2.3
129.06990	3.1
131.08562	20.6
133.06479	4.8
133.10126	22.2
135.08026	4.7
135.11650	7.8
137.09616	1.8
141.06961	1.4
143.08554	5.0
145.06445	2.0
145.10100	23.4
147.08038	3.9
147.11670	14.4
149.09604	8.9
149.13293	5.5
151.11171	6.4
153.01808	2.4
155.08559	2.4
157.10110	5.2
159.08028	2.6
159.11679	13.4
161.09616	4.3
161.13266	4.2
163.11227	7.2
163.14699	2.1
165.12787	1.5
169.10110	2.5
171.11653	4.3
173.09637	3.0
173.11885	1.7
173.13187	5.8
175.11194	3.1
175.14960	1.1
177.12729	3.7
179.14371	1.3
183.11661	3.8
185.13199	2.1
187.11182	3.0
189.11235	2.2
189.12773	2.7
191.14308	2.8
193.12325	1.3
195.13782	1.2
195.26128	1.2
197.13168	2.4
199.14769	1.5
201.12737	2.2
203.05869	1.3
207.13835	2.6
211.13240	1.5
213.07910	2.0
213.16615	1.2
215.14244	1.2
215.17844	2.8
219.13789	2.9
229.19521	4.1
233.15176	1.5
237.14864	1.3
239.17793	6.1
247.20604	3.0
257.18976	21.3
267.09021	6.1
268.13107	1.6
269.10535	4.9
269.17255	2.7
275.20041	100.0
276.20392	4.5
285.10074	19.0
287.11472	1.6
292.12082	1.5
293.21069	8.8
308.11685	2.2
331.22641	1.7
331.26190	1.5
349.20132	2.7
349.23703	51.6
349.27332	2.8
350.23975	2.8
353.19873	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.01873	4.8
55.05510	14.1
56.96553	3.3
57.03436	15.8
57.07055	4.1
61.08885	1.0
65.03934	1.7
67.05505	28.7
67.45387	0.9
69.03410	2.3
69.07065	17.4
70.09582	4.9
71.04987	2.8
75.36742	0.9
79.05053	1.6
79.05491	22.8
81.03396	2.8
81.06580	1.7
81.07054	32.4
82.57957	0.9
83.04983	7.5
83.08614	4.8
85.02901	2.4
85.06553	2.0
90.92522	0.8
91.04966	1.8
91.05479	22.6
93.07041	29.4
93.46652	0.9
95.04967	8.7
95.08609	17.7
97.06522	4.0
97.10129	2.1
99.08103	1.2
105.07024	24.2
105.22411	0.9
107.04954	10.0
107.08585	17.6
109.06528	9.8
109.10153	8.3
111.08072	2.3
115.05375	1.0
116.13769	1.0
117.07008	8.0
119.08569	17.0
121.06497	14.0
121.10136	11.4
123.08089	5.8
123.11719	2.6
125.09616	1.7
128.83760	0.9
129.06982	3.1
130.07742	1.0
131.08559	17.6
133.06477	3.5
133.10126	15.3
135.08060	5.9
135.11674	4.4
137.09596	2.8
141.06956	1.8
143.08539	2.8
145.04401	1.1
145.06444	1.9
145.10121	14.3
147.08052	3.2
147.11699	10.8
149.09628	5.9
149.13242	3.9
151.11172	5.1
155.08553	1.8
157.10132	4.3
159.08041	2.8
159.11711	7.1
161.09589	2.8
161.13266	4.0
163.11176	7.8
163.14772	1.3
169.10088	2.7
171.11681	3.2
173.09612	2.5
173.13269	4.3
175.11191	2.5
177.12747	2.1
179.14236	1.3
183.11656	2.1
185.13158	1.3
187.11203	1.8
187.14734	1.3
189.12796	1.4
191.14278	2.4
197.13208	1.4
201.12747	2.4
205.19508	1.5
207.13835	3.2
211.14757	1.1
215.14339	2.4
219.13812	4.0
229.19556	2.9
233.18954	1.1
239.17941	4.4
247.20590	2.6
257.18979	15.3
267.09000	2.4
269.10541	2.8
275.20059	100.0
276.20480	5.5
285.10052	3.8
286.10611	1.3
287.11404	1.1
289.72742	1.0
293.21103	11.4
344.00763	1.0
349.23706	47.5
350.23956	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	18.4
53.05793	2.2
55.01868	12.9
55.05508	31.7
55.64965	2.6
57.03434	19.9
57.07072	3.0
61.02930	4.8
65.03958	3.3
67.05502	70.8
68.05824	2.3
69.03430	5.7
69.07063	66.8
71.04980	4.1
71.32389	6.4
76.53090	2.4
77.17568	2.4
79.05486	66.4
81.03424	34.2
81.07052	100.0
83.04975	16.9
83.08606	15.4
85.02887	5.5
91.03948	4.2
91.05478	71.6
92.05801	2.9
93.07047	68.1
95.01329	25.5
95.04954	24.6
95.08598	62.0
97.02890	4.3
97.06521	24.4
97.10183	4.2
99.04452	2.7
103.05515	3.0
105.07021	90.1
107.04950	41.7
107.08582	40.6
109.06519	8.2
109.10139	14.8
111.04437	3.1
111.08083	7.2
115.05383	2.4
117.07018	22.7
119.08577	50.2
120.01838	2.9
121.06506	8.0
121.10135	17.4
123.04417	5.3
123.08063	14.1
123.11745	5.7
125.09628	4.6
129.07022	4.6
131.08562	33.1
133.03462	3.1
133.10118	57.3
135.08063	7.8
135.11673	15.2
137.09636	3.5
139.07523	3.8
141.06981	6.7
143.08568	7.7
145.06488	7.5
145.10107	27.7
147.08029	2.8
147.11679	23.3
149.09605	11.8
149.13257	10.0
151.11118	3.3
152.20998	2.6
157.10112	5.2
159.11691	25.0
161.02962	3.4
161.13251	11.9
163.11200	6.0
165.09123	3.8
169.10170	6.0
171.11787	6.8
173.13251	10.4
176.60315	2.4
177.12750	9.2
179.14316	28.3
183.11720	3.1
185.13216	3.1
187.11217	9.3
187.14841	3.8
195.13829	6.1
197.13199	5.3
212.54118	2.6
215.18118	2.6
217.15402	2.9
220.06981	2.7
229.19617	2.7
246.70145	2.4
247.20686	3.5
257.19049	11.5
269.10562	6.3
269.17462	4.3
275.20053	83.8
276.20526	3.7
287.11588	4.8
301.20230	6.1
349.23700	69.1
349.34171	4.3
350.17014	3.2
350.24121	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	349.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52391	1.0
57.03421	0.9
59.94691	0.9
69.03407	1.6
70.06593	1.3
71.51243	1.2
71.51593	1.6
81.03409	1.1
81.07050	7.0
83.04966	1.3
84.04497	2.8
85.02884	2.4
87.02671	1.8
91.05455	2.8
94.89491	0.9
95.08595	1.1
97.02883	1.8
98.20891	1.2
99.08044	1.1
113.58739	0.9
119.32698	0.9
122.02730	3.0
123.04434	2.4
147.04404	1.6
151.03902	3.5
153.01790	4.3
162.01437	1.1
177.05455	2.1
185.02528	2.0
185.04204	49.2
187.03648	100.0
188.03903	1.6
202.08951	4.2
220.09962	1.3
281.24844	1.1
292.63669	1.1
303.08600	1.1
349.08905	74.8
349.13077	2.8
350.09134	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	1.9
53.03944	18.6
55.01873	20.6
55.05262	2.6
55.05508	28.8
56.96556	3.9
57.02272	1.7
57.03433	21.4
57.26296	1.8
60.12277	1.7
61.02914	2.0
62.73578	1.9
63.47225	1.6
65.03928	2.6
66.60096	1.6
67.05503	78.2
69.03415	5.7
69.07067	73.0
71.04977	4.3
73.02901	3.1
77.00892	1.9
79.05489	63.0
81.03412	44.6
81.07053	96.7
83.04974	17.1
83.08608	17.6
85.02903	4.3
85.06533	4.2
91.03947	2.2
91.05476	70.2
93.07043	67.9
95.01328	31.6
95.01883	3.7
95.04975	25.2
95.08599	56.8
97.02892	3.7
97.06519	31.1
97.10159	4.0
99.08050	2.9
103.05486	3.1
105.04543	2.0
105.07023	100.0
106.07337	2.8
107.04949	49.0
107.08595	30.9
109.02853	2.0
109.06474	12.6
109.10162	14.4
111.04447	2.0
111.08081	6.0
115.05437	2.2
117.07001	26.8
119.08573	52.2
121.06487	7.1
121.10122	14.8
123.04424	5.6
123.08081	13.7
123.11686	4.0
125.09644	4.1
128.98773	2.0
129.07004	5.0
131.08545	35.9
133.10129	64.8
134.10500	2.9
135.08052	8.0
135.11679	16.4
137.09618	4.0
141.06961	4.6
143.08530	7.0
144.09146	2.5
145.06462	7.8
145.10110	23.7
147.11676	23.2
149.09631	10.5
149.13229	12.3
151.11125	3.7
155.08533	2.3
157.10126	5.3
159.08038	2.4
159.11691	29.8
161.09625	3.7
161.13272	9.1
163.11163	8.6
165.09099	3.7
169.10121	7.8
171.11749	5.1
173.13210	6.6
177.12758	13.2
179.14301	38.9
183.11655	3.8
187.11110	10.2
195.13715	3.1
197.13205	4.2
201.09750	2.2
205.12279	4.4
215.11238	2.2
239.17909	2.8
241.14442	3.4
243.09052	2.1
247.20598	5.3
253.13000	4.3
257.19043	14.9
267.09045	5.5
269.10657	4.7
269.17487	3.3
271.13837	4.5
275.20062	85.0
276.14368	2.0
276.20465	3.5
285.10031	14.9
293.20972	2.5
349.23709	73.5
350.24030	4.0
352.27258	1.9
368.82074	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	349.0529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01105	1.3
61.02915	2.4
67.92967	1.3
70.85406	4.5
101.00893	2.8
113.00886	2.1
119.01906	14.7
131.01904	6.3
133.03517	2.4
137.02951	2.7
143.01901	1.9
145.03558	1.5
149.03008	1.8
155.01878	2.0
161.02974	3.3
168.99832	3.6
173.02936	3.5
187.00928	6.5
187.05811	5.6
196.99368	2.9
215.00397	12.6
229.01898	4.4
239.72189	1.4
247.02971	14.0
259.03033	3.1
267.63348	1.6
277.03915	2.3
289.03943	3.1
305.11386	1.7
345.88718	1.8
349.05402	36.9
349.11053	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0529
Annotation	CCRIS 4079
Peak:m/z	Relative Intensity
56.53112	2.5
64.06680	3.2
70.30719	13.7
70.31071	2.9
85.02919	7.2
90.30758	2.8
118.51783	2.9
119.01900	5.0
128.50113	3.0
131.01942	4.2
150.40051	3.2
153.01778	3.4
161.02858	2.9
201.91042	3.0
215.00354	5.2
237.02780	2.9
247.02896	4.8
289.00864	2.8
331.09885	8.5
349.05194	77.8
349.10898	100.0
350.05722	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	348.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01865	2.9
56.05024	3.6
56.96562	3.4
57.03425	4.0
61.02914	4.7
62.62348	1.2
64.70850	1.2
67.05482	3.4
69.03426	10.9
70.06593	3.5
71.04990	1.2
71.58294	2.1
73.02914	2.8
79.05486	1.6
80.05039	2.3
81.03422	6.2
84.04473	2.3
84.08131	2.8
84.96020	1.1
85.02412	2.0
85.02905	23.6
86.09692	5.0
91.03944	1.8
94.06559	12.3
95.04947	2.8
95.07347	2.0
96.04488	2.8
97.02892	13.9
98.97572	6.9
99.04445	2.2
101.06046	1.2
106.06554	5.1
107.04906	1.4
108.04482	5.4
108.08127	9.7
109.02866	4.5
110.06046	10.1
111.04432	1.2
112.07603	1.2
116.98593	2.9
119.01889	4.8
121.06470	1.3
122.06020	39.9
123.06810	34.2
124.07584	7.1
126.05512	1.5
127.03105	1.4
127.03931	7.8
128.98630	1.5
131.00122	1.3
131.01826	1.6
132.10194	1.8
133.03462	2.5
134.06071	5.4
134.99658	1.6
136.06183	22.1
136.07605	6.5
137.05951	2.4
137.08311	4.8
138.05496	100.0
139.03917	1.8
139.05908	1.4
140.07043	9.6
143.01949	1.6
145.03444	1.9
145.04964	3.5
149.05943	1.4
150.05498	80.4
151.06287	39.9
152.07068	18.4
153.01796	6.2
153.07809	3.5
154.08621	1.3
156.06560	3.2
157.03458	1.6
158.99739	1.3
161.02962	2.1
161.04654	1.7
166.08636	2.7
167.07042	10.7
168.06555	93.5
169.07188	3.7
170.08133	4.1
173.02847	2.0
174.06190	1.3
175.02705	1.6
177.00728	2.4
177.05475	1.8
178.04964	1.5
180.06480	2.2
184.05028	1.4
184.09624	2.1
185.02855	1.3
186.06102	2.7
186.07616	22.1
186.11288	1.5
187.02693	1.2
205.03807	2.7
209.08073	3.5
216.09871	1.6
219.01744	2.5
221.05025	1.9
227.09109	5.0
229.06543	1.6
237.02795	5.5
245.05006	1.8
266.58395	1.4
275.05469	1.2
288.09302	2.5
302.12314	5.7
312.10773	1.3
314.12338	1.5
318.08691	2.2
321.10461	1.5
330.11801	12.1
347.60938	1.8
348.12820	91.3
349.08179	4.4
349.11182	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01871	0.9
56.96561	0.4
57.03430	1.1
60.04526	0.9
61.02908	1.2
61.62097	0.4
67.05497	1.3
67.32093	0.5
69.03418	4.6
69.07062	38.1
70.06579	2.9
70.60804	0.9
70.61168	0.9
71.04967	0.4
71.31232	0.4
73.02892	1.0
81.03406	1.9
81.07037	0.5
82.06476	0.5
83.04985	0.5
85.02898	14.3
95.04964	3.0
97.02888	6.3
97.06515	4.8
98.97562	0.4
99.04456	1.0
109.02867	3.1
112.07600	4.4
113.09631	0.4
119.04973	0.5
123.04411	2.3
126.05508	1.1
127.03886	3.6
135.04486	0.5
136.06215	0.6
136.07591	0.6
137.06003	0.5
138.05519	0.6
139.03886	2.0
140.07048	42.3
141.05418	0.9
141.07385	1.2
145.04927	1.2
147.04373	0.6
153.01813	2.0
154.08618	0.8
163.03886	0.6
164.07028	0.5
168.06546	100.0
169.06894	2.8
180.06506	1.6
182.08107	9.8
186.07602	19.7
186.11224	1.3
187.04144	0.5
206.08113	1.1
210.07599	18.2
228.08583	1.9
234.07529	2.4
237.02776	0.6
252.08681	0.6
253.05055	0.5
264.08759	1.1
276.08618	2.2
294.09879	0.7
330.11969	1.0
345.34210	0.4
348.10001	0.7
348.13263	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.5
55.01866	2.1
55.42042	1.3
58.53102	1.3
60.04503	5.4
65.03922	3.2
66.85095	1.4
67.01843	2.0
67.05483	3.8
68.99780	6.6
69.03417	4.8
70.87169	4.5
75.78497	1.4
79.05469	2.7
80.04977	2.0
81.07022	1.9
83.04962	2.2
84.04482	8.2
85.02875	2.9
86.09703	2.1
91.05473	2.8
91.51102	1.3
93.03382	1.5
95.04951	6.3
97.02892	2.3
98.21349	1.4
105.03393	2.4
107.04973	2.9
108.04472	2.7
109.02853	3.7
109.06496	1.5
110.06038	2.8
111.00744	1.7
111.04438	8.1
112.03896	1.9
118.06502	2.0
119.04913	5.3
122.05981	2.1
123.04421	100.0
124.03910	2.5
124.04780	1.9
125.02325	2.0
126.03689	1.6
126.05511	3.3
127.03886	6.4
131.04907	1.5
132.04425	3.3
133.02843	3.0
134.05998	4.8
135.04388	8.0
136.03886	3.7
136.07553	2.3
137.02304	6.1
137.05948	2.8
138.05501	17.4
139.03893	82.6
140.03383	6.4
140.07033	1.5
142.04944	3.2
144.04735	2.1
146.05978	4.2
147.04431	12.3
148.03877	4.1
149.02303	12.9
149.05940	3.5
150.03003	1.7
150.05470	3.5
151.03868	12.6
152.07022	7.4
153.01901	1.8
153.04265	1.7
153.05457	2.1
154.04977	32.2
155.03377	18.6
157.06470	1.6
159.04375	1.5
161.05983	2.2
162.05484	8.8
163.03889	35.0
163.06091	1.8
164.07057	13.5
165.05460	10.8
166.04976	31.2
166.08548	1.8
167.03380	3.1
168.06520	15.9
173.05887	1.5
175.03821	1.3
176.07068	5.4
177.05472	6.0
178.04985	14.2
179.03407	8.6
179.05580	1.6
180.06543	67.2
181.04941	4.9
181.06886	3.3
182.08092	2.6
184.05984	4.8
185.05872	1.9
186.05818	11.9
187.03889	1.8
188.07031	2.2
189.05411	2.6
189.07858	2.5
192.06500	7.6
193.04990	3.5
194.08122	7.5
196.04279	2.3
196.06030	29.1
196.07784	2.3
197.06049	2.4
198.07584	1.9
201.05373	2.4
203.07008	3.1
204.06538	6.4
208.06033	37.0
210.05730	2.7
210.07597	17.0
211.07719	1.5
213.05406	2.7
222.07646	1.8
228.06525	1.4
229.04941	2.1
247.05910	2.0
256.09796	1.5
260.09174	1.7
270.07599	2.3
271.05930	7.7
285.07614	1.8
286.06952	1.6
287.05496	3.2
288.08701	7.2
289.07016	6.1
295.16632	1.6
297.99960	1.6
299.73520	1.4
302.10211	4.0
303.08661	2.0
306.09744	8.7
312.08636	3.2
313.06812	1.6
320.11270	1.6
330.09689	23.3
331.08212	5.8
348.10727	71.4
349.11044	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	347.2193
Annotation	Cortexolone
Peak:m/z	Relative Intensity
52.50620	0.7
56.05008	2.5
57.07056	2.6
70.93813	2.2
81.07041	2.3
85.02908	0.8
88.07645	4.3
91.51590	0.8
93.07038	1.4
93.21349	0.8
95.08597	2.1
97.02905	0.7
98.97588	1.3
107.08562	0.9
116.98650	0.8
121.10203	0.8
149.01186	2.4
156.03639	1.2
159.11668	0.9
167.02272	1.2
175.26416	0.7
191.03893	1.3
193.04938	1.0
220.01561	0.8
249.14725	1.0
258.94629	0.9
266.14606	1.1
299.31345	6.0
313.72791	1.0
329.32602	0.9
347.17316	6.9
347.21909	100.0
347.33466	19.5
347.67377	1.9
348.22281	2.9
367.68564	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1852
Annotation	Laxiflorin A
Peak:m/z	Relative Intensity
55.01868	9.3
55.05500	16.8
67.05501	32.7
69.03428	77.8
69.07064	8.1
70.06578	6.1
71.57941	8.1
76.17370	4.8
79.05480	29.7
81.03426	9.2
81.07047	41.2
83.04958	10.8
85.02902	27.3
91.05481	33.0
93.07023	27.1
95.04984	26.7
95.08582	26.3
97.02863	9.5
97.06520	10.5
99.04409	9.8
105.07029	34.8
106.06484	5.3
107.04961	10.2
107.08625	31.2
109.02913	5.7
109.06540	32.0
109.10140	21.9
115.05465	8.3
117.06997	11.2
119.08574	89.2
121.06485	20.4
121.10152	14.8
123.04441	20.2
123.08058	12.6
125.05961	7.9
127.03890	7.1
128.06216	6.5
129.06973	13.4
130.92480	4.7
131.04869	5.0
131.08568	17.2
133.10106	8.3
135.04440	11.7
135.08054	19.7
137.06035	6.2
137.09608	30.5
139.03905	17.7
141.06982	13.6
142.07799	10.7
143.08563	18.4
145.06473	9.6
145.10118	15.8
145.45688	4.6
147.04393	8.5
147.08038	15.9
149.09601	12.6
150.05424	6.0
151.07536	16.8
151.47253	5.3
153.01799	15.5
153.06989	5.3
155.08540	10.5
157.06491	6.1
157.10115	16.1
158.07234	7.5
159.08041	29.0
161.05939	11.3
161.09627	30.2
163.07538	12.0
165.06995	12.6
167.07063	8.9
167.08603	12.3
167.10658	10.0
168.06581	4.6
168.10262	14.7
169.10097	12.6
171.07999	8.9
171.11771	6.8
172.08838	9.0
173.09624	18.4
174.55823	5.2
175.11201	9.0
177.09109	16.5
179.08539	7.4
180.06583	13.5
180.09198	6.4
181.10086	11.1
183.08034	7.5
183.11670	9.6
185.09695	15.2
185.11682	8.4
186.11279	11.3
187.07475	5.3
187.11154	20.2
189.09091	8.5
195.08102	10.9
195.11679	24.6
197.09671	11.4
197.13280	20.5
198.10361	5.9
199.11195	13.1
201.09070	7.6
201.12828	6.8
203.10625	8.8
205.08575	9.5
207.11656	7.8
209.09631	10.3
209.13275	12.0
210.10504	6.6
211.11166	8.7
213.12700	12.1
215.10771	7.6
215.14343	18.3
223.11168	24.0
225.12769	22.3
231.10196	14.8
235.11072	11.7
237.12718	10.9
237.16530	5.9
241.12216	23.2
241.16010	9.5
243.13850	8.3
247.14809	6.6
251.14380	16.5
253.12369	9.6
265.15878	27.9
267.78436	5.4
281.15308	7.9
283.13834	8.7
283.16940	32.2
293.15302	39.0
297.48349	5.8
301.12598	7.5
311.16409	100.0
311.24023	6.4
329.17499	59.1
347.12799	16.7
347.16794	80.2
348.10812	10.8
364.13193	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	347.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57800	1.0
56.62917	0.8
57.07056	1.4
63.62884	1.1
69.07060	1.3
69.92081	2.0
69.92485	4.2
71.05019	1.2
71.08659	1.0
81.07077	2.4
83.04961	1.2
88.07620	2.3
91.05498	1.7
93.07034	1.9
95.08585	1.8
98.21355	1.5
105.07018	1.3
107.08569	1.7
111.04417	1.2
119.08534	1.2
123.11749	1.2
133.61209	1.0
135.08064	2.3
140.92598	1.1
159.86653	1.0
177.12883	1.2
193.05023	1.0
235.13019	1.2
262.59964	1.0
299.31284	2.9
347.21930	100.0
347.33194	8.8
348.22330	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	347.1672
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
53.38012	0.3
56.90651	0.3
59.39315	0.3
67.47210	0.4
68.94197	0.3
70.01834	0.8
70.02230	0.9
81.07058	0.5
84.26720	0.3
88.17274	0.4
93.07044	1.5
95.08566	0.4
98.20748	0.7
105.07017	0.5
108.84653	0.3
121.10134	1.4
142.08192	0.4
153.01842	0.4
167.10779	0.4
179.83310	0.4
185.11571	1.8
185.12938	0.4
311.51947	0.4
319.04364	0.4
330.03333	1.1
347.16742	100.0
348.16989	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1851
Annotation	Laxiflorin A
Peak:m/z	Relative Intensity
55.05505	9.5
57.03444	3.9
60.11084	2.7
65.03934	3.0
67.05505	20.6
69.03428	71.5
69.07050	8.7
70.06573	4.0
70.60727	6.4
79.05487	22.0
81.07056	35.1
83.04972	11.0
85.02894	10.3
87.04473	5.2
91.05489	35.8
93.07047	20.1
95.04990	17.0
95.08603	20.4
97.02927	3.5
97.06523	8.2
105.07037	30.2
107.04913	11.8
107.08590	28.5
109.02866	3.5
109.06516	23.7
109.10126	21.6
111.04443	5.6
112.36888	3.1
115.03914	6.2
115.05491	3.3
116.06199	4.2
117.07035	16.6
119.04972	5.9
119.08583	74.0
121.06518	22.3
121.10181	8.4
123.04426	13.9
123.08061	13.1
123.11648	3.8
126.09180	4.3
128.06226	6.3
129.06996	10.6
131.08566	17.4
133.02803	4.7
133.06490	10.5
133.10103	15.4
135.04422	12.4
135.08072	20.1
137.05974	8.8
137.09602	23.7
139.03891	21.6
139.07530	3.8
142.07806	4.7
143.08557	19.2
145.06491	9.4
145.10118	12.8
147.04420	5.1
147.08044	14.4
147.11751	4.4
149.09612	13.0
150.05536	5.0
151.03874	4.3
151.07535	10.6
153.01840	7.3
155.08548	12.3
156.09378	7.3
157.10133	16.8
159.08054	27.6
159.11719	8.2
161.05992	11.3
161.09598	26.0
162.05418	4.2
163.03865	9.5
163.07568	4.7
163.11215	4.0
165.06970	7.0
165.09158	4.5
167.07106	6.5
167.08485	7.2
168.06508	5.0
168.10176	6.8
169.08728	3.2
169.10181	12.6
171.08067	9.1
171.11688	4.6
173.09590	18.0
173.13370	3.2
175.07516	3.9
175.11188	4.8
177.09109	14.4
179.08470	8.7
180.06645	18.2
180.09299	8.0
181.06621	3.4
181.10114	11.2
182.10925	4.5
183.08063	8.1
183.11678	7.0
185.08095	4.4
185.09680	12.7
185.13078	5.9
187.07544	4.7
187.11153	14.8
189.09093	5.0
189.12704	3.8
191.07085	4.6
192.09344	5.2
192.44443	4.0
193.08563	5.3
193.10136	10.7
194.10840	5.1
195.08023	6.5
195.11693	20.7
197.09612	11.1
197.13243	17.0
199.11174	11.3
203.10683	9.1
205.08583	8.2
207.11696	10.1
209.09647	10.4
209.13193	7.0
210.10454	6.8
211.11118	8.3
213.08923	4.2
213.12726	14.2
215.10783	6.3
215.14331	15.1
217.10051	4.8
217.99637	3.6
223.11279	18.2
223.14859	5.9
224.11845	5.7
225.12761	18.5
227.10774	7.5
227.14278	7.8
231.10135	9.5
235.11111	7.1
236.11917	3.7
237.12906	6.9
241.12245	19.8
241.15837	6.3
242.12646	4.3
243.13718	9.8
247.14778	4.6
251.14285	9.0
253.12279	5.7
255.17322	5.1
259.13354	5.9
263.14343	5.0
265.15930	22.4
269.15503	5.8
275.14209	4.1
281.15262	6.7
283.16891	31.2
293.15405	31.7
301.17908	6.1
311.16400	100.0
329.17459	46.1
347.12863	13.8
347.17111	37.4
348.10886	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	347.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84642	1.3
79.18178	0.4
102.46612	0.4
125.02367	0.4
127.03859	0.4
134.15756	0.4
139.03955	0.5
153.01862	0.5
173.02960	0.5
185.04308	11.2
185.07841	100.0
186.08217	2.4
200.92416	0.4
221.05003	3.1
226.10391	0.5
257.08331	0.4
275.09738	2.9
303.09305	1.1
321.10257	1.8
347.13098	19.0
347.17252	1.1
348.13370	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1311
Annotation	Nordercitin
Peak:m/z	Relative Intensity
54.16440	0.5
54.74598	0.6
55.01891	1.0
57.03408	0.7
61.02915	1.1
69.03419	2.7
69.83047	0.6
71.60001	1.0
79.05464	0.6
81.03410	0.9
81.07076	0.8
85.02888	5.4
91.05467	1.6
95.04955	1.3
97.02876	2.0
99.04412	0.7
107.08611	0.8
118.06522	0.7
119.04967	1.1
123.04433	5.7
125.05984	1.1
127.03925	1.3
137.05946	0.8
138.05460	0.5
139.03883	3.2
145.04962	0.8
147.04414	0.9
148.07570	0.6
149.02307	0.9
149.07872	0.8
151.03951	0.9
151.07533	10.4
153.01862	0.7
153.06935	0.9
154.04955	2.1
155.03386	1.0
162.05554	0.8
163.03940	0.7
164.07132	0.6
165.05478	1.2
166.05029	1.2
167.06862	2.5
167.08325	0.8
167.10686	1.5
169.08612	0.8
177.05496	0.9
178.04997	0.8
180.06572	1.2
183.08049	0.6
185.04219	2.2
185.07870	8.9
185.11765	0.6
192.08911	0.8
195.02921	1.2
196.06093	1.4
196.08424	0.7
203.05219	7.6
208.06122	1.1
218.65892	0.6
258.08932	1.0
272.10379	1.9
273.11185	0.9
284.09940	1.3
285.12994	3.9
301.07034	1.6
301.12543	61.5
302.12918	2.1
311.16293	0.9
347.13092	100.0
348.09937	0.8
348.14087	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.5
55.01874	5.9
55.05511	26.5
56.96564	5.4
57.03426	6.1
57.07064	3.3
59.04997	3.4
60.50497	2.3
62.08371	2.2
67.05503	71.1
68.05824	2.3
69.03419	7.9
69.07064	28.1
69.82761	10.1
69.83173	4.5
70.07353	2.1
71.04993	3.8
71.61886	2.2
79.05489	28.5
80.24397	2.4
81.03407	4.9
81.07052	57.2
82.07404	2.8
83.04964	9.0
83.08614	17.3
83.75151	2.4
85.02916	3.1
85.06525	6.9
91.05479	20.1
93.07033	32.3
95.04961	9.4
95.08600	31.0
97.02853	3.5
97.06531	8.8
97.10149	18.0
98.97594	3.6
99.08080	3.6
105.07030	30.9
107.04976	3.8
107.08585	38.0
109.06498	4.8
109.10149	60.4
111.04333	2.0
111.08078	5.4
117.07000	6.6
119.08579	18.8
121.06487	3.6
121.10133	13.6
123.08060	3.0
123.11711	6.4
125.09623	15.1
129.07010	2.4
131.08574	8.9
133.10135	15.2
135.08049	4.7
135.11670	8.8
137.05988	5.0
137.09601	6.4
145.10117	9.4
147.11690	9.8
149.09630	8.3
149.13242	14.9
153.01845	2.8
155.10603	10.5
157.10109	4.2
159.11681	12.2
160.64296	2.2
161.05914	4.0
161.13245	3.6
163.11157	5.2
165.09061	2.7
171.10078	2.1
171.11690	3.5
173.11736	100.0
173.13103	4.8
174.12102	3.1
177.12791	3.8
189.11250	20.6
191.07057	2.9
192.07426	2.0
195.13766	34.3
201.12680	2.3
208.78799	2.3
213.14822	25.7
213.16534	3.4
243.02478	3.9
257.18985	7.7
264.14716	2.7
275.20041	57.6
276.20190	4.3
286.04361	4.5
287.15964	2.4
288.02072	3.3
293.21127	14.3
314.03839	15.0
314.10901	4.4
316.01642	10.4
325.14807	2.6
328.16260	9.1
331.03995	16.4
346.06400	50.3
346.13712	6.9
347.06601	4.9
347.18277	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	346.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01861	1.6
56.05032	18.7
56.96562	3.0
57.03427	3.0
59.04980	0.7
61.02922	5.4
63.09367	0.6
64.23805	0.6
65.63821	0.6
67.05492	1.1
68.05002	0.7
69.03423	9.4
70.06567	1.9
70.91058	1.8
71.01327	1.2
71.04980	1.6
72.08118	0.7
73.02906	2.8
74.06059	0.7
77.97724	0.5
79.05492	1.0
81.03411	3.9
83.04980	1.4
84.04477	0.6
84.08102	1.2
84.96030	0.7
85.02897	18.4
86.03240	1.1
87.04469	2.8
91.03950	0.9
93.07015	1.0
94.06550	0.9
95.04947	0.9
96.00819	0.6
96.08112	1.9
97.02373	0.6
97.02893	10.5
98.06030	0.7
98.97573	5.1
99.04429	2.0
100.03984	0.8
101.02339	0.9
103.05478	0.6
106.02832	0.8
106.06516	0.8
108.08123	4.3
109.02827	1.7
109.08910	1.3
110.09702	3.1
110.97539	0.8
111.04434	2.7
112.99132	2.2
113.03475	2.6
116.98604	3.3
119.01900	1.2
120.08099	2.2
121.06490	0.7
122.06016	1.0
123.06798	2.0
124.07543	2.1
125.03471	2.9
127.03911	5.5
128.04242	0.7
128.98625	1.6
129.05452	0.9
131.00148	3.3
131.01872	0.9
133.01631	0.6
134.06015	0.9
134.54263	0.6
136.07571	25.9
137.08359	24.1
138.05504	4.1
138.08141	0.9
138.09123	6.6
140.05002	0.7
142.04733	0.8
145.03415	1.0
145.04922	3.2
146.06636	0.6
146.99638	0.8
147.04944	0.8
148.03862	1.5
148.07562	19.4
149.01210	1.8
149.04340	0.7
149.05917	0.8
150.05489	1.6
150.09111	0.7
152.05872	0.9
152.07048	3.7
153.01830	2.8
153.07782	0.8
154.02158	1.6
154.08624	5.6
158.99635	1.9
161.01295	0.8
163.02806	0.8
166.04977	5.4
166.08627	76.4
167.05534	3.8
167.06955	4.2
167.08943	2.1
168.06459	1.0
168.07690	3.0
169.04413	1.2
170.99596	0.9
171.04976	0.8
172.61012	0.6
173.01248	1.6
173.02960	1.1
175.02745	1.6
177.00671	1.7
178.04915	7.1
182.08086	2.1
182.09412	2.0
184.05896	26.3
184.08386	2.6
184.09677	70.7
184.36488	0.7
185.02887	1.0
185.09981	1.7
189.00710	0.9
190.05804	0.8
191.02211	0.8
193.03857	1.4
197.05499	3.6
200.07625	1.2
201.00645	0.8
206.04359	2.8
210.08937	5.6
211.04887	1.2
212.07086	1.3
212.57431	0.7
214.06117	0.9
214.08212	17.6
215.08473	0.7
219.01785	2.9
221.05046	1.7
226.05304	0.6
237.02744	4.8
242.02937	0.8
250.07220	0.9
256.06940	1.0
265.07599	11.8
265.57718	2.5
266.08176	1.4
273.10098	0.8
278.06567	0.8
279.09219	1.4
293.05472	0.9
316.08719	9.5
316.13889	3.7
317.08975	0.9
328.09967	1.2
328.13965	1.8
334.09680	0.8
337.08072	0.9
346.10724	23.7
346.14908	100.0
346.60315	3.3
347.07199	2.7
347.10971	1.6
347.15021	6.2
355.09113	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.7
57.03421	6.8
60.04525	11.8
61.02930	9.1
69.03421	17.3
69.07053	1.7
70.06599	2.0
71.04975	2.1
71.53211	2.4
73.02893	3.3
79.05485	3.9
81.03395	8.6
81.07030	2.2
84.04484	1.3
85.02899	100.0
86.03237	1.3
86.09705	2.5
87.04440	1.8
91.03948	6.0
91.05471	2.0
93.07007	1.8
97.02886	25.3
99.04428	4.3
103.05447	9.0
107.04945	3.7
109.02873	13.0
111.04443	1.5
111.08043	1.2
121.06499	74.3
122.06847	1.6
123.04454	1.3
125.05994	3.3
126.03127	2.5
127.03083	1.8
127.03918	21.4
131.04893	3.0
139.03915	1.4
139.07504	3.6
141.05437	16.1
145.04953	40.8
149.05960	4.3
153.05434	5.7
154.06235	3.0
163.05997	11.8
167.07011	14.2
169.04953	57.5
170.05582	2.5
183.85933	1.4
184.07297	61.6
184.09708	2.5
185.08107	10.5
217.14949	1.1
328.24695	2.2
329.12164	1.4
346.25769	11.8
354.88956	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43348	1.0
50.45372	1.1
53.03950	1.8
53.31015	1.0
54.92223	1.0
55.01872	3.2
57.03423	5.6
60.04534	7.2
61.02925	10.9
68.21781	1.1
69.03424	18.6
70.06593	2.6
71.04986	1.4
71.50104	2.5
73.02903	3.5
74.15240	1.1
79.05498	4.5
81.03402	7.4
84.04468	1.1
85.02901	100.0
86.09716	2.8
87.04465	4.0
91.03974	5.4
91.05453	2.7
93.07027	2.7
97.02887	26.0
99.04430	5.7
103.05453	10.2
107.04957	3.9
109.02875	14.4
110.03661	2.1
111.04421	1.3
119.27281	1.1
121.06498	82.0
122.06863	1.6
123.04483	1.3
123.08102	1.0
124.07591	2.0
125.05986	5.3
126.03148	4.2
126.99503	1.2
127.03909	24.8
129.00552	1.0
131.04935	2.9
139.07532	4.5
141.05453	24.8
145.04948	52.6
149.06024	3.4
153.01718	1.2
153.05450	9.7
154.06244	3.2
162.09230	1.7
163.06024	12.8
167.07013	14.7
169.04958	93.6
170.05649	6.1
180.08777	1.7
184.07301	82.3
184.09734	3.4
185.08075	20.6
200.16745	1.1
329.12103	1.8
346.06451	2.4
346.13962	1.3
346.25830	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	345.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78536	1.3
53.03944	1.3
55.05512	6.6
56.96552	1.4
57.07068	3.0
66.92451	1.2
67.05505	10.9
69.03415	4.4
69.07062	11.6
70.04121	6.8
71.04971	1.5
79.05482	5.7
81.07052	28.4
83.04973	2.1
83.08605	6.2
85.06539	1.8
91.05479	5.9
93.07041	12.8
95.04946	3.8
95.08600	27.8
97.06499	1.7
97.10175	2.9
98.20721	1.2
105.06999	8.6
107.04961	1.4
107.08594	11.7
109.06503	1.7
109.10147	15.5
111.08080	1.3
111.11691	3.0
115.05420	2.3
116.98624	1.3
117.07056	1.9
119.08561	5.4
121.10150	7.0
123.08060	2.0
123.11723	8.0
127.03860	1.4
128.61414	1.4
131.04907	2.2
131.08556	2.9
133.10098	4.9
135.08015	3.1
135.11702	4.5
137.05977	4.3
137.13249	2.8
145.06479	2.4
145.10062	3.2
147.08017	1.6
147.11684	2.8
149.09610	1.9
149.13237	6.8
151.14767	1.3
153.01834	1.7
155.04965	1.1
155.08530	1.4
159.08037	3.6
159.11710	2.7
161.13246	1.7
163.07545	1.6
163.14844	2.9
163.54507	1.3
165.07031	3.5
165.09123	1.6
167.08614	1.2
169.06557	1.4
169.10146	2.4
170.25047	1.2
171.07954	1.9
173.06036	1.3
173.09668	2.0
177.16412	2.1
179.08516	1.3
181.06647	1.6
181.10052	2.5
183.08002	1.8
183.11642	1.8
184.08858	1.8
185.82195	1.0
187.11125	2.1
191.07042	2.9
193.10136	2.1
195.11717	1.4
197.09564	3.3
199.03940	2.0
201.05440	4.0
203.03406	1.5
205.10204	2.1
209.09557	2.5
211.07640	1.7
211.11134	1.3
214.02652	2.5
219.11429	1.5
220.08829	1.3
221.09692	2.2
221.13075	1.8
223.11179	3.2
225.09109	1.5
229.04892	3.7
231.02841	4.0
233.09579	7.8
234.10497	2.4
235.11143	1.5
235.14789	2.0
239.10742	1.8
241.01317	2.7
242.02150	4.6
243.02811	1.5
248.11964	4.2
259.02414	3.8
263.14285	4.1
265.15500	1.5
267.10196	2.3
269.00748	1.6
270.01572	3.3
271.02347	2.0
273.25604	2.3
276.11371	3.6
281.15421	3.3
285.04013	9.1
285.11115	1.9
286.04407	1.9
287.01941	7.4
291.13715	2.0
291.26675	3.0
297.00076	1.6
299.09317	2.1
301.03421	2.1
309.14859	4.2
309.28085	1.4
312.02676	1.7
313.03384	37.1
313.10748	4.0
314.03955	6.4
315.01315	21.8
316.01852	2.8
327.12680	1.5
327.15878	37.9
328.16248	4.9
329.02881	2.8
330.03693	31.8
331.03958	3.9
345.06027	100.0
345.13110	6.3
345.16879	13.0
345.20697	2.1
345.23932	1.4
345.27734	2.3
346.06421	12.5
346.13501	1.9
346.20157	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.05510	26.5
57.03442	3.5
57.07067	8.6
67.05503	37.9
69.07063	46.3
70.05602	3.8
70.06022	10.2
71.04975	5.1
71.08617	4.1
79.05489	17.0
79.77449	2.7
81.07054	100.0
83.08618	20.4
85.06536	6.9
85.10173	3.6
91.05465	10.1
93.07043	42.1
95.04946	9.0
95.08607	97.6
96.08868	2.4
97.06498	5.0
97.10169	19.2
99.08089	4.1
102.16370	2.6
105.07024	16.2
106.40192	2.8
107.08587	39.6
109.10149	49.6
111.08074	4.5
111.11723	8.5
119.08604	12.7
121.10126	21.6
123.08040	2.7
123.11692	26.9
125.09622	3.4
125.13214	4.3
133.10106	5.6
135.11673	18.0
137.06004	5.9
137.13252	11.6
139.11166	4.4
145.10066	3.6
147.11649	5.8
149.13237	25.2
151.14861	3.5
157.45189	2.5
161.13254	5.4
163.14789	13.4
177.16423	4.3
189.16350	2.9
191.07132	5.1
195.08037	3.6
208.42200	2.4
211.11240	2.7
229.05032	3.2
231.02907	3.6
248.12012	3.6
263.14551	2.4
264.06274	2.4
270.01642	2.8
272.44778	3.0
273.25748	7.9
273.38391	3.0
279.26797	4.1
285.04004	4.9
287.01904	4.7
291.26758	15.6
299.01779	4.4
301.03482	3.3
309.27740	5.2
313.03360	21.3
313.10690	8.0
314.03833	5.7
315.01236	13.4
327.15936	23.0
327.23273	3.0
330.03757	18.1
345.06061	81.4
345.12869	4.7
345.16821	6.9
346.06323	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	345.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.05507	28.7
57.03421	1.5
57.07062	9.2
61.20879	1.4
65.03899	1.5
67.05501	43.0
69.03415	1.8
69.07063	44.6
71.04987	3.4
71.08620	3.5
79.05486	20.2
81.07053	100.0
83.08617	21.4
85.06515	5.2
85.10181	2.5
91.05472	7.4
93.07034	36.7
95.04959	5.5
95.08601	95.4
96.08926	2.3
97.06519	5.1
97.10153	18.6
98.21539	2.3
99.08071	2.4
99.09509	1.5
105.07030	18.6
106.06221	1.5
107.08583	36.5
109.06532	2.6
109.10152	49.4
111.08088	4.3
111.11735	7.7
117.07063	1.8
119.08562	12.0
121.10143	25.6
123.11700	27.2
125.09638	3.2
125.13278	1.8
131.04915	3.1
131.08507	1.7
133.10088	6.9
135.11678	19.0
137.09610	2.0
137.12315	1.6
137.13193	8.7
139.11089	2.5
139.31198	1.6
145.10112	1.6
147.08168	2.2
147.11694	8.7
149.13257	24.4
151.14836	4.8
153.12743	2.0
161.13199	6.9
163.14793	10.2
165.12772	2.8
165.16316	2.8
165.17828	1.3
173.11813	2.6
175.14830	2.4
177.16328	4.4
179.17886	2.6
189.16316	1.9
191.06940	2.3
191.17928	3.6
198.40117	1.7
203.17917	3.1
217.19376	2.0
229.14751	2.2
261.25739	4.5
265.25302	2.8
273.25763	7.7
279.26822	5.5
285.03818	3.6
285.11316	1.6
287.01764	2.1
291.26859	12.9
297.27945	2.2
309.27942	7.0
313.03470	10.1
313.10721	4.8
315.01297	5.5
327.15854	5.8
330.03558	10.2
345.06107	31.9
345.13217	5.7
345.17007	2.7
345.24411	1.7
346.06268	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
55.05509	12.0
57.03432	1.8
57.07062	3.8
64.85867	1.0
67.05499	19.6
69.03416	2.4
69.07065	19.6
70.59949	3.3
71.04979	3.3
71.08617	1.5
79.05482	10.8
81.03408	1.0
81.07054	42.2
83.04954	1.2
83.08620	9.9
85.02912	1.5
85.06524	2.4
91.05473	8.4
93.07047	17.9
94.04777	0.8
95.04948	3.5
95.08604	34.0
97.02869	1.1
97.06497	1.8
97.10173	7.1
99.08090	1.4
103.05487	1.7
105.07039	7.0
107.04945	1.8
107.08596	13.5
109.02837	0.9
109.06508	2.6
109.10148	19.5
111.04433	2.5
111.08092	1.4
111.11743	4.5
117.07045	1.5
119.08557	5.9
121.06524	1.1
121.10148	9.6
123.04416	3.2
123.08027	1.2
123.11712	11.7
125.09648	1.4
125.13261	1.0
129.15060	0.9
130.04155	1.0
131.04901	4.8
131.08511	1.0
133.06483	1.3
133.10153	5.1
134.63820	0.9
135.11702	7.3
137.05939	4.9
137.09610	1.5
137.13246	4.1
139.03838	1.9
139.11035	1.2
143.01927	1.0
145.06465	1.8
145.10146	1.4
147.04410	3.3
147.11688	4.0
149.13249	6.2
151.03903	2.2
151.07504	2.0
151.11214	1.2
151.14731	1.2
151.80632	0.8
153.01834	3.1
157.10022	0.8
159.08022	1.0
161.02960	1.9
161.05983	2.1
161.13249	3.2
163.07545	1.0
163.14818	3.3
165.05504	2.9
165.06874	1.1
165.12798	1.1
167.08583	1.0
169.10149	0.8
173.05969	1.3
175.03877	1.9
175.14798	1.8
177.05377	0.9
177.16437	1.9
178.07706	1.3
179.08536	1.3
183.04431	1.2
184.04686	1.0
186.03067	1.3
191.07068	4.1
191.17976	1.6
192.07603	0.9
193.05016	1.8
193.08615	2.2
195.08040	1.1
197.09477	1.2
199.03915	1.6
201.05562	2.1
203.17928	1.0
210.06772	1.5
211.07526	1.1
214.02585	1.7
217.19534	1.7
218.75415	0.9
221.05589	0.9
221.09645	1.0
225.09105	1.2
227.06993	1.4
228.04243	1.8
229.04936	3.1
231.02919	3.8
233.09767	2.2
235.20480	1.6
239.07048	1.4
241.01311	1.8
241.08719	1.1
242.02135	5.3
243.06473	1.1
250.15883	1.4
253.08502	1.6
256.03671	1.1
256.15982	2.6
257.04123	1.5
259.02319	2.6
261.25763	1.5
265.16479	5.6
267.10159	2.6
268.07437	1.3
269.00717	2.8
269.08124	2.0
270.01593	2.9
270.08774	1.1
271.02118	1.2
273.25708	1.9
284.03207	1.5
285.03909	11.4
285.11285	1.0
286.01263	1.2
286.04294	2.0
287.01929	7.2
291.26730	4.3
296.10126	1.5
297.27777	1.5
299.01871	1.7
299.09390	4.4
299.12366	1.3
301.03256	1.2
309.24182	1.3
309.27682	2.6
312.02615	2.3
313.03384	36.8
313.10614	5.9
314.03827	5.1
314.11566	1.3
315.01315	23.1
316.01782	2.2
327.08804	1.2
327.12198	2.7
327.15952	11.6
327.25339	3.4
328.16202	1.3
329.02960	3.3
330.03665	35.0
331.04083	3.2
345.06039	100.0
345.13184	9.1
345.17545	2.9
345.26678	1.8
346.06403	11.1
346.13742	1.1
358.14523	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2398
Annotation	Testosterone_Propionate
Peak:m/z	Relative Intensity
51.59686	0.3
55.05503	0.3
55.56114	0.3
56.96542	0.4
69.03404	1.0
69.90158	1.8
79.05489	0.4
81.07063	0.6
81.91033	0.3
88.07640	0.4
91.05456	0.6
93.07034	0.5
95.04967	0.4
95.08588	0.9
105.07005	0.7
107.08581	0.6
109.10147	0.5
117.06963	0.4
119.08527	0.7
121.10149	0.5
131.08556	0.4
132.10139	0.4
133.10103	0.4
135.08032	0.5
137.06023	0.3
147.11639	0.4
151.07475	0.4
159.08072	0.8
161.09621	0.3
165.06990	0.4
169.10049	0.5
181.10126	0.6
183.39876	0.3
184.08853	0.5
186.03125	0.4
187.17216	0.3
191.06900	0.3
193.10187	0.6
195.08009	0.4
199.16879	0.3
201.05611	0.3
202.15836	0.3
209.09573	0.8
211.11017	0.3
214.02573	0.4
221.09581	0.4
229.04912	0.5
231.02884	0.7
233.09550	1.4
234.10599	0.3
235.14859	0.4
242.02026	0.7
248.11914	0.9
249.09311	0.3
253.12038	0.4
258.95041	0.3
259.02386	0.4
261.08875	0.3
263.14362	0.7
281.15372	0.4
285.03937	1.1
287.01889	0.8
291.13824	0.5
309.14865	0.9
312.02594	0.4
313.03418	5.0
314.03842	0.6
315.01300	3.1
327.15900	7.2
327.22903	0.4
328.16333	0.5
329.02832	0.8
330.03644	3.4
331.04086	0.4
345.06058	14.2
345.17029	3.7
345.23987	100.0
346.06540	1.7
346.24316	3.8
346.32999	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2397
Annotation	Testosterone_Propionate
Peak:m/z	Relative Intensity
57.07082	0.3
59.41354	0.3
69.07034	0.3
70.87009	0.3
70.87331	0.6
80.49165	0.3
87.04460	0.5
109.75204	0.2
141.06981	0.3
176.90198	0.2
183.44826	0.3
284.29416	0.5
285.03766	0.3
285.29816	0.4
313.03320	0.8
315.01453	0.6
327.15802	1.7
330.03751	1.0
345.05957	3.0
345.23975	100.0
346.06650	0.5
346.24432	2.8
346.33112	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.3
53.75653	0.6
55.01862	1.5
55.05256	1.1
55.05504	12.0
56.96561	0.6
57.03422	2.0
57.07067	4.6
61.67292	0.8
65.03910	0.8
67.05501	17.5
69.03419	4.0
69.07059	21.2
69.53088	5.4
71.04969	2.5
71.08603	0.8
79.05135	0.7
79.05489	9.5
81.03408	1.6
81.07050	43.0
82.07393	1.1
83.04958	2.3
83.08150	0.7
83.08614	10.9
85.02876	2.1
85.06535	3.8
85.10162	1.3
91.05470	7.0
93.07040	17.2
95.04948	3.2
95.08598	38.1
97.02831	1.1
97.06506	1.9
97.10165	8.8
98.97542	0.7
99.08070	1.8
103.05451	1.4
105.07030	8.8
107.04942	1.5
107.08585	13.3
107.84408	0.7
109.02869	1.0
109.06507	1.4
109.10148	17.9
111.04443	1.5
111.08067	3.0
111.11709	3.7
115.05484	1.3
117.06995	1.9
119.01905	1.2
119.08558	6.1
121.10143	9.1
123.04423	1.5
123.08018	0.9
123.11697	10.6
124.05099	0.7
125.09612	1.8
128.06296	0.8
129.06989	1.8
131.04903	2.5
131.08542	1.8
133.06503	1.3
133.10106	3.0
135.08038	0.9
135.11673	8.3
137.05991	4.0
137.09599	1.9
137.13235	3.2
139.03914	0.9
139.11192	1.2
141.06927	0.8
143.01924	0.8
143.08571	1.1
145.06441	1.1
145.10123	2.0
147.04367	2.6
147.11655	2.6
149.09541	1.0
149.13239	10.3
151.03906	1.9
151.14809	3.0
153.01810	2.4
153.07031	0.8
155.08522	1.0
157.10141	0.9
159.04399	1.0
159.08067	1.6
159.11728	1.7
161.02956	2.3
161.05951	1.1
161.09557	0.8
161.13188	2.2
163.03859	1.0
163.11218	0.8
163.14799	4.6
165.05467	2.0
165.06946	1.7
165.12685	1.2
165.16405	1.1
166.07765	0.8
167.07037	1.7
169.06541	0.9
173.05968	1.5
175.03860	1.3
175.07590	1.2
175.14871	1.2
177.16353	2.7
179.08463	0.9
179.17921	1.8
181.06432	1.0
181.10077	1.1
183.08110	1.3
184.08876	1.2
185.05959	1.1
186.03113	0.7
187.07532	0.9
189.16344	1.3
191.06989	5.3
191.17917	0.9
193.04933	0.7
193.08563	0.8
193.10094	1.2
195.08061	1.6
195.11562	1.0
195.90193	0.7
196.08801	1.1
197.05904	0.8
197.09535	1.4
198.06808	0.7
199.03975	1.2
201.05461	2.1
203.03445	1.3
203.17992	1.3
205.10144	1.1
206.07179	1.0
207.07956	1.0
209.09572	1.3
210.06746	1.6
211.07567	1.4
214.02516	1.9
217.19560	1.4
223.07518	1.0
224.08406	1.0
225.09070	1.4
226.06322	0.8
227.03156	1.0
227.07040	1.1
228.04243	1.3
229.04906	3.1
231.02875	2.3
233.09576	2.1
235.20441	0.9
238.06346	1.0
239.07053	1.6
239.10701	1.7
240.07559	0.9
241.01350	1.4
242.02022	5.4
247.05968	0.8
248.12079	1.4
251.07051	0.8
253.08629	1.9
253.21593	1.1
256.03665	1.3
256.07300	0.9
256.15964	2.6
257.04440	1.0
259.02414	2.4
261.25723	0.8
263.14282	1.4
265.16501	5.7
267.10144	3.0
269.00897	1.9
269.08020	1.4
270.01578	3.1
271.02356	2.0
273.25687	2.8
274.04666	1.0
279.26907	2.1
281.07919	0.9
284.10471	1.0
285.03915	9.4
285.11066	2.4
286.01340	1.0
286.04425	1.9
286.16983	1.0
287.01837	8.2
291.13766	1.0
291.26849	5.1
295.09583	1.3
299.01880	1.5
299.09119	4.3
299.12354	1.3
300.09314	0.9
301.03378	2.0
309.14731	1.0
309.27875	2.9
312.02576	2.0
313.03381	32.1
313.10596	9.1
314.03830	5.8
314.11298	1.6
315.01309	22.1
316.01736	3.1
327.08542	1.3
327.12219	3.2
327.15906	12.5
327.25241	2.4
328.12683	1.0
328.16135	1.8
329.02823	3.6
330.03659	33.5
331.04062	3.6
345.06027	100.0
345.13126	8.6
345.17148	3.7
345.19931	2.5
346.06396	10.7
346.13376	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.01867	0.5
55.05500	1.3
57.03411	0.7
57.07059	1.3
59.04999	0.4
61.02911	0.6
65.03920	0.5
65.27344	0.3
67.05507	1.8
69.03429	10.2
69.03804	0.5
69.07066	9.3
70.75951	1.3
71.04970	1.0
71.08646	0.6
79.05492	2.2
81.03403	1.3
81.07056	16.1
83.04992	4.3
83.08614	0.5
85.02427	0.5
85.02905	7.8
85.06555	3.4
89.27644	0.3
91.05471	1.5
93.07034	1.4
95.04951	1.5
95.08611	3.6
97.02900	1.9
97.06565	1.8
97.07047	0.4
97.10164	0.3
99.04449	2.5
99.08090	11.3
105.07043	2.5
107.04958	0.4
107.08591	2.7
109.02859	1.8
109.06525	5.1
109.10149	2.1
111.04446	0.4
111.08064	1.0
113.06000	1.4
117.06972	0.7
119.08553	1.7
121.06490	0.6
121.10143	8.7
122.02737	0.6
123.04433	1.3
123.08070	2.5
123.11713	4.0
125.09615	7.5
127.03921	1.3
127.07558	2.9
131.04950	0.4
131.08588	0.8
131.45929	0.3
133.06439	0.4
133.10112	0.4
135.08046	1.3
135.11713	0.5
137.05960	1.1
137.09584	1.7
137.13226	1.1
139.03859	0.8
139.11177	7.5
143.08542	0.6
145.04919	1.1
145.06509	0.6
145.10139	0.7
146.07265	0.4
147.08044	1.5
147.11697	1.8
149.05994	0.6
149.09540	0.5
151.07570	0.7
153.01807	0.5
153.05397	0.4
157.10223	0.4
159.08051	2.6
159.11702	0.4
161.09584	1.0
163.07516	1.1
165.07014	0.6
165.09042	0.5
165.12756	4.7
167.07054	0.5
169.10141	0.4
171.11641	0.5
172.08833	0.4
173.09621	1.4
175.07524	1.1
177.09132	0.8
181.06377	0.4
181.10052	0.3
183.13805	100.0
184.14131	1.8
185.09596	1.1
186.10358	0.5
187.07550	0.6
187.11166	1.3
189.12709	0.6
191.06976	0.7
193.10094	0.7
195.11714	1.0
197.09637	0.8
199.07480	0.4
199.11227	0.7
199.26224	0.5
201.12825	0.4
203.10616	0.6
205.10175	0.5
205.12151	0.6
207.11690	0.6
209.09859	1.1
211.11252	2.0
213.12708	0.5
215.10629	0.5
223.11194	1.1
224.11795	0.6
225.09167	0.7
225.12743	0.6
229.08603	0.5
229.12254	1.5
233.09569	1.8
235.14690	0.6
239.10692	1.2
239.14240	0.5
241.12231	1.4
247.11273	0.6
248.11951	1.2
251.10616	0.8
253.15884	0.9
255.10078	0.4
255.13884	0.4
257.11792	1.1
263.14276	1.8
267.13849	0.5
269.11703	0.4
271.13193	0.4
276.11493	1.0
281.15393	3.3
287.01694	0.6
291.13788	1.5
299.16385	1.3
309.14929	2.9
313.03442	1.3
313.10632	0.7
315.01343	1.0
327.12296	0.7
327.15872	5.8
330.03656	1.2
345.06055	3.9
345.16949	3.2
346.06613	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.4
63.40529	1.3
67.05489	2.2
69.03432	2.0
69.07048	1.2
71.04987	1.3
71.59566	1.4
71.59937	1.4
79.05482	3.5
81.03426	1.3
81.07044	1.8
83.04972	1.2
85.02911	2.0
91.05479	3.4
93.07033	1.9
94.04209	2.9
94.96248	1.2
95.04954	3.2
95.08638	1.7
97.02921	1.3
103.05457	9.6
105.07026	6.8
107.04959	2.9
107.08592	2.4
109.02821	1.5
115.05444	1.4
119.08614	1.9
121.06522	2.1
121.10086	1.5
122.03634	8.2
123.04456	1.4
123.08036	1.6
129.06976	2.2
131.04935	10.7
133.06490	16.2
135.08087	8.4
137.05969	100.0
137.09569	2.0
138.06393	1.2
145.06503	2.9
151.07553	4.6
163.07526	27.4
165.09085	3.0
165.10243	3.0
165.12782	2.9
167.07062	1.3
171.78484	1.3
175.07655	2.3
177.09134	3.1
183.11411	1.6
189.09085	1.5
203.10760	1.3
234.92717	1.3
249.11238	1.2
256.07571	1.4
285.11197	2.0
295.09961	2.0
295.13269	3.4
313.03510	2.5
313.10690	4.7
327.15921	3.0
328.01761	1.7
330.03738	1.5
345.06253	6.8
345.13736	2.1
363.89426	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1693
Annotation	Caniojane
Peak:m/z	Relative Intensity
55.05491	3.5
57.57427	3.2
68.66237	3.1
69.03423	13.5
71.62286	4.0
79.05498	9.0
81.07041	5.5
91.05478	7.4
93.07024	5.9
95.04950	5.8
95.08579	4.5
105.07038	4.8
107.08591	4.6
109.06534	4.8
119.08579	7.6
120.15427	3.5
121.06499	3.9
123.08062	6.5
127.03740	2.9
128.06259	6.6
133.06558	3.1
133.10068	3.0
135.07999	3.8
141.07031	5.3
142.07838	3.5
145.10117	5.0
147.08023	3.5
155.08559	4.9
159.08061	11.2
163.07487	3.6
165.07007	4.7
166.07770	6.9
167.08519	4.4
171.08035	4.1
178.07841	3.7
179.08536	7.5
181.10091	9.0
183.08116	8.6
185.09659	4.8
193.10109	9.6
195.07993	6.0
195.11777	3.8
196.08783	4.4
197.09564	11.1
203.10400	3.6
205.10057	5.2
206.10890	5.7
207.11745	4.2
209.09567	15.2
211.11172	7.9
216.09236	4.1
219.08031	3.3
220.12483	6.7
221.09676	6.2
223.11150	9.2
225.12651	4.8
226.41739	3.0
233.09612	13.1
235.11151	7.6
235.14767	4.4
237.08961	4.0
237.73273	3.3
238.93588	3.0
239.10583	6.5
239.14427	3.5
247.11208	4.1
248.11935	7.7
249.12570	6.0
251.14322	8.6
261.09241	3.5
263.14413	9.2
267.10547	3.5
269.11697	5.1
279.13715	6.2
281.15372	11.1
291.13782	14.3
299.16357	4.2
309.14850	19.5
313.37372	3.9
327.15897	100.0
328.16055	4.9
345.06094	4.9
345.16925	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1696
Annotation	Laxiflorin B
Peak:m/z	Relative Intensity
50.48817	2.9
55.05521	6.2
60.36664	3.1
65.03944	3.6
67.05502	15.9
69.03425	62.3
69.80959	17.8
71.05006	5.1
74.57944	3.1
79.05505	14.3
81.06644	3.2
81.07060	14.8
81.60889	3.0
83.04977	13.8
85.02898	6.5
87.04473	7.1
91.05479	20.2
93.07061	12.1
95.04978	36.4
95.08606	21.4
97.02914	6.3
97.06510	3.1
99.04465	5.8
105.07009	26.0
107.04986	6.4
107.08555	15.3
109.02906	5.9
109.06522	18.3
109.10120	3.3
111.04481	3.3
115.03952	9.9
115.05469	4.3
117.07058	7.5
119.08574	19.3
121.06503	15.5
121.10149	5.4
123.04462	9.3
123.08073	23.5
128.06271	8.0
129.07042	13.5
131.08598	13.2
133.06520	7.7
133.10162	5.8
135.08037	15.4
136.69922	3.5
137.06010	10.4
139.03920	15.9
139.07570	5.1
141.07019	6.9
141.09146	7.3
142.07787	9.2
143.03317	5.8
143.08557	19.7
145.06522	7.7
145.10124	16.8
147.08047	21.9
147.11667	4.2
149.09631	5.8
151.07570	6.9
153.01826	75.9
153.02859	4.3
153.07004	5.8
154.07802	5.1
155.08543	22.7
156.09380	7.2
157.06464	4.6
157.10123	18.4
158.07285	5.8
159.08067	32.3
159.11714	6.3
160.08690	5.0
161.06027	6.3
161.09676	15.1
163.07550	7.8
165.07022	19.5
166.07784	6.7
167.08620	12.4
168.09358	6.7
169.10138	13.4
170.10947	4.0
171.08096	13.4
171.11736	5.6
172.08864	6.8
173.09615	33.6
174.10318	4.4
175.07558	6.9
175.11208	8.8
177.09203	8.9
178.07800	9.3
179.07042	17.0
179.08643	11.5
180.09291	17.4
181.06555	6.7
181.10124	15.9
182.10947	5.1
183.08003	11.8
183.11751	16.8
185.09625	23.3
185.13283	4.9
187.07594	8.2
187.11221	15.3
189.09122	9.8
192.09309	7.8
193.10141	19.4
194.10840	5.9
195.06474	3.2
195.08087	14.4
195.11681	30.3
196.08882	9.4
196.12473	4.0
197.09618	21.2
197.13301	9.1
198.10484	7.8
199.11258	14.2
201.09183	7.0
201.12859	3.3
203.10747	5.1
203.14284	5.6
205.10179	10.2
205.12134	7.1
206.10913	7.0
207.11734	13.9
208.08882	12.2
209.09610	21.0
209.13399	5.4
210.10425	11.1
211.11206	29.2
212.11740	3.6
213.09221	4.2
213.12671	23.2
215.08549	3.1
215.10703	7.8
219.08057	4.3
219.11755	4.4
220.12506	6.8
221.09668	8.9
221.13315	3.7
222.10374	8.8
223.11172	50.0
223.14751	6.7
224.11974	14.9
225.09235	6.7
225.12801	23.2
227.10703	8.6
229.12175	8.2
231.13899	8.9
233.09631	17.7
234.10591	4.5
235.11183	7.2
235.14870	13.5
236.12073	4.3
237.12859	7.7
239.10681	13.3
239.14331	11.8
241.12277	13.7
243.13799	5.1
245.13388	4.0
247.11244	4.5
248.11998	10.9
249.12840	6.1
251.10767	9.0
251.14325	6.1
252.11365	4.2
253.12323	11.6
253.15950	14.3
257.11722	4.8
263.14301	29.9
265.15884	4.4
267.10242	10.7
267.13846	10.6
269.11755	10.6
269.15604	3.6
271.17065	5.3
276.11359	5.9
279.13870	8.6
281.15369	57.8
287.12903	5.8
291.13641	18.9
297.15002	4.5
299.16476	16.9
309.14816	56.8
310.84903	3.4
313.03491	15.2
315.01456	7.4
327.15894	85.7
328.16385	4.9
330.03604	8.8
345.06027	41.1
345.12851	5.5
345.16971	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1693
Annotation	Caniojane
Peak:m/z	Relative Intensity
51.43660	0.8
53.03945	1.4
55.05500	1.0
58.33184	0.8
67.05505	2.3
69.03424	9.5
70.46066	0.9
71.05004	1.0
71.52258	2.1
76.64065	0.9
79.05493	2.6
81.07034	1.7
82.85740	1.0
91.05486	3.8
93.07042	3.2
95.04992	4.4
95.08608	1.2
105.07030	3.7
107.04966	1.1
107.08604	1.9
109.02835	1.1
109.06517	1.2
115.05449	0.9
117.07030	2.0
119.08571	2.9
121.06494	2.1
121.10146	1.2
124.60299	0.8
128.06197	2.7
129.06995	3.1
131.04779	0.9
131.08513	2.3
133.10121	1.4
135.08035	1.3
141.06961	2.6
142.07780	2.4
142.08836	0.8
143.08562	1.8
145.06488	3.2
145.10121	1.3
147.08116	2.2
147.31444	0.8
152.06247	1.1
153.06952	1.5
154.07845	0.9
155.08510	2.5
157.10121	1.6
159.08035	7.4
161.05931	0.9
165.07031	5.0
166.07774	3.3
167.08591	2.5
168.09380	1.8
169.06502	3.5
169.10132	2.7
170.07265	1.1
171.08009	1.7
172.08864	1.5
173.09628	2.2
173.77316	0.8
175.07520	1.0
178.07803	2.9
179.08469	4.4
180.09337	4.6
181.06598	1.1
181.10092	8.1
182.07295	1.0
183.08098	3.7
183.11688	1.7
184.08861	5.6
185.09592	3.2
187.11179	1.0
190.07721	1.8
191.08580	3.1
192.09363	1.9
193.10115	5.4
194.07162	1.0
194.10944	2.2
195.08119	4.0
195.11716	1.9
196.08852	3.1
197.09631	6.1
199.11172	1.3
201.09163	1.0
203.08571	1.4
203.10602	1.0
204.09293	1.4
205.10135	4.3
206.10912	3.2
207.08055	1.4
207.11682	3.1
208.08864	2.2
209.09645	10.0
209.13206	1.6
210.10309	1.4
211.11166	4.5
213.12762	0.9
215.08574	1.4
216.09337	1.1
217.10146	1.2
218.07414	0.9
218.10886	1.7
219.08072	3.3
219.11642	1.6
220.08904	2.0
220.12419	4.1
221.09564	6.9
221.13216	2.1
222.10321	2.9
223.11186	3.9
225.09149	1.6
225.12709	1.2
227.06818	0.8
230.10934	3.4
231.08159	1.6
231.11644	1.2
232.08891	2.0
233.09612	15.1
233.13281	2.1
234.06670	0.9
234.10350	4.6
235.07500	0.9
235.11160	5.0
235.14880	2.2
236.11893	1.8
237.09035	2.4
237.12906	1.0
238.13499	1.2
239.10728	3.9
245.09717	1.0
245.13213	2.4
246.10416	2.8
247.11183	3.7
248.11993	10.9
249.09105	2.5
249.12732	2.7
250.09833	1.5
251.10728	1.9
251.14415	4.3
253.12334	1.3
255.60072	0.9
258.10416	1.3
259.11264	1.3
261.09125	2.8
261.12723	1.7
263.11111	1.4
263.14276	10.3
264.11310	1.2
266.13037	0.9
267.10214	3.5
273.12836	1.8
276.11453	5.9
279.13733	3.3
281.15298	4.8
291.13779	8.9
309.14868	7.0
313.03400	1.8
315.01437	1.9
327.15894	100.0
328.16193	5.8
330.03699	1.6
345.05942	6.9
345.16962	36.1
346.06232	0.9
346.17361	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.169
Annotation	Caniojane
Peak:m/z	Relative Intensity
55.05487	5.8
56.96560	2.7
57.03395	2.8
57.07069	4.2
67.05482	3.1
69.03410	8.5
69.07050	6.4
71.60851	4.3
79.05468	7.4
81.07031	9.7
85.06525	3.8
91.05479	8.3
93.07019	7.3
95.04944	8.1
95.08591	9.5
104.99253	3.6
105.07021	13.2
107.08572	10.4
109.06504	7.4
109.10130	3.6
117.07008	3.9
119.08565	7.8
121.06467	4.2
121.10136	5.9
121.48714	2.7
123.08049	3.3
131.08553	6.2
133.10129	5.3
135.07965	3.8
137.09694	2.8
141.06944	3.4
143.08530	7.0
145.10078	8.0
147.08028	5.8
155.08557	4.2
157.10071	4.0
159.07997	8.1
159.11691	3.1
165.06914	3.9
167.08437	3.9
169.10085	4.6
171.11636	3.9
178.07729	3.2
179.08459	4.6
181.10114	6.8
182.07222	3.3
183.08063	2.6
184.08804	2.9
185.09531	3.6
193.10123	8.3
195.07997	3.1
195.11684	2.9
195.65395	3.0
196.08777	3.9
197.09573	4.1
201.05579	3.4
201.16452	3.0
207.11673	3.6
209.09622	8.2
210.10176	3.5
211.11166	5.0
220.12434	5.4
221.09550	5.3
223.11151	6.5
225.09149	4.2
231.02925	4.0
233.09593	14.7
234.10414	4.0
235.11118	4.9
242.02045	5.3
247.11259	5.0
248.11887	9.9
251.10703	4.2
251.14278	2.9
253.12230	2.8
253.15776	3.0
257.04355	2.7
263.14282	10.2
270.01663	4.1
276.11411	7.1
281.15353	4.5
285.03836	8.8
287.01755	5.9
291.13776	7.0
309.14896	9.5
313.03329	22.7
314.03802	3.2
315.01373	15.2
327.15872	100.0
327.19254	4.5
327.22952	4.6
328.16052	3.8
330.03598	22.4
345.05981	89.1
345.16949	37.5
345.23993	20.4
345.31161	6.4
346.06293	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	345.1695
Annotation	Laxiflorin B
Peak:m/z	Relative Intensity
53.03940	2.9
55.01878	2.2
55.05500	3.6
57.03437	1.5
59.05000	1.0
65.03941	1.4
66.15522	0.8
67.05499	5.4
68.99785	1.4
69.03426	24.4
69.07057	2.0
70.04099	1.2
70.04499	2.2
70.06577	1.1
71.04985	2.8
77.03962	0.7
79.05496	6.4
81.03417	1.1
81.07063	4.8
83.01336	1.7
83.04975	10.2
84.68313	0.7
85.02890	2.7
85.06536	1.4
86.09721	0.9
87.04430	2.0
91.05486	9.1
93.07041	6.3
95.04968	10.5
95.08603	4.9
97.02882	1.6
97.06544	2.4
99.04453	1.3
103.05480	1.7
105.07027	8.1
107.04958	5.5
107.08572	6.6
108.05274	0.8
109.02883	3.1
109.06525	7.5
109.10133	1.1
111.04446	1.7
111.08109	0.9
115.03930	1.3
115.05465	2.6
115.44812	0.7
116.06268	1.0
117.07020	5.0
119.08603	5.3
121.06496	6.2
121.10131	1.3
123.04430	2.4
123.08079	6.3
123.78613	0.8
125.06012	2.1
125.09666	1.7
128.06238	3.0
129.06993	5.1
130.07745	1.0
131.04974	0.8
131.08557	7.1
133.06500	3.4
133.10136	3.7
134.62260	0.8
135.04401	1.2
135.08060	7.3
137.05992	5.8
137.09656	1.8
139.03912	0.9
141.07005	5.0
141.09142	1.7
142.07790	3.8
143.08559	6.4
144.05728	1.2
145.06470	7.0
145.10155	3.4
146.07283	1.0
147.04477	1.0
147.08034	5.9
149.05994	2.6
149.09631	3.0
149.48312	0.8
151.03918	1.2
151.07552	2.4
152.06152	1.4
153.01863	1.5
153.06981	2.1
154.07793	2.0
155.08537	6.6
156.09406	1.5
157.06543	2.5
157.10135	3.7
158.07269	2.4
159.08057	15.5
159.11679	1.7
161.06039	3.1
161.09592	6.8
163.03934	1.1
163.07570	4.5
163.11208	1.9
164.08029	1.0
165.06989	8.1
165.09140	1.8
165.12813	1.3
166.07729	4.0
167.07150	1.7
167.08578	6.0
168.09300	1.9
169.06546	3.4
169.10100	5.3
170.07294	1.0
171.08058	5.6
171.11723	2.7
172.08817	2.6
173.05942	1.2
173.09637	5.6
174.06519	1.1
175.07530	4.2
175.11212	2.2
177.09074	5.5
178.07776	6.5
179.07047	2.9
179.08577	7.8
180.07906	0.8
180.09283	4.7
181.06526	3.5
181.10089	11.5
182.07291	2.8
182.10912	1.0
183.08038	7.2
183.10309	0.8
183.11734	3.1
183.13742	4.0
184.08838	4.9
185.05975	1.1
185.09584	6.4
186.10333	1.0
187.07549	5.5
187.11214	3.0
189.06993	1.1
189.09154	2.6
190.07726	1.4
191.07042	5.2
191.08661	4.3
192.07417	5.4
192.09377	3.4
193.08524	1.0
193.10112	13.1
194.07317	2.5
194.10913	3.0
195.06502	1.4
195.08070	8.4
195.09677	1.1
195.11681	5.6
196.08788	6.1
197.06001	0.9
197.09616	12.6
197.13354	1.8
198.10439	2.6
199.07530	1.5
199.11133	4.9
200.08360	0.9
201.09108	4.5
201.12750	1.3
202.07980	1.3
202.09894	3.1
203.08559	2.5
203.10727	5.9
203.14366	0.8
204.09415	1.5
205.08563	1.2
205.10196	7.8
206.07332	1.5
206.10880	5.2
207.06285	1.2
207.08084	3.5
207.11642	4.9
208.09607	4.2
209.09738	23.1
209.13300	3.1
210.10426	3.6
211.11145	11.4
212.11922	1.9
213.09152	1.9
213.12683	3.7
215.08662	2.2
215.10719	7.7
216.09373	1.2
217.10223	1.9
218.07483	1.5
218.10907	2.0
219.08136	4.9
219.11713	2.5
220.08897	2.4
220.12553	3.2
221.09627	12.8
221.13078	3.9
222.10361	5.1
223.07729	1.0
223.11185	11.3
223.14796	2.0
224.08424	1.3
224.11928	1.4
225.09108	3.9
225.12769	3.5
226.09927	2.2
227.10712	2.3
229.12219	1.3
230.10941	3.6
231.11996	1.0
231.13963	1.2
233.09593	14.7
233.13194	1.7
234.06783	1.1
234.10417	4.7
235.07573	1.3
235.11194	7.0
235.14754	3.9
236.08182	1.1
236.11943	6.4
237.09050	4.1
237.12816	3.3
238.09868	1.6
238.13512	1.5
239.10674	6.7
239.14487	3.6
241.12247	2.3
243.10138	1.2
245.13405	2.2
246.10364	2.4
247.11259	4.5
248.11984	13.1
249.09158	4.1
249.12793	4.3
250.13637	1.9
251.10713	4.8
251.14291	13.4
252.11475	2.1
253.08644	1.2
253.12236	3.0
253.15906	3.7
255.10251	1.4
257.11786	1.3
258.10324	1.1
261.09061	4.3
261.12878	1.4
262.09912	1.7
263.10654	1.5
263.11105	1.6
263.14334	18.2
264.11526	1.9
265.12271	2.4
266.12997	3.6
267.10172	6.5
267.13669	4.9
269.11758	2.0
269.15466	1.4
271.09616	1.0
273.13040	1.6
275.10770	1.4
276.11475	7.7
279.09799	0.7
279.10751	0.9
279.13773	6.5
281.15375	15.1
285.03839	1.2
285.11276	2.4
285.14536	1.2
289.12213	1.0
291.13803	14.8
291.16849	1.4
297.14893	1.5
299.16467	5.7
309.14828	33.3
309.18274	1.8
310.15189	1.7
313.03574	2.5
315.01331	2.0
324.11658	0.9
327.15900	100.0
328.16122	3.8
330.03796	2.4
345.06082	8.8
345.17017	69.6
346.17670	1.8
350.81473	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1694
Annotation	Laxiflorin B
Peak:m/z	Relative Intensity
53.03927	4.4
55.05507	4.5
57.03423	3.6
58.68298	2.8
67.05492	7.8
69.03429	37.9
69.80579	16.6
71.04993	5.7
79.05478	8.2
81.07060	7.1
83.04962	13.9
87.04443	8.0
91.05479	17.0
93.07033	6.5
95.04968	29.8
95.08604	25.9
97.06549	3.9
99.04402	4.1
105.07020	16.9
107.04951	4.0
107.08588	11.8
109.02856	4.1
109.06483	15.6
115.03949	7.2
115.05484	4.2
117.07007	8.4
119.08572	14.3
121.06492	8.8
123.08056	21.2
128.06177	4.4
129.06937	8.4
131.08559	10.7
133.06485	5.1
133.10123	5.1
135.04405	4.3
135.08035	18.5
137.05946	11.7
141.06960	5.2
141.09126	5.7
142.07780	6.8
143.08575	9.5
145.06468	6.9
145.10123	10.8
147.08084	17.5
147.11716	4.0
149.05983	4.9
149.09659	4.6
151.07553	3.3
153.01796	10.1
153.06958	4.1
154.07707	2.8
155.08530	10.5
156.09358	4.1
157.06540	3.3
157.10094	11.1
158.07408	4.2
159.08078	24.3
160.08846	3.1
161.05998	3.2
161.09576	11.4
163.07465	5.6
163.11087	4.9
165.06978	12.8
165.09134	3.5
166.07805	6.7
167.08575	9.0
168.35544	2.6
169.06409	2.7
169.08746	4.0
169.10124	12.1
171.08017	9.9
171.11685	5.7
172.08867	4.7
173.06119	2.9
173.09605	24.6
175.07434	7.0
177.09097	6.9
178.07770	4.5
179.07031	13.1
179.08540	8.4
180.09337	13.1
181.06490	3.2
181.10115	10.9
182.10876	5.7
183.08049	8.1
183.11678	10.3
184.08817	5.6
185.09598	15.3
185.13245	5.6
187.07527	5.1
187.11169	11.3
191.08774	3.2
192.09283	7.6
193.10216	13.7
195.08072	6.8
195.11664	19.5
196.08792	5.2
197.09586	14.9
197.13181	7.3
198.10391	7.9
199.07500	3.0
199.11203	9.1
199.77838	3.0
201.09102	5.1
203.10585	5.0
203.14307	3.2
205.08455	4.6
205.10149	8.0
206.10910	4.1
207.11644	8.2
208.08820	7.8
209.09619	19.7
209.13268	4.6
210.10332	7.1
211.11136	17.5
213.09258	5.2
213.12724	18.8
215.10674	3.7
219.08214	3.6
220.12488	8.5
221.09709	5.6
221.13376	6.2
222.10464	3.8
223.11188	43.9
224.11929	10.7
225.09155	7.0
225.12782	22.8
227.10634	8.3
230.10786	3.6
231.13828	5.9
233.09579	13.2
234.10191	3.7
235.11125	9.2
235.14912	6.1
236.11911	5.7
237.09166	4.7
237.12743	10.2
238.13547	4.7
239.10719	9.6
239.14337	10.8
241.12202	12.0
245.13390	5.7
248.11922	15.3
249.12666	8.6
251.10762	6.0
251.14333	7.7
252.11542	3.9
253.12358	4.8
253.15787	17.5
257.11777	4.8
261.08911	3.5
263.14304	29.3
265.12177	3.6
265.15836	6.0
267.10107	4.7
267.13831	10.1
269.11719	7.8
276.11462	3.5
279.13739	10.5
281.15332	44.3
285.14801	3.8
291.13748	14.1
297.14905	8.2
299.16470	24.0
309.14789	62.5
327.15894	93.8
327.19846	4.4
345.16953	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1694
Annotation	Caniojane
Peak:m/z	Relative Intensity
55.05506	1.4
63.54464	0.8
67.05487	1.2
69.03425	6.8
70.35568	2.8
71.04955	1.0
79.05487	2.8
81.07035	2.4
81.24495	0.9
84.30996	0.9
90.48199	0.8
91.05469	3.1
93.07047	2.2
95.04962	3.3
95.08627	1.9
105.07033	3.5
107.08551	1.8
109.06492	2.2
111.04464	0.9
115.05450	1.7
117.07028	1.8
119.08569	2.2
121.06493	1.7
129.07001	1.8
131.08557	2.0
133.06520	1.6
133.08061	0.9
135.08026	2.1
141.06944	2.5
142.07732	1.9
143.08488	2.0
145.06485	2.6
145.10156	1.1
147.08034	2.5
153.06940	1.4
155.08614	2.2
157.10136	2.8
158.07245	1.1
159.08078	7.1
159.11658	1.2
165.06995	3.0
166.07726	2.2
167.08508	2.2
168.09265	1.2
169.06454	3.4
169.10117	3.0
170.10892	1.0
171.08051	1.1
173.09624	1.5
178.07788	2.5
179.08630	3.8
180.09285	1.6
181.10133	6.0
183.08066	3.8
183.11635	1.0
184.08821	4.5
185.09607	3.3
187.07465	1.0
190.07722	1.2
191.08537	1.5
192.09328	2.2
193.10127	6.0
193.88138	0.9
195.08078	4.3
195.11681	3.3
196.08829	3.4
197.09570	6.1
198.10464	1.0
199.07436	1.2
199.11143	1.7
201.09189	1.0
203.08598	1.7
205.10089	3.5
206.10889	3.4
207.08040	1.9
207.11760	2.9
208.08885	1.0
208.12389	1.5
209.09590	7.2
209.13268	1.7
210.10365	1.4
211.07527	1.9
211.11201	2.8
213.09024	1.3
217.10168	1.3
218.10970	1.2
219.08005	4.7
220.12457	2.9
221.09622	5.8
221.13181	2.0
222.10378	1.7
223.11153	3.6
224.11765	1.0
225.09038	1.3
227.10727	1.8
230.10924	2.5
233.09616	16.1
233.13239	1.5
234.10266	4.1
235.11176	3.2
235.14749	1.6
236.11893	1.9
237.08945	1.8
237.12775	1.5
239.10643	2.9
239.14439	1.1
242.02293	1.1
246.10374	2.8
247.11148	3.7
248.11911	9.6
249.09067	3.0
249.12672	2.6
251.10904	1.1
251.14268	3.1
258.10400	1.3
261.09045	2.2
261.12775	1.7
263.10458	1.5
263.14322	7.9
266.12848	1.3
267.10062	3.8
269.11584	1.4
276.11356	4.9
279.13660	2.3
281.15356	3.7
291.13864	7.0
309.14856	7.2
313.03400	3.6
315.01370	3.1
327.15881	100.0
328.16211	3.1
330.03662	3.7
345.06052	15.9
345.16946	34.5
346.17303	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1331
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
55.01860	1.6
55.05490	2.7
65.03928	4.3
67.05475	1.6
67.16947	0.9
68.02623	1.0
69.03431	1.2
69.07055	2.3
70.05698	1.0
71.09100	2.1
71.09432	0.9
75.71598	0.9
79.05484	1.4
81.03391	2.0
81.07043	2.3
83.04955	1.7
85.02882	1.5
91.05453	2.7
93.03397	2.7
93.07021	2.2
95.04946	1.3
95.08588	2.2
96.02108	5.0
105.07032	1.8
107.01292	2.6
109.10130	1.6
111.03699	1.8
111.04429	24.6
115.05457	1.8
117.06956	1.6
119.08557	1.7
121.10084	1.4
123.04391	2.4
124.56605	1.0
128.06242	1.3
129.06979	3.2
131.04889	1.5
131.08499	1.1
132.05629	1.0
133.06493	1.1
137.02309	1.7
137.05983	2.6
139.03891	13.5
141.06972	2.5
142.07748	1.6
144.05692	1.5
145.06438	3.7
146.07260	1.0
147.04372	2.0
147.08017	1.8
151.07463	0.9
152.06155	1.9
152.18298	0.9
153.05441	2.6
153.06944	4.1
155.04831	1.1
155.08569	2.5
156.05740	1.0
157.06467	4.6
159.08029	7.8
160.08820	4.8
161.05991	4.5
161.09549	2.7
162.06694	1.1
165.06946	4.6
167.03398	7.5
167.04652	1.4
167.07103	1.0
167.08560	2.9
168.05659	4.0
168.09435	1.1
169.06502	4.4
170.07237	1.1
171.08009	2.4
172.08946	0.9
173.05981	1.8
175.03894	1.4
175.07501	2.0
178.07727	3.3
178.52065	0.9
179.03403	1.1
179.08505	5.9
181.06448	7.0
181.10120	1.1
182.07208	2.7
183.04410	1.4
183.08028	3.2
184.05174	1.5
185.05931	5.8
185.09570	2.6
187.07513	3.8
188.08324	8.6
189.07101	1.5
189.09105	2.8
191.06960	1.6
191.08542	1.7
193.06511	1.5
195.07957	4.7
196.05211	4.4
196.08723	4.2
197.05943	3.9
197.09587	2.2
198.06749	17.4
199.04024	1.3
199.07481	3.1
200.08296	3.2
201.05472	1.4
201.09090	1.2
206.07242	3.5
206.09239	1.2
207.08067	8.2
208.05067	1.0
208.08746	1.4
209.05920	3.1
209.09410	1.5
210.06677	3.9
210.10359	1.3
211.07558	11.3
211.11229	4.3
212.08269	2.5
213.05470	8.4
213.09045	4.0
214.02524	1.4
215.06929	1.9
221.06020	1.1
221.09549	3.3
222.10196	1.2
223.07501	6.5
224.04602	2.4
224.08275	5.8
225.05354	3.3
225.09052	4.5
226.06276	5.8
227.06943	5.4
227.10620	1.4
228.04079	1.1
228.07806	3.5
228.11324	1.1
229.04973	2.0
229.12209	1.1
234.06683	2.0
235.03737	1.1
235.07465	4.4
236.08171	2.8
237.05420	2.2
237.08896	2.8
238.06181	3.3
238.09842	9.5
239.04820	1.6
239.07028	21.5
239.10622	15.2
240.07764	8.5
240.10043	1.1
240.11084	0.9
241.01204	1.0
241.04912	6.1
241.08562	11.9
242.02078	2.4
242.05537	1.2
243.06517	13.4
243.10248	2.2
244.06982	1.5
249.09120	5.8
251.07036	3.9
252.04195	1.5
252.07793	4.7
253.04863	1.6
253.08575	8.8
253.12201	4.4
254.05649	1.4
255.06490	2.8
255.10025	1.2
256.07266	15.2
256.10858	2.7
257.07907	1.6
257.11652	1.4
258.08792	3.0
259.02240	1.5
263.07080	2.0
265.08481	1.3
266.09290	1.9
267.06573	4.7
267.10138	31.8
268.07242	19.8
268.10590	3.9
269.08038	26.4
270.01605	1.1
270.08572	2.7
271.02142	1.1
271.06366	1.3
271.09622	7.0
271.13156	7.3
281.08002	3.4
281.11575	4.6
283.09451	1.7
284.06763	3.8
284.10397	9.6
285.03989	4.4
285.11139	3.1
286.04510	1.2
286.08276	8.3
287.01791	4.0
295.09650	10.4
296.10376	12.1
299.09192	100.0
299.12689	18.4
300.09467	5.5
300.12808	1.8
309.11246	2.3
312.09763	1.7
313.03397	13.9
313.10663	21.9
314.03824	2.4
314.11230	2.6
315.01404	8.8
315.04745	1.1
316.01773	1.1
317.13916	2.8
327.12265	90.5
327.15802	4.9
328.12711	5.2
329.02948	1.9
330.03714	14.0
330.07458	1.8
331.03815	1.3
345.06158	45.5
345.13251	73.8
345.16806	3.1
346.06635	5.3
346.13571	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	345.1329
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
53.08487	1.0
64.71378	0.9
65.03932	4.8
67.80554	1.1
68.02637	1.7
70.69672	0.8
71.11789	2.7
71.43981	0.9
78.13332	1.0
81.03372	1.1
81.07049	1.6
83.04972	1.2
85.02885	2.3
91.05436	1.5
93.03372	2.7
95.04954	1.7
95.08627	1.0
96.02092	5.4
107.01312	1.7
107.04933	1.1
109.10105	0.9
111.04427	26.8
112.04777	1.0
115.05423	1.4
117.07043	1.2
121.06476	1.0
123.04413	4.4
124.01550	1.0
129.06987	2.6
131.04948	1.4
131.08585	1.0
137.02345	1.0
137.05962	2.8
139.03886	16.0
141.06975	2.7
144.05614	1.9
145.06415	5.0
146.07309	1.1
151.07428	0.9
152.06146	1.7
153.05544	1.6
153.06987	5.0
154.07753	1.3
155.04897	2.0
155.08556	1.5
157.06494	3.9
159.08037	5.6
159.82436	1.0
160.08807	5.4
161.05995	5.3
161.09572	3.5
162.06731	1.6
165.06996	4.0
167.03362	6.9
167.08546	1.9
168.05632	4.6
169.06445	3.9
170.07262	1.7
171.08049	2.3
173.05934	1.4
175.07568	2.5
178.07802	3.1
179.03374	1.0
179.08493	5.6
181.06499	6.2
181.10130	1.8
182.07176	2.1
183.04439	1.9
183.08020	4.0
184.08888	1.3
185.05946	5.6
185.09680	2.5
187.07495	6.0
188.08295	11.0
189.07069	1.0
189.09082	3.8
191.08438	1.2
193.06482	1.4
195.08026	5.4
196.05135	2.5
196.08774	4.2
197.05908	3.7
197.09593	3.0
198.06755	17.2
199.07454	3.7
200.04599	1.2
200.08247	2.6
201.08934	1.5
206.07333	2.2
207.04424	1.2
207.08044	8.6
208.08679	2.5
209.05864	5.4
209.09546	1.3
210.06754	3.9
210.10339	1.2
211.07483	10.5
211.11205	5.1
212.08177	2.4
213.05424	7.0
213.09071	4.0
215.06973	2.0
221.05968	1.7
221.09566	3.7
222.10260	1.0
223.07520	6.4
224.04646	2.9
224.08179	6.2
225.05394	2.5
225.09042	3.3
226.06242	5.5
227.07034	5.2
227.10640	1.4
228.07759	4.2
234.06714	1.7
235.07491	5.6
236.08295	1.8
237.05516	2.3
237.09100	2.8
238.06206	2.7
238.09853	10.9
239.07016	25.2
239.10609	16.0
240.07813	8.9
241.05005	5.5
241.08513	10.8
243.06508	14.0
243.10188	2.2
244.06784	1.1
249.09111	3.5
251.06989	3.2
251.10686	1.2
252.04161	2.3
252.07796	5.4
253.04874	2.3
253.08582	10.9
253.12270	3.5
254.05540	2.6
255.06532	3.1
255.10149	1.8
256.07260	18.3
256.10843	2.9
257.07950	2.1
258.08838	2.2
265.08542	1.4
266.09344	3.6
267.06531	4.8
267.10132	31.1
268.07285	25.1
268.10352	1.8
269.08044	28.1
270.08908	1.4
271.09799	7.2
271.13019	5.8
277.08569	1.2
280.07227	1.4
281.08026	3.8
281.11633	4.2
283.09698	1.8
284.06799	4.1
284.10382	10.2
285.03925	1.3
286.08209	6.7
287.01828	1.8
295.09613	10.2
296.10449	11.6
297.11075	1.2
299.09174	100.0
299.12708	16.4
300.09521	4.7
300.12756	1.2
309.11304	2.1
312.09903	2.7
313.03439	5.7
313.10721	18.0
314.04071	1.7
315.01184	4.2
317.13693	1.9
327.12238	84.7
328.12607	5.1
330.03632	7.2
345.06299	21.0
345.13257	71.4
346.06436	1.8
346.13431	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	345.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.4
53.03938	0.2
55.01861	0.6
55.05490	0.4
55.52548	0.2
56.05042	0.9
56.05253	0.2
56.96561	0.4
57.03436	1.0
57.03660	0.2
60.59726	0.2
61.02921	1.0
64.09566	0.2
65.03943	0.2
67.05503	0.3
69.03431	3.9
70.03759	0.2
70.06590	0.8
71.04984	0.8
71.61716	0.3
73.02911	1.0
75.04454	0.2
79.01852	3.5
81.00105	0.2
81.03411	1.6
82.03719	0.2
83.01355	0.2
83.04974	1.7
84.04501	0.4
84.08138	0.2
85.02905	6.6
86.03233	0.6
87.04462	0.8
91.03962	0.4
91.05484	0.4
93.03402	0.3
94.14736	0.2
95.04953	1.0
97.02890	3.9
98.03194	0.3
98.97595	0.4
99.04448	0.6
101.02454	0.2
101.06013	0.9
107.01297	1.5
107.04967	0.3
108.08089	0.4
109.02866	1.4
110.09732	0.2
111.04453	1.0
115.03918	0.3
116.07084	0.3
116.98638	0.2
119.01945	0.7
119.04938	0.3
120.05264	0.3
120.08083	0.2
122.07143	0.3
123.04424	0.4
123.05502	0.2
123.06806	0.3
124.03967	0.2
124.04774	0.2
125.02363	3.5
127.03067	0.4
127.03922	3.2
128.04240	0.3
128.98624	0.2
129.05498	0.8
131.01889	0.3
133.03418	0.4
134.06058	0.2
136.07578	5.7
137.02783	0.3
137.07886	3.9
138.05386	0.9
138.09108	0.5
139.03902	0.4
139.05821	0.3
143.02060	0.3
143.03397	7.2
144.03732	0.2
145.03502	0.5
145.04941	1.1
146.05360	0.2
146.99643	0.3
147.06528	0.6
148.03902	2.4
148.07655	1.3
149.02751	0.2
150.04784	0.2
152.07088	0.2
153.01826	100.0
153.02779	3.7
154.02173	2.5
154.08627	0.4
155.01910	0.5
157.03452	0.4
157.04828	0.2
161.01228	0.2
161.02982	0.8
163.04546	0.3
164.07066	0.6
165.05545	0.4
165.07661	0.8
165.08748	0.1
166.04974	7.9
166.07303	0.3
166.08670	3.8
169.03485	0.2
171.01509	0.3
171.02872	1.7
171.05084	0.3
173.02974	0.8
174.04631	0.4
174.06046	0.2
175.04565	0.3
176.06148	0.2
177.00717	0.2
177.04198	0.2
178.25717	0.2
182.08110	3.4
182.09549	0.3
183.04961	0.5
183.08449	3.3
183.11116	0.2
184.05829	4.7
184.09673	3.2
185.02913	0.2
191.03967	0.3
197.03027	0.2
201.06131	0.2
203.03802	0.2
210.08714	0.2
214.08263	0.7
219.01782	0.4
221.03076	0.2
221.04950	0.4
227.03941	0.2
229.04826	0.2
232.02147	0.2
233.05037	0.2
237.02902	0.5
245.05063	1.0
251.93542	0.2
255.06577	0.5
256.07779	0.2
264.07410	0.7
264.57816	0.3
265.05432	0.2
275.06091	0.2
313.03568	0.9
315.01367	0.7
316.13852	0.4
321.10272	0.2
327.07251	1.0
327.12341	0.3
330.03772	0.7
345.06104	1.4
345.09027	0.8
345.12875	2.6
345.22156	0.3
346.11023	4.1
346.15039	4.4
351.11511	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0603
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
53.87430	0.2
57.65069	0.2
65.60880	0.2
69.51252	1.9
79.76507	0.2
81.07059	0.3
91.05463	0.2
95.04967	0.3
115.05461	0.4
128.06256	0.2
131.04918	0.5
135.05707	0.2
143.04855	0.4
145.06485	0.8
147.04369	0.4
155.04927	0.4
157.06517	0.3
157.70764	0.2
158.03615	0.5
159.04375	0.8
161.06013	0.3
163.26221	0.2
170.03595	0.4
171.04402	0.6
173.05991	1.0
175.03874	1.0
185.05904	0.5
186.03140	1.1
187.03888	0.6
189.05521	0.3
197.02281	0.4
198.03125	0.5
199.00261	0.3
199.03970	1.1
200.04643	0.3
201.05441	2.4
203.03424	1.5
210.03043	0.3
211.11096	0.3
212.00806	0.3
212.04680	0.3
213.01862	0.5
214.02579	2.2
215.03378	1.0
217.05055	0.3
225.01675	0.3
227.03336	0.4
228.04105	1.3
229.04909	2.5
230.25000	0.3
231.02907	3.2
241.01312	2.1
241.99826	0.4
242.02089	4.9
243.02888	0.5
247.06099	0.3
254.01996	0.3
255.02774	0.3
256.03604	1.0
257.04477	0.6
259.02359	2.9
267.10223	0.3
269.00717	2.3
269.08249	0.3
270.01550	3.4
271.02429	1.1
274.04764	0.6
283.99799	0.3
284.03235	0.8
285.03909	10.2
286.00888	0.7
286.04538	0.7
287.01834	7.3
297.00269	1.1
298.00897	0.5
299.01938	1.8
299.09445	0.4
299.99005	0.9
300.02097	0.2
301.03464	1.3
302.04178	0.7
312.02634	1.4
313.03394	31.9
314.04111	3.2
315.01324	20.9
316.02026	1.0
327.12283	0.6
327.15979	0.6
329.02911	3.6
330.03668	31.2
331.03946	0.8
345.06018	100.0
346.06335	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	345.0815
Annotation	Theogallin
Peak:m/z	Relative Intensity
51.02373	0.6
53.22567	0.2
55.05497	0.3
55.33397	0.2
67.05481	0.2
69.03428	0.3
70.19048	0.4
70.19457	0.8
79.01846	4.2
81.03437	0.5
83.04973	0.7
93.03401	0.3
95.04952	0.4
95.37035	0.2
97.02880	0.9
102.69549	0.2
107.01339	1.2
109.02873	0.7
111.04427	0.6
114.20084	0.2
125.02352	3.8
127.03886	1.1
129.05458	0.5
139.03941	0.3
143.03386	7.7
153.01820	100.0
153.02782	3.6
154.02162	1.9
171.02882	1.2
234.77136	0.2
259.77393	0.2
327.06976	0.5
330.03790	0.3
345.05734	0.3
345.16568	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0601
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
60.72548	0.3
70.38313	0.3
70.85930	0.6
70.86272	0.4
102.26657	0.3
112.76656	0.2
131.04898	0.3
145.06505	0.6
155.04883	0.4
157.06453	0.3
158.03642	0.5
159.04410	0.4
171.04390	0.6
173.05949	0.8
175.03926	0.7
185.05815	0.4
186.03061	0.9
187.03883	0.6
196.14455	0.3
197.02371	0.4
198.03120	0.4
199.03854	1.0
201.05469	2.2
203.03401	1.5
203.48927	0.3
213.01804	0.6
214.02638	1.8
215.03383	0.7
225.01697	0.3
226.02402	0.3
227.03302	0.3
228.04120	0.8
229.01604	0.3
229.04945	1.7
231.02908	2.5
236.05908	0.3
241.01338	1.2
242.02052	3.7
243.02763	0.4
256.03601	0.9
257.04462	0.5
259.02335	2.3
269.00836	1.9
270.01529	2.6
271.02396	0.9
274.04715	0.4
284.03094	0.5
285.03918	7.5
286.01074	0.8
286.04413	0.5
287.01831	5.3
297.00208	0.9
299.01807	1.3
299.98785	0.5
301.03342	1.4
302.04306	0.4
312.02643	1.5
313.03381	27.0
314.00974	0.3
314.03995	1.9
315.01318	18.6
316.01923	0.5
329.02939	2.3
330.03671	26.0
345.06015	100.0
346.06296	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0602
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
53.03886	0.2
55.05465	0.2
59.04963	0.2
67.05455	0.5
68.82163	0.2
69.03381	0.7
70.22282	0.2
71.34780	0.4
76.35487	0.2
79.05458	0.3
81.06997	0.8
85.02855	0.2
85.06467	0.2
91.05430	0.5
93.07037	0.4
94.10998	0.2
95.04906	0.3
95.08549	0.7
103.05404	0.2
105.06972	0.6
107.08544	0.6
109.06492	0.3
109.10077	0.5
115.05391	0.7
117.06973	0.5
119.08519	0.4
121.10063	0.3
123.11646	0.2
128.06201	0.3
130.04149	0.2
130.28517	0.2
131.04849	0.6
133.10123	0.2
135.08018	0.2
135.11601	0.4
137.05936	0.4
137.09557	0.2
143.04880	0.4
145.06497	1.1
147.04332	0.5
147.11693	0.3
151.12219	0.2
155.04828	0.2
155.08601	0.2
157.06384	0.2
158.03568	0.4
159.04344	0.6
159.11673	0.2
160.02092	0.2
161.02429	0.2
161.05894	0.4
167.07033	0.2
167.08426	0.2
169.02838	0.4
170.03632	0.2
171.04335	0.7
172.05063	0.3
173.05960	1.1
175.03839	0.8
177.16257	0.2
178.07892	0.2
183.04399	0.2
185.02283	0.3
185.05937	0.4
186.03107	1.7
187.03831	0.8
189.05307	0.3
191.07033	0.3
193.10049	0.2
195.07976	0.3
197.02283	0.3
198.03036	0.5
199.03880	1.2
200.04637	0.4
201.05461	3.1
202.02475	0.2
203.03394	1.7
204.04008	0.2
205.04950	0.3
205.10069	0.2
209.09497	0.3
212.01070	0.2
212.04585	0.4
213.01846	0.5
214.02582	2.3
215.03383	1.1
217.04869	0.4
218.05701	0.3
219.17322	0.2
225.01715	0.5
226.02547	0.3
226.99821	0.3
227.03348	0.6
228.04172	1.7
229.01384	0.3
229.04979	2.6
229.07321	0.5
230.02173	0.3
231.02882	3.9
232.03542	0.3
233.09555	0.5
239.03079	0.2
241.01271	2.0
242.02084	6.1
243.02754	0.8
244.03661	0.4
246.05095	0.5
247.06006	0.5
248.11996	0.4
255.02824	0.2
256.03674	1.2
257.00583	0.4
257.04431	1.2
259.02332	3.0
263.14264	0.4
267.09995	0.2
268.03552	0.3
269.00827	2.8
270.01566	3.8
271.02322	1.3
271.99722	0.3
274.04700	0.8
284.00000	0.2
284.03210	1.2
285.03909	11.3
286.01028	1.0
286.04556	0.7
287.01828	9.1
297.00311	1.2
298.00916	0.4
299.01880	1.5
299.09198	0.3
299.98972	0.7
300.02490	0.3
301.03485	1.6
302.04190	0.6
312.02634	2.0
313.03381	35.4
313.10767	1.2
314.03998	2.0
315.01309	24.4
316.01874	1.1
320.13684	0.4
327.12314	0.4
327.15918	3.4
329.02869	3.4
330.03665	31.3
331.03992	0.6
345.06012	100.0
345.27850	0.5
346.06366	1.8
362.08688	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22801	0.4
56.36948	0.4
57.03448	0.5
60.04519	0.7
61.02923	0.8
69.03419	1.6
71.51291	0.5
85.02908	3.9
89.06033	2.2
91.05477	5.1
93.07027	0.4
97.02885	1.3
119.04939	16.7
121.30804	0.4
122.06091	0.5
123.04414	1.3
127.03973	0.5
133.08585	1.0
135.55295	0.4
145.04967	0.6
147.04407	100.0
148.04768	1.3
164.07062	1.1
164.08345	0.8
164.10719	1.0
165.05475	55.2
166.05785	0.7
180.08638	1.0
182.02678	0.5
182.08119	1.3
182.09589	0.4
199.31253	0.4
210.15282	0.4
250.52217	0.5
313.03427	0.8
327.20187	1.8
330.03757	0.8
345.06195	2.5
356.67148	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.01873	0.6
56.96556	0.9
57.03424	1.1
59.04982	0.7
61.02923	1.7
67.05495	2.1
69.03430	5.4
70.89156	1.6
71.01347	0.5
71.04997	0.9
73.02908	1.2
74.97494	0.4
76.07607	0.9
76.10732	0.5
81.03411	2.8
81.07044	0.6
83.04984	1.0
85.02899	10.3
87.04463	1.3
91.03941	0.9
91.05475	4.3
95.04961	0.9
97.02891	5.3
98.97580	1.7
99.01122	0.5
99.04433	1.3
101.41848	0.5
103.03984	0.5
107.75536	0.5
108.08115	4.7
109.02881	2.3
111.04406	0.7
116.05863	0.5
116.98614	0.9
119.01920	0.8
119.04952	3.2
119.05740	0.4
123.04453	2.8
127.03898	2.7
130.08694	0.8
131.01868	0.5
134.06006	0.6
136.07570	93.7
137.04546	0.7
137.07874	1.2
138.05475	3.7
145.04977	1.6
146.05983	1.7
146.99582	0.6
147.04337	1.0
147.06526	1.4
148.03923	1.2
148.07581	0.8
150.07716	0.9
153.01836	3.7
153.02907	0.8
161.02895	0.6
164.05670	6.6
164.07068	19.4
165.05426	3.9
165.07573	0.8
166.04959	2.9
166.08640	1.5
173.03027	0.6
175.04521	0.6
177.00578	0.6
178.04738	0.5
182.06731	9.6
182.08118	100.0
183.07674	1.7
184.09683	1.3
188.09076	0.5
191.65384	0.5
206.04509	1.1
219.01729	1.1
237.02817	1.5
242.05368	0.6
245.05106	0.7
262.10550	0.6
278.06760	0.5
280.11871	0.8
308.11258	1.8
326.08582	0.7
326.12183	3.1
343.61719	0.6
344.09290	5.1
344.13333	39.0
345.13071	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61753	0.5
60.04501	0.8
61.02924	0.8
67.05467	0.5
69.03423	1.2
69.81277	0.6
70.06604	0.7
70.72307	1.3
70.72713	1.3
80.56342	0.5
81.03415	0.8
85.02895	4.8
86.09703	0.8
87.04469	1.1
89.06027	36.5
91.05475	5.2
93.07069	0.6
94.06527	0.7
95.04968	0.7
97.02883	1.4
105.07093	0.6
107.07072	1.0
119.04932	17.8
122.05981	0.8
123.04457	1.1
124.03919	1.1
127.03848	1.0
130.08595	0.7
133.08594	22.3
136.07582	1.0
145.04973	0.9
147.04399	100.0
148.04742	1.3
158.36026	0.6
165.05467	62.1
177.11188	7.5
179.76030	0.6
180.08638	1.4
182.02681	3.1
182.08145	2.1
205.12111	1.1
221.13821	1.5
239.14839	1.7
250.88451	0.6
283.17502	1.8
313.03259	1.2
326.14752	1.0
327.20117	21.9
330.03784	1.1
330.56708	0.6
339.92517	0.6
344.15005	1.8
345.05991	2.9
348.44141	0.7
367.82172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.9
61.02902	1.4
61.85388	0.5
65.02843	0.4
69.03429	3.4
71.04310	1.0
71.04626	0.5
73.02927	0.7
81.03411	1.6
83.01334	0.5
84.83032	0.5
85.02900	16.6
89.00340	0.5
91.03893	0.6
91.05465	3.8
97.02905	3.8
99.04427	0.6
109.02860	1.5
119.04941	16.5
120.05196	0.6
120.08092	0.7
123.04418	2.1
127.03934	2.9
145.04942	4.0
147.04399	100.0
148.04747	1.4
163.06067	0.5
164.07074	0.6
164.53185	0.5
165.05464	55.9
166.05829	0.6
180.08661	1.9
182.08147	1.5
281.02057	0.5
301.10681	0.6
309.09698	0.6
344.13602	2.6
367.36871	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	18.6
57.03430	2.4
57.07067	7.6
58.88943	1.7
67.05499	32.9
69.03433	2.2
69.07064	42.3
70.90627	5.7
71.04974	1.9
71.08614	4.0
79.05481	9.0
81.07052	95.0
83.04951	2.0
83.08611	23.2
85.06529	5.9
91.05494	3.5
93.07050	17.6
95.04971	2.4
95.08600	100.0
96.08952	2.4
97.06509	2.1
97.10151	19.3
98.64417	1.8
99.08080	9.2
105.07007	9.0
107.08614	18.5
109.10150	48.1
111.08090	4.5
111.11706	10.4
113.09576	2.1
117.06998	2.0
119.08587	7.5
121.10136	16.6
123.04446	13.3
123.08092	2.5
123.11712	27.6
125.09628	4.5
125.13277	2.4
131.08554	2.3
133.10121	10.5
135.11685	9.3
137.09599	3.0
137.13239	9.5
139.03932	2.0
139.11151	4.4
143.10638	3.4
145.10136	4.1
147.04387	2.6
147.11662	7.2
149.13275	8.9
151.11211	5.9
151.14769	11.5
159.11681	3.9
161.13249	8.0
163.11180	8.2
163.14812	4.5
165.12712	4.3
165.16364	2.9
169.12247	2.0
175.14774	5.1
179.14320	5.6
181.12309	2.7
186.84482	2.0
187.13289	2.2
187.14839	2.2
189.16362	4.5
191.06918	3.4
191.17938	3.9
193.10834	1.9
193.15947	4.5
201.16406	1.8
202.82761	1.9
203.17978	2.5
213.18529	2.8
215.18062	3.3
215.81360	2.2
216.79555	1.9
221.18938	2.2
223.16957	3.2
233.18938	2.3
237.18509	4.5
251.20007	2.5
259.24377	2.1
264.47803	1.8
267.09848	2.3
271.24167	4.1
273.07516	4.3
275.14099	3.1
277.25278	4.7
289.25189	7.4
307.26297	18.9
325.27371	6.1
343.11835	4.3
349.20926	2.1
367.21304	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	343.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97817	4.2
55.01852	5.4
55.05513	26.3
56.96559	8.7
57.07073	7.8
67.05504	33.4
67.29480	3.9
69.03420	16.9
69.07063	34.6
71.04984	5.8
71.29327	4.8
71.59322	7.6
79.05495	21.2
81.03407	6.5
81.07053	100.0
82.07380	4.0
83.04982	7.1
83.08617	19.1
85.02893	16.2
85.06538	14.1
91.05471	14.7
93.07030	38.1
95.04975	16.5
95.08604	93.3
97.02866	4.9
97.06541	10.7
97.10149	18.6
98.97590	7.2
102.66884	3.8
103.05502	5.6
105.07009	30.4
107.04913	6.8
107.08607	35.8
109.00503	4.5
109.06499	13.9
109.10154	47.6
111.08075	6.9
111.11704	8.6
116.98617	6.8
117.36279	4.1
119.08568	31.4
121.06492	5.5
121.10130	27.9
123.04475	9.9
123.08035	8.8
123.11710	28.1
125.05953	7.9
125.09562	7.8
127.11211	5.4
129.06976	10.3
131.08554	13.3
133.06477	5.0
133.10136	28.2
134.99696	6.7
135.08031	7.5
135.11658	22.5
137.05959	11.4
137.09605	6.2
137.13226	8.6
139.11200	5.1
143.08595	7.1
145.10117	15.5
147.04417	7.3
147.11650	14.0
149.09598	8.0
149.13284	9.6
151.03934	4.4
151.14799	10.7
155.08665	4.6
157.10095	11.2
159.08095	4.8
159.11667	15.5
161.13220	7.4
163.11165	27.7
165.06908	4.4
165.12750	6.5
171.11641	8.4
173.13235	5.4
175.14838	6.8
177.12701	4.2
179.03355	6.6
181.12218	10.9
182.71724	4.2
183.11601	7.3
185.13185	5.4
189.08990	5.3
191.03348	7.1
191.18031	5.3
197.04456	8.1
199.11145	5.7
199.14893	6.9
201.16341	5.8
209.09654	4.1
267.09879	5.0
289.25012	5.8
307.26291	16.0
315.85645	4.6
316.16321	4.9
325.21506	7.4
329.00348	4.9
334.17404	5.3
343.12033	23.9
343.15381	12.7
343.18860	14.5
343.22668	16.8
343.26364	12.8
343.29865	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	343.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	22.9
57.03427	2.3
57.07051	4.7
57.23806	2.2
67.05500	30.7
69.07066	37.8
69.97358	13.4
79.05477	8.9
80.75175	2.3
81.07050	87.4
83.08617	18.3
85.06522	5.6
91.05442	3.1
93.07036	13.0
95.04919	3.2
95.08601	100.0
97.06511	4.5
97.10169	17.0
99.04410	2.6
99.08076	7.6
100.58228	2.4
105.07014	5.5
107.08602	17.6
109.10150	49.6
111.08128	3.8
111.11732	9.4
113.06095	2.4
119.08561	5.7
121.10159	9.6
123.11723	23.1
125.09642	2.8
125.13265	4.3
133.10118	4.1
135.11691	6.7
137.13263	11.0
139.11215	4.2
143.08545	3.0
143.10606	3.7
145.10144	4.6
147.11690	4.4
149.13263	7.2
150.06322	2.2
151.11227	6.0
151.14818	19.1
157.12210	6.0
159.11708	3.5
161.13240	5.9
163.11197	5.4
163.14821	6.5
165.12784	4.1
165.16451	3.6
175.14819	4.7
177.16425	6.6
179.14290	9.5
189.16399	4.9
191.17947	4.3
198.53876	2.4
207.17422	3.8
215.17975	3.0
233.18956	2.9
237.18719	3.1
271.24277	5.8
289.25339	5.8
307.26254	20.7
325.27505	5.1
343.11639	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	343.2266
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03938	2.5
55.01859	3.9
55.05508	13.8
57.03430	6.7
57.07066	6.6
59.04985	3.9
65.03905	1.6
67.05500	20.6
69.03426	8.8
69.07064	7.3
69.99639	3.5
70.00054	3.4
71.04986	18.0
79.05481	16.9
81.03424	3.1
81.07044	22.4
83.04968	3.9
84.72447	1.4
85.06527	2.7
91.05470	22.3
93.07034	50.3
95.04959	40.3
95.08598	59.9
96.08945	1.3
97.06512	10.5
98.21421	1.3
103.05453	2.0
105.07019	53.8
106.07377	1.2
107.04951	2.3
107.08585	40.0
109.06497	12.3
109.10139	4.1
115.05448	4.6
117.07009	24.3
119.08578	22.2
121.06499	12.9
121.10126	13.8
123.08068	16.3
123.11669	2.3
125.05955	1.7
128.06209	3.2
129.07001	6.0
130.07767	12.7
131.08556	7.5
133.06438	4.0
133.10133	10.7
135.08051	17.4
135.11693	13.6
137.05968	2.6
137.09605	4.3
143.08533	8.2
144.09299	1.5
145.06511	1.5
145.10112	62.0
146.07208	1.3
146.10393	1.4
146.56953	1.1
147.08003	9.7
147.11696	4.2
149.09595	5.7
151.07529	26.9
151.11029	1.4
153.09085	2.3
155.08539	2.3
157.10146	6.2
159.07993	3.8
159.11703	7.3
160.97337	2.8
161.09579	6.3
161.13235	2.8
163.11168	52.6
164.11531	1.7
165.05482	1.8
165.06943	1.1
165.09109	11.2
167.08485	2.2
169.10107	2.9
171.11676	4.5
173.09602	3.7
173.13268	4.0
175.11136	3.6
175.14761	1.2
177.09100	4.0
179.07034	4.6
179.08501	1.3
181.10150	1.5
181.12228	1.8
182.10814	1.2
183.11635	2.9
185.09659	1.4
185.13197	1.8
187.11203	5.3
187.14815	2.0
189.09038	1.3
189.12714	8.1
191.10709	2.1
191.14326	3.5
195.11665	2.7
197.13257	3.5
199.11169	1.9
199.14828	1.3
201.12762	1.5
203.14290	7.7
207.10143	1.6
207.11993	1.4
207.13768	5.4
209.13367	2.6
209.15361	3.3
215.14348	3.4
217.12148	2.5
221.15346	21.7
223.14923	1.9
225.12680	2.8
227.14375	1.3
233.15404	1.4
241.15842	1.6
243.13724	1.6
245.15314	1.8
251.14259	1.8
263.16360	7.9
269.15363	3.6
269.18213	1.1
274.19302	1.8
277.92639	1.3
283.16882	1.3
286.18964	5.6
287.16681	2.7
287.20032	4.0
294.11255	1.4
307.20407	1.8
325.21542	9.5
336.88901	1.2
343.08151	1.6
343.22647	100.0
344.07306	2.4
344.22891	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2266
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03935	4.1
55.01869	3.8
55.05520	12.0
55.47367	2.1
56.96568	3.1
57.03429	4.8
57.07050	4.9
62.64231	2.4
67.05492	16.3
67.57784	2.1
69.03416	8.9
69.07052	8.0
69.29306	2.3
71.04989	16.0
79.05487	15.7
81.07046	23.1
83.04938	4.8
83.08610	3.1
85.06528	5.4
90.29781	2.0
91.05470	20.3
93.07037	43.6
95.04964	33.5
95.08601	57.3
97.06524	9.7
97.10165	2.8
103.05490	2.7
105.07021	52.5
107.08591	31.8
109.06503	11.8
109.10167	6.4
111.08089	2.5
115.05427	5.5
117.07002	18.7
119.08568	24.2
121.06503	9.6
121.10135	15.2
123.08050	14.6
125.06013	3.2
125.09607	3.4
129.06985	5.1
129.33728	2.3
130.07767	9.1
131.08537	9.2
133.06432	4.7
133.10107	13.7
135.08022	18.8
135.11676	10.2
137.09651	3.2
143.08574	8.1
145.10121	57.1
147.08047	10.7
147.11688	6.7
149.09625	6.1
151.07538	28.4
157.10130	6.6
159.11650	9.3
161.09593	6.9
161.13239	4.4
163.03911	2.7
163.11148	43.0
165.09120	10.2
169.10101	2.7
171.11719	4.3
173.09674	4.4
173.13283	4.2
175.11172	6.2
177.09138	4.8
179.07034	2.9
181.10083	3.8
183.11610	2.3
185.13281	3.2
187.11227	3.9
189.12766	5.3
191.14331	2.6
195.11697	2.5
197.13284	4.2
203.14319	5.7
209.49309	2.5
215.14294	2.7
221.15379	21.4
263.16422	4.9
286.19394	4.5
325.21655	11.0
325.25043	2.6
343.22620	100.0
343.26276	10.4
344.23026	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	343.2241
Annotation	E-64d
Peak:m/z	Relative Intensity
53.60107	0.8
54.52179	0.7
56.96545	1.4
65.85925	0.7
66.84496	0.7
67.05499	1.7
69.03426	1.2
69.07068	1.3
69.33813	7.8
73.06580	0.7
79.05499	1.0
81.07040	3.5
82.09416	0.8
83.04949	0.8
83.08623	1.0
85.02910	1.1
91.05428	1.0
93.07031	2.2
95.04939	0.9
95.08602	2.4
98.20781	1.4
105.07001	2.3
109.10130	1.4
116.98597	0.9
119.04985	0.8
119.08567	1.2
123.74612	0.7
128.61586	0.7
131.08572	1.4
133.10123	1.7
145.10127	2.0
147.11661	0.7
159.11850	1.3
169.10077	1.0
240.23166	0.9
269.10617	1.2
325.14233	0.9
343.22433	100.0
344.22647	6.2
344.26047	0.7
365.16949	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76484	0.7
53.03935	1.6
55.01857	2.2
55.05497	4.6
56.96553	1.5
57.03429	3.7
57.07057	1.5
61.02909	3.3
63.09665	0.8
67.05504	6.5
69.03425	12.3
69.07064	4.9
71.04977	4.2
71.60126	1.2
73.02903	2.4
79.05486	7.2
81.03413	5.7
81.07047	15.5
83.04984	6.1
83.08598	2.1
85.02897	29.1
85.06539	1.8
87.04442	1.8
90.22202	0.8
91.03938	1.8
91.05462	7.3
93.07041	14.7
95.04964	18.5
95.08596	9.1
97.02879	10.1
97.06513	2.9
97.10187	1.5
99.04460	2.3
103.03867	0.8
103.05447	2.4
104.88089	0.7
105.03362	1.1
105.07022	9.9
107.04961	1.7
107.08589	12.8
109.02869	3.0
109.06484	4.3
109.10145	6.2
109.77147	0.8
111.08070	1.3
111.11715	0.9
117.07011	3.5
119.04957	0.9
119.08557	6.8
121.06480	4.2
121.10136	13.3
123.04424	2.3
123.08036	1.8
123.11700	2.1
125.05976	10.5
127.03906	8.5
129.06993	1.5
130.07767	3.2
131.04932	2.2
131.08548	1.6
133.06474	2.5
133.10139	5.2
135.04382	1.2
135.08057	1.9
135.11679	9.9
137.05972	5.4
137.09569	1.5
139.03893	1.0
143.08528	1.4
145.04930	7.2
145.06432	1.1
145.10110	18.1
147.04347	1.4
147.08022	1.2
147.11670	2.3
147.48064	0.7
148.08868	1.1
149.13248	2.4
151.03917	0.9
151.07535	1.8
153.01808	3.9
156.09525	0.8
157.10178	0.8
159.11690	1.7
161.06007	5.5
161.09564	1.1
161.13254	1.6
163.03929	1.6
163.07506	2.6
163.11166	100.0
164.11551	2.1
165.05566	0.9
165.09065	2.0
165.12730	2.1
166.07820	0.9
167.06987	2.7
173.09506	1.3
173.13237	1.2
175.07561	2.0
175.11162	1.2
177.09229	0.8
179.03357	1.0
181.08594	3.1
181.12213	20.4
183.10164	1.1
189.09064	2.1
189.16380	1.0
191.03343	5.2
205.12177	1.8
209.07965	1.1
219.10190	1.1
223.13316	2.2
229.06050	0.9
250.09959	1.0
269.07791	0.9
271.24216	0.9
283.09436	1.2
289.25165	2.2
293.11679	0.9
297.11075	1.4
299.12643	1.4
307.15399	1.0
307.26157	1.9
311.12692	2.4
325.14346	1.6
343.04504	1.7
343.07990	2.8
343.11682	3.2
343.17200	5.6
343.30420	1.0
361.02188	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	343.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01859	1.5
55.05502	1.0
57.03435	3.4
57.07054	1.4
61.02930	3.2
67.05508	0.9
69.03083	0.8
69.03426	11.5
69.07054	0.7
69.74116	4.1
71.04970	2.3
73.02901	1.1
79.05486	3.6
81.03408	4.6
81.07042	8.9
83.01376	0.6
83.04974	5.0
85.02901	29.9
85.06527	0.8
87.04446	1.3
91.03926	1.5
91.05454	3.2
93.07030	7.7
95.04356	1.1
95.04957	16.8
95.08589	1.4
97.02888	8.7
97.06503	3.1
97.19377	0.6
99.04442	1.4
103.03949	0.7
105.07025	7.3
107.04942	0.9
107.08600	9.3
109.02841	3.5
109.06494	2.6
110.15656	0.5
117.07001	3.2
119.08558	2.7
121.06496	3.6
121.10133	11.0
121.95214	0.6
123.04420	2.6
123.08117	1.0
125.05984	10.8
127.03921	7.7
129.06998	0.7
130.07788	2.7
133.06500	1.3
133.10062	1.1
135.08002	0.8
135.11699	6.9
137.05963	1.8
139.03928	0.8
143.08519	1.6
145.04953	7.6
145.10114	16.0
147.04416	2.0
147.08060	1.5
148.08844	0.7
149.05933	0.9
149.09612	0.7
151.03885	1.2
151.07487	0.7
161.09633	1.3
163.03897	1.0
163.11168	100.0
164.07071	1.5
164.11537	2.1
165.09071	1.1
167.07051	1.3
175.07530	0.8
175.11154	0.6
181.12213	18.7
183.10190	1.8
191.06966	1.7
192.06441	1.0
205.12227	1.5
223.13312	2.4
289.14410	0.6
307.15344	1.2
316.41422	0.5
326.31012	0.7
343.13419	1.7
343.17477	1.5
343.99710	0.6
344.11218	1.7
347.75876	0.7
348.76187	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.01868	2.1
55.05509	1.3
57.03426	4.3
61.02928	7.0
67.05496	2.9
69.03425	20.6
69.07085	2.2
70.74291	2.1
70.74657	1.9
71.04985	4.0
73.02930	5.0
79.05485	4.8
81.03419	8.4
81.07043	7.5
83.04975	7.2
83.08613	1.0
85.02901	47.7
85.29697	0.9
86.09727	0.9
87.04456	2.8
91.03946	2.3
91.05460	5.7
93.07045	13.8
95.04961	22.2
95.08620	2.8
97.02891	15.9
97.06529	4.5
99.04440	4.2
103.05432	1.1
105.07018	14.5
107.04951	3.5
107.08590	14.3
109.02895	5.0
109.06514	7.6
109.10169	1.4
117.07018	3.1
118.47306	0.9
119.04971	1.3
119.08564	6.6
121.06514	5.7
121.10133	34.4
123.04414	2.5
123.08080	5.3
125.05979	13.9
127.03920	11.2
130.07770	1.9
133.06479	3.9
133.10121	1.4
134.03491	0.9
135.08072	2.2
135.11693	13.3
137.05984	5.3
137.09613	2.7
138.05496	1.1
145.04951	10.3
145.10110	22.9
147.08026	2.6
147.11665	2.7
148.08846	1.3
153.01849	1.7
159.11685	1.0
161.05876	1.1
161.09624	1.1
163.11174	100.0
164.07079	2.6
164.11522	2.3
165.09116	2.6
165.12740	6.2
167.07036	1.0
175.11119	1.5
178.92424	0.9
181.08603	4.5
181.12225	39.3
182.12607	1.0
183.07889	1.0
183.10162	1.1
185.28502	0.9
191.07036	1.8
205.12227	2.4
223.13408	2.5
240.65775	1.0
297.11096	1.0
343.04477	1.8
343.13663	7.4
343.17493	3.8
344.15121	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57339	0.4
53.03941	1.3
55.01872	1.1
55.05507	12.2
55.23230	0.4
56.05849	0.5
56.96560	0.5
57.03417	0.5
58.01506	0.4
62.09156	0.5
67.05506	1.5
68.99791	1.0
69.03427	1.7
69.07037	0.5
69.56239	0.4
70.73315	0.5
70.73670	1.9
71.05005	0.9
75.64751	0.4
76.48274	0.4
77.03931	0.8
79.05482	3.2
81.03410	0.9
81.07050	1.7
83.04973	0.7
83.08610	8.8
85.02886	4.6
89.03916	0.6
91.05452	3.6
93.07039	2.0
95.04955	3.4
95.08605	1.7
97.02898	1.4
100.11245	100.0
101.11575	1.4
103.05450	4.1
104.34657	0.5
105.03361	0.6
105.07018	3.9
107.04926	4.6
107.08582	2.2
109.02825	0.5
109.06500	1.2
109.10139	0.7
110.06055	0.7
111.04422	2.0
115.05449	2.0
117.03397	0.9
117.06985	1.2
117.13857	2.0
118.04208	0.5
119.04942	3.7
119.08533	1.2
121.02867	0.6
121.06474	0.7
121.10144	1.9
122.03638	1.5
123.04411	11.0
123.08051	0.6
125.05967	1.6
127.03884	1.2
127.08642	0.8
128.07045	0.5
131.04912	7.3
133.06485	1.8
133.10100	0.7
135.04395	4.8
135.08060	0.9
135.11656	0.8
137.02286	1.4
137.05963	27.1
138.06328	0.5
139.08612	1.0
141.07001	1.6
143.08525	0.7
145.04927	0.9
145.06483	0.8
145.10121	1.6
146.03656	4.1
147.04402	8.7
147.08035	0.8
147.11736	0.9
149.05997	2.4
151.03932	0.9
151.07524	3.6
153.01822	0.8
157.06479	1.0
158.07330	0.7
159.11720	0.6
160.05235	0.9
161.05965	27.0
162.02263	0.6
162.06551	1.1
162.90477	0.5
163.03889	7.6
163.07526	13.7
163.11148	6.8
163.14824	0.6
164.07829	0.8
165.05453	2.2
165.06909	1.2
165.09062	0.5
165.12787	0.6
166.07782	0.7
167.07011	0.8
167.08598	0.5
169.06436	1.9
173.09596	0.7
174.06679	0.5
175.03789	0.9
175.07523	19.5
176.07954	0.6
177.05408	1.7
177.06915	0.9
177.09082	1.9
178.07729	0.9
179.03352	4.7
179.07051	0.6
179.08524	1.8
181.01378	0.6
181.06522	1.7
181.08545	1.2
181.10031	0.6
181.12209	3.8
182.15369	1.0
187.03944	0.5
187.07507	0.6
189.05406	0.6
189.09073	0.7
190.07759	1.7
191.03375	59.8
192.03732	3.5
193.08524	3.8
193.09966	0.5
194.07263	2.9
195.08080	1.1
197.04361	1.6
201.09064	2.3
203.03375	3.3
203.08493	0.8
204.09238	0.7
205.04881	1.8
205.06476	1.7
205.10187	2.8
206.07227	0.7
207.02811	1.1
207.08015	2.6
208.08617	0.7
209.06030	1.1
209.09602	1.1
209.16464	15.8
210.14848	1.0
211.07481	1.2
211.14987	0.7
215.08522	0.9
218.07224	1.3
219.02734	0.5
219.08015	1.2
219.10114	7.5
221.04259	4.0
221.06154	1.1
221.09543	1.1
222.06711	3.2
222.10298	0.9
223.07530	1.1
224.08229	1.6
225.08995	0.7
226.19072	0.6
227.17517	5.0
229.18138	0.6
229.68018	0.6
232.08760	1.0
233.04205	0.8
233.06183	0.8
233.09586	5.8
234.06714	0.8
234.10387	1.3
235.07452	4.2
236.08255	1.0
237.05412	1.1
237.09158	4.4
239.06947	1.1
239.10594	1.0
241.08394	1.1
247.07538	0.8
249.05325	0.6
249.08992	1.4
250.06242	2.8
250.09804	1.7
251.06921	1.8
251.10591	0.8
252.07658	1.7
253.08517	1.3
254.09198	1.0
261.09094	3.4
262.09766	1.1
263.06982	1.4
264.07703	2.0
265.08542	9.6
265.12097	3.5
266.08957	1.9
267.06360	0.7
267.10049	4.8
269.07925	4.2
277.08643	1.0
278.09366	2.8
279.10141	1.6
279.23447	1.0
281.08078	1.3
281.11404	0.6
282.08743	2.6
283.09628	1.1
283.13068	0.7
284.10370	2.5
284.13220	0.5
293.11685	9.9
294.12177	1.1
295.09482	2.0
296.10315	0.9
297.08157	0.7
297.11185	14.3
297.14459	0.8
298.11331	1.0
299.09320	0.8
299.12714	14.6
300.13116	0.8
310.08487	0.7
310.11853	1.9
311.09106	0.7
311.12708	14.0
312.12994	1.9
325.06778	0.9
325.14313	10.5
325.29541	1.1
326.14590	1.0
328.12515	4.4
343.08243	20.5
343.15176	31.1
343.30634	92.4
344.08371	1.8
344.15564	1.7
346.30847	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55233	0.6
55.01873	1.8
55.05509	10.9
55.86696	0.7
57.03447	0.8
67.05508	1.2
68.99787	1.1
69.03439	0.9
69.07043	0.7
71.59980	1.3
79.05484	3.7
81.03438	0.7
81.07054	3.7
82.06564	0.8
83.05022	0.7
83.08611	11.0
85.02890	3.8
87.02674	0.7
89.27817	0.6
91.05477	5.3
93.03398	0.8
93.07040	2.1
95.04967	3.5
95.08604	1.1
97.02882	1.6
97.06572	0.8
98.09711	0.8
99.04474	0.8
100.11250	100.0
101.11589	1.6
103.05463	4.1
105.07028	5.3
107.04948	6.2
107.08601	1.5
107.30237	0.6
109.06504	1.3
111.04456	2.2
115.05443	3.3
117.03396	1.1
117.07017	1.9
117.13869	1.8
118.82539	0.6
119.04951	3.7
119.08576	1.3
121.02927	0.8
121.06583	0.9
121.10115	2.3
122.03648	2.4
123.04416	12.7
123.08058	1.2
125.06023	1.2
127.08664	0.8
129.07031	1.5
131.04913	8.4
131.08510	0.7
131.40437	0.7
133.06511	2.5
133.10074	1.1
134.49496	0.6
135.04433	6.3
135.08064	1.3
135.11659	0.9
136.07756	0.7
137.02332	1.7
137.05969	39.7
138.06357	0.8
139.03947	0.7
139.08673	1.6
141.06981	1.4
141.61684	1.0
143.04961	1.1
143.08607	0.7
145.02774	0.9
145.06441	1.8
145.10132	1.9
146.03604	5.8
147.04390	9.2
147.08025	1.5
147.11649	1.1
148.04808	0.7
149.05986	3.5
151.03978	1.0
151.07539	5.4
153.05461	0.8
157.06432	0.7
158.07225	0.9
159.04395	1.1
160.05074	1.4
161.05972	42.0
161.13217	0.8
162.06400	1.4
163.03917	8.1
163.07535	19.4
163.11174	10.1
164.07973	0.7
165.05473	2.9
165.06995	1.3
165.09091	1.2
167.07005	0.6
169.06468	2.3
174.06802	1.2
175.03951	0.9
175.07541	29.6
176.07986	1.2
177.05449	2.4
177.09131	2.1
179.03394	4.0
179.08545	1.5
181.01270	0.6
181.08537	1.4
181.12213	3.1
187.07463	0.8
189.09126	1.3
190.07777	1.9
191.03380	65.6
192.03766	3.9
193.06779	0.8
193.08574	4.5
194.07233	3.3
195.07793	1.6
196.08476	1.0
197.04451	1.7
201.09088	5.1
203.03383	2.5
203.08521	1.7
205.04848	1.3
205.06500	3.2
205.10172	3.7
207.02885	0.9
207.08076	3.4
209.09592	1.9
209.16487	13.3
210.14972	0.8
211.07530	1.5
212.07813	0.8
213.09116	1.1
215.08551	1.4
218.07239	2.3
219.08002	2.0
219.10097	11.0
221.04138	3.5
221.06065	2.5
221.09526	1.2
222.06831	4.2
222.10184	1.4
223.07469	1.8
224.08322	2.0
225.08922	1.5
227.17567	4.9
232.08778	1.2
233.06131	1.8
233.09578	6.8
234.06921	1.4
234.10374	0.9
235.07555	5.6
236.08182	1.6
237.05457	1.7
237.09114	6.8
239.06960	1.9
239.10573	1.3
241.08528	1.0
249.05545	1.5
249.08971	1.8
250.06293	3.8
250.09743	3.5
251.06950	2.2
251.10591	1.4
252.07719	2.5
253.08519	2.2
254.09171	2.1
261.09085	4.3
262.09781	1.6
263.07010	1.9
264.07809	2.0
265.08585	16.9
265.12167	4.7
266.09094	2.7
267.06476	1.3
267.10080	6.6
268.07175	0.8
269.08099	5.9
269.10764	1.2
277.08514	1.4
278.09262	3.7
279.10101	3.2
279.23389	1.0
280.10825	0.7
281.08109	1.6
282.08762	4.4
283.09494	1.5
283.13107	1.5
284.10440	5.4
293.11682	11.7
294.12268	2.1
295.09595	2.6
296.10345	1.4
297.11200	21.4
297.14459	1.3
298.11615	1.1
299.12747	20.2
310.12079	3.6
311.09116	1.0
311.12720	19.9
312.13156	2.5
325.14328	13.8
325.29483	0.9
326.14673	1.0
328.12708	4.9
343.04837	0.7
343.08221	23.1
343.15222	45.2
343.30649	91.6
344.08633	3.1
344.15656	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1233
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
55.01872	11.6
56.96559	1.5
57.03429	8.0
61.02920	4.4
69.03423	30.9
71.04989	3.5
71.60480	2.5
72.08144	4.0
73.02905	7.2
81.03422	8.1
83.04971	1.9
85.02898	100.0
86.03225	1.7
87.04446	2.4
97.02885	31.1
99.04448	8.1
101.02373	5.6
101.06008	2.4
109.02876	9.5
111.04446	2.4
115.03921	3.2
118.08634	5.0
119.01817	2.0
127.03912	69.2
128.04242	2.9
129.05452	2.1
138.05429	2.4
145.04959	51.4
145.06120	2.5
147.06485	2.0
160.47557	1.4
163.06032	10.2
172.95271	4.8
180.06233	1.8
181.04887	2.0
190.96143	2.6
198.98643	1.6
344.09213	2.3
361.02805	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	343.0205
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96529	0.8
57.38994	0.3
69.80286	0.5
69.80700	1.8
72.75913	0.3
84.39031	0.3
98.97568	1.4
116.98598	2.6
119.01871	1.1
127.88997	0.3
134.99646	2.2
137.02927	0.8
142.03424	0.3
153.00713	0.5
158.96999	0.3
158.99924	0.4
159.06094	0.5
160.04509	0.3
177.00940	5.4
178.01031	0.9
179.00664	0.9
180.96767	0.4
182.99974	0.6
183.06139	1.9
192.98798	0.3
194.98386	0.3
201.00941	0.6
201.07204	2.8
205.79330	0.3
211.00089	0.4
216.98785	1.3
217.03958	0.3
218.03589	1.1
218.98660	0.5
219.01970	11.0
220.02075	2.7
221.01744	2.8
222.97890	0.6
229.00786	0.3
234.99959	9.4
235.99992	1.3
236.99551	0.9
240.98799	1.8
242.03555	0.7
243.01820	0.3
252.97586	0.8
253.01016	3.6
254.01108	0.4
258.99979	18.3
260.00070	2.5
260.04810	1.4
261.00021	0.9
261.03015	9.5
262.03143	1.0
263.02744	0.7
264.98730	3.2
265.99069	0.5
268.49973	0.3
277.01022	27.2
278.01093	4.8
278.03885	0.3
279.00882	1.6
282.99969	44.4
283.06406	2.5
284.00104	6.0
284.04330	0.6
284.99890	0.9
285.99973	0.4
291.99615	0.6
294.98508	0.3
300.02499	1.0
301.01022	100.0
302.01141	14.0
302.04105	0.2
303.01059	2.5
304.01126	1.0
318.98517	3.8
319.02103	8.1
319.98535	0.5
320.02191	1.2
321.01880	0.3
324.02637	5.1
325.00864	9.1
325.06815	0.4
326.00949	1.0
342.00024	0.5
342.03763	0.7
343.02087	54.9
343.07983	2.6
344.02234	8.3
345.02734	0.3
360.99902	1.9
361.03265	19.9
362.03351	2.4
366.03665	3.5
367.03998	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30045	1.4
53.03929	2.1
55.01861	6.0
55.05508	48.3
57.03436	1.5
59.04996	1.6
67.05502	19.6
69.03428	7.3
69.07063	32.8
71.04992	1.7
73.06560	1.7
79.05490	27.0
81.03378	2.2
81.07056	18.7
83.04977	4.0
83.08613	28.6
84.81351	1.3
85.02914	1.3
85.06561	1.9
91.05471	11.2
93.07036	16.1
95.04972	4.2
95.08592	11.3
95.47190	1.2
97.06525	5.3
97.10165	77.9
105.03405	1.4
105.07035	13.4
105.07695	1.9
107.04994	3.5
107.08587	91.1
108.08932	1.6
109.06508	3.1
109.10155	3.3
111.08100	3.0
116.98650	1.5
117.07006	5.4
118.05096	1.5
119.08545	8.1
121.06525	2.2
121.10140	5.3
123.08154	2.0
123.11662	1.7
125.09625	66.4
126.09966	1.6
128.59528	1.4
131.08569	4.1
133.10129	9.9
135.08044	16.1
135.11641	2.8
137.13263	2.0
143.10675	2.5
144.78117	1.5
145.10114	10.8
147.11699	8.8
149.09631	6.9
151.07458	1.9
153.09062	11.4
157.10075	1.6
157.12219	5.0
159.11713	5.5
161.09569	1.7
161.13249	3.7
163.11179	4.3
171.10167	4.3
171.11603	2.2
173.13292	3.7
177.12741	3.1
181.12251	2.0
185.11769	2.1
187.11032	2.8
187.14755	1.5
203.12769	100.0
204.13046	1.9
218.13756	1.7
229.19475	2.5
239.17986	4.8
257.19019	13.9
275.20047	41.5
289.21558	19.8
307.22668	16.4
343.18805	33.4
343.22604	4.4
344.57065	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.2
55.05510	11.3
56.96545	5.7
57.07072	98.3
61.02928	1.9
67.05509	7.8
69.03408	2.9
69.07056	8.6
70.73167	5.2
71.04982	1.5
72.22849	1.5
78.07234	1.7
79.05489	6.8
81.03395	1.8
81.07047	29.3
83.05035	1.6
83.08612	5.2
85.02901	1.9
85.06540	100.0
86.06841	2.3
89.08561	1.5
91.05493	8.9
93.07043	27.7
94.07394	2.8
95.04939	3.1
95.08606	30.5
97.06513	1.8
97.10144	5.3
99.04457	1.6
99.08074	3.9
105.07034	22.6
107.08590	31.8
108.26373	1.5
109.10148	14.0
115.27164	1.5
117.07027	2.5
119.08574	38.4
121.10156	14.9
123.11697	7.2
127.11131	2.8
131.08574	3.9
133.10121	14.6
135.11682	4.4
137.13248	2.9
139.14783	2.0
145.10092	11.1
147.11710	6.1
149.13251	19.9
151.11180	2.6
155.14290	8.4
159.11702	19.4
161.13243	3.0
163.11136	2.6
168.83093	1.5
173.13264	3.4
187.14896	2.8
189.16373	67.7
190.16747	2.3
197.19000	38.8
198.70599	1.6
203.85342	2.0
213.18565	2.2
215.17903	10.9
219.89957	1.9
261.22150	3.6
269.10495	3.5
269.17566	1.8
270.11078	2.4
271.24200	18.0
286.27802	1.7
287.11627	3.4
289.25235	56.0
290.25592	1.8
307.26352	6.0
342.29407	1.7
343.22360	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	9.1
55.05504	33.1
57.03430	11.1
67.05499	92.4
69.07065	71.6
69.95952	41.8
75.60429	7.4
79.05488	57.2
81.03423	16.7
81.07047	100.0
83.04987	19.3
83.08616	15.8
85.06544	15.5
91.05464	44.2
93.07032	71.5
95.04967	23.0
95.08603	73.4
96.08945	8.6
97.06522	30.0
99.08086	12.9
105.07030	54.4
107.04988	10.1
107.08596	35.0
107.86973	7.3
109.06532	9.8
109.10150	27.9
111.08109	10.5
117.06998	16.0
119.08559	47.9
121.10155	32.7
123.11739	12.4
131.08588	26.1
133.10139	49.0
135.08086	10.9
135.11652	54.6
137.09625	16.2
145.10141	26.5
147.11661	33.2
149.09547	9.9
149.13226	20.9
157.10158	16.2
159.11688	24.9
161.13344	9.8
163.11157	19.6
173.13280	17.1
175.14777	8.6
177.12790	10.7
178.09923	7.2
181.12257	24.3
187.14803	7.3
189.99115	9.3
192.55554	8.1
195.13805	21.9
213.14847	8.6
257.19125	11.0
275.04034	8.1
275.20041	56.2
286.32956	7.6
307.22598	11.4
332.77542	8.2
342.24710	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00876	0.4
52.08629	0.4
55.05259	0.5
55.05506	6.5
55.41995	0.3
56.04988	0.3
56.96550	0.4
57.07056	0.5
59.04979	1.1
62.06070	1.3
67.05476	1.0
69.03425	0.9
69.07050	1.7
70.06576	0.6
71.04992	0.4
71.08240	0.4
71.08627	7.3
71.60130	0.5
71.60512	0.5
72.08129	1.3
79.05470	1.5
81.07061	3.4
83.04977	5.9
83.07349	0.4
83.08598	1.1
84.04495	0.4
84.08122	0.9
85.02878	1.3
86.06065	4.0
87.04459	0.4
89.02441	0.4
91.05473	1.7
93.07024	1.6
95.04955	1.2
95.08596	3.4
96.08128	3.9
97.02888	0.5
97.06479	0.6
97.10153	0.7
98.06047	1.2
98.09689	6.1
99.04417	0.4
99.08092	4.1
101.06013	4.9
105.07020	1.4
107.04951	0.6
107.08566	1.6
108.08110	2.0
108.08775	0.5
109.06503	0.9
109.10126	1.0
110.09625	0.6
111.04443	5.0
113.05978	0.5
116.10724	15.7
119.08592	0.9
121.08861	0.4
121.10120	0.6
122.09662	1.9
123.04407	0.7
124.07598	0.8
125.05976	0.6
126.09132	0.6
127.07539	0.6
129.05473	3.1
131.04893	0.5
131.08565	0.5
133.10161	0.5
135.10406	0.4
135.11711	0.6
136.11206	0.4
137.05997	2.3
137.09692	0.3
139.03873	0.5
140.10640	0.5
140.59947	0.3
142.08633	1.4
143.10654	1.6
145.10075	0.8
147.04384	0.6
147.06471	0.8
147.11646	0.4
149.06012	0.4
150.12755	0.5
151.07471	0.4
153.01866	0.7
154.08620	1.4
154.12274	0.4
154.15894	3.4
155.07002	2.4
157.10088	0.6
161.05942	0.7
161.13287	0.4
163.11168	2.5
164.10649	0.5
164.14311	0.7
166.15898	2.3
167.07014	0.5
168.17473	0.8
170.73985	0.4
171.97955	0.3
172.09676	0.9
173.08150	2.3
174.06770	0.4
177.00703	0.4
177.05530	0.5
178.15857	2.7
179.03429	0.4
181.04974	0.5
181.06494	1.2
181.12169	1.7
182.15385	1.1
189.09065	1.0
191.07043	0.6
196.16959	10.6
197.17291	0.6
198.14917	0.7
208.13329	1.2
214.18004	100.0
215.18378	3.4
226.14366	14.5
226.98438	0.3
227.14685	0.6
244.15454	7.0
313.10666	0.4
324.21625	6.0
342.10553	0.5
342.14380	0.8
342.22757	8.7
343.08087	0.5
343.11658	1.3
343.15231	0.7
343.22964	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36223	0.6
55.01864	0.6
57.03432	5.4
59.04980	1.0
59.06114	0.5
61.02908	1.9
69.03431	3.4
69.61392	3.5
70.06562	0.8
71.04965	1.5
71.08624	5.6
79.05471	1.9
81.03403	1.0
81.07048	11.5
83.04984	0.7
85.02899	12.5
85.06519	1.7
91.03934	0.6
91.75410	0.5
95.04980	0.5
97.02889	2.8
98.20788	0.9
99.04437	0.7
99.08088	18.6
106.54581	0.6
109.02907	1.4
109.06502	16.5
117.09121	100.0
118.09470	1.2
127.03905	2.5
127.07542	43.8
137.24498	0.5
145.04956	1.5
145.08585	2.1
163.09647	34.6
164.10098	0.7
179.03413	2.4
180.03673	3.4
180.06483	0.5
180.10222	1.4
208.08061	0.6
210.37767	0.6
297.55267	0.5
343.13748	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	342.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83256	0.6
55.01872	0.8
55.05509	7.1
56.30802	0.6
57.03429	0.9
57.06828	0.9
57.07073	11.8
59.04984	1.3
61.02906	2.0
69.03410	2.6
69.96315	1.8
69.96725	1.3
76.62751	0.6
80.70812	0.7
81.03411	1.9
83.08631	3.4
85.02904	13.9
86.09684	0.9
89.06030	28.6
97.02899	3.7
98.86932	0.7
99.04449	0.7
101.09649	12.3
103.33801	0.5
107.07064	30.8
109.02869	1.1
127.03899	2.0
137.58493	0.6
142.12233	0.9
142.33623	0.5
145.04921	2.0
145.12163	0.7
153.01872	1.1
163.13287	100.0
164.13588	1.4
165.32689	0.6
179.37993	0.5
194.47990	0.6
241.04997	1.7
269.04477	2.6
297.03891	2.6
331.17746	0.6
331.91437	0.6
332.48816	0.6
342.06113	10.3
343.04376	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	342.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
57.03437	6.7
59.04991	0.8
61.02913	2.7
64.47664	0.6
69.03433	4.5
70.18798	3.6
71.04984	2.6
71.08631	7.0
73.02905	1.0
73.06552	2.0
79.05486	1.8
81.03410	1.5
81.07055	13.3
83.05011	0.7
85.02902	14.1
85.06532	2.3
88.31316	0.7
91.03961	1.6
91.05805	0.8
97.02884	3.4
99.04482	1.2
99.08089	21.6
106.61115	0.8
109.06512	17.7
117.09126	100.0
127.03900	2.8
127.07548	45.4
134.11168	0.7
145.04938	2.7
145.08623	2.4
153.01793	0.8
162.07625	0.8
163.03905	1.3
163.09660	30.8
175.66309	0.7
179.03413	1.0
180.03468	0.8
180.06418	0.9
180.08691	5.3
180.12286	7.0
232.96967	0.6
317.81357	0.8
343.13742	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.05497	0.8
57.03430	6.1
59.52825	0.6
61.02909	2.0
61.90371	0.6
65.07364	0.6
68.24242	0.6
69.03409	2.7
69.67543	0.6
71.04973	2.1
71.06088	1.7
71.08633	5.4
79.05488	1.3
81.03437	0.8
81.07053	11.6
85.02903	11.1
85.06541	1.8
94.77608	0.6
97.02888	3.0
99.07479	1.2
99.08090	19.1
109.02901	1.0
109.06509	15.7
117.09126	100.0
118.09442	1.8
126.64061	0.7
127.03905	2.3
127.07549	37.0
145.04945	3.0
145.08615	1.2
163.03941	1.7
163.09650	29.1
180.08655	5.5
180.12312	5.8
188.08400	0.7
193.50826	0.8
210.77080	0.7
245.84555	0.6
254.75356	0.7
283.38574	0.6
327.45844	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.116
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	0.6
57.03416	0.6
60.47791	0.5
61.02916	0.6
69.03434	1.9
70.06596	0.7
70.13055	2.0
70.13400	0.4
72.08123	0.4
81.03383	0.4
83.04955	0.4
85.02898	3.9
89.09350	0.4
93.46178	0.3
94.32776	0.5
96.90265	0.4
97.02873	2.1
98.97556	0.7
99.04366	0.5
107.13644	0.4
109.02839	0.7
112.07565	0.5
119.01849	0.6
125.02325	0.4
127.03891	1.6
134.99510	0.5
137.61610	0.4
138.05455	0.4
145.04930	1.1
153.01823	4.2
154.02144	0.5
160.43452	0.4
161.02913	0.6
167.07034	0.4
173.02960	0.6
180.06303	100.0
181.06595	1.3
185.04210	0.9
190.09299	0.5
214.09241	0.4
220.02048	0.4
221.08777	0.5
342.11584	48.2
343.11688	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42007	0.2
54.37635	0.2
57.03436	0.5
61.02909	0.6
65.03943	0.5
68.99763	0.3
69.03418	1.4
70.06589	0.2
71.08620	0.6
71.59441	0.4
73.02881	0.2
79.05482	1.0
81.03410	0.7
81.07034	0.9
85.02898	3.0
85.06537	0.3
87.04463	0.2
89.03922	0.4
91.05450	0.3
92.04984	0.6
94.06551	0.4
95.04925	0.5
96.04424	0.2
97.02884	1.0
99.04444	0.3
99.08112	1.4
104.50060	0.2
106.06541	1.0
107.04927	0.9
108.84222	0.2
109.02840	0.3
109.06507	1.1
110.06052	0.3
111.05530	0.5
116.04980	0.7
117.09129	7.2
120.04465	8.7
123.04407	0.4
127.03905	0.7
127.07556	3.0
134.06003	2.6
135.04398	0.3
138.05455	0.5
139.05020	0.6
140.14726	0.2
144.04427	1.0
145.04927	0.6
147.04373	0.3
148.07588	0.3
151.03802	0.2
152.07065	0.3
153.01833	0.2
162.05499	100.0
163.05846	1.9
163.09657	3.0
167.07028	0.8
179.03474	0.3
180.03957	0.3
180.06549	5.9
195.11258	1.8
324.15573	0.7
342.11707	0.6
343.07596	0.3
343.13742	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3198
Annotation	stellata-2,6,19-triene
Peak:m/z	Relative Intensity
55.05508	12.4
57.07058	12.7
64.37702	2.3
67.05498	20.9
69.07062	35.9
69.96352	9.3
71.08604	6.5
79.05490	10.9
81.07047	100.0
83.08620	16.0
83.87370	2.7
85.10156	4.2
91.05468	7.1
93.07022	25.7
94.64408	2.3
95.04968	3.3
95.08599	73.9
97.10174	4.6
105.07020	23.0
107.08586	34.1
109.10147	45.4
111.11658	3.1
113.51065	2.8
119.08566	21.0
121.10133	33.8
123.11694	24.7
124.59009	2.4
125.13185	3.3
125.58857	2.8
131.08517	4.0
133.10147	13.0
135.11658	21.9
137.13191	15.0
145.10123	9.4
147.11664	20.6
149.13249	24.5
159.11668	8.5
161.13266	18.7
162.28937	2.3
163.14777	14.8
173.13264	5.6
175.14832	7.3
177.16386	10.8
187.14848	3.7
189.16379	14.0
191.17944	10.7
201.16351	3.3
203.18002	20.0
205.19536	4.3
215.17926	7.4
217.19527	21.3
229.19545	4.3
231.21066	7.5
257.22720	2.8
259.24197	3.5
271.24313	4.6
285.25681	4.4
299.16959	3.1
341.32050	75.2
342.32339	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	342.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
69.97759	0.3
70.73194	0.8
85.02895	0.9
91.05798	0.3
109.02879	0.3
110.07168	1.3
120.08060	0.5
123.04392	0.6
135.07956	0.3
139.03996	0.3
140.07042	0.3
153.01750	0.6
162.05473	0.6
179.03340	0.7
180.06306	100.0
181.06636	1.3
185.04185	0.7
190.09174	0.4
193.10915	0.4
210.13492	1.0
221.08971	0.4
226.09207	0.5
296.34549	0.3
342.11572	42.2
343.11920	0.8
350.01999	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05267	3.5
55.05507	52.2
57.07071	52.3
67.05494	20.4
69.07065	100.0
71.04971	3.0
71.08624	44.1
79.05468	7.3
81.07053	52.2
83.04974	3.5
83.08611	71.9
85.06522	11.1
85.10190	21.5
91.05463	8.5
93.07024	14.2
95.08601	55.3
95.65357	2.9
95.94968	2.8
97.06517	13.9
97.10168	52.7
105.07050	16.1
107.08589	28.4
109.06499	3.8
109.10155	31.4
111.08092	9.8
111.11706	35.5
115.07579	7.9
119.08605	22.1
121.10160	16.9
123.08075	4.6
123.11720	19.1
125.09570	4.9
125.13251	10.1
127.07565	6.4
129.09116	5.7
131.08519	5.7
133.10121	20.0
135.11674	18.6
137.09567	8.5
137.13239	8.9
139.11171	9.6
139.14801	7.7
147.11653	17.2
149.13226	9.8
151.07571	3.5
151.11166	8.9
151.14754	5.7
153.12756	5.3
153.16348	3.2
155.10605	4.8
159.11687	3.6
161.13243	14.6
163.14775	6.4
165.12769	17.6
167.14255	5.2
169.12213	7.8
171.13831	5.1
173.13202	3.0
175.14737	5.9
177.16351	7.5
179.14206	17.0
183.13846	6.6
185.15334	3.6
189.16396	6.1
193.15903	7.6
197.15414	6.3
207.17596	5.1
207.21024	4.0
209.18869	4.6
211.16853	4.8
227.20151	4.6
229.57983	5.1
231.21159	3.7
263.27246	8.8
287.27335	6.1
305.28336	13.3
314.57861	3.3
323.27115	5.6
341.27438	10.5
342.37247	13.5
344.94183	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
53.10520	1.6
55.05504	19.9
57.07088	3.2
59.05004	3.1
59.90635	1.6
62.75798	1.4
67.05502	23.3
69.07061	17.5
70.02970	4.5
70.03387	3.9
71.04989	17.5
77.03904	2.4
79.05490	18.5
81.07052	95.4
83.08617	9.1
85.06533	8.3
91.05466	19.8
91.34741	1.6
93.07036	75.4
95.04970	7.0
95.08602	77.3
97.06503	3.0
97.10184	9.8
105.07021	46.5
107.08585	63.8
109.06512	13.5
109.10154	41.1
111.08082	15.1
111.11726	2.9
113.09608	3.5
117.07011	7.2
119.08575	100.0
121.10135	65.3
123.08080	2.9
123.11710	19.1
129.06984	2.6
131.08559	20.5
133.10121	24.0
135.11685	32.6
137.09598	8.4
137.13235	6.3
139.11203	2.1
143.08563	7.9
144.09303	2.5
145.10112	29.5
147.11674	22.1
149.09579	4.0
149.13251	47.0
151.11221	5.1
155.08560	2.2
156.09386	2.1
157.10109	13.4
159.11688	42.8
161.13255	26.8
163.11209	3.7
163.14801	34.3
169.10138	4.4
171.11635	11.3
173.13263	30.7
175.14853	14.1
177.12788	5.1
177.16373	5.9
179.14322	4.1
183.11768	2.9
185.13239	7.8
187.14844	28.8
187.39798	1.7
189.16356	16.9
191.14403	2.3
191.17929	35.6
191.19572	2.9
197.13290	2.8
199.14871	7.4
201.16347	11.6
203.14221	1.9
203.17987	6.1
211.14848	5.3
213.16371	14.3
215.17900	13.8
217.15852	2.9
217.19542	3.0
225.16376	5.0
227.17921	16.8
228.87993	1.7
229.19560	8.5
231.17482	3.2
231.21120	1.9
233.18878	2.0
239.18021	4.5
241.19565	6.5
245.18945	2.6
253.19600	5.5
255.21147	4.4
257.22629	11.1
267.21063	8.9
271.24344	4.6
281.22760	4.6
283.24191	58.3
284.24637	2.7
297.25726	4.0
323.27322	56.9
323.31125	3.5
341.28394	74.2
342.28745	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.05506	24.2
55.18332	1.8
57.03427	2.0
57.07066	16.4
61.51934	1.8
67.05498	30.1
69.03419	3.5
69.07063	40.3
69.91412	12.8
71.04984	6.8
71.08616	3.2
79.05492	17.3
81.07050	100.0
83.04979	2.8
83.08624	14.1
85.06531	12.5
91.05484	11.7
93.07040	48.5
95.04962	7.1
95.08601	87.5
97.06525	10.2
97.10185	17.4
99.08083	4.6
105.07018	27.5
105.21313	2.3
107.08585	44.7
109.06506	16.2
109.10150	51.9
111.08097	11.6
111.11699	7.4
119.08589	21.8
121.06473	4.9
121.10133	35.9
123.08058	5.7
123.11703	37.2
125.09635	11.5
129.06989	3.9
131.08577	4.6
133.10124	14.3
135.08044	7.5
135.11691	24.9
137.05959	12.6
137.09581	8.9
137.13268	8.2
139.11169	7.4
143.08513	2.7
143.10727	2.6
145.10083	6.4
147.07845	2.2
147.11668	13.8
149.09589	3.0
149.13261	29.4
151.11176	6.3
151.14841	3.5
153.01808	2.1
153.12770	3.5
157.10117	4.8
157.12308	2.3
159.11691	7.3
161.06001	5.1
161.09576	3.8
161.13243	12.3
163.14809	12.6
165.12750	5.9
171.11613	2.3
173.13251	4.5
175.07544	4.2
175.11191	3.0
175.14835	8.7
177.16354	9.1
179.06015	2.4
179.14336	2.7
179.17964	5.1
187.07582	5.2
189.05479	2.6
189.16414	8.6
193.15898	4.5
197.18993	6.3
203.17958	3.3
205.15836	2.8
209.15292	3.4
213.16379	3.7
215.17905	3.0
231.08052	2.4
249.18686	3.2
257.22659	5.1
259.24222	6.0
263.23889	2.2
275.23669	8.0
277.25266	12.5
287.23581	12.3
293.24725	29.4
305.24713	42.6
309.10950	3.9
311.25781	4.3
323.12912	2.4
323.25735	13.5
327.55811	2.4
341.10080	4.8
341.13751	6.9
341.19611	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	341.2683
Annotation	Officinoic acid A
Peak:m/z	Relative Intensity
53.03940	3.8
55.05501	32.7
57.03429	2.3
57.07051	8.4
67.05235	2.0
67.05500	24.8
69.07059	45.2
69.38117	15.6
69.38535	9.5
71.04980	5.3
71.08618	3.3
78.93002	2.1
79.05490	16.2
79.82125	3.0
81.07046	100.0
83.04964	4.4
83.08613	18.0
85.06533	10.2
91.05435	12.2
93.07034	46.8
95.04919	3.1
95.08597	80.3
95.16499	2.7
97.06504	7.0
97.10156	28.8
99.08103	3.2
101.06593	2.3
105.07014	19.2
107.08581	49.3
109.06484	4.2
109.10138	42.6
111.08046	10.2
111.11706	8.5
119.08555	17.4
121.10136	33.0
123.08036	3.8
123.11696	68.4
124.70306	2.5
125.09591	9.0
131.08528	2.7
133.10158	11.7
135.11684	20.8
137.06017	5.7
137.13229	14.1
139.11165	14.3
143.10643	5.5
147.11664	11.5
149.13248	45.7
151.11172	4.3
153.12709	3.8
157.12257	11.7
159.11646	3.8
161.13194	6.9
163.14836	13.0
165.12784	3.3
173.13297	4.2
175.11176	3.8
175.14799	4.7
177.16359	7.6
187.07542	2.7
189.16422	4.6
223.16920	3.6
259.24289	2.9
269.22662	3.9
275.23599	7.3
277.25214	9.3
287.23633	5.1
293.24731	15.7
305.24750	35.6
311.25745	3.9
323.25833	18.0
341.10049	3.8
341.13745	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	341.2684
Annotation	(E,E,E)-3-(Hydroxymethyl)-7,11,15-trimethyl-2,6,10-hexadecatriene-1,14,15-triol
Peak:m/z	Relative Intensity
53.03932	1.7
55.05512	18.9
55.12032	1.5
57.03445	1.7
57.07075	7.5
57.42180	1.3
59.04991	2.6
67.05495	16.3
69.03417	4.2
69.07063	46.3
69.37851	3.5
69.38261	13.4
71.05002	2.6
79.05485	13.6
81.07056	78.5
83.04964	3.9
83.08622	8.8
85.06540	10.8
85.75417	1.3
89.99606	1.4
91.05464	4.1
93.07050	24.0
95.04946	4.7
95.08597	39.8
96.08950	1.6
97.06538	4.4
97.10165	29.9
99.08116	1.7
103.05463	1.6
105.07026	12.4
107.08589	27.2
109.06529	3.3
109.10149	20.1
111.08074	3.8
111.11716	7.6
113.09623	1.6
115.06170	1.6
115.11243	1.8
117.07089	1.9
119.07761	1.3
119.08562	7.9
121.10144	20.1
123.11702	100.0
124.12022	2.1
125.09602	2.1
129.06985	1.7
131.08582	2.1
133.02869	1.8
133.06519	2.0
133.10110	5.5
135.11679	6.5
135.29630	1.5
137.05997	7.0
137.13255	9.4
139.11176	20.3
143.10699	1.4
145.10088	1.7
147.11656	5.4
149.13264	26.0
155.14288	1.6
157.12233	20.2
161.09560	2.1
161.13313	2.6
163.14847	3.5
165.09114	1.6
165.12733	2.5
173.13130	2.1
175.07463	1.9
175.14825	1.6
177.16444	2.7
187.07593	2.0
192.18330	1.4
203.08641	1.7
203.12729	7.5
203.17769	2.9
221.19057	2.1
249.18459	3.0
269.22495	2.0
277.25284	1.5
287.23746	2.9
293.24640	8.7
305.24747	31.4
323.25772	12.5
341.13843	4.1
341.21048	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	341.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17201	3.9
55.05509	31.9
56.96567	9.2
57.03432	3.7
57.06875	3.0
57.07077	40.3
59.04983	5.6
61.02922	6.7
67.05501	37.5
69.03435	10.7
69.07063	44.2
71.04991	13.0
71.08604	5.5
71.18535	8.8
73.02914	5.9
73.06538	4.1
79.05482	20.3
81.03401	7.1
81.07056	100.0
83.04984	7.7
83.08591	17.7
85.02887	17.4
85.06545	39.5
91.03960	4.0
91.05462	19.1
93.07034	31.1
94.51942	3.5
95.04976	9.4
95.08604	62.0
97.02896	9.5
97.06516	7.8
97.10172	23.8
99.08114	6.4
105.07031	36.0
107.04933	7.8
107.08583	42.0
109.06502	41.2
109.10155	44.7
111.04410	5.0
111.08034	7.2
111.11718	5.9
115.05437	6.5
116.98611	5.1
117.07059	4.7
119.08585	25.7
121.06445	17.6
121.10163	27.7
123.04454	5.0
123.08094	8.4
123.11700	91.9
125.09632	4.3
127.03909	6.7
128.06232	3.9
129.07025	8.5
131.08554	10.2
133.06461	5.1
133.10109	22.4
135.08044	42.0
135.11691	15.2
137.05972	40.8
137.13239	10.0
139.11165	15.8
143.08534	7.9
145.06430	4.1
145.10114	10.9
147.07951	4.9
147.11697	14.9
149.09599	10.3
149.13286	18.7
155.04961	4.2
157.10097	10.8
157.12242	10.6
159.08025	8.4
159.11714	10.1
161.05971	13.1
161.09621	15.5
161.13226	7.7
163.11180	5.3
163.14905	4.7
165.12828	4.8
167.07034	11.0
171.11635	8.0
173.13245	7.6
174.71169	4.0
175.07558	12.2
175.11209	13.1
175.14697	4.2
177.05493	8.9
179.17909	14.1
183.11630	5.2
187.07544	22.2
187.14680	4.5
189.07005	4.0
189.12614	4.8
191.08586	4.6
197.18983	35.9
203.17941	4.2
213.16360	6.6
231.08046	5.4
233.18962	4.2
249.18524	7.3
251.06850	4.5
251.11029	8.4
263.10565	5.4
269.12253	16.5
269.22449	5.6
270.12711	4.6
275.94061	4.6
277.25232	3.7
279.10245	8.4
281.11694	13.0
291.10083	5.9
293.24677	4.6
305.24701	34.8
309.11288	13.7
310.11673	6.0
311.12845	10.1
313.10913	4.3
323.12842	6.5
323.25778	7.6
340.65488	9.0
341.10205	6.9
341.13766	32.6
341.20984	5.8
341.24722	15.1
341.28198	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	341.0864
Annotation	AESCULIN
Peak:m/z	Relative Intensity
50.64857	0.2
52.78115	0.2
53.03946	0.2
55.88545	0.1
61.02903	0.3
69.03433	0.8
71.23779	0.4
77.03918	0.2
79.05495	0.2
79.70957	0.2
81.03394	0.5
82.98289	0.1
85.02894	1.8
89.03903	0.3
95.04929	0.2
97.02868	0.7
105.03378	0.2
107.04928	0.2
109.02888	0.4
117.03338	0.3
119.04913	0.3
120.25845	0.2
123.04419	8.1
127.03890	0.3
133.02835	7.4
135.03711	0.1
135.04411	1.5
139.03894	0.3
147.04410	0.5
148.04741	0.2
149.04944	0.2
151.03893	3.2
153.01782	0.2
179.03377	100.0
180.03729	1.1
260.14456	0.2
267.72479	0.2
274.04990	0.2
298.10846	0.2
329.67746	0.2
341.08640	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	4.6
65.03947	1.0
67.05499	6.1
69.03410	1.5
69.07079	2.4
69.43399	10.2
71.04970	4.4
71.79848	1.1
76.06283	1.1
79.05486	6.2
81.07050	9.9
83.04973	2.3
83.08579	2.2
85.06534	14.2
87.62724	1.1
91.05460	7.5
93.07031	19.1
95.04969	3.5
95.08595	21.9
99.08099	2.2
105.07014	12.4
106.88923	1.2
107.08585	9.6
109.06506	3.8
109.10149	5.3
111.04466	2.3
111.08022	2.8
113.09626	2.2
117.07005	2.8
119.08572	13.0
121.06524	2.2
121.10130	7.2
123.08041	12.0
128.06192	1.4
129.06993	2.5
131.08557	5.5
133.10126	10.2
135.08069	6.0
135.11684	2.2
137.05943	3.1
137.09636	3.0
143.08559	3.4
145.10083	15.8
147.11656	3.4
149.09627	3.2
151.07530	100.0
152.07899	1.2
157.10129	2.8
159.11676	4.9
160.69495	1.1
161.09679	1.5
161.13286	3.4
163.07487	1.9
163.11192	1.6
165.09111	4.6
168.02908	1.2
171.07991	1.5
171.11636	1.3
173.09554	2.8
173.13228	3.0
174.06935	1.5
175.07594	6.9
175.11147	1.7
176.08324	2.1
177.09138	5.3
177.12656	2.0
183.11644	1.5
185.09605	1.5
185.13181	2.6
187.07573	1.3
187.11206	1.8
188.08322	1.7
189.09122	16.2
191.10678	20.0
191.14299	4.0
195.11739	1.8
197.13199	1.3
201.09058	8.9
201.12723	1.5
202.09833	1.6
203.10663	7.3
203.14342	3.0
205.12297	2.4
211.11153	1.7
213.09137	3.0
213.12640	1.6
214.09952	1.8
215.10689	7.4
217.12276	3.8
223.11198	1.6
225.09061	1.3
226.09828	2.8
227.10629	6.2
228.11482	2.2
229.12247	17.4
239.10583	3.0
239.14308	2.8
241.12222	7.2
242.12947	2.0
243.13853	2.8
249.12650	1.7
252.11462	1.8
253.12225	3.3
255.13849	4.0
255.17491	1.7
256.14578	2.9
257.15311	11.1
265.15909	3.1
267.13773	4.6
268.14505	3.6
271.16873	1.3
283.16888	17.5
305.18964	2.2
323.20096	10.4
341.21066	48.0
341.24530	1.9
341.27844	2.4
342.21274	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03951	2.3
55.05509	16.7
56.96551	5.2
57.07071	3.1
61.02919	3.8
64.08650	2.4
67.05492	5.9
69.03408	3.2
69.07046	3.8
70.78004	4.9
72.28305	2.4
79.05491	3.2
81.03402	2.9
81.07037	20.1
83.04979	100.0
91.05434	6.6
93.07024	8.3
95.04963	2.7
95.08611	15.7
97.02873	3.2
97.10184	5.7
105.07024	10.6
107.08587	5.5
109.10154	7.9
119.08596	13.1
121.10117	4.3
133.10123	5.1
135.11705	3.5
137.05969	3.9
137.13379	2.7
147.11732	4.1
150.97595	2.9
151.07574	2.6
178.05814	2.6
189.16344	14.1
195.17497	13.1
255.08963	3.0
269.10266	5.6
269.22580	3.9
287.11569	5.1
287.23596	27.4
293.98563	3.0
313.36115	2.6
352.05423	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	339.2682
Annotation	3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol
Peak:m/z	Relative Intensity
50.31869	3.4
55.05516	19.0
56.96563	3.5
57.07065	7.0
67.05503	21.6
69.07078	18.9
69.32508	34.1
69.32922	5.8
71.04992	28.8
71.08636	3.8
79.05480	25.3
79.18987	3.1
81.07056	100.0
81.11486	3.6
82.07359	5.7
83.04972	3.8
83.08617	8.4
85.06533	8.5
91.05491	33.4
93.06464	7.1
93.07034	92.6
95.04979	11.2
95.08595	74.9
97.06510	3.7
97.10139	7.6
101.25426	3.1
105.07025	83.7
107.08591	48.5
108.08913	3.8
109.06486	18.1
109.10150	30.0
111.08068	13.3
111.11655	4.2
117.07014	12.3
117.48453	3.5
119.07825	3.5
119.08571	93.0
121.10126	43.7
123.11659	13.9
129.06999	5.7
131.08557	38.9
133.10133	48.3
134.99649	5.5
135.08029	6.0
135.11682	14.9
137.09607	14.1
142.07716	6.7
143.08540	17.4
144.09276	3.6
145.10126	59.4
147.04414	4.3
147.11690	48.0
149.13266	9.8
155.08588	5.8
156.09224	4.6
157.10136	23.7
159.11678	67.0
160.12436	5.4
161.13242	37.5
163.14835	8.0
169.10068	7.8
171.11714	22.7
173.13275	29.2
175.10977	3.9
175.14806	5.2
177.05461	7.3
177.12758	10.5
183.11644	11.7
185.13277	16.6
187.14818	35.6
189.16368	36.5
195.11739	6.0
197.13271	7.5
199.14803	16.7
201.16457	9.9
203.17979	5.3
211.14812	12.4
213.16292	19.5
223.14743	5.3
225.16371	8.9
225.38774	3.8
227.17986	8.9
255.21080	12.6
265.19568	6.0
274.97562	6.2
281.22607	20.1
292.98511	7.9
295.24121	4.2
321.25769	13.4
339.23175	8.6
339.26819	98.6
340.27066	7.2
342.57608	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	340.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.3
55.05514	11.9
57.03429	4.5
57.07082	2.5
67.05502	47.3
69.03416	6.1
69.07069	9.9
71.04966	1.7
78.47524	2.1
79.05493	17.3
81.07053	48.3
83.04979	17.5
83.08619	4.8
85.06544	12.5
85.18919	1.7
89.49928	1.7
91.05479	35.0
93.07043	27.6
95.04957	6.9
95.08614	15.9
97.06520	3.5
99.08068	4.5
99.81489	2.1
100.11871	2.0
105.07024	40.9
107.04963	3.2
107.08585	42.6
109.06503	7.9
109.10150	60.6
110.10540	1.9
117.07015	3.1
119.08572	7.1
121.06517	2.1
121.10133	4.6
123.08053	5.7
123.11687	14.4
131.05003	2.3
131.08557	5.9
133.06490	3.8
133.10127	95.3
134.10486	2.9
135.08060	4.9
135.11707	2.0
137.09679	2.7
145.10123	5.4
147.11674	2.2
149.09598	6.0
149.13327	1.8
151.07544	33.5
151.11172	100.0
152.11569	2.9
157.10153	1.9
159.08104	2.2
159.11739	1.8
161.09604	3.0
161.13251	2.8
169.10164	1.9
171.11761	1.9
173.13225	2.0
177.09142	4.7
177.85786	1.8
179.10614	11.3
183.13794	33.3
189.09164	4.2
191.10696	8.2
201.09077	1.9
203.10625	2.8
211.13239	2.6
215.10606	3.6
229.12236	4.1
229.14320	3.4
241.12102	2.7
244.13528	1.8
245.19028	2.8
257.15369	3.6
263.20001	3.5
273.18484	6.3
283.16922	5.1
291.19577	11.4
305.21164	7.9
323.19995	3.0
339.77939	3.4
341.21017	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	339.2528
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03928	2.6
54.42726	2.5
55.01854	2.9
55.05499	15.9
56.96570	2.4
57.03421	6.9
57.07061	5.1
65.03914	4.4
67.05502	94.3
69.07071	16.5
70.88466	5.9
71.04992	2.9
79.05488	36.6
79.28110	2.4
81.03404	4.5
81.07051	100.0
83.04964	4.3
83.08602	6.3
85.02888	3.1
85.06530	4.4
91.05470	23.1
93.07040	54.6
95.04961	6.5
95.08598	94.3
97.06541	4.7
97.10168	4.6
98.20804	2.9
98.97559	3.6
99.08100	2.6
105.07028	26.9
107.08586	35.7
109.06496	5.6
109.10146	52.2
111.08080	3.8
116.98625	4.6
117.03354	5.3
117.07011	13.9
119.08576	19.9
121.06537	2.5
121.10145	42.8
123.11697	16.6
131.08545	23.0
133.10135	18.9
135.08096	3.2
135.11694	27.6
137.13264	3.8
145.02818	11.7
145.10098	19.6
147.04417	5.5
147.11693	16.6
149.13269	18.6
150.95836	2.8
159.11659	20.6
161.13260	4.7
163.11186	3.4
163.14854	8.7
165.12711	3.5
173.13246	19.4
177.05472	21.9
187.14760	7.1
229.19508	28.6
247.18150	5.6
247.20580	86.1
247.23148	4.5
248.20961	5.9
265.21652	7.6
274.97552	6.4
283.16940	6.8
292.98434	4.6
321.24463	14.8
339.08838	4.8
339.25253	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2529
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03951	2.4
55.05509	13.8
57.03445	6.5
57.07073	4.7
57.64983	1.5
65.03938	2.2
66.17301	1.4
67.05502	82.3
68.05826	1.3
69.07066	15.5
70.93539	1.9
70.93921	3.9
71.04996	3.7
75.04450	1.5
79.05492	38.5
81.07053	92.3
82.07413	2.1
83.04984	1.7
83.08612	8.4
85.06551	4.6
91.05479	21.3
93.07041	52.5
94.07411	1.8
95.04976	3.4
95.08603	100.0
96.08923	1.9
97.06511	3.9
97.10171	5.3
99.08100	2.5
105.07025	21.3
107.08593	37.1
109.06551	2.7
109.10151	53.0
111.08070	2.0
116.98608	1.4
117.07005	8.3
119.08571	21.8
121.10141	37.2
123.08037	1.9
123.11705	20.5
125.09667	2.2
131.08553	18.7
133.10133	19.2
135.11685	32.8
137.13235	3.7
139.11162	3.1
143.08571	1.9
145.10117	19.9
147.04401	2.8
147.11691	17.5
148.12122	1.5
149.09648	1.4
149.13257	19.8
151.11240	2.6
159.11682	22.0
161.13232	7.0
163.11232	1.6
163.14806	6.9
165.12787	3.0
171.11563	1.5
173.13280	15.9
175.14819	2.1
175.93092	1.5
177.05409	1.7
177.12709	1.9
187.14830	9.2
189.16487	1.8
201.16440	2.4
219.21111	5.2
229.19493	29.8
230.19749	1.5
232.96318	1.2
247.20570	91.4
248.20950	4.7
265.21622	7.6
274.97562	2.7
292.98566	2.3
303.23062	1.5
321.24255	17.6
322.27518	1.8
339.25220	28.4
340.25809	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	339.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78061	1.7
55.05505	14.7
56.96548	2.5
57.03397	1.9
57.07068	8.5
57.14506	1.6
61.02900	1.7
61.75607	1.5
65.03944	1.6
67.05504	11.9
69.03415	6.8
69.07065	17.0
75.79367	1.5
79.05482	9.3
81.03405	11.1
81.07052	36.3
83.04980	21.1
83.08626	13.3
85.02880	4.2
85.06552	8.4
88.32182	1.7
89.03908	5.8
91.05470	5.5
93.07055	11.8
93.92222	1.8
95.04932	2.7
95.08597	32.0
97.02895	2.0
97.06506	3.9
97.10155	11.9
98.20760	3.4
99.04490	2.9
105.07016	12.8
107.04971	2.1
107.08588	18.8
109.02839	4.1
109.06525	6.2
109.10154	17.4
111.08047	3.3
111.11682	4.5
115.05460	2.9
117.03363	14.2
117.06989	4.4
119.08565	9.2
121.06487	10.8
121.10120	8.5
123.04388	2.4
123.11694	9.7
125.13297	2.0
127.03921	3.6
127.07513	2.7
131.08539	2.3
133.10085	6.9
135.04370	2.5
135.08044	92.5
135.11658	4.7
136.08395	3.7
137.05966	2.8
137.09654	2.0
137.13181	10.3
139.11188	1.8
143.08521	2.8
145.02831	44.9
145.10101	6.0
146.03178	2.3
147.04414	8.4
147.07968	2.9
147.11658	4.5
149.05995	6.7
149.09570	1.7
149.13246	4.7
151.11134	3.5
151.14798	2.9
155.14342	3.4
159.08099	3.3
159.11649	5.3
161.09616	3.8
161.13275	4.2
163.11153	2.8
165.40358	1.6
168.54105	1.9
169.10124	2.1
172.95496	1.6
173.09599	6.8
177.05453	100.0
177.16434	2.0
178.05801	5.6
179.14304	2.1
181.13774	2.1
187.11206	2.2
187.14766	2.0
195.06538	3.3
195.17432	3.5
201.16400	5.7
211.14842	3.3
229.15938	22.1
235.07460	1.7
247.07385	2.1
247.16826	2.8
279.10010	2.8
303.23260	15.8
303.26553	3.7
307.09506	4.7
311.12775	3.0
321.09793	8.7
321.24298	3.4
321.27667	8.5
339.12396	10.2
339.22784	3.7
339.29239	2.2
340.16440	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2528
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
50.18955	0.6
53.03938	0.8
55.05508	42.7
56.05835	0.9
57.03423	0.7
57.07063	2.3
59.09425	0.7
65.03966	0.8
67.05501	5.8
69.03423	3.2
69.07063	21.0
70.17182	1.2
70.17580	1.8
71.04985	1.5
73.02908	0.8
79.05504	3.6
81.03409	1.8
81.07050	23.0
83.04973	2.0
83.08615	2.9
85.02911	0.7
85.06531	3.7
87.08089	1.1
89.03916	1.0
91.05472	4.3
93.07040	8.9
95.04958	2.8
95.08601	21.9
96.08931	0.9
97.02921	0.7
97.06525	2.2
97.10162	100.0
98.10503	3.0
99.04459	0.8
99.08092	1.2
101.06000	3.3
105.07037	7.7
106.66376	0.7
107.04988	0.6
107.08588	8.1
107.18546	0.7
107.43346	0.6
107.97581	0.6
109.02835	1.0
109.06511	2.0
109.10146	10.4
111.08105	3.1
111.11709	3.7
113.09629	0.8
117.03365	2.9
119.08562	7.1
121.06516	1.0
121.10145	7.4
123.04391	1.0
123.07992	0.8
123.11689	7.8
125.09626	20.4
125.10555	1.0
131.08524	1.3
133.10109	4.1
135.08125	0.6
135.11679	7.2
137.09590	1.6
137.13258	2.1
139.11171	8.2
142.00986	0.7
143.10663	42.6
144.11024	0.9
145.02829	10.4
145.10071	3.2
147.04382	1.2
147.11688	5.4
149.05978	1.3
149.09613	0.9
149.13232	4.3
151.07605	0.7
151.11162	1.8
151.14819	2.2
153.01804	1.0
153.12737	1.4
155.10625	0.6
157.12238	6.0
159.11685	2.9
161.13297	4.1
163.11227	1.2
163.14793	1.0
165.12761	3.7
171.10184	3.0
171.11577	0.8
173.13289	1.6
175.11279	0.6
175.14740	1.7
175.93747	0.6
177.05452	18.6
177.12770	2.3
178.05748	1.0
187.13298	0.6
187.14850	2.1
189.11209	14.3
189.12881	1.0
195.13783	0.8
203.17999	1.0
219.08044	0.9
247.07666	0.8
257.22638	0.8
267.21088	1.4
275.23706	1.8
277.21729	1.8
285.22223	2.0
293.24829	0.9
303.23172	13.1
303.26382	1.2
307.09637	1.1
309.24252	4.5
321.09686	2.0
321.24234	25.0
322.24567	1.6
339.12305	3.8
339.25223	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	339.1072
Annotation	p-Coumaroyl quinic acid
Peak:m/z	Relative Intensity
52.92587	0.3
65.03938	0.6
69.52838	1.3
69.53252	1.0
71.63889	0.3
83.04953	0.3
91.05477	7.7
96.41299	0.3
119.04939	18.9
119.99501	0.3
145.02829	0.5
147.04402	100.0
148.04724	1.0
152.53746	0.3
177.05511	0.5
184.95799	0.3
212.06985	0.3
321.09756	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1071
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
65.03912	0.8
70.61230	0.5
71.28706	1.0
79.56741	0.4
91.05470	10.3
119.04933	22.9
147.04395	100.0
148.04752	1.2
154.96356	0.4
157.40166	0.5
160.97209	0.4
217.90703	0.5
302.05148	0.5
325.02658	0.5
336.45499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1073
Annotation	p-Coumaroyl quinic acid
Peak:m/z	Relative Intensity
51.02399	0.5
53.01553	0.5
54.79892	0.5
65.03927	1.0
67.05500	0.6
69.03409	0.9
70.99946	1.3
81.03407	0.9
81.07047	0.5
85.02885	0.6
85.06549	0.9
86.06859	0.8
91.05478	10.1
98.97604	0.6
114.65712	0.5
117.03354	1.1
119.04935	26.1
120.05254	1.0
141.09059	0.5
145.02847	1.9
147.04401	100.0
148.04704	3.5
151.86537	0.5
177.05472	4.3
321.09869	0.8
339.10861	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1072
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
56.96550	0.3
59.68571	0.3
65.03931	0.9
71.07700	0.7
81.07062	0.3
83.04994	0.6
86.85905	0.3
91.05477	10.2
98.97578	1.1
108.42010	0.3
111.57460	0.3
116.98586	0.6
119.04939	23.1
120.05265	0.6
128.98633	0.3
133.06441	0.3
139.03903	1.1
147.04402	100.0
148.04732	2.8
151.03938	0.4
155.03403	0.7
177.00691	0.5
177.05502	1.7
203.03432	0.4
205.04950	0.5
215.03328	0.4
233.04475	1.0
237.02863	0.3
251.05519	0.4
295.04498	0.4
303.05124	0.4
339.07266	1.5
357.08521	0.7
358.08026	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2526
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
55.01855	3.9
55.05510	35.3
57.03426	2.8
57.07073	32.7
67.05496	21.9
69.03424	10.0
69.07066	35.4
69.43904	27.6
71.04989	21.0
71.08607	11.6
71.39729	3.0
73.06540	11.2
79.05474	10.6
81.03412	6.6
81.07047	61.4
83.04975	32.1
83.08615	8.7
85.02903	4.1
85.06538	29.5
89.03916	3.7
91.05476	14.3
93.07027	27.3
95.04949	9.0
95.08600	48.3
97.06548	6.0
97.10166	20.8
98.20586	2.8
99.02806	3.0
99.04403	3.1
99.08081	5.3
105.07008	21.5
107.08578	28.9
109.06517	30.6
109.10153	46.7
111.08059	6.9
111.11718	6.1
117.03366	19.8
117.07003	6.6
119.08572	23.0
121.06494	32.2
121.10137	42.1
123.08043	4.2
123.11700	33.9
125.09599	3.9
125.13299	4.5
130.02313	3.1
131.08577	4.1
133.10107	10.0
135.08046	81.2
135.11690	17.0
137.05986	4.0
137.09639	4.3
137.13264	7.0
139.11185	11.2
145.02829	43.6
145.06384	3.0
145.10097	12.8
147.04451	6.6
147.08066	6.7
147.11679	13.2
149.05951	5.1
149.09662	3.9
149.13235	9.7
149.97989	2.7
151.11137	5.5
153.12698	3.5
157.12308	3.1
159.08086	3.8
159.11690	11.3
161.09659	13.9
161.13263	8.8
163.11151	5.9
163.14891	4.1
165.12729	3.3
173.09610	11.8
173.13269	6.0
175.11182	9.4
175.14850	3.3
177.05449	100.0
177.16347	9.2
178.05789	6.3
181.12254	3.6
187.11249	4.1
187.14935	4.4
195.06479	3.7
195.17393	27.5
201.16383	5.2
203.14348	4.4
213.18489	4.8
216.62950	3.0
219.17473	8.0
229.15836	18.0
247.17055	3.1
257.19318	2.7
257.22586	3.8
275.23575	5.8
285.22086	6.7
291.23038	3.2
293.24655	7.5
303.23178	39.0
307.09659	5.4
321.09497	9.1
321.24097	13.7
339.05786	5.8
339.11981	9.7
339.26401	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	339.071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71853	0.5
55.01876	1.1
65.03933	1.8
67.05501	1.7
68.99779	2.0
69.03425	0.6
70.06601	0.7
70.62075	1.0
70.62469	1.1
71.04984	1.6
72.70389	0.5
79.05473	0.9
81.03398	1.0
81.07046	2.7
83.04978	1.1
85.02908	1.0
85.06523	1.2
91.05481	10.3
93.03392	0.5
94.04220	0.7
95.04953	1.0
95.08596	1.2
96.08940	1.0
97.02872	1.7
107.04939	1.3
109.02853	1.4
111.00801	0.7
111.04445	1.3
113.02371	0.8
116.98632	0.7
119.04939	25.4
121.02900	1.2
123.04433	2.3
123.11662	0.7
125.02309	1.4
127.03902	1.4
131.04927	0.6
133.02856	0.7
135.04428	1.7
139.03902	21.5
139.05005	1.0
140.04721	3.3
141.09106	1.1
141.12733	2.0
142.09512	0.8
143.03377	0.6
145.02872	0.6
145.06566	0.5
147.04405	100.0
148.04764	1.5
149.02353	0.8
149.05986	1.0
150.03040	0.7
151.03903	2.5
153.01840	0.7
155.03387	11.7
155.04762	0.8
159.04431	1.3
159.10239	0.6
159.13811	1.6
160.10489	0.6
161.05980	1.0
163.03899	6.8
165.05457	0.8
167.03426	1.7
168.04184	3.4
169.04988	0.7
169.85028	0.6
175.03888	1.8
177.05457	16.3
177.14899	1.0
179.03413	2.4
181.04932	4.4
183.02948	1.2
183.04469	0.9
187.03825	2.6
189.05475	1.6
191.03375	2.3
193.04941	1.3
201.05560	1.0
203.03383	7.8
205.04947	9.9
211.03989	0.7
214.02591	1.0
215.03401	4.4
217.04994	1.2
219.02904	1.0
221.04480	2.3
229.04968	1.6
231.02913	2.7
233.04445	10.6
239.03383	2.8
241.04979	0.7
242.02142	2.9
247.06013	1.6
249.03996	1.2
251.05508	4.6
257.04532	2.5
259.02487	0.7
259.06073	0.8
267.02878	2.2
274.73553	0.6
275.05560	1.9
277.03391	2.0
285.03998	1.7
295.04492	5.8
303.04959	4.3
304.05542	0.7
306.07281	1.4
321.06039	8.3
339.07129	14.8
339.10965	0.7
339.15668	1.1
340.07104	0.6
346.12372	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01863	1.8
55.05505	1.5
56.96561	2.0
65.03946	2.7
67.05517	2.7
68.64307	1.1
68.99792	3.4
69.03451	6.2
71.58915	1.6
79.05496	1.3
81.03427	3.0
83.04958	2.8
83.91918	1.1
85.02892	4.1
91.05481	13.1
93.03417	2.2
95.04963	4.2
97.02892	4.8
98.77311	1.1
98.97592	2.6
99.04436	1.5
104.24768	1.3
107.04942	3.4
109.02892	2.1
111.04444	5.0
116.98549	1.5
119.04943	23.1
121.02901	1.7
123.04440	5.4
125.02368	3.0
127.03909	3.7
127.07523	1.1
129.05424	2.8
131.04945	1.4
133.02888	1.5
135.04425	2.8
137.02303	2.3
137.05997	3.1
139.03896	45.2
140.04599	4.6
141.01881	2.2
143.03423	1.8
145.02821	1.4
145.06471	1.2
146.99648	1.4
147.04404	100.0
148.04852	1.7
149.06023	1.7
151.03882	3.9
153.01855	3.2
154.79208	1.4
155.03371	23.2
157.05003	1.4
159.04466	1.2
161.07106	1.3
163.03886	10.7
165.01866	1.2
165.05450	2.0
167.03397	1.7
168.04178	4.7
169.04979	1.2
171.02809	1.1
175.03893	2.0
177.05444	20.7
179.03397	4.2
181.04924	3.2
183.02847	1.5
187.03923	3.5
189.05437	1.6
191.03380	4.9
193.04973	1.4
203.03412	18.3
205.04979	9.4
215.03433	3.8
221.04489	2.4
229.04951	2.8
230.64891	1.3
231.02902	3.9
233.04501	7.5
237.02769	3.6
243.04744	1.1
247.02441	2.7
247.05980	4.7
251.05496	4.9
255.05263	1.6
259.05859	1.8
275.01898	1.4
275.05536	3.7
277.03525	1.8
295.04633	5.7
303.04861	1.9
306.07407	1.5
321.06042	12.1
339.07083	14.3
339.11069	3.6
339.15698	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	338.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.2
57.03429	3.7
57.07068	1.2
64.63109	1.0
67.05505	8.8
69.03426	1.6
69.07059	16.7
70.87015	1.1
70.87365	2.8
70.95943	1.0
71.04980	1.0
73.06553	2.8
81.03420	1.5
81.07051	27.1
83.04954	1.6
85.02900	21.7
85.06528	1.3
91.05469	7.9
92.29298	0.9
93.07054	2.0
95.04962	1.0
95.08599	100.0
96.08954	1.4
97.02869	2.5
97.06522	5.6
99.04469	5.5
99.08098	5.8
101.06017	3.1
103.03963	1.9
113.09636	10.9
115.07556	26.2
119.04931	19.7
123.04444	0.9
123.08057	47.8
130.06517	2.0
140.28589	1.1
141.09093	98.3
142.09497	1.2
147.04402	82.0
158.05992	2.2
159.10155	95.1
160.10535	1.4
176.07098	2.7
177.05429	1.3
184.73071	1.0
193.86824	1.3
213.37506	1.1
226.96535	1.0
287.20486	1.0
338.08817	1.4
339.11072	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	49.6
67.05490	18.0
69.03438	5.6
69.07067	15.1
71.60341	7.7
79.05481	21.4
81.07059	26.6
83.04967	5.0
83.08605	35.6
91.05461	32.5
93.07034	18.9
95.08616	11.4
97.10158	74.3
105.07047	13.4
107.08583	33.9
107.70313	4.8
109.10165	11.1
113.44626	4.5
117.07007	27.4
119.08574	44.6
119.25022	4.7
121.10117	7.8
125.09621	69.0
131.08569	8.8
133.10042	6.6
134.99690	5.7
135.08043	20.9
143.08578	13.2
145.06482	16.4
145.10225	6.5
147.08032	8.4
153.09106	13.6
157.12160	7.9
159.08060	17.2
161.09692	8.4
163.07538	6.0
167.35493	4.8
171.10179	5.0
177.05548	6.7
198.84743	5.1
203.12750	100.0
203.14534	8.9
228.28510	5.5
247.07671	4.8
263.00653	5.2
271.16919	62.4
272.17584	4.9
274.97546	8.7
289.17969	9.4
303.19495	53.8
313.39072	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	338.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15159	0.9
53.03931	3.1
55.01861	3.8
55.05500	2.3
56.05020	4.2
56.96557	11.7
57.03428	4.4
58.06579	1.4
60.04514	2.6
61.02928	6.4
65.69473	1.2
67.05497	2.3
67.80878	1.0
68.99789	1.7
69.03075	1.7
69.03427	18.9
69.07057	1.3
70.06589	4.3
71.04984	3.8
71.59159	2.0
73.02912	4.0
74.06077	9.6
77.72204	1.0
79.01872	1.1
81.03410	10.7
83.01338	1.2
83.04973	1.8
84.04489	1.5
84.08133	1.5
84.96040	1.5
85.02901	46.3
85.06541	3.0
86.03248	1.9
86.09660	0.9
87.04474	3.9
88.07624	4.4
89.06020	1.3
91.03956	3.6
91.05486	3.6
93.07059	0.9
95.04971	2.9
96.81380	1.0
97.02886	20.0
97.06550	1.2
98.97585	8.3
99.04459	3.8
107.04958	1.5
109.02861	5.1
110.06014	1.1
110.97582	1.2
111.04443	1.7
112.11198	2.6
115.03978	1.5
116.98589	8.0
119.01849	1.4
119.04934	7.8
119.08617	1.0
123.04417	3.6
125.02312	1.4
126.05567	1.2
127.03915	13.1
128.98604	3.6
129.05501	1.3
130.08626	3.4
130.12271	92.1
131.04910	1.1
131.12653	2.5
134.06009	1.7
134.99654	5.3
135.04428	1.8
137.06015	1.9
139.03894	11.6
141.05472	2.1
143.03380	2.5
145.04951	8.5
146.99660	3.4
147.03204	2.0
147.04402	28.5
151.03905	2.0
153.01808	10.4
155.03400	1.5
158.08121	1.8
158.99664	3.9
159.06528	3.2
161.01237	2.0
161.02899	1.1
163.03957	2.9
165.00641	1.7
165.63002	1.0
170.05089	1.3
170.99594	1.2
173.02815	1.3
176.06978	2.3
176.09233	4.2
176.12820	100.0
177.00703	4.1
177.05273	1.0
177.06647	11.2
177.13205	2.2
186.07607	1.2
189.00682	2.3
191.03741	1.3
193.00150	2.8
194.00587	1.6
197.01186	1.8
201.00705	3.1
203.03517	1.6
204.08629	2.7
213.00684	2.2
217.00201	1.8
219.01773	4.6
221.04968	1.6
225.00728	1.2
233.04454	2.0
237.02806	9.2
242.03264	1.4
243.01808	1.2
245.05090	1.9
247.02444	1.6
247.06082	1.4
247.08435	1.2
248.07840	1.1
249.06299	1.7
255.03770	1.9
258.06595	1.5
263.00827	2.4
264.00986	1.5
265.07001	1.1
275.01944	1.6
279.03778	1.7
302.15915	1.4
338.08649	2.1
338.13959	1.6
338.17935	12.2
339.11798	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1233
Annotation	Indole-3-acetyl-beta-1-D-glucoside
Peak:m/z	Relative Intensity
53.03929	0.9
55.01858	0.9
55.05492	0.4
56.96556	0.3
57.03426	1.1
59.04980	0.3
61.02931	1.6
65.03918	0.5
67.05502	0.4
69.03075	0.5
69.03423	6.2
69.07050	0.3
71.04970	1.0
71.24499	0.5
73.02911	1.3
79.05492	0.3
81.03415	2.4
81.07044	0.4
83.04963	1.0
85.02900	9.9
86.09713	0.6
87.04453	1.0
91.03940	0.9
91.05476	2.6
95.04958	1.0
95.08577	1.0
97.02889	4.1
97.06523	0.8
99.04439	0.9
104.05013	0.3
107.04956	0.5
109.02847	1.6
111.04415	1.2
115.07547	0.6
119.04942	4.9
120.08135	0.4
121.02850	1.4
122.03196	0.8
123.04427	1.2
123.08057	0.9
127.03900	3.0
129.05428	0.6
130.06511	2.5
131.04916	0.3
135.39316	0.3
137.05968	0.5
139.03876	1.5
141.09091	2.6
145.04968	0.9
147.04401	17.5
153.01817	0.7
153.50496	0.2
158.06001	12.3
159.06451	0.6
159.10155	1.1
176.07059	100.0
177.05908	0.5
177.07378	2.3
179.03372	0.3
189.55363	0.3
229.05043	0.4
243.58667	0.2
275.01556	0.3
338.12320	25.6
339.12265	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2371
Annotation	Chatferin
Peak:m/z	Relative Intensity
50.12933	1.0
50.28004	0.9
50.43248	0.8
53.03942	1.4
54.84321	0.9
55.00224	0.9
55.05506	10.4
65.01257	0.8
67.05486	2.9
69.03384	1.0
69.07055	3.9
69.33916	10.1
77.25166	1.0
79.05477	2.0
80.16508	0.9
81.07038	4.0
83.04975	100.0
91.05468	1.7
93.07030	4.1
95.08611	4.4
101.06038	6.9
105.07022	3.1
107.08585	4.0
109.06510	4.6
109.10119	1.4
111.11665	1.1
119.08569	3.7
121.06481	10.0
121.10116	2.2
123.08025	1.2
133.10124	2.5
135.08043	15.1
135.11662	1.4
143.08392	1.1
145.10069	2.1
147.11649	2.5
159.11693	1.2
161.13289	1.1
163.11154	2.2
171.11729	1.3
173.13293	1.2
175.14809	1.0
187.14767	1.0
201.16347	1.8
215.02864	1.1
219.17436	5.0
223.74397	0.9
319.22739	3.4
337.21552	1.9
337.25470	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	337.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08022	1.7
54.68584	2.3
56.96558	3.3
57.28912	2.3
65.03928	2.3
69.03419	4.8
70.06590	60.2
70.73294	2.7
70.73623	4.4
71.04988	3.5
81.48944	2.1
85.02910	6.4
95.04969	2.6
97.02894	3.3
105.07047	2.9
107.04942	6.3
108.78384	2.1
111.04454	4.2
112.07600	66.5
113.06031	5.0
116.07089	18.3
121.02881	13.7
123.04428	5.2
127.03919	3.9
129.05449	2.2
135.04410	3.3
139.03906	8.5
140.07083	12.3
141.05470	6.6
147.04399	2.8
153.01820	4.8
158.08125	100.0
159.06511	10.5
161.07106	13.2
163.03912	8.3
165.01833	2.6
177.05453	2.7
179.03400	2.6
183.10196	2.3
207.02888	9.5
235.02448	3.6
253.03546	3.3
337.09390	7.7
337.13895	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2372
Annotation	11S,12R-Epoxy-15S-hydroxy-5Z,8Z,13E-eicosatrienoic acid
Peak:m/z	Relative Intensity
53.03949	1.3
55.01870	2.0
55.05503	13.7
56.96563	1.6
57.03437	1.6
57.07072	3.0
65.32290	1.3
67.05509	6.4
69.03411	3.6
69.07064	8.2
71.04980	2.1
79.05490	4.6
80.38726	1.4
81.07057	16.1
83.04979	100.0
83.08590	3.2
85.06522	4.1
88.73641	1.5
90.33543	1.2
91.05466	7.3
93.07048	10.6
95.04945	3.0
95.08598	16.1
97.02879	2.0
97.06519	3.3
97.10167	2.4
105.07036	10.4
107.08613	8.6
109.06516	4.1
109.10159	7.1
113.09634	6.2
119.08603	11.3
121.06491	3.4
121.10161	8.5
123.08083	4.0
123.11702	5.3
125.09554	2.1
129.07047	2.1
131.08582	3.6
133.10114	6.8
135.08044	4.6
135.11662	4.3
137.09627	2.2
139.03903	1.8
139.11140	1.9
139.50616	1.5
143.08549	2.3
145.10094	3.3
147.11671	11.9
149.09604	1.7
149.13248	1.8
150.12820	1.4
151.07530	1.9
151.11171	2.6
153.01796	8.3
157.10104	5.6
159.11656	4.1
161.09644	3.7
161.13301	2.1
163.11252	2.2
165.12735	4.3
173.13304	2.1
175.11192	3.6
175.14893	2.2
185.13229	1.5
189.16479	1.3
201.12720	2.1
203.14351	2.6
217.15813	2.4
221.15366	3.7
227.14360	1.7
229.14342	16.0
256.15961	2.4
283.20407	2.4
297.72711	1.4
301.21619	5.1
315.86853	1.4
319.22729	3.9
337.05215	4.4
337.12033	3.1
337.16034	2.4
337.23773	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	337.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13094	0.8
55.05499	1.4
59.16459	0.9
65.03910	5.2
69.57800	6.9
70.06560	1.1
75.79681	0.8
79.05492	2.1
81.05779	1.5
81.07055	2.3
85.02937	1.0
91.05456	1.5
92.05003	7.3
94.06571	1.6
96.04454	1.2
96.08131	6.8
97.06532	1.5
98.21471	1.7
100.63749	0.9
104.05012	0.9
105.03437	1.2
105.07072	1.1
122.05984	2.1
124.07597	7.2
126.09142	17.2
129.07039	1.1
138.05513	1.7
138.09120	5.5
148.03922	2.7
150.05489	3.7
150.09216	1.2
152.03552	1.5
152.07053	46.8
153.07393	1.2
157.10101	1.5
163.03943	2.4
166.04987	87.9
167.05310	1.5
170.08336	1.1
176.03415	17.4
182.04488	17.3
184.09912	1.9
194.04451	11.4
197.07095	1.4
198.07729	1.9
199.08670	2.3
199.12268	1.1
200.10768	3.6
211.08655	2.2
212.09373	4.7
213.10242	1.4
215.08131	1.5
225.10245	2.7
227.08124	1.9
227.11806	6.4
228.10358	4.5
229.13400	2.7
233.09163	6.0
239.08139	2.1
240.08755	6.3
241.09669	3.0
244.08614	1.1
245.09119	2.3
253.09674	3.9
254.08046	1.3
255.11252	8.0
257.09268	5.3
257.12756	2.6
259.07135	4.7
261.12357	2.0
265.09775	1.4
270.09937	2.6
271.10770	15.9
272.09058	1.7
273.08606	2.0
273.12302	4.5
283.10742	75.9
284.11102	3.0
288.11014	2.3
289.11810	13.6
301.11807	58.1
302.12140	3.4
319.12851	100.0
320.13324	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	337.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
60.40155	2.1
60.84586	2.0
61.95264	1.9
62.09477	1.8
66.28387	2.6
69.50397	19.0
96.82837	2.2
119.01911	4.4
134.97609	2.2
137.87477	2.3
153.58138	2.0
337.08997	100.0
338.09271	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	337.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01868	2.2
56.96564	20.6
57.03418	5.2
61.02914	6.2
69.03428	13.7
70.06566	3.5
70.30251	6.3
70.98103	1.8
71.04984	3.0
73.02906	5.6
74.06062	1.7
81.03397	6.9
83.04933	2.7
84.95997	4.0
85.02424	2.2
85.02897	26.2
87.04453	3.2
91.03933	2.8
93.75941	2.0
97.02879	14.4
98.03215	2.4
98.21444	1.9
98.97005	3.0
98.97580	32.8
99.04424	3.8
109.02869	5.0
109.05690	1.8
110.06035	2.1
110.52067	2.1
110.97549	7.6
111.04415	2.0
112.99129	17.9
114.05484	2.4
116.98628	20.2
119.00166	2.1
119.01888	2.6
127.03894	9.5
128.98589	12.4
130.08612	2.4
131.00183	33.4
133.01729	2.7
134.99644	7.1
143.00194	2.4
145.01698	2.1
145.03444	3.5
145.04950	6.9
146.99634	10.7
149.01207	25.0
157.01646	2.8
158.99631	7.6
161.01231	3.5
161.02881	2.6
163.02739	2.2
165.00706	4.5
167.02341	2.5
170.99556	3.1
173.01233	3.3
173.02917	3.5
175.02751	5.1
177.00676	6.4
177.04141	2.9
178.04906	4.1
179.02281	2.1
185.03000	2.3
189.00656	6.0
193.03822	9.1
201.00705	4.5
205.03720	2.5
211.04794	10.2
217.03712	2.5
219.01744	21.5
230.98048	2.7
235.04918	3.1
237.02800	36.8
244.99716	2.2
245.04961	4.7
249.06325	2.5
255.03928	3.5
256.04919	2.6
256.07513	4.1
259.06326	2.3
260.04584	2.1
263.00745	5.0
275.04343	5.7
277.05963	5.5
289.96527	1.9
293.05466	7.1
295.06998	23.8
321.10364	3.4
336.60355	3.5
337.08597	100.0
338.08826	2.5
355.09146	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	337.1102
Annotation	Firocoxib
Peak:m/z	Relative Intensity
69.63967	5.2
70.06594	0.7
85.70158	0.7
101.00872	0.9
119.01920	3.0
127.28294	0.8
133.03506	0.7
145.03421	2.3
151.04504	0.7
157.03473	1.8
173.02979	1.7
175.04498	0.9
211.06670	1.0
221.05199	0.7
235.06642	2.5
247.06619	2.4
295.08911	0.8
337.10983	100.0
338.09625	1.1
355.10861	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2575
Annotation	Isoobtusilactone B
Peak:m/z	Relative Intensity
53.03946	1.7
53.24852	1.5
55.05512	12.3
57.03428	14.4
61.62432	1.6
65.03931	1.7
67.05499	49.9
69.07066	9.6
69.95162	6.5
69.95571	4.1
79.05483	20.7
81.07056	46.8
83.08602	5.3
85.02874	2.0
91.05463	12.5
93.07037	23.4
95.08600	37.4
97.06517	2.3
97.10149	1.8
105.07013	7.7
107.08594	13.5
109.10149	16.2
119.08570	5.7
121.10153	12.8
123.11733	5.1
123.91403	1.8
125.52858	1.6
131.08562	4.8
133.10112	4.5
135.11688	7.8
147.11728	2.6
159.11687	3.8
161.13242	3.6
164.90631	1.6
173.13251	2.3
261.22083	5.7
335.25775	100.0
336.26144	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	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03939	2.6
55.01845	1.3
55.05508	18.1
57.03435	16.4
57.07053	1.9
65.03916	2.3
67.05502	65.1
67.78578	1.3
69.07061	12.3
71.04968	2.7
71.16188	1.7
71.27197	2.2
78.35194	1.3
79.05064	2.0
79.05495	28.2
79.05935	1.2
81.07053	60.8
83.04976	2.3
83.08601	5.0
91.05469	16.8
93.07042	35.0
95.04942	3.6
95.08604	49.0
97.06506	3.0
97.10150	2.3
98.24483	1.2
105.07026	11.3
107.08593	17.8
109.10152	18.5
111.08127	1.5
117.06992	2.9
119.08571	7.7
121.10140	14.1
123.08077	1.4
123.11720	6.3
131.08528	6.4
133.10152	6.4
135.11707	7.7
138.05164	1.6
145.10114	4.0
147.11673	3.6
149.13283	6.4
157.90111	1.3
159.11665	3.2
161.13232	2.0
163.14786	2.5
173.13307	3.0
187.14771	1.6
200.68008	1.5
201.16397	1.5
243.21001	1.8
261.22134	5.6
335.25784	100.0
336.26123	4.3
358.18863	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0803
Annotation	[1S-(1alpha,2beta,5alpha)]-4-Bromo-5-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-2-methylphenol acetate
Peak:m/z	Relative Intensity
55.01847	0.9
55.17385	0.9
56.96561	42.8
57.03412	2.9
59.04990	1.2
61.02902	3.2
61.34251	0.9
69.03425	7.7
69.60820	5.8
69.61237	2.2
70.06579	1.6
70.98115	5.6
71.04967	3.5
73.02890	2.8
74.97592	1.5
81.03400	4.9
83.04968	1.7
84.96019	7.6
85.02435	1.3
85.02902	18.4
85.06581	0.9
86.06023	1.1
87.04444	1.7
88.99170	5.9
97.02882	8.7
98.97577	72.5
99.04437	2.8
100.99102	1.5
107.00184	1.6
109.02850	2.0
110.97559	18.4
112.99126	18.0
115.00685	1.3
116.07113	1.2
116.98612	45.7
119.01886	2.0
124.99132	1.4
127.03924	5.1
128.97668	1.8
128.98602	27.1
130.12193	1.1
131.00166	33.8
133.01718	5.6
134.99637	14.3
140.00154	1.8
140.98561	3.2
142.96489	3.0
143.00111	6.2
144.98033	3.6
145.01671	1.8
145.03401	2.0
145.04929	3.9
146.99658	22.7
147.03181	1.0
149.01210	22.1
151.02750	4.9
152.98579	4.1
153.00620	1.2
157.01651	1.8
157.03462	1.5
158.22261	1.2
158.99654	13.5
160.97542	2.2
161.01169	6.8
161.02942	1.9
162.99120	3.5
163.02754	1.3
165.00726	10.4
167.02261	2.9
170.01262	1.1
170.99608	10.6
173.01186	1.7
173.02773	1.3
174.99118	2.2
175.02747	7.8
175.04291	2.1
176.09117	1.3
176.12816	1.6
177.00713	16.0
177.04141	1.7
178.04884	3.9
179.02266	1.7
182.99612	1.6
183.01656	1.4
184.97581	2.6
185.02882	1.4
186.99231	1.3
187.02710	2.7
187.04362	1.7
188.97079	9.3
188.98552	1.2
188.99136	1.6
189.00693	15.4
190.98586	1.4
191.02264	2.3
193.00198	1.9
193.03821	8.1
201.00682	4.5
202.98586	5.7
203.02229	2.0
205.00226	2.4
205.03787	2.1
206.98109	6.0
207.01732	7.7
211.04829	5.7
212.97046	1.4
217.00189	1.2
217.03824	3.4
219.01743	31.9
220.99648	3.6
221.05098	2.1
223.01146	3.2
223.04730	1.0
229.03758	2.3
230.98106	11.6
234.06606	1.9
235.01201	3.4
235.04814	3.3
237.02806	70.4
238.03043	1.6
242.03323	1.4
244.99712	6.0
248.99101	3.4
249.02696	1.7
255.03812	5.3
255.57777	1.9
256.07220	1.9
257.08002	2.0
260.04333	1.3
262.98026	1.7
263.00763	25.2
267.03925	1.6
275.04169	5.4
277.02368	4.5
277.05881	25.1
281.01697	5.3
281.04669	0.9
293.05356	7.9
295.06976	100.0
296.07404	2.4
305.01749	2.5
318.08517	4.3
321.10391	1.6
337.08057	76.4
337.60513	1.4
338.08490	3.2
338.25262	1.3
355.05011	1.8
355.09061	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	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03934	2.2
55.01850	0.9
55.05508	16.6
57.03432	20.0
57.07066	1.9
58.72215	0.6
65.03931	2.4
67.05500	67.5
69.07060	16.4
70.14104	0.8
70.20266	3.5
71.04990	1.9
79.05487	32.7
81.07053	53.5
83.04980	1.8
83.08617	7.0
85.06525	1.1
90.91245	0.7
91.05473	17.8
93.07036	34.8
95.04987	4.3
95.08598	48.6
97.06512	2.3
97.10159	2.1
98.20729	0.7
99.08068	0.9
105.07024	10.4
107.08592	17.7
109.06502	1.6
109.10148	18.6
111.08128	0.8
117.06998	2.1
119.08562	6.5
121.10130	14.6
123.11676	5.9
129.06996	0.8
131.08560	6.3
133.10118	8.0
135.11685	10.7
137.09619	0.9
137.13234	1.8
145.10089	4.8
147.11679	4.5
149.09595	0.9
149.13266	6.2
159.11711	2.3
161.13300	3.4
163.14821	1.5
163.95020	0.7
173.13274	3.0
174.10323	0.7
175.14827	1.4
177.16354	0.9
179.61008	0.7
187.14784	1.7
197.13222	0.7
225.65308	0.8
233.22493	1.0
240.01373	0.8
243.21071	2.6
261.22195	4.6
281.50464	0.7
335.25775	100.0
336.26178	2.2
344.22922	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03930	1.8
55.05260	1.1
55.05510	16.2
55.19845	0.7
57.03437	18.7
57.07041	1.6
58.27789	0.7
65.03921	2.5
67.05501	63.2
67.89828	0.8
69.06718	1.4
69.07063	16.2
70.20813	4.1
71.04989	1.3
79.05489	32.9
80.05834	0.8
81.07052	55.6
83.04939	1.4
83.08619	5.9
85.06512	1.1
91.05479	14.9
93.07042	36.6
95.04960	4.4
95.08604	46.0
97.06534	2.2
97.10152	2.7
98.21364	1.2
105.07034	8.4
107.08588	17.3
109.10155	18.1
117.07010	2.7
119.08579	6.6
121.10150	14.7
123.08036	1.2
123.11709	6.6
125.09569	1.3
128.99361	0.8
131.08545	6.1
133.10129	6.2
135.11688	10.8
137.13245	1.3
145.10101	2.8
147.11659	3.7
149.13258	4.6
159.11694	2.8
161.13277	2.0
163.14752	1.4
173.13281	3.7
175.14844	1.2
187.14845	1.4
195.82413	0.8
243.21040	1.8
261.22144	3.4
317.24536	1.2
335.25781	100.0
336.26102	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	335.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96540	3.1
67.05478	3.5
69.50671	12.7
69.51077	5.0
81.03409	2.6
85.02891	3.0
95.04958	2.9
96.04517	1.9
97.02871	4.1
98.97578	2.6
98.98469	4.4
101.00883	4.8
110.19833	2.7
116.98611	2.9
119.01917	30.3
120.02042	2.6
121.02803	6.0
124.99145	3.1
133.03403	2.6
137.02977	10.4
139.03951	2.9
143.00148	8.0
145.03462	32.3
146.03581	3.1
147.94894	2.1
154.94206	2.8
157.03467	7.4
161.01212	6.6
161.02939	6.4
161.06870	1.9
163.04514	2.2
169.03464	31.9
170.03561	3.4
171.05028	7.7
171.29990	2.0
172.95219	3.5
175.04533	3.5
185.02945	16.0
187.04503	57.3
188.04655	7.9
192.03847	2.4
195.05025	2.9
197.02948	7.4
203.04010	6.9
205.05560	9.2
213.02376	3.5
213.06129	2.8
215.03995	19.5
216.04234	3.6
221.04973	3.9
229.05612	19.1
230.05638	3.4
245.05104	3.4
247.06573	15.4
248.06813	2.8
252.02461	2.5
255.03772	3.0
256.97498	3.3
258.00342	5.5
263.05911	2.7
266.01654	2.9
270.99124	6.5
275.06094	100.0
276.06360	19.7
292.89844	6.9
293.07153	29.6
294.07260	6.6
301.01422	3.5
302.01382	6.7
310.90866	10.0
311.01804	4.3
313.00134	8.6
316.08691	2.2
335.00162	8.5
335.09543	5.0
352.91827	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	335.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.0
56.96558	2.4
61.02897	0.9
69.03423	2.3
69.25871	0.8
70.06573	0.9
71.59158	1.0
73.35739	0.9
80.54695	0.7
81.03429	1.2
81.07040	1.0
83.04967	0.8
85.02913	5.5
85.07659	1.0
89.06074	0.9
97.02921	3.8
98.97580	2.3
98.98492	1.0
101.00887	1.1
109.02845	1.4
112.07581	1.1
112.09685	0.9
115.35728	0.7
116.98592	2.9
119.01918	3.7
125.02343	0.8
127.03917	1.6
130.08641	2.5
131.01910	3.4
133.03441	1.3
137.05981	1.4
143.01910	3.2
143.03363	0.8
145.03566	1.3
146.99660	1.0
147.03180	0.8
147.05043	0.8
149.02962	1.2
149.06615	2.1
153.01810	9.6
155.01930	3.5
155.09012	0.8
161.02946	6.6
162.99120	0.8
173.02881	3.0
173.06580	3.5
173.07906	4.2
173.10028	1.3
177.00746	1.1
185.06572	6.6
187.08130	1.1
189.00697	1.1
191.07680	3.2
203.07581	4.5
204.05414	1.7
215.07707	2.0
219.01743	1.3
221.05045	3.6
227.07565	1.0
233.08835	0.8
237.02971	1.7
246.59161	0.8
275.09763	8.1
285.16644	0.8
293.10831	11.0
298.24149	0.8
335.13107	100.0
336.13226	2.5
358.95004	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0394
Annotation	Hibiscetin
Peak:m/z	Relative Intensity
51.02383	0.2
53.01720	0.2
55.01855	0.7
55.23027	0.2
55.26379	0.2
56.64460	0.2
59.60412	0.2
68.99786	2.6
69.03407	0.4
71.59902	0.3
79.01839	1.1
79.02235	0.2
79.05499	0.2
81.03410	0.4
83.04957	0.2
84.58287	0.2
85.02900	0.3
87.89375	0.2
88.93627	0.2
90.85465	0.2
91.05476	0.3
93.03391	0.4
93.07012	0.2
95.01333	0.7
95.04935	0.4
97.02890	0.9
103.05464	0.4
105.07024	0.2
107.01299	0.3
107.04929	0.2
109.02864	0.9
111.00790	0.4
111.04449	0.3
113.02356	0.4
115.05412	0.3
119.08613	0.2
121.02867	0.9
121.06454	0.3
123.00761	1.1
123.04451	0.3
125.02341	1.8
126.03195	0.3
127.00238	0.3
127.03866	0.5
131.04910	0.6
137.02321	1.4
137.06061	0.2
139.00269	0.3
139.03888	1.4
141.01797	0.7
143.03403	2.0
145.02707	0.2
147.04361	0.5
149.02312	0.3
149.06004	0.3
151.00168	0.3
153.01817	23.1
154.02171	0.5
159.04404	1.0
163.03917	1.6
165.01833	2.1
166.02573	0.6
166.99876	0.2
167.03319	0.2
169.01311	8.4
170.01682	0.2
171.02838	0.5
171.04227	0.2
175.03891	0.3
177.05402	1.0
179.03329	0.9
181.01291	2.9
182.02003	0.3
185.00763	1.1
187.03891	2.2
189.05670	0.2
191.03397	1.4
193.01379	0.5
193.05042	0.3
195.02901	0.9
199.03957	0.3
203.03455	0.2
205.04912	2.3
207.02905	0.3
209.00748	0.3
211.02380	0.5
215.03374	3.5
217.05046	0.3
219.02924	1.0
221.04454	0.3
223.02312	0.3
233.04448	3.6
235.02304	0.4
237.03893	0.3
243.02876	2.1
245.04480	0.6
247.02379	0.6
248.03133	0.2
251.05473	0.5
259.07858	0.3
260.03177	0.2
261.03928	6.1
262.04166	0.3
265.03430	0.4
271.02374	2.0
272.02994	0.2
273.03885	0.6
279.04999	0.8
288.02710	0.2
289.03397	14.7
290.03857	0.4
291.04929	1.2
299.01822	0.9
306.03506	1.1
307.04419	0.3
317.02887	11.5
318.03400	0.6
335.03940	100.0
336.04315	3.2
355.89206	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01873	0.4
55.05503	4.9
56.05033	3.1
56.96555	0.6
57.07073	2.7
58.06594	0.3
58.40500	0.3
60.04520	100.0
61.04855	0.6
67.05501	9.6
68.05019	1.1
69.03429	0.6
69.07067	6.6
70.06583	0.8
70.78666	0.4
70.79016	1.0
71.05021	0.8
71.08627	1.5
72.04507	2.8
74.06075	2.5
79.05492	3.9
80.05016	1.8
81.03423	0.8
81.07054	10.9
82.06570	1.9
82.37196	0.3
83.04967	3.3
83.08607	6.3
83.09055	0.6
84.04491	0.7
84.08124	0.5
85.02892	0.7
85.06511	0.5
85.10152	0.9
86.06065	0.4
86.52535	0.4
90.05553	1.1
91.05499	2.9
93.07032	4.6
94.06592	0.8
94.07442	0.4
95.04986	1.7
95.08601	12.3
96.08132	1.0
97.06538	1.1
97.10162	3.0
98.06071	1.0
98.97578	0.5
99.04428	0.4
102.05537	1.3
105.07046	1.8
107.08586	2.6
108.08132	0.5
109.02890	0.5
109.06512	0.8
109.10149	6.0
109.57370	0.4
111.08086	0.6
111.11730	0.9
112.07596	0.5
116.07098	2.1
116.98602	0.6
119.08562	1.7
120.06612	0.8
121.06514	0.6
121.10110	1.8
123.04428	3.8
123.08079	0.9
123.11668	2.0
125.09630	0.4
130.90747	0.4
133.10127	1.5
135.08049	0.5
135.11717	1.8
137.05972	1.3
137.13217	0.5
138.06264	0.7
139.03896	0.8
145.10130	0.6
146.93790	0.4
147.11691	0.7
149.09604	1.5
149.13280	0.6
151.11124	0.4
154.53972	0.4
167.07048	0.7
168.07353	1.2
172.26207	0.4
177.00665	0.4
215.14241	0.4
221.22711	0.7
239.23593	1.9
241.79039	0.4
250.25272	1.0
262.25253	1.5
268.26321	1.0
273.07523	1.0
280.26328	8.9
289.10263	0.7
298.27386	14.9
299.27722	1.1
310.58163	0.4
316.28436	46.7
317.28735	2.3
334.29477	53.3
335.29956	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79954	0.2
56.10798	0.3
61.02915	0.3
68.07072	0.2
69.03420	1.8
71.09035	0.3
71.09367	0.4
78.55424	0.3
81.03397	0.5
85.02882	0.6
89.03882	1.2
91.27904	0.3
97.02898	2.3
99.04430	0.5
109.02935	0.3
113.37878	0.2
116.04990	2.9
116.24147	0.3
120.04405	0.3
123.04436	1.3
127.03919	0.7
134.06102	0.6
139.03865	0.8
144.04404	2.0
145.08522	0.2
147.04404	0.7
151.03865	1.9
162.05493	100.0
163.05849	2.5
165.01855	0.5
165.05579	0.3
172.03969	0.5
190.04980	22.3
191.05296	0.6
242.04488	0.4
256.06033	1.1
280.06097	0.3
286.06912	0.3
298.07104	0.4
303.08478	1.8
316.08136	16.5
317.08395	0.8
334.09177	14.6
334.33990	0.3
335.09525	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41462	0.6
55.01860	1.5
57.03420	1.2
60.52678	0.6
61.02928	3.2
64.65223	0.6
69.03438	6.2
69.74055	3.6
69.74471	1.3
71.05015	0.9
72.78978	0.6
73.02892	1.0
74.61251	0.6
77.11411	0.5
80.80746	0.5
81.03400	2.7
81.07020	0.7
85.02898	23.3
87.04442	0.9
91.03933	1.5
91.05472	9.7
97.02885	6.8
98.21463	1.2
99.04446	1.8
109.02869	2.7
109.06461	0.8
116.98606	0.7
117.61864	0.6
119.04964	6.2
127.03902	5.4
137.05968	100.0
138.06302	3.0
145.04947	7.1
146.99640	0.6
147.04337	0.7
153.01910	1.4
155.07010	11.3
162.05467	2.6
163.06151	0.8
167.07019	0.7
172.09645	1.7
177.00925	0.7
179.07028	1.8
180.08633	5.6
190.05031	0.7
203.07031	0.9
212.17470	0.7
221.07925	0.8
222.59026	0.6
245.08174	1.5
246.00478	0.6
263.09198	1.4
278.48273	0.6
281.10202	1.1
323.05368	1.0
331.95398	0.6
334.09021	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01853	1.4
55.05501	6.9
56.96559	0.8
57.03426	3.1
58.06572	0.8
61.02920	3.5
67.05486	1.3
69.03426	8.8
70.06586	1.5
71.04972	2.9
73.02898	1.3
79.05507	3.7
81.03397	3.4
81.07055	16.9
83.08614	6.7
84.08131	1.0
85.02431	1.2
85.02904	20.0
85.06538	4.0
87.04456	1.1
91.03947	2.1
91.05486	2.2
93.07021	1.4
97.02896	7.5
98.06051	2.0
98.09706	3.8
98.20762	2.6
98.97554	2.6
98.98480	1.1
99.04454	1.3
99.08069	1.7
107.04942	1.2
108.08102	3.3
109.02847	1.9
109.06509	17.2
110.06008	0.8
111.08070	1.2
116.98630	1.5
122.03662	1.3
123.04451	1.9
126.09148	46.4
127.03892	4.2
127.07549	18.0
134.99640	1.3
136.07591	1.3
137.05971	38.8
138.06302	0.8
139.03900	1.9
141.01178	1.2
145.04947	2.8
147.04500	1.1
151.03915	0.8
153.01813	2.3
154.08621	57.5
155.07019	33.3
155.08974	1.9
156.07341	1.3
162.05499	10.9
168.39328	0.8
172.09679	100.0
173.08148	1.7
173.10033	2.5
189.89757	0.9
190.04980	5.2
197.21387	0.9
229.62416	0.7
253.09740	0.9
282.62836	0.9
293.09052	1.6
316.08270	1.3
316.13721	1.2
334.08920	19.9
334.12570	1.2
334.15024	1.6
335.09827	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	333.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.2
55.01862	2.1
55.05503	3.8
56.96569	2.6
57.03435	2.2
57.07039	2.0
60.04509	1.3
60.06596	1.4
61.64078	1.5
67.05504	8.1
69.03416	1.7
69.07056	5.1
78.04665	1.8
79.05482	8.2
79.99620	1.5
81.03439	2.1
81.07061	14.7
83.04989	3.7
83.08613	3.1
84.84435	1.4
85.06536	4.5
91.05460	9.7
93.07042	12.8
95.04984	3.7
95.08613	11.2
97.06506	2.8
98.98456	17.0
103.05419	2.1
105.07027	13.9
107.04966	3.3
107.08577	10.4
109.02872	2.8
109.06502	3.0
109.10137	7.1
111.04415	1.6
111.08065	6.1
111.98479	1.4
117.07009	3.9
119.04930	3.1
119.08559	10.2
121.06512	5.2
121.10130	7.6
122.03640	2.1
123.04456	4.4
123.08086	2.1
123.11707	2.1
123.41657	1.5
125.09673	1.7
127.03865	2.2
131.08559	3.9
133.06473	2.2
133.10120	7.6
135.08032	7.9
135.11697	5.9
137.05974	40.3
137.09583	2.1
139.11200	2.2
143.08525	3.4
145.06448	3.1
145.10114	6.2
147.04382	2.5
147.08052	5.3
147.11694	4.0
149.05974	1.6
149.09641	2.5
151.07555	2.0
153.05519	3.2
153.07042	2.0
153.08977	1.5
155.08571	2.7
157.10109	3.3
159.08072	6.2
159.11679	5.1
160.08879	5.1
161.05988	5.0
161.09590	4.2
161.13206	2.1
163.07520	8.9
165.07014	2.6
167.07027	48.7
168.07411	2.0
169.10170	2.0
171.08066	3.4
171.11673	2.2
172.08823	1.9
173.09601	14.4
173.13264	3.0
174.10454	2.5
175.11171	3.5
177.09076	3.4
179.07112	2.0
179.08589	1.6
181.06573	1.9
181.08618	4.1
183.08112	4.7
183.11700	2.0
184.08826	1.7
185.09647	10.3
186.10391	2.1
187.11179	5.6
188.11932	6.8
190.13669	2.2
197.09602	28.5
198.06752	1.9
198.10364	2.2
199.11201	9.5
200.11818	2.4
201.12798	4.2
211.07555	3.9
211.11174	7.5
213.12746	8.1
214.13486	5.1
219.25809	1.6
223.03712	1.8
225.12720	4.4
227.06924	3.4
239.14304	4.0
243.10014	2.3
255.06583	3.0
255.13899	1.6
255.17348	1.8
267.17438	26.9
269.19110	1.8
271.09628	2.1
273.11246	2.5
285.18515	6.6
288.09888	32.5
289.10123	2.1
297.18588	3.1
300.20825	100.0
301.10687	2.7
301.21048	2.5
303.12180	7.7
315.19458	4.8
315.23007	3.0
316.20358	4.6
333.13226	3.7
333.20609	11.1
333.24298	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	333.1906
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
55.05493	2.2
57.61362	0.8
59.04985	1.9
67.05477	1.2
67.31163	0.7
69.03427	1.4
69.07062	3.2
69.62220	4.2
69.62620	1.4
71.04991	14.9
73.06551	3.0
79.05481	5.3
81.03432	0.7
81.06579	1.1
81.07053	19.7
85.02902	3.8
91.05461	2.3
93.07035	13.7
95.04942	0.8
95.08614	3.7
97.02899	0.9
97.06523	1.7
98.98464	4.5
105.07021	1.7
107.08584	9.9
109.10169	2.3
110.51962	0.7
111.08046	0.9
121.06478	1.2
121.10128	1.0
123.04392	1.0
130.81253	0.8
135.10678	1.5
135.11687	25.2
137.05951	4.8
147.04486	0.8
151.07581	0.9
153.01836	2.9
153.12743	100.0
154.13063	2.3
163.03995	0.8
164.07040	0.8
167.07033	4.3
181.06406	0.8
190.88603	0.7
288.09915	1.2
301.10748	1.3
308.42755	0.7
331.04095	0.8
333.05933	3.2
333.09793	1.0
333.13632	1.0
333.16998	1.7
337.47726	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	0.8
57.03425	0.6
62.05392	0.5
67.05489	2.0
69.07063	1.0
69.62005	2.1
69.62433	2.1
73.75627	0.6
75.11397	0.6
79.05493	1.6
81.07044	2.4
82.63007	0.5
87.10036	0.6
91.05463	1.4
93.07044	2.1
95.04953	0.5
95.08586	1.5
98.98460	6.6
100.98911	1.0
105.07021	2.2
107.08587	1.6
109.10160	1.3
111.39268	0.5
119.08559	1.1
121.10169	1.4
131.08569	1.3
133.10118	1.0
135.11639	0.9
137.05966	0.8
141.42252	0.5
163.77946	0.5
167.07057	0.8
171.26079	0.6
173.13295	0.7
175.02412	0.6
176.99007	0.7
181.04913	0.6
185.13098	0.7
231.11285	0.5
263.12625	0.9
271.13989	0.8
272.14099	0.7
288.09995	0.7
315.23187	0.7
333.20349	100.0
333.23874	3.7
334.20770	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1177
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
52.28178	0.8
53.03936	2.6
54.13067	0.9
55.01855	2.6
55.05500	1.5
56.96548	2.0
57.03144	0.9
57.03415	3.3
61.02924	5.4
65.03927	8.0
66.39566	0.9
66.57055	0.8
67.05483	1.8
68.99784	3.0
69.03423	15.2
70.06574	1.4
71.04985	1.9
71.28312	0.8
71.52311	1.8
73.02902	1.7
81.03406	8.0
82.03802	1.1
82.06577	1.9
83.04969	4.5
85.02899	43.3
85.07656	2.2
87.04454	1.9
89.98792	0.9
91.03963	2.8
93.03396	3.0
97.02882	15.0
98.97561	1.2
98.98457	18.5
99.04440	3.2
100.98882	1.7
103.03912	1.1
107.04922	2.5
108.08099	3.7
109.02877	4.8
109.08433	2.5
111.04433	41.7
111.05208	2.0
116.98624	1.3
121.02907	1.1
121.03998	2.6
121.06482	1.0
123.04432	2.0
123.05545	2.1
124.07618	1.6
125.07912	1.1
127.03901	8.7
128.04216	1.7
135.04347	1.4
136.06174	2.6
137.05957	2.8
139.03891	99.1
143.03380	1.4
145.04961	7.3
146.99619	1.1
147.04282	1.7
152.07085	2.4
153.01830	5.1
153.06548	2.7
153.07538	1.9
153.09122	1.0
156.04207	5.5
163.03920	2.0
165.05470	2.1
167.07062	1.9
169.04965	1.6
170.08078	1.5
171.06508	100.0
172.06824	1.7
176.98952	2.2
177.00452	0.9
177.05519	1.1
181.04732	0.9
183.06561	2.3
184.05058	1.0
207.06439	1.5
213.47916	0.9
232.04935	1.4
237.02689	1.8
237.07588	1.9
269.82227	0.9
275.10983	1.3
299.10562	0.9
315.01160	1.1
315.12643	3.1
333.10941	6.4
333.14993	2.3
337.01773	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1905
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03935	6.2
54.62513	2.2
55.01863	5.9
55.05493	3.9
57.03421	8.4
57.07074	17.3
59.05011	12.6
61.02924	13.7
67.05489	11.5
69.03078	3.6
69.03424	33.6
69.07050	11.0
71.04964	9.3
73.02898	5.0
81.03415	14.6
81.07052	7.4
83.04946	2.7
83.08609	4.5
85.02905	100.0
85.06551	12.8
87.04463	3.4
91.03938	3.4
93.07026	7.6
95.08602	65.7
97.02892	30.0
97.06503	6.1
98.20767	5.3
98.98453	7.7
99.04459	7.3
99.08086	18.8
101.38375	2.2
107.08566	10.8
109.02872	7.9
109.06496	10.4
109.10159	23.3
111.08057	8.4
111.11746	3.5
113.09640	99.2
114.09924	3.1
119.08595	3.4
122.71375	2.1
123.04414	3.6
123.28684	2.3
127.03909	20.5
127.11189	54.0
135.11711	17.0
137.06029	2.7
137.09607	2.9
137.13252	5.0
139.03923	5.8
145.04977	27.5
147.04404	2.8
151.11127	2.5
153.01819	7.5
153.12746	95.1
155.14322	19.0
167.07060	5.5
171.13803	63.0
183.52303	2.4
189.12730	2.4
191.27783	2.8
213.14883	6.3
235.38295	2.6
272.52036	2.8
279.15646	3.2
303.57724	2.6
333.19150	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	332.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48992	0.4
53.03944	0.6
55.01866	0.7
57.03429	1.7
61.02923	2.8
65.03933	0.6
67.05505	2.4
69.03427	7.6
70.30035	1.3
71.04980	0.6
73.02524	0.5
73.02899	2.5
76.42470	0.5
79.05490	1.3
80.04980	0.5
81.03394	2.3
81.05795	0.7
81.07043	0.9
85.02898	9.3
85.53497	0.4
87.04459	1.4
87.78747	0.4
92.04976	0.6
93.05800	0.6
96.08146	1.0
97.02897	4.8
98.20818	0.5
99.04494	0.8
101.92622	0.4
106.06541	4.6
108.08107	100.0
109.02889	1.3
109.08470	1.1
120.75114	0.4
122.78979	0.4
123.06796	3.9
124.07576	14.7
127.03912	2.9
132.53165	0.4
134.06003	10.7
136.07568	14.2
145.04967	1.1
152.07054	68.1
153.07445	0.8
154.08617	1.6
161.05557	1.4
170.06178	2.1
170.08122	7.1
170.56163	0.5
219.07208	1.1
231.07208	0.6
242.08102	1.3
251.08603	1.0
314.12314	39.6
315.12637	1.2
321.10376	2.8
322.10400	0.5
332.13373	74.9
333.07800	1.6
333.13721	1.9
339.11200	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0602
Annotation	Allopatuletin
Peak:m/z	Relative Intensity
53.03935	0.2
65.03928	0.4
67.01839	0.4
67.05510	0.2
68.99780	1.7
69.03430	0.3
71.64818	0.2
71.75037	0.2
81.03397	0.6
81.07045	0.5
85.02876	0.3
85.06480	0.2
91.05470	0.5
93.03371	0.3
93.07014	0.3
98.98448	1.5
105.07040	0.4
107.04981	0.3
107.08598	0.3
108.02106	0.6
109.02883	2.3
109.10130	0.2
111.00790	1.5
111.04423	0.4
119.08562	0.4
121.02828	0.2
121.06494	0.9
123.04411	0.7
126.03128	0.3
131.04980	0.2
132.29675	0.2
133.02806	0.4
133.06512	0.3
133.10236	0.2
134.66251	0.2
137.02298	1.6
137.05923	1.3
137.09541	0.3
138.03108	0.3
139.03900	3.3
140.04668	0.3
145.06454	0.3
149.05983	1.5
153.01814	12.4
153.05443	0.3
156.09604	0.2
159.04364	0.2
161.05959	0.9
163.03931	0.4
165.01849	3.1
166.02565	1.0
167.03377	3.1
167.07034	1.5
167.76202	0.2
171.04355	0.5
171.08029	0.5
175.03864	0.2
177.05441	0.4
178.02536	0.3
179.03412	0.9
179.07021	2.2
179.08440	0.3
181.10033	0.3
183.02931	1.1
183.08138	0.3
185.04408	0.3
188.04686	0.4
189.05394	1.1
193.05002	1.1
194.10742	0.2
195.02882	0.3
195.85016	0.2
199.03847	0.5
199.11089	0.2
200.97549	0.2
203.03326	0.3
205.04953	1.1
206.05730	1.3
207.02812	0.4
208.03697	1.6
209.13281	0.6
210.01651	0.2
213.05493	0.3
216.04173	1.4
217.04932	5.3
219.00735	0.4
219.02869	7.6
220.03423	0.4
222.10358	0.3
227.03310	0.5
231.02921	0.2
233.04434	3.5
234.05205	1.0
237.12727	1.6
241.04927	0.5
243.02870	1.2
244.03668	3.6
245.04422	7.0
247.02365	0.8
249.03889	0.3
255.02910	0.5
255.13785	1.2
259.05905	1.1
261.03870	2.1
262.04669	0.6
265.12244	1.2
272.03061	0.6
273.03891	5.4
273.06659	0.4
277.07062	1.3
287.05374	2.1
289.03418	4.0
290.04248	2.4
300.02454	0.7
301.03406	10.0
302.03732	0.3
304.05704	0.8
315.04883	0.4
318.03674	15.6
319.03952	0.3
333.06012	100.0
333.16739	4.1
334.06326	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	333.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
54.04275	0.7
55.01855	1.6
56.96544	0.7
57.03434	4.3
58.03757	0.8
59.05006	0.7
61.02923	7.0
63.26134	0.5
63.58306	0.5
65.03927	1.3
66.04266	0.7
67.05497	3.9
68.05820	1.9
69.03425	16.8
69.88263	3.0
70.03751	3.9
71.04987	1.0
73.02920	4.1
74.03248	0.7
75.26838	0.4
78.91896	0.5
79.01840	0.5
79.05482	1.9
81.03407	4.5
81.07040	1.3
82.03751	1.7
83.01314	0.5
83.04963	0.5
85.02903	20.0
86.03228	4.3
87.04462	2.9
88.04791	0.7
91.03938	1.0
93.05285	0.5
93.05813	1.0
94.06071	0.9
94.50637	0.5
96.08119	1.0
97.02890	10.5
97.08468	0.5
98.03213	3.2
98.97571	1.2
98.98476	3.1
99.04472	2.5
100.04746	0.6
101.00860	0.5
101.02390	1.3
106.06558	5.3
107.06876	4.7
108.08112	100.0
109.02863	2.3
109.07835	4.8
109.08444	92.8
110.03220	0.9
110.08774	0.4
115.03934	0.8
116.98734	0.5
119.01920	1.3
119.93372	0.4
123.05553	1.1
123.06835	3.9
124.03771	0.5
124.07652	14.3
125.02248	0.5
125.07926	16.4
127.03896	7.7
128.04256	1.5
128.98637	0.5
131.01924	1.2
133.03511	1.1
134.06010	9.9
135.03162	0.6
135.06363	9.7
136.06139	1.1
136.07578	11.0
137.07904	14.1
143.01845	0.6
145.03439	1.0
145.04956	2.6
147.03224	0.6
147.05002	0.7
149.01219	0.7
149.04791	0.6
150.05481	0.5
152.05269	0.8
152.06065	0.7
152.07056	57.0
153.01834	3.7
153.07413	67.7
154.08620	1.7
155.01889	0.6
155.08987	1.3
157.03484	0.7
159.04982	0.6
161.01271	0.5
161.02943	1.1
161.05513	2.1
161.55597	3.3
162.05392	1.7
167.01904	0.5
170.06075	1.8
170.08110	4.4
170.56175	4.4
171.02692	1.4
171.06044	1.9
171.08537	5.4
173.02985	1.6
174.99223	0.6
176.98935	0.6
184.05022	0.7
185.04614	0.6
196.07468	0.8
201.00728	0.6
203.04080	1.0
205.03960	0.5
212.05287	1.3
219.01524	0.7
219.07196	2.2
220.07396	1.2
221.05086	1.6
221.07040	1.0
223.04863	0.6
227.04065	0.7
231.07217	1.5
232.07338	1.3
233.06976	0.7
242.58295	3.7
243.08142	1.5
245.05109	0.6
251.58888	2.3
252.08693	2.5
255.03532	0.6
285.04611	1.4
303.05673	1.0
315.12650	49.0
321.10257	3.4
322.10550	5.4
323.10147	3.0
324.10614	0.8
333.07950	74.6
333.13782	83.0
334.08279	1.8
334.14081	0.7
340.11490	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1338
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03944	0.6
56.34769	0.5
57.03433	1.6
61.02923	2.2
65.03924	1.3
67.05503	2.7
69.03430	7.2
69.98521	3.2
71.04996	0.8
73.02908	2.0
79.05495	1.6
80.05030	0.8
81.03416	1.4
81.05736	0.5
81.07078	0.6
85.02904	6.1
87.04469	1.4
93.05781	1.4
96.08107	1.0
97.02895	3.8
99.04445	0.9
106.06548	4.8
108.08113	100.0
109.02872	1.1
123.06831	4.2
124.07589	18.0
127.03907	1.2
134.06010	12.7
136.07571	13.5
150.05695	0.6
152.07062	67.1
153.07491	0.5
154.08624	1.8
164.52948	0.5
170.08131	8.3
192.48158	0.6
192.96719	0.6
239.41252	0.5
244.07361	0.6
267.65927	0.5
314.12320	44.1
314.95013	0.5
332.13385	91.7
333.13800	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98428	0.6
55.01869	1.1
56.05022	1.1
56.96570	0.5
65.03926	0.8
67.05482	1.9
68.99786	2.2
69.03418	2.3
70.06591	1.5
71.36584	0.8
72.38361	0.5
77.03957	0.8
79.05468	1.6
80.05019	1.1
82.06574	0.8
83.04953	0.8
84.04498	7.4
85.02895	1.6
91.05450	1.5
93.03366	1.0
94.06544	0.7
95.04971	3.1
96.04451	0.9
96.08103	1.4
98.06048	1.2
98.98468	1.1
105.03439	0.6
106.06589	0.7
107.04932	3.0
108.08080	1.6
109.02880	0.8
110.06038	2.6
111.00803	1.2
111.04453	4.3
112.07596	0.8
115.05417	0.8
118.06545	1.4
119.04935	8.0
121.02831	0.8
121.06501	0.9
123.04420	57.9
124.03944	2.3
124.04701	0.6
124.07594	1.7
125.02358	0.6
126.05483	2.8
127.03899	1.0
131.04932	1.4
133.02846	0.6
133.06534	0.6
134.06000	1.9
135.04408	5.4
136.03889	0.8
136.07535	1.5
137.02328	1.8
137.05943	2.2
138.05508	9.1
139.03893	34.0
140.04198	1.4
140.07039	1.3
143.04866	0.6
146.05984	5.9
147.04408	21.1
148.04971	0.6
148.07550	1.1
149.02274	1.0
149.04884	0.8
149.05978	2.0
150.05470	1.4
151.03876	5.1
152.03423	1.3
152.07059	13.3
152.10667	1.8
153.05444	1.5
154.04987	0.7
156.06548	2.0
157.53407	0.5
159.04456	0.7
161.05978	2.1
162.05463	2.9
163.03896	18.0
164.04367	0.6
164.07059	17.9
165.05457	9.0
165.07744	1.4
166.05011	2.3
166.08646	1.9
167.03354	0.9
168.06535	10.2
169.05016	0.9
170.11751	7.6
176.07047	4.1
177.05449	4.9
180.06546	100.0
181.05081	0.6
181.06873	2.3
182.08119	9.3
185.05855	0.7
187.03915	0.7
188.07056	3.1
189.05460	1.2
189.07809	1.0
192.06583	3.4
193.04913	0.7
194.08124	16.7
202.08760	0.7
205.04987	0.6
206.08150	0.8
207.06569	0.8
210.07570	3.9
227.07045	0.8
243.06598	0.9
255.06569	0.7
271.06033	2.1
273.07690	1.2
289.07013	1.9
314.10104	4.9
315.08478	5.6
332.11246	91.3
333.11761	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.263
Annotation	Clathrin A
Peak:m/z	Relative Intensity
55.05513	5.2
56.49932	0.7
57.03404	1.1
57.07075	19.3
64.07593	0.7
67.05502	11.2
69.07069	12.8
69.37218	1.3
69.37625	7.0
71.08627	13.3
79.05475	2.9
79.05933	0.7
81.07054	18.0
81.32368	0.8
83.08604	7.3
85.10169	6.2
91.05473	2.4
93.07035	7.8
95.08604	29.1
97.06467	1.0
97.10161	5.5
98.21650	1.3
98.97854	1.6
98.98465	22.6
105.07035	3.7
107.08591	10.3
109.10154	18.5
111.04479	0.9
111.08074	3.5
111.11734	3.8
116.99498	1.1
117.85879	0.8
119.08585	4.9
121.10136	11.0
123.08051	0.9
123.11716	8.5
125.13251	1.0
127.03837	0.8
131.08533	0.7
133.10124	4.6
135.08051	1.1
135.11678	3.5
137.13255	8.3
139.07538	3.2
140.01074	0.9
147.11649	5.4
149.09662	1.6
149.13277	2.9
151.07520	1.1
151.14748	1.0
153.09106	1.7
156.44676	0.7
161.13242	3.6
163.14868	2.0
165.09096	1.2
167.10643	4.8
167.48724	0.8
175.11273	1.8
175.14821	2.6
176.98924	2.5
189.12796	1.5
191.17996	1.4
193.12173	1.9
193.46823	0.9
203.17815	1.0
205.19550	2.6
207.13771	1.9
217.19456	0.9
221.15343	2.3
239.23663	5.1
252.99739	0.9
257.24783	1.5
257.85452	0.8
285.25778	1.2
286.56607	0.8
298.27451	0.9
313.27377	16.5
331.26306	100.0
332.26651	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	331.1536
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
53.03944	1.1
53.55664	0.9
55.01863	1.4
56.96564	1.4
65.03931	1.6
67.05484	1.3
69.03405	1.3
69.51476	3.4
69.51902	4.2
79.05479	3.4
81.07050	2.6
81.34743	0.9
83.07834	0.8
91.05470	29.3
94.04185	1.8
95.04943	6.1
98.98460	40.0
98.99116	1.9
103.05451	5.7
105.07026	5.5
107.04945	10.4
107.08604	1.4
108.08100	1.0
109.06503	6.8
111.04440	1.8
115.05438	1.7
116.99505	1.8
117.06988	2.5
119.04933	17.3
119.08610	0.9
121.06495	7.4
122.03630	7.5
122.09650	1.6
123.04398	2.7
123.09967	1.4
128.06213	4.1
129.06982	15.7
131.04898	6.5
131.08572	2.3
133.02835	1.0
133.06496	2.8
135.04353	1.9
135.08041	7.4
136.05174	3.5
137.05968	75.9
142.64203	0.9
143.04880	1.6
145.06462	3.8
146.03612	1.3
147.04372	2.6
147.08049	1.5
148.05176	1.5
149.05965	14.3
150.09099	6.1
151.03897	4.1
151.07532	100.0
151.09285	7.5
151.93433	1.0
152.06207	3.3
153.01772	2.0
153.06905	1.8
157.06476	12.7
158.07333	1.0
159.08037	1.6
161.05989	17.8
161.09572	5.2
162.06647	1.4
163.03923	1.2
163.07536	23.9
165.06938	10.0
165.09134	4.1
166.07774	3.3
167.07228	1.1
167.08554	17.4
169.06503	1.5
171.08070	0.9
173.05858	1.0
174.06783	6.1
174.99139	1.5
175.07504	5.0
176.98918	2.8
177.06935	1.8
177.09114	2.2
178.07806	5.5
179.03394	3.8
179.08521	2.8
181.06485	4.3
181.08427	1.4
182.07277	3.7
183.07974	1.4
187.07507	1.8
189.09088	36.6
192.09343	1.9
193.06430	6.9
193.10141	7.0
194.07227	1.9
195.08040	27.4
196.08800	2.2
197.05998	5.5
197.09601	2.0
199.07587	1.3
202.07747	1.1
203.08606	1.8
206.07263	2.0
207.08165	1.8
207.10161	9.3
209.05904	3.2
209.09637	3.4
210.06760	10.0
210.10260	1.6
211.07578	4.8
212.08304	5.2
219.07990	2.0
220.08778	2.3
221.06010	9.0
221.09558	11.2
222.06787	1.2
223.07536	9.9
224.08305	6.1
225.05391	1.8
225.09090	10.3
227.07150	2.1
227.10643	31.0
231.07939	1.7
237.09091	4.2
238.06195	6.2
238.09908	2.3
239.07018	2.6
239.10612	1.5
240.07800	3.5
241.08603	2.2
241.12193	2.2
249.09026	6.6
251.06914	1.2
252.07788	2.1
253.08568	18.3
253.12218	17.5
254.09497	1.0
255.06943	1.8
255.10150	31.7
256.10663	2.1
257.08008	1.2
266.09308	1.2
267.10172	5.2
269.08109	4.2
269.11591	1.8
270.08768	2.1
272.10413	4.1
281.11719	7.5
284.10498	1.6
285.11209	20.4
287.12759	56.7
288.13028	1.7
298.11969	1.7
299.12708	2.9
301.14151	1.9
313.14331	16.9
313.17654	1.3
331.00671	4.0
331.11520	2.0
331.15433	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.6
56.96564	3.0
57.03447	1.7
67.05480	2.6
69.03436	1.9
71.60665	1.7
79.05486	4.5
81.03413	2.8
81.07045	4.4
85.02898	3.9
91.05471	29.7
93.07069	2.0
94.04121	2.7
95.04961	7.6
97.02867	4.0
98.41958	1.3
98.98463	76.0
100.98883	1.4
101.05828	1.1
103.05447	3.3
105.07005	6.2
107.04965	6.7
107.08593	1.7
108.08115	1.5
109.06503	5.1
109.10159	2.7
110.97585	1.5
111.08078	2.7
113.71601	1.6
115.05432	2.2
116.99496	2.8
117.07008	4.0
117.32184	1.3
119.04941	15.0
121.02879	1.4
121.06505	5.9
121.10221	1.4
122.03637	5.4
122.06012	1.3
123.04424	2.3
123.08048	1.4
123.11732	1.4
127.03918	1.9
128.06239	5.1
128.98621	1.7
129.06998	15.9
131.04904	5.3
131.08549	1.7
133.06511	3.0
134.03636	1.3
135.04457	1.8
135.08049	6.4
136.05197	4.6
137.05974	77.2
143.04893	2.2
145.06502	5.6
146.07242	1.4
147.04391	3.9
149.05969	14.0
150.06590	1.3
151.03915	3.8
151.07535	100.0
152.06219	3.7
153.01833	10.2
153.06985	1.4
155.06015	4.1
157.06490	11.8
159.04350	1.5
161.05986	16.0
161.09592	3.8
163.07532	18.4
165.06995	9.9
165.09084	3.5
166.07744	2.2
167.07083	4.4
167.08572	14.9
169.06409	3.1
169.12173	3.6
169.67441	1.5
171.08121	1.3
174.06757	5.8
174.99214	3.7
175.07574	4.5
176.98877	6.3
177.06921	2.1
177.09126	3.3
178.07799	5.6
179.03345	2.7
179.08574	1.7
181.06454	4.2
181.10114	1.4
182.07248	4.0
183.08090	2.5
184.08742	1.7
185.07190	2.5
189.09094	37.6
189.10732	2.4
190.27730	1.5
192.09375	2.4
193.04781	1.6
193.06364	6.5
193.10146	8.5
194.07156	2.6
195.05510	3.8
195.08047	21.8
196.08862	1.8
197.05954	4.8
205.06432	1.8
206.07208	1.7
207.08284	2.3
207.10176	8.9
208.05112	1.8
208.23047	1.4
209.05646	8.6
209.09642	2.7
210.06686	9.3
210.61627	1.3
211.07559	3.7
212.08292	4.1
213.06676	3.1
213.08774	1.5
220.08739	1.9
221.05779	8.5
221.09508	11.6
223.07549	10.3
224.08350	5.2
225.01782	1.9
225.06905	2.6
225.08952	10.6
227.06963	3.8
227.10632	27.2
228.00667	1.7
228.07635	1.6
229.06009	2.7
234.06671	1.7
237.09128	2.6
238.06328	6.3
238.09929	2.0
239.07596	2.2
239.10567	2.0
240.07819	3.2
241.08490	1.9
241.12134	2.0
249.09047	7.2
252.07846	2.6
253.08595	14.1
253.12244	15.1
255.10159	28.7
267.07669	2.7
267.10226	6.2
269.08090	7.5
269.11542	1.9
270.08517	8.8
271.02344	3.2
271.07083	4.3
271.09714	4.3
272.10336	3.2
273.07059	1.6
281.11676	6.4
284.10422	2.1
285.08582	4.8
285.11252	21.1
287.12775	56.9
295.07193	4.2
299.01801	10.0
299.09271	2.8
300.99640	1.8
310.08893	6.2
310.59030	2.9
313.08212	15.5
313.14230	18.2
316.02151	5.6
316.08902	14.0
331.04907	20.0
331.08752	6.2
331.11423	18.6
331.15433	11.4
331.18906	1.5
331.26379	1.7
332.04980	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
59.60115	1.0
60.65058	0.9
62.27412	1.0
65.03944	1.1
69.03423	1.9
69.07046	1.1
71.08609	1.2
79.05483	1.6
81.03416	1.5
81.07052	2.1
83.04982	1.5
85.02884	2.4
91.05483	14.0
94.04179	1.5
95.04948	4.1
97.02889	1.6
98.20747	3.3
98.21468	4.5
98.98461	50.9
100.98899	1.0
101.98399	1.0
103.05466	2.4
105.07041	2.5
107.04958	3.6
107.08582	1.1
109.02866	1.8
109.06516	2.6
109.10123	1.4
111.04405	1.1
115.05421	1.5
116.99493	2.3
117.07005	2.2
119.04928	9.4
121.06503	4.4
122.03648	3.7
123.04429	1.8
123.08041	1.5
128.06262	2.4
129.07007	7.3
131.04910	3.6
131.08618	2.2
133.06479	2.0
135.04378	1.3
135.08038	4.4
136.05159	1.1
137.05969	43.3
137.09631	1.3
140.81996	1.0
143.04892	1.9
145.06496	3.0
146.03610	1.1
147.04402	1.1
149.06004	7.3
151.03943	2.7
151.07536	56.1
152.06226	1.2
153.01848	2.7
153.06943	1.4
157.06496	6.1
158.03571	1.4
161.05968	8.4
161.09651	2.2
163.07549	11.9
165.06985	6.9
165.09091	2.6
166.07805	1.8
167.07048	3.2
167.08585	9.2
169.02853	1.2
169.06476	1.3
169.12294	1.3
174.06757	2.8
174.99269	3.2
175.07538	2.1
176.98940	5.2
177.06891	1.1
177.09055	2.8
178.07770	2.0
179.03397	4.1
179.06985	1.5
179.08505	1.6
181.06438	2.4
182.07205	1.3
187.03896	2.7
187.07559	1.3
189.09111	18.5
191.08463	1.5
193.06456	3.6
193.10162	3.3
194.07222	1.9
195.02881	8.0
195.08023	12.9
197.05986	2.5
197.09470	1.1
200.01076	1.1
203.08521	1.8
207.10124	3.3
209.09642	1.6
210.06761	4.8
211.07481	2.0
212.08333	2.5
213.01884	2.5
214.02434	1.4
215.03415	3.1
221.05984	5.2
221.09549	5.5
223.07552	5.5
224.08345	2.3
225.01830	16.9
225.08961	5.8
227.10619	15.3
228.00526	13.0
229.01010	1.5
229.65175	1.3
237.09087	1.2
238.06227	3.0
238.09981	1.2
239.07092	1.3
240.07823	1.7
241.08653	1.7
242.02257	1.5
243.02919	1.1
245.00874	3.1
249.09137	3.4
253.01454	13.9
253.08601	7.2
253.12166	9.2
255.10144	17.6
256.00015	3.5
257.00674	1.4
260.03168	3.7
267.10220	3.0
269.08060	2.8
269.11542	1.3
270.01669	2.0
271.02353	24.5
271.13568	1.3
272.10550	1.9
273.00299	9.7
281.11758	5.1
283.99454	6.9
285.00174	1.9
285.11203	11.0
287.12750	32.3
299.01868	45.9
300.02344	4.0
300.99789	21.6
301.14374	1.5
302.00046	1.8
311.09644	3.2
313.08057	1.7
313.14371	10.9
314.11957	1.2
316.02127	32.9
317.02542	3.1
331.04486	100.0
331.12131	4.8
331.15872	5.1
331.18997	1.9
332.04852	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	331.1539
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
55.01869	1.3
61.52478	0.7
61.60175	0.7
65.03934	2.0
67.05490	1.2
70.95988	2.3
76.65685	0.8
79.05481	3.8
81.03394	1.0
81.07041	2.2
83.04956	1.3
83.50875	0.7
84.86235	0.8
91.05478	29.2
94.04180	2.5
95.04972	6.6
98.98468	19.5
100.11253	0.9
103.05453	4.0
105.07014	6.0
107.04963	5.3
107.08591	1.4
109.06502	4.5
111.04414	1.6
115.05428	2.0
117.07011	1.7
119.04946	20.1
119.08516	1.1
121.06509	7.6
122.03649	5.3
123.04397	1.2
123.08038	0.9
128.06187	5.0
129.07004	16.6
131.04938	5.4
131.08531	2.2
133.06474	3.5
135.08047	6.8
136.05151	3.8
137.05974	80.7
138.06293	1.3
140.04938	0.9
143.04915	1.7
145.06490	4.1
146.03696	1.3
147.04395	2.3
149.05963	13.5
151.04016	4.3
151.07539	100.0
152.06107	4.0
153.01828	5.7
153.07008	1.8
154.07739	1.5
157.06509	12.8
158.07256	1.2
159.08167	1.0
161.05977	14.6
161.09602	3.8
163.03935	1.3
163.07539	22.7
165.06993	11.5
165.09128	4.7
166.07741	2.8
167.07166	1.5
167.08545	15.0
169.06445	2.5
171.08055	1.8
174.06764	7.6
174.99164	1.5
175.07520	4.1
176.98903	1.7
177.05548	1.2
177.06972	2.0
177.09062	2.5
178.07765	6.4
179.03384	1.2
179.08556	3.0
179.10541	1.0
181.06476	4.0
181.10036	1.4
182.07263	3.5
183.08000	1.6
184.08714	1.0
187.07523	1.4
188.08342	0.9
189.09103	33.5
191.08569	1.0
192.09331	1.3
193.06470	8.0
193.08443	1.4
193.10083	8.2
194.07233	2.6
195.05475	1.5
195.06145	1.4
195.08061	26.0
196.08759	2.0
197.05882	5.2
197.09514	1.8
199.07613	1.1
202.07700	1.3
203.08519	2.4
205.06535	1.4
206.07271	2.2
207.08090	2.1
207.10170	6.1
208.08871	1.1
209.05836	3.3
209.09642	4.3
210.06767	8.9
211.07585	4.0
212.08307	5.1
213.09058	0.9
219.08020	2.0
220.08792	1.3
221.05916	9.3
221.09550	11.6
222.06615	0.9
223.07539	10.7
224.08348	3.9
225.05345	1.1
225.06989	1.0
225.09041	10.3
226.09927	0.9
227.07007	2.6
227.10663	30.9
231.08188	1.0
234.06792	1.3
237.05356	1.8
237.09013	2.4
238.06274	6.0
238.09903	2.1
239.06898	1.4
239.10686	1.1
240.07819	3.6
241.08577	2.1
241.12157	1.2
249.09085	5.8
252.07852	2.3
253.08594	14.2
253.12231	16.9
254.09094	1.4
255.06364	1.7
255.10172	34.5
256.10654	1.4
266.09436	1.1
267.07852	1.0
267.10226	8.0
269.08078	5.5
269.11713	1.8
270.05286	2.1
270.08722	1.9
271.02353	1.2
271.07104	2.5
272.10397	3.5
281.11713	7.8
284.10422	2.1
285.08371	1.3
285.11218	21.9
287.05649	1.6
287.12769	54.4
288.13022	1.1
295.07031	1.4
299.01755	2.4
299.12735	2.4
300.99835	1.5
301.14297	2.7
313.08261	5.4
313.14313	17.1
315.04953	9.1
316.02036	2.1
316.05499	1.5
316.09006	2.2
331.04343	7.6
331.08328	17.0
331.15323	12.4
331.19028	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45081	0.1
53.03924	0.1
55.89802	0.1
57.03431	0.1
61.02904	0.5
67.05482	0.2
69.03432	1.1
69.66531	0.5
69.66956	0.3
71.04966	0.1
73.02925	0.2
73.05072	0.1
79.05489	0.6
80.05007	0.2
81.03401	0.5
81.05787	0.3
81.07054	0.4
85.02894	1.4
87.04443	0.3
91.05475	0.4
92.06228	0.4
93.05757	0.3
94.06548	0.5
95.04960	0.2
95.08533	0.1
96.60862	0.1
97.02876	0.5
98.98463	2.2
99.04427	0.2
105.07038	1.5
106.06525	0.3
107.07329	4.0
109.02879	0.2
117.05744	0.2
120.08047	0.1
121.08882	0.5
122.06035	0.2
122.09660	8.3
123.10021	0.3
125.02260	0.1
127.03902	0.4
127.69165	0.1
131.07379	0.1
132.08066	0.4
135.06810	1.3
135.44626	0.1
138.09105	0.1
145.04910	0.1
150.09132	100.0
151.09489	1.8
153.01828	0.3
168.10199	5.6
169.10428	0.1
174.99165	0.1
176.99010	0.2
179.03413	0.2
286.97974	0.1
287.01569	0.1
299.01758	0.3
315.03882	0.1
315.08713	0.1
316.02563	0.2
330.06232	0.1
330.10367	0.1
330.15350	0.5
331.04382	0.5
331.15259	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	331.1284
Annotation	Miraxanthin-III
Peak:m/z	Relative Intensity
55.01862	2.3
57.90211	0.3
60.71364	0.4
62.99825	0.4
67.05494	0.6
69.03435	0.6
69.07063	0.6
70.03070	0.6
70.03494	1.7
70.92140	0.4
71.04993	0.6
77.21179	0.4
79.05488	0.6
81.07059	0.5
82.06561	0.4
85.02910	0.5
91.05474	1.6
93.07017	0.6
94.06558	1.7
95.04964	0.5
98.98459	15.5
105.06982	0.4
106.02370	0.4
106.06548	1.8
108.04488	2.7
108.05106	0.5
108.08123	0.8
110.06023	1.0
114.71175	0.4
116.99466	0.4
119.04918	0.7
120.04460	0.5
122.06047	2.9
123.04435	0.4
124.07563	0.5
127.03865	0.3
129.07002	0.5
134.06004	1.8
136.03932	2.0
136.07600	0.6
137.05942	2.3
140.06969	0.4
142.11047	0.4
144.08052	0.8
146.05968	0.4
146.98676	0.4
147.04410	0.7
148.03897	0.6
148.07555	0.8
149.05969	0.5
150.05449	1.0
151.07545	2.4
152.07059	0.8
153.01799	1.0
156.08092	0.4
157.10005	0.4
158.09668	0.9
161.07086	1.1
162.05498	7.0
163.06293	0.8
163.07547	0.5
164.07053	2.2
165.06989	0.7
167.08537	0.8
168.06551	1.3
169.07504	0.5
170.08238	0.9
170.09561	0.9
172.11130	0.5
173.10713	1.4
174.99152	1.0
175.08676	0.6
176.07086	2.0
176.98956	1.4
177.05438	1.3
179.03413	1.0
183.09169	1.0
184.07585	0.9
184.11313	0.6
185.10829	0.5
186.07848	0.9
187.08606	2.1
187.12340	1.1
189.06570	5.7
190.05052	0.4
194.08104	1.1
194.09727	0.4
195.07964	0.6
197.10733	0.8
198.09151	1.6
199.08659	1.2
200.09436	1.2
200.10950	0.5
201.10237	4.8
203.08156	2.7
211.08687	0.6
211.12114	0.4
212.07123	0.5
212.10739	1.0
213.10188	2.0
214.07370	1.3
214.10863	0.6
215.08160	10.5
215.11697	4.1
225.10216	1.0
226.08615	1.0
227.08189	1.3
228.08716	1.1
229.06068	1.2
229.09706	11.7
229.13165	2.3
230.10022	0.4
231.11328	1.1
239.08133	0.5
239.11823	2.2
240.10199	0.8
241.09731	1.9
242.10503	1.1
243.07671	1.9
243.11330	6.6
252.08987	0.6
253.09679	1.3
253.12192	0.5
254.10568	0.5
255.10992	0.7
256.08478	0.4
257.09198	8.0
257.12839	6.6
258.13452	0.5
259.10858	0.9
261.12238	0.6
267.08542	0.5
267.11270	3.8
268.09802	1.0
269.09445	0.4
269.12848	0.6
271.02362	0.7
271.07404	0.6
271.10776	5.6
275.13916	3.5
285.09000	0.8
285.12308	10.7
287.12784	1.3
295.07703	0.5
295.10773	2.9
299.01822	0.9
300.99554	0.6
303.13318	4.0
313.08084	1.6
313.11707	16.8
313.17801	0.8
314.12030	0.7
316.02081	0.7
331.04886	3.0
331.12845	100.0
332.13107	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	330.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
55.01861	1.3
57.03424	1.4
58.99579	0.5
59.01085	0.6
61.02903	1.7
65.03934	0.6
67.42388	0.5
69.03118	0.7
69.03428	6.7
70.06565	1.2
71.04989	0.8
71.61321	0.8
73.02903	1.2
77.01603	0.6
79.05492	4.4
81.03406	3.1
81.07030	3.5
82.06560	0.8
83.06091	1.3
84.04455	0.6
84.08125	1.2
85.02427	0.9
85.02901	14.2
86.09668	1.5
87.04454	1.2
88.03984	0.7
91.03936	1.0
91.05471	11.4
93.07012	1.3
94.06551	1.9
95.04955	2.1
95.08575	1.0
96.08108	1.0
97.02887	5.6
98.98461	52.9
99.04440	0.7
100.98917	1.0
105.07011	5.8
106.06558	1.1
107.04946	13.9
107.07332	1.4
107.08584	2.8
108.08091	0.8
109.02872	1.6
109.06500	2.6
109.10080	0.7
110.06033	0.9
116.99454	2.8
117.05765	1.2
119.04922	0.9
120.08105	6.0
121.06519	0.5
122.06020	1.4
122.09655	10.4
123.04442	5.2
123.08072	4.7
124.04781	0.7
124.07565	1.6
127.03888	3.4
129.06516	0.9
132.08083	12.6
133.06491	6.9
135.04398	0.7
136.07559	1.5
137.05873	0.7
138.09099	1.7
139.03902	3.2
140.01045	0.9
140.07054	0.8
140.09709	0.8
140.10693	9.7
145.04927	2.4
147.04404	1.6
150.09134	42.9
151.03894	1.1
151.07535	1.8
162.05527	1.3
163.03809	0.8
168.10188	100.0
169.01357	1.9
169.10518	1.4
174.09425	1.0
174.99232	3.8
176.98944	5.5
177.05475	1.1
178.04826	1.1
179.03467	0.9
195.64743	0.6
208.05252	1.4
210.11018	0.7
228.40912	0.6
249.84436	0.7
249.92690	0.6
254.99553	0.6
269.08118	1.1
312.14426	1.2
315.08481	2.9
330.10837	2.4
330.15573	9.3
331.04794	0.8
331.13361	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94935	1.7
53.03929	3.4
53.48454	1.8
55.05510	25.9
56.57550	1.6
57.07078	14.4
57.53344	1.9
64.71729	1.5
67.05502	40.0
69.07065	51.5
69.36660	7.0
69.37095	12.2
71.08639	10.1
75.55219	1.9
79.05481	8.8
81.07053	95.2
82.07377	2.1
83.08616	33.3
85.06534	20.0
85.10158	3.3
91.05467	2.3
93.07043	19.6
95.08604	91.7
97.10166	24.0
98.98464	100.0
99.08086	15.4
105.07003	2.1
107.08582	15.8
109.10156	56.5
109.10927	3.1
111.11701	15.7
113.09656	2.4
116.99481	5.0
121.10125	10.5
123.11700	27.1
123.76564	1.7
125.13254	5.7
126.17216	2.4
128.92677	1.8
135.11702	9.2
137.05949	2.1
137.13231	12.2
139.11137	3.0
149.13249	13.4
151.14819	8.7
163.14810	5.8
165.16389	4.1
174.99211	10.2
176.98936	6.5
177.16379	2.2
179.17957	2.0
191.17949	2.3
193.19533	2.3
204.19881	1.7
205.19688	2.1
216.97972	1.6
219.21045	3.4
263.27368	4.3
273.18729	1.8
275.27356	8.2
281.28287	3.4
293.28363	14.4
311.29489	13.5
329.17319	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1745
Annotation	Lophodione
Peak:m/z	Relative Intensity
50.72251	0.4
55.01853	0.4
55.05502	1.1
56.96550	0.4
57.07069	0.8
65.91693	0.4
67.05503	1.6
69.03413	1.2
69.07058	2.5
69.37466	1.2
69.37878	2.3
69.57281	0.3
71.04974	0.7
79.05492	1.0
79.64289	0.3
81.07053	3.0
83.04945	0.6
83.08601	1.3
85.02869	0.6
85.06524	0.7
91.05460	1.2
93.07004	2.1
95.04971	1.3
95.08597	2.9
97.06492	0.4
98.21513	0.7
98.98459	100.0
100.98827	0.7
104.61962	0.3
105.07025	1.6
107.08579	1.0
109.06479	0.6
109.10136	2.2
113.05907	0.3
116.99491	5.0
117.07000	0.5
119.08561	1.6
121.06445	0.7
121.10107	1.9
123.04406	0.5
123.11671	0.8
129.06976	0.8
131.08574	1.2
133.06503	0.5
133.10107	0.7
135.08069	0.5
135.11642	0.7
137.06004	0.4
140.01074	2.0
141.06996	0.5
141.58626	0.3
142.07791	0.5
143.08533	1.4
145.06487	1.3
145.10085	0.8
147.07993	1.1
147.11693	0.6
147.56436	0.3
149.13272	0.5
151.03944	0.4
151.07559	0.4
155.08568	0.7
157.10106	1.0
158.07286	0.6
159.08037	1.3
159.11664	0.6
161.13234	0.4
165.05486	1.1
165.06880	0.8
167.08549	1.2
169.06441	0.4
169.10109	0.8
170.07205	0.8
171.08040	3.9
171.11697	1.6
172.08760	0.6
173.05945	0.9
173.09583	0.9
173.13234	0.5
174.99220	10.3
175.00673	0.7
176.98889	5.2
177.05437	0.6
179.08546	0.8
180.09268	0.3
181.06583	0.6
181.10100	1.2
183.08034	0.8
183.11642	0.5
184.08824	3.5
185.09602	5.7
185.13275	0.4
187.07697	0.5
187.11177	1.4
189.05408	0.5
189.09140	0.7
191.07069	1.7
193.10262	0.6
195.08049	1.0
195.11682	1.1
196.08881	0.7
197.09715	2.3
198.10400	1.4
199.07617	0.9
199.11169	13.9
200.11914	2.8
201.09123	0.5
201.12737	0.4
207.11682	0.6
208.05165	0.7
208.08801	0.5
208.12392	0.5
209.09628	4.8
209.13358	0.4
211.07576	0.7
211.11203	5.5
212.11755	0.5
213.09151	2.0
213.12688	2.1
213.16248	0.4
215.10742	0.5
221.09601	0.8
222.10390	0.7
223.11168	2.6
224.08389	0.8
224.11942	6.5
225.09166	0.7
225.12692	1.0
226.09888	1.0
226.13315	0.4
227.10635	2.3
227.14148	0.5
231.10156	4.1
235.11124	1.7
236.11984	1.2
237.09119	0.6
237.12703	0.7
238.72534	0.4
239.10747	2.6
239.14392	0.4
240.11462	3.7
241.12244	5.8
241.15823	2.5
245.09663	0.5
246.24623	0.4
250.13559	1.5
251.00055	0.8
251.10585	0.5
251.14296	1.0
252.99687	2.3
257.11716	0.9
257.57495	0.4
260.12048	0.8
261.36041	0.4
263.10651	0.6
265.15854	4.7
269.08206	0.7
269.12006	0.5
269.15323	3.5
275.14276	1.3
278.12930	0.9
283.16904	7.2
285.10141	1.0
287.16327	1.7
293.15317	5.7
311.16415	9.7
311.19714	0.4
315.01331	0.6
315.08585	1.4
329.17462	39.2
329.20703	1.4
329.24426	1.1
330.03674	1.6
330.10962	1.3
330.17896	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1743
Annotation	Juglanin B
Peak:m/z	Relative Intensity
55.01860	0.6
55.05501	1.0
56.90417	0.4
57.03444	0.5
59.04991	0.5
59.92230	0.4
67.05493	1.4
69.03426	5.9
71.04997	0.7
71.50140	0.7
73.02921	0.4
73.06541	0.7
78.73423	0.4
79.05499	2.4
81.07050	1.7
83.04974	1.5
83.08637	0.4
84.95564	0.4
85.02894	1.4
91.05463	3.1
93.07038	2.5
95.04961	1.8
95.08600	1.8
97.02867	0.6
97.06548	0.7
98.98458	100.0
100.98885	0.9
103.05327	0.5
105.07007	3.3
107.04939	0.7
107.08603	2.5
109.06500	4.4
109.10141	0.7
110.03128	0.4
111.08073	0.8
115.05446	0.7
116.99493	4.9
117.07005	1.4
119.08565	3.6
121.06461	3.0
121.10136	1.1
122.09663	0.9
123.04419	1.1
123.08051	1.7
123.11761	0.5
125.06011	0.9
128.06224	0.8
129.06990	1.8
131.08582	2.6
133.06500	0.5
133.10147	1.1
135.08057	4.1
137.05994	1.6
137.09579	0.5
139.03854	0.4
141.06964	0.9
142.07788	1.5
143.08562	2.8
144.09348	0.6
145.06467	1.1
145.10101	2.7
146.07240	0.4
147.04385	0.7
147.08034	4.2
147.11670	0.6
149.05966	0.5
149.09634	2.0
150.09119	0.7
151.07579	0.5
152.06238	0.5
152.32018	0.4
153.07080	0.6
155.08571	1.4
156.09338	1.4
157.06554	0.6
157.10130	3.6
158.07321	0.5
159.08047	3.6
159.11702	1.5
160.08751	0.5
161.06111	0.7
161.09584	4.0
163.07582	1.5
165.06966	1.0
167.06842	3.6
167.08571	2.1
168.10323	2.8
169.10107	2.0
171.08043	1.8
171.11681	1.9
172.08858	0.7
173.09601	3.1
174.10391	0.4
174.99213	10.9
175.00655	0.7
175.07535	2.1
175.11171	1.7
176.98906	4.4
177.05507	0.8
177.09088	1.0
179.08472	1.9
180.09352	1.2
181.10074	2.0
182.10919	0.4
183.08028	1.0
183.11653	1.5
185.09618	3.2
185.13194	0.9
187.11140	3.4
189.09016	0.7
189.12671	0.4
192.09322	0.8
193.10197	2.2
195.08012	2.1
195.11717	2.7
196.08868	0.8
197.09615	3.1
197.13237	2.7
198.10320	0.8
199.11174	3.2
201.09126	1.1
201.12851	0.7
203.08748	0.5
203.10664	1.0
205.10243	0.8
207.11714	3.4
208.08891	0.7
208.12456	0.6
209.07983	0.4
209.09648	2.2
209.13303	1.8
210.10324	2.3
211.11151	2.6
213.09111	0.7
213.12776	1.8
215.10732	2.1
215.14369	1.4
217.10199	1.0
217.12309	1.1
220.12589	0.5
221.09564	0.4
222.10556	0.9
222.14061	0.7
223.11224	3.4
223.14876	0.8
224.11977	1.1
225.09128	0.7
225.12741	6.4
226.10161	0.5
226.13377	0.8
227.10638	0.6
227.14224	2.1
227.17969	0.5
232.12523	0.7
235.11201	1.4
235.14891	0.6
236.11978	1.4
237.12785	1.9
237.16393	1.5
239.14323	0.7
241.12212	1.9
241.15749	0.8
243.13799	1.7
243.17566	0.5
247.14842	0.8
250.13577	1.5
251.00143	0.8
251.10614	0.7
251.14301	1.1
252.99750	2.5
253.12144	1.0
253.15889	1.4
255.13818	0.7
255.17354	2.4
257.11725	0.5
260.12024	1.0
263.14261	0.6
265.15887	5.1
267.13678	0.5
269.11859	0.5
269.15356	1.0
271.13461	0.7
271.17047	0.9
275.14282	0.7
278.13052	0.8
281.15302	2.4
283.16879	6.0
293.15341	4.1
299.16336	4.4
301.18109	2.1
311.12802	0.7
311.16391	11.2
329.12131	6.5
329.17474	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	329.1744
Annotation	CHEMBL595314
Peak:m/z	Relative Intensity
55.05488	5.3
59.04983	1.6
65.03928	1.4
67.05502	11.0
69.03426	29.8
69.07057	3.5
70.02713	6.1
70.03126	2.5
79.05485	7.3
81.07050	13.2
83.04976	25.3
85.02892	2.3
85.06549	2.4
91.05475	16.7
93.07043	14.2
95.04967	4.1
95.08590	4.6
97.02868	1.6
97.06502	2.2
98.98458	100.0
99.04422	1.9
100.98859	2.4
105.07027	12.9
107.04952	2.8
107.08608	8.4
109.06516	12.1
109.10142	8.6
115.03900	1.7
115.05430	2.4
116.99513	3.2
117.07027	5.0
119.04980	2.1
119.08569	28.1
121.06483	6.5
121.10125	25.8
123.04482	2.5
123.08039	4.7
128.06204	3.6
129.06995	3.1
131.08562	6.5
133.06494	3.8
133.10109	2.7
135.04381	2.6
135.08054	10.6
137.09595	13.1
139.03938	1.9
139.07491	2.9
141.06989	2.0
142.07785	3.8
143.08548	8.9
144.09302	2.3
145.06419	2.4
145.10089	6.4
147.08043	6.8
147.11655	1.9
149.09602	4.1
151.07535	2.3
154.07796	2.1
155.08560	5.7
156.09332	2.2
157.10107	8.4
158.07217	2.9
159.08054	13.8
159.11674	5.4
161.05989	3.9
161.09581	9.1
161.74023	1.5
163.07458	3.6
165.06989	2.3
165.09134	3.6
166.07767	2.3
167.08574	3.6
169.10118	6.3
171.08086	4.9
171.11682	4.8
172.08820	3.8
173.09634	13.4
174.99203	8.9
175.07584	3.7
175.11174	2.4
176.98897	5.5
177.09079	11.7
179.08563	5.3
180.09142	1.9
181.10081	6.9
182.10834	2.7
183.08038	2.2
183.11682	4.0
185.09625	6.4
187.07550	3.5
187.11140	9.8
189.09084	3.5
191.07053	1.9
193.10092	4.5
194.10854	2.2
195.08066	5.4
195.11684	6.5
197.09569	3.9
197.13243	8.3
198.10342	1.8
199.11171	4.5
201.09068	2.7
201.12808	1.9
203.10632	4.7
205.08527	2.6
205.12166	2.3
207.11729	5.7
208.08839	3.0
208.12471	2.2
209.09589	5.3
209.13158	3.3
210.10431	3.2
211.11133	6.8
213.12720	4.4
214.13588	2.0
215.10701	8.3
215.14296	4.7
223.11137	6.4
223.14844	2.4
224.11964	3.2
225.12723	15.4
226.13390	2.3
227.10559	3.4
227.14339	4.2
231.10057	2.7
233.11588	3.7
235.11159	3.7
236.11938	2.1
237.12727	3.5
237.16408	5.3
239.10451	1.6
239.14209	2.2
241.12199	6.2
243.13844	3.3
247.14754	2.8
251.00175	1.8
251.14230	4.8
252.99672	2.1
253.15750	3.1
255.17288	1.9
265.15906	15.1
269.15219	1.6
270.77206	1.5
278.13025	1.6
281.15265	4.5
283.17001	13.7
293.15335	14.8
299.16370	4.2
311.16388	51.0
329.11542	2.4
329.17426	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	329.1744
Annotation	Triptoquinone A
Peak:m/z	Relative Intensity
53.11866	0.8
55.05502	1.7
57.03428	1.1
58.27655	0.8
59.04959	0.8
67.05497	1.7
69.03430	8.2
69.71654	6.4
79.05483	2.9
81.07042	2.1
83.04954	2.7
85.02892	3.2
91.05452	4.6
93.07021	2.7
95.04949	2.9
95.08599	2.4
97.02871	1.0
97.06516	1.7
98.98460	100.0
105.07034	4.1
107.04958	1.3
107.08566	2.6
109.06480	4.4
109.10167	1.0
111.08111	0.9
116.99498	3.8
117.07034	2.2
119.08572	4.3
121.06481	3.1
123.08044	1.8
128.06166	1.5
129.06970	2.3
131.08539	2.8
133.10077	2.2
135.08084	5.8
137.09572	1.1
141.06963	1.4
142.07759	1.7
143.08562	3.7
144.09349	1.1
145.06447	2.1
145.10078	2.6
147.04442	1.1
147.08037	3.7
147.11679	1.2
148.08536	0.8
149.07027	1.0
149.09602	2.5
151.07510	1.6
155.08545	1.8
156.09390	1.7
157.10104	5.6
159.08034	3.9
159.11667	1.9
161.05980	1.5
161.09560	4.2
163.07544	2.1
165.05481	0.9
165.07007	2.0
167.08580	2.6
168.10234	1.3
169.10130	2.8
171.08029	1.7
171.11681	1.9
172.08780	1.2
173.09578	5.0
174.99228	11.3
175.07544	2.3
175.11096	2.0
176.98907	4.7
177.09151	1.4
179.08492	1.5
180.09189	1.0
181.10165	2.5
183.08092	1.2
183.11687	1.9
185.09604	3.5
185.13158	1.0
187.11165	4.9
189.09044	2.2
193.10107	3.6
194.10829	1.9
195.08076	2.1
195.11673	2.7
196.08937	1.0
197.09610	4.6
197.13248	3.2
199.11180	3.4
201.12744	1.7
203.10641	3.0
207.11752	5.1
208.08849	0.9
209.09616	2.9
209.13234	2.9
210.10358	2.5
211.11176	4.0
213.09167	1.0
213.12738	2.9
215.10677	4.4
215.14178	1.2
217.12119	1.5
221.13141	1.3
223.11148	5.3
224.11885	1.5
225.12761	8.4
227.14290	2.4
235.11096	2.3
236.11861	1.2
237.12666	1.3
237.16400	1.9
241.12238	2.5
243.13873	2.8
247.14705	1.7
249.12308	0.9
250.13327	1.3
251.14326	2.3
252.99731	2.6
253.12233	1.5
253.15962	1.6
255.13675	1.2
255.17390	2.6
263.14240	0.9
265.15854	7.0
269.15494	1.8
271.13416	1.2
271.16791	1.6
281.15390	3.1
283.16925	7.9
286.16458	0.9
293.15268	7.0
299.16406	5.5
301.17929	3.2
311.16406	12.3
329.12390	2.4
329.17386	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	329.1745
Annotation	CHEMBL595314
Peak:m/z	Relative Intensity
53.03948	0.7
55.05497	1.4
56.96557	0.7
57.03439	0.7
60.37084	0.4
67.05503	2.2
67.17342	0.4
69.03074	0.7
69.03429	7.5
69.07094	0.5
69.33649	4.8
69.66923	0.4
79.05480	1.5
81.07056	3.3
83.04979	2.8
85.02870	0.9
87.04472	1.0
91.05478	3.9
93.07045	4.6
95.04984	1.8
95.08607	1.0
97.06587	0.7
98.21545	1.0
98.98466	100.0
99.04420	0.6
100.98901	0.9
105.07031	3.7
107.04964	0.6
107.08592	1.9
109.02865	0.4
109.06525	2.6
109.10147	2.8
111.08099	0.5
115.03933	0.8
115.05513	0.5
116.99503	4.4
117.07040	1.4
119.04849	0.6
119.08578	7.6
121.06511	1.6
121.10147	7.5
123.04430	1.6
123.08083	0.9
124.03898	0.7
127.03949	1.1
128.06226	0.8
129.06999	1.0
131.08545	2.7
132.04460	0.7
133.06528	0.9
133.10132	1.1
135.04439	1.4
135.08057	2.1
137.05968	0.8
137.09608	3.1
139.03922	0.5
139.07536	0.6
140.01094	0.6
142.07803	0.8
143.08557	1.5
145.06506	0.9
145.10132	1.7
147.08046	2.1
149.09599	1.1
151.03905	0.6
151.07559	0.6
154.07732	0.6
155.08542	1.8
156.09360	1.1
157.06494	0.5
157.10156	1.6
158.07310	0.7
159.08052	3.3
159.11743	1.6
161.05997	0.9
161.09653	2.1
163.07567	1.7
165.07025	0.9
165.09155	0.8
167.06989	0.5
167.08623	1.1
169.10101	1.5
171.08035	1.5
171.11681	1.0
172.08937	0.6
173.09613	3.2
174.99229	11.4
175.11215	0.8
176.98918	6.6
177.09120	2.1
179.08615	2.1
180.08760	4.2
181.10124	1.3
182.10909	1.2
183.11668	0.6
184.80620	0.5
185.09703	1.2
186.10425	0.6
187.07574	0.8
187.11177	2.2
189.09027	1.1
193.10139	1.1
194.10818	0.6
195.07991	1.2
195.11700	2.2
196.08897	0.6
197.01311	0.7
197.09612	1.8
197.13318	2.0
199.11200	1.4
201.09068	0.5
201.94275	0.5
203.10722	1.4
205.12103	0.6
207.11707	1.6
209.09677	1.9
209.13293	1.3
210.10455	1.2
211.11220	1.8
212.11809	0.6
213.12776	1.7
215.10677	2.7
215.14293	1.1
217.10252	0.8
223.11227	2.2
223.14749	1.0
224.11880	0.9
225.09383	0.6
225.12843	3.7
227.10663	0.9
227.14349	1.8
231.10165	0.6
233.11766	1.4
237.12759	1.3
237.16508	1.2
241.12253	1.4
243.13882	0.9
247.14810	1.1
251.00146	1.1
251.14246	1.1
252.99753	1.4
253.12434	0.5
253.15715	0.7
255.13715	0.5
255.17476	0.9
265.15909	3.5
269.15475	0.7
281.15427	1.3
283.16891	3.6
293.15366	3.0
299.16382	0.5
301.18259	0.6
311.16418	12.7
311.19815	0.8
329.12027	1.2
329.17517	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	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
53.99281	0.6
54.62824	0.6
55.01862	2.3
55.05506	21.7
67.05494	6.8
69.03423	3.8
69.07064	9.0
70.72822	1.4
79.05483	10.7
81.07045	8.2
83.04962	1.9
83.08138	1.2
83.08611	17.6
84.08925	1.0
86.06022	1.7
91.05460	5.2
93.07039	5.2
95.04952	1.8
95.08596	4.5
97.06536	1.1
97.10161	30.3
98.09694	0.8
98.98456	100.0
101.09675	0.9
105.07021	4.9
107.04926	1.3
107.08582	34.9
107.26138	0.7
109.06541	1.8
109.10112	1.8
111.08080	0.9
116.10733	4.1
116.98775	0.6
116.99486	4.7
117.07043	1.1
119.08568	3.6
121.06478	0.8
121.10131	1.8
125.09620	26.5
125.10547	1.4
126.10036	0.8
131.08493	1.0
133.10135	3.7
135.08041	2.9
135.11685	1.5
140.01073	2.0
143.10641	1.5
145.10120	4.3
147.11681	3.0
149.09583	2.3
153.09137	1.4
153.12688	0.7
157.10098	0.9
159.11697	0.9
161.13213	1.1
171.10164	3.4
171.11559	1.3
174.99213	11.4
176.98973	3.5
181.12300	0.8
189.11203	47.1
190.95386	2.6
201.94781	0.7
208.96440	1.8
232.96394	2.2
250.97559	2.3
251.00082	1.4
252.99751	1.8
254.31764	0.7
257.18970	3.1
275.20038	37.5
276.20471	0.8
280.95123	0.9
293.21133	4.2
310.23865	0.7
317.07422	0.7
328.16235	3.2
328.24750	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	328.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01866	0.5
55.05514	0.9
56.96542	0.4
57.03420	1.3
59.04996	19.6
59.09549	0.4
59.69066	0.3
60.77581	0.4
61.02924	0.8
67.05503	1.0
69.03422	4.2
69.07059	0.8
70.06585	0.6
71.04976	0.5
71.59560	0.6
72.08141	0.5
73.06549	62.9
74.06880	0.5
79.05483	1.1
81.03409	1.4
81.07063	0.7
83.04978	1.4
85.02896	8.8
86.09701	1.0
87.04466	0.8
88.04007	0.4
91.05473	1.6
93.07049	1.3
95.04966	1.2
95.08554	0.5
97.02906	2.2
97.06535	0.6
98.98456	100.0
99.04443	0.6
99.08056	0.5
100.98908	0.6
103.05454	0.7
105.07011	1.8
107.04954	0.5
107.08584	1.2
109.02876	1.1
109.06512	1.7
109.10165	0.6
116.07092	0.5
116.99498	5.6
117.07002	0.6
117.09119	5.5
119.08562	1.5
120.08077	2.7
121.06499	1.0
121.10136	0.8
123.04436	2.3
123.08102	0.9
124.07586	0.5
127.03943	1.9
129.06967	0.5
131.08549	1.1
131.10658	5.9
133.06503	0.4
135.08031	1.4
135.11623	0.5
136.07639	0.4
137.05951	1.3
138.09132	0.6
139.03893	0.5
140.01088	0.8
143.08513	0.9
145.04955	0.8
145.10109	0.6
147.04399	1.4
147.08044	1.2
148.06363	0.7
148.07559	13.4
149.07910	0.8
149.11719	36.4
150.11981	0.7
153.01793	1.2
155.08577	0.9
156.09407	0.7
157.10112	0.8
159.08000	1.4
159.11642	0.8
161.09618	0.8
163.07573	0.8
165.05434	0.7
165.06795	0.5
166.08636	5.9
167.06943	0.5
167.08566	0.6
169.10103	0.9
172.08681	0.5
173.09671	0.8
174.99203	11.1
175.07481	0.6
175.99554	0.7
176.98924	4.4
177.05467	0.6
177.09142	0.5
178.04926	0.8
179.08507	0.8
181.09984	0.9
181.98599	0.4
183.08008	0.5
183.11615	0.5
185.09569	0.9
187.11110	0.6
193.10106	0.7
194.10751	0.6
195.07980	0.5
195.11690	1.0
197.09509	1.1
199.11244	0.6
203.10587	0.5
207.11627	1.3
207.13786	1.8
209.09601	0.6
209.13158	0.4
210.10344	0.7
211.11163	1.2
213.12617	0.5
215.10669	0.9
222.10295	0.4
223.11165	1.0
225.12685	1.6
235.11055	0.7
236.11751	0.6
237.16331	0.8
241.12175	0.5
247.14844	0.6
250.99947	1.2
251.14337	0.6
252.99680	2.1
253.12360	0.5
255.17383	0.6
265.15784	1.8
265.39026	0.4
281.15182	0.6
283.09427	0.5
283.16815	1.4
293.15225	1.3
310.06924	0.8
311.16345	4.6
328.07971	1.0
328.12143	0.8
328.16229	2.6
329.11801	1.5
329.17456	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	328.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	0.2
53.03938	0.6
57.03418	0.3
57.70916	0.2
57.84542	0.1
61.02915	0.5
69.03417	0.9
70.92734	0.5
73.02899	0.3
77.03876	0.2
77.18346	0.2
79.05488	1.7
80.05004	0.7
81.03404	0.7
81.75616	0.2
85.02897	2.0
87.04437	0.3
87.84136	0.2
91.05463	1.8
92.04987	0.4
93.07040	2.3
94.06538	0.3
95.04958	0.9
97.02879	0.7
98.98456	12.0
103.05452	4.8
105.04518	0.2
105.05769	0.5
107.04883	0.3
109.02874	0.2
116.99494	0.6
118.06538	1.0
119.07278	0.5
120.08092	12.1
127.03892	0.3
130.06522	2.6
133.05209	0.5
136.07576	0.2
147.06909	0.2
148.07556	100.0
149.07910	2.5
166.08620	6.4
169.33690	0.2
173.67921	0.2
174.99200	1.5
176.98936	0.8
190.27510	0.2
204.48587	0.2
252.99738	0.2
286.38913	0.2
287.05527	0.2
311.05496	0.6
328.08157	0.6
328.14563	0.2
329.02884	0.2
329.06503	0.2
347.83743	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01860	0.8
56.96549	0.6
57.03433	2.5
57.07084	2.5
59.04977	0.4
61.02925	1.4
66.55314	0.3
67.05499	2.8
69.03423	3.4
70.06609	0.4
70.94175	0.4
71.04994	1.0
71.15763	0.9
73.02887	0.5
79.05495	0.5
81.03434	1.9
85.02901	8.1
85.06535	6.5
86.06055	0.4
87.04440	1.2
91.05451	0.6
93.07001	0.5
95.04960	4.3
96.04459	0.5
97.02892	4.0
98.04007	0.3
98.98460	100.0
99.04431	1.0
100.98880	0.5
103.03963	0.5
103.05456	1.8
103.07575	37.2
104.07910	0.5
107.04984	0.4
109.02892	2.3
111.04456	0.5
113.05996	10.8
116.16514	0.3
116.98662	0.8
116.99480	4.9
120.08096	39.4
121.08435	0.9
123.04393	0.4
125.02335	0.4
127.03907	3.9
129.30768	0.3
130.07474	0.4
131.07037	1.0
134.99683	1.0
135.05457	0.3
140.01064	0.9
143.03386	0.4
145.04929	1.9
146.99713	0.4
148.07584	2.1
148.11299	0.4
149.04478	1.2
149.08080	12.4
153.01807	4.2
154.02158	0.4
166.04950	0.8
166.08644	4.6
166.10742	3.4
174.99223	10.8
175.99606	0.9
176.98929	4.4
180.08669	2.0
184.06033	0.4
197.03525	0.3
204.60292	0.4
205.55756	0.4
210.09906	0.4
224.11687	0.8
225.12337	0.8
230.01370	0.4
236.11661	0.4
237.02934	0.5
238.04289	0.4
247.04752	1.2
251.00121	1.1
252.29123	0.4
252.99681	2.1
262.55576	0.4
292.11658	1.7
300.16943	0.4
310.12866	1.6
328.16357	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01870	0.5
57.03429	2.1
57.27060	0.3
61.02921	2.9
63.56355	0.4
69.03424	8.6
70.40254	1.2
71.04974	0.7
73.02913	1.7
81.03407	3.2
82.56664	0.3
83.01360	0.4
85.02901	21.8
87.04467	1.4
91.03958	1.4
97.02896	6.6
98.98461	44.0
99.04462	1.2
100.98870	0.4
104.04996	0.5
105.07053	0.4
109.02872	2.4
116.99502	1.7
120.08108	1.3
124.03961	1.0
125.03853	0.4
127.03912	5.2
137.06010	0.6
140.01013	0.5
145.04944	4.4
148.02150	64.7
148.07550	3.3
149.02489	0.9
150.34859	0.4
153.01799	0.4
166.03215	100.0
166.12282	0.5
167.03532	1.8
174.99217	5.2
176.98921	1.6
189.04790	0.8
251.00049	0.5
252.99741	0.6
276.93839	0.4
290.89114	0.3
307.51462	0.3
328.08618	3.8
328.12347	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
55.01865	2.7
57.03434	4.3
60.82344	0.5
61.02929	6.4
62.00212	0.4
69.03423	6.6
71.04981	0.7
71.10314	0.5
71.10626	1.0
73.02916	4.5
79.94030	0.4
81.03405	2.5
85.02900	57.8
86.03238	1.1
87.04443	1.1
91.03943	1.9
97.02898	8.4
98.98463	31.5
99.04440	1.6
101.02381	6.3
101.04192	0.4
103.03300	1.0
103.03939	13.5
109.02885	2.3
116.99473	1.3
121.04971	1.0
127.03920	7.6
131.03462	0.8
137.89813	0.5
141.50462	0.5
143.03351	0.5
145.04958	12.7
149.04446	100.0
150.04759	1.4
153.01826	4.4
163.06073	2.3
166.07207	0.7
174.99252	3.8
176.98961	1.6
217.06396	0.5
252.99765	0.6
260.46094	0.5
328.12515	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.1
55.05508	24.5
57.03417	1.6
57.07069	10.9
58.97343	1.5
67.05167	2.4
67.05499	32.5
69.07066	41.4
69.90729	7.6
71.04972	6.9
71.08601	4.6
79.05489	14.7
81.07050	100.0
83.04954	1.8
83.08618	25.2
85.06527	5.1
86.37990	1.6
90.05122	1.5
91.05461	6.5
93.07043	29.8
95.04961	5.9
95.08601	93.3
97.06532	9.1
97.10166	19.9
98.21487	2.0
98.98457	68.9
103.88398	1.4
105.07027	12.1
107.08584	28.2
109.06501	2.1
109.10149	49.0
111.08076	4.5
111.11696	9.1
116.99509	2.9
119.08609	11.1
121.10138	21.9
123.08032	1.6
123.11710	25.5
125.13267	2.5
127.20993	1.4
133.10109	6.3
135.11682	16.6
137.13219	9.1
138.77417	1.6
139.11189	2.6
141.26932	1.5
147.11682	6.6
149.13239	21.1
151.11124	1.7
151.14764	3.4
155.10565	2.2
161.13275	5.0
163.14813	9.3
165.12726	2.1
174.99243	11.3
177.16318	4.2
179.17879	3.3
189.16283	1.9
191.17947	3.0
238.64798	1.6
251.00003	2.7
273.25696	9.6
279.26794	4.7
291.26877	10.8
301.65823	1.5
309.27875	10.2
327.12201	1.6
327.15851	3.7
327.28915	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	327.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67577	0.2
55.05508	2.8
56.96542	0.4
57.07076	2.0
65.03915	0.4
67.05499	4.1
69.03418	0.7
69.07063	4.4
69.63436	0.7
69.63845	1.5
71.04970	0.5
71.08614	1.0
77.01604	0.5
79.05498	2.4
81.07051	9.5
83.04958	0.6
83.08624	2.5
85.06541	0.6
85.10190	0.4
91.05470	2.6
93.07036	4.8
95.04952	1.4
95.08602	9.1
97.06516	0.6
97.10151	2.0
98.98459	100.0
99.08138	0.4
103.05473	0.5
105.07029	3.4
107.04917	0.4
107.08586	3.6
109.06539	0.6
109.10158	5.0
111.08081	0.5
111.11709	1.0
112.12022	0.3
116.99500	4.7
117.07003	0.3
119.04932	0.4
119.08573	2.7
121.10141	3.0
123.04399	0.5
123.08062	0.9
123.11707	2.3
125.06080	0.3
125.13267	0.3
129.06985	0.5
131.08589	0.7
133.10106	2.3
135.08022	0.4
135.11684	2.2
137.06004	1.7
137.09592	1.1
137.13264	0.8
140.01009	1.7
141.09143	0.3
142.07779	0.5
143.08603	0.4
145.10033	0.4
147.04436	0.7
147.08008	0.4
147.11659	2.6
149.13240	2.2
151.11186	0.5
151.14818	0.6
153.01816	0.5
155.10666	0.5
159.08066	0.6
159.11731	0.6
161.13225	1.5
163.03917	0.5
163.07610	0.7
163.14815	1.2
165.09145	0.4
165.12769	1.0
165.16409	0.3
169.10191	0.4
170.64420	0.3
171.11731	0.4
173.13370	0.3
174.97679	0.7
174.99213	15.0
175.03896	2.2
175.14824	0.6
177.07219	0.3
177.16441	0.7
179.14323	0.4
183.11745	0.4
185.09642	0.4
186.86916	0.3
189.16367	0.5
190.95433	0.7
191.17792	0.4
203.18004	0.5
209.09602	0.5
217.19461	0.5
231.20979	0.3
232.96519	0.6
233.09671	0.5
234.06729	0.4
250.97636	0.6
251.00002	3.4
252.11467	0.5
263.14319	0.5
273.25742	3.5
279.26962	0.5
281.15366	0.7
291.26813	2.1
309.14545	0.8
309.28015	1.5
327.08984	1.8
327.12357	1.1
327.15823	3.4
327.23129	0.7
328.16183	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.289
Annotation	Lesquerolic acid
Peak:m/z	Relative Intensity
53.03933	1.8
54.09074	1.3
55.01891	1.6
55.05512	25.6
55.70482	1.5
57.03429	1.7
57.07075	18.9
59.52526	1.4
67.05499	35.0
69.03404	1.8
69.07065	51.7
69.84332	1.5
69.95190	1.5
70.14113	6.6
71.04986	3.5
71.08633	7.4
79.05495	15.0
81.07053	100.0
82.07385	2.3
83.04999	1.8
83.08614	30.2
85.06573	7.7
85.10183	5.1
91.05483	10.7
93.07039	36.1
95.04963	3.6
95.08602	95.4
96.08962	1.5
97.06541	3.3
97.10179	21.3
98.98461	56.6
99.08098	3.3
105.07023	21.7
107.08594	41.0
109.06542	3.4
109.10152	48.4
111.08088	4.8
111.11724	12.6
116.99567	1.7
119.08571	18.2
121.10137	30.5
123.08059	3.2
123.11706	29.6
125.09633	1.8
125.13255	4.5
133.10149	14.7
135.11681	23.2
137.09608	7.1
137.13263	12.0
139.11206	2.6
141.09087	2.3
147.11688	16.3
149.13254	33.5
149.14378	2.9
150.13544	1.8
151.11182	2.8
151.14827	6.6
154.91052	1.7
155.10646	7.4
155.14290	1.4
161.13240	10.4
163.14816	13.6
165.12756	5.6
165.16437	4.6
174.99217	8.6
175.14844	4.7
177.16414	8.1
179.14281	2.6
179.17917	3.0
181.19511	1.9
189.16389	5.4
191.17918	3.0
203.17926	4.4
217.19492	5.4
235.20564	1.7
247.24413	1.5
261.25800	1.9
273.25766	25.2
279.26822	10.5
291.26791	22.1
297.27676	1.9
309.27872	16.5
327.15936	1.9
327.29028	2.0
346.66272	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	29.2
56.78455	2.2
57.07080	15.6
67.05505	34.5
69.07067	48.9
70.21356	11.2
71.04971	2.3
71.08625	9.1
79.05491	18.5
81.07053	100.0
83.08608	31.9
85.06543	7.5
85.10161	5.4
91.05488	8.0
93.07037	44.3
95.04966	6.2
95.08603	97.1
97.06523	2.1
97.10162	21.4
98.98464	43.8
99.08086	3.6
105.07022	27.7
107.08585	31.7
109.06489	4.0
109.10145	43.4
111.08092	5.3
111.11720	14.5
119.08569	16.4
121.10136	25.3
123.08029	4.1
123.11684	17.9
125.13232	4.0
129.12720	3.1
133.10110	14.2
135.11696	16.6
137.09616	6.4
137.13240	10.0
139.11185	4.6
147.11700	11.9
149.13242	28.0
151.11186	2.5
151.14780	5.0
155.10674	6.5
161.13257	9.7
163.14841	13.8
165.12744	8.0
165.16283	3.1
174.99185	5.0
175.14873	5.2
177.16420	5.0
182.06528	2.0
189.16423	3.4
191.17929	3.3
203.17885	2.7
204.77158	2.6
217.19492	4.3
253.46678	2.3
261.25928	4.3
273.25717	28.2
274.26022	2.2
279.26889	8.2
291.26889	16.6
297.27930	3.0
309.27786	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	327.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.05495	1.2
57.07082	0.5
62.78584	0.3
67.05501	2.4
69.03436	0.7
69.07053	1.6
70.51992	1.1
77.01571	0.5
79.05511	1.7
81.03457	0.4
81.07051	3.0
83.08606	1.0
85.06545	0.6
91.05483	3.2
93.07035	6.0
94.23212	0.3
94.62025	0.3
95.04961	6.7
95.08604	4.8
95.45335	0.3
97.06528	1.5
98.98458	100.0
105.07037	5.2
107.04886	0.4
107.08594	2.7
109.06502	1.2
109.10149	2.7
111.08073	0.4
112.28554	0.3
115.05433	0.7
116.99495	5.2
117.07021	1.8
119.08575	4.9
121.06490	1.3
121.10162	2.1
123.04393	0.5
123.08076	1.0
123.11727	1.1
128.06235	0.7
129.07019	0.8
131.08554	1.9
133.08586	0.4
133.10120	3.9
135.08046	1.1
135.11684	1.3
137.05894	0.6
137.09583	0.7
140.01077	2.5
142.07733	0.9
143.08560	1.5
144.09396	0.6
145.10103	3.6
147.11716	1.3
149.09544	0.5
150.76141	0.4
152.06226	0.6
153.07043	0.5
155.08554	0.7
156.09348	0.6
157.10089	2.9
158.10872	0.7
159.08037	0.6
159.11703	3.3
161.09625	1.6
161.13245	0.7
165.07001	0.4
169.10127	1.3
170.10876	0.4
171.08040	0.5
171.11700	1.3
173.13289	1.4
174.97685	0.7
174.99220	15.0
175.03960	0.9
175.11168	0.5
175.14809	1.4
179.08623	0.5
181.10081	0.5
183.11688	0.6
185.13261	0.7
187.11176	0.7
187.14821	1.2
189.16228	0.4
193.00346	0.4
193.10037	0.5
195.11740	0.4
196.35300	0.3
197.13327	0.9
199.14806	0.9
201.12724	0.4
201.16255	0.4
207.11716	0.5
209.13451	0.4
211.11168	0.4
211.14867	0.7
213.16405	0.5
215.14355	0.5
216.01866	0.8
220.12469	0.5
221.13235	0.4
223.11261	0.4
223.14908	0.5
225.16341	0.5
232.35312	0.3
233.03636	0.7
235.14813	0.5
237.16483	0.4
239.14082	0.5
239.18163	0.4
250.97546	0.6
250.99966	3.8
263.14410	0.6
269.19333	0.4
281.15384	0.4
283.09604	0.4
309.22052	0.9
310.30933	0.5
327.07809	3.5
327.15823	3.5
327.23111	2.0
327.26910	1.6
327.33734	0.8
328.08286	0.8
328.15701	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01875	0.8
55.05260	1.0
55.05507	13.5
57.03427	0.9
57.07070	8.4
67.05501	22.1
69.03425	1.7
69.07064	22.8
71.04971	3.0
71.08620	3.4
71.11725	1.5
73.24075	0.7
79.05493	9.3
81.07054	56.4
82.07360	0.9
83.04969	1.6
83.08613	14.2
85.06548	3.6
85.10178	2.1
91.05473	6.3
91.66213	0.7
93.06468	1.5
93.07040	23.0
95.04969	5.4
95.08604	55.1
97.06521	4.4
97.10163	13.9
98.98462	100.0
99.08075	1.6
105.06379	1.0
105.07023	9.9
107.08591	18.8
109.06534	0.9
109.10155	29.2
111.08095	2.5
111.11718	6.1
116.99528	4.3
118.27211	0.7
119.08573	8.0
121.06518	0.8
121.10146	12.9
123.08078	1.7
123.11703	17.7
125.13291	1.5
129.12679	0.8
133.10126	6.5
135.11691	8.4
137.05927	2.0
137.09601	1.7
137.13254	6.8
138.60092	0.7
139.11217	1.1
140.01070	1.1
145.06471	0.9
145.10161	1.2
147.04410	1.1
147.11711	5.7
149.13258	14.1
151.11258	1.2
151.14795	2.3
155.10666	2.2
159.11656	0.9
161.13261	4.1
163.14825	6.5
165.12688	1.4
165.16339	1.0
167.14227	1.0
174.99229	15.3
175.03888	2.9
175.14818	1.5
177.16364	3.4
179.17944	2.4
189.16402	2.4
191.17932	2.2
193.19766	0.8
197.18970	0.8
203.17914	1.8
217.19489	2.4
250.99985	3.6
261.25766	2.1
269.11829	0.8
273.25797	9.8
279.26779	2.4
281.15341	1.0
291.13675	0.9
291.26810	8.6
297.27802	1.3
309.14917	1.2
309.27878	7.0
327.08353	3.0
327.15811	3.0
327.28842	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.6
51.02373	1.4
51.29510	0.5
53.03943	6.3
55.01868	0.8
55.05519	2.5
56.96526	0.7
57.03422	0.9
57.07074	1.4
65.03936	0.9
67.05495	6.0
69.03417	1.0
69.07059	3.7
70.61547	2.1
71.04987	0.8
71.08614	0.5
71.14341	0.5
72.08176	1.5
77.01592	0.6
77.03960	1.6
79.05508	3.5
81.03418	1.1
81.07057	6.8
83.08603	1.0
85.06540	1.0
88.44179	0.5
89.60297	0.4
91.05480	7.4
93.07044	13.8
95.04964	26.1
95.08611	9.5
97.06527	3.0
98.98463	100.0
105.04515	2.4
105.07030	10.4
107.04934	0.7
107.08595	7.1
109.06503	2.8
109.10168	4.4
111.04411	0.7
115.05411	1.0
116.06248	0.7
116.99519	4.4
117.07027	2.7
119.08578	11.1
121.06533	3.0
121.10139	6.2
123.08048	1.8
123.11723	1.7
128.06248	1.3
129.06995	2.3
130.07761	1.0
131.08545	4.2
133.06517	1.3
133.10126	8.7
135.08047	2.3
135.11673	2.8
137.05980	1.5
137.09607	1.5
140.01076	2.2
141.06935	0.9
142.07764	2.6
143.08572	3.7
144.09343	1.3
144.12897	0.6
145.06429	1.4
145.10112	8.2
147.08049	0.6
147.11688	2.9
149.09668	1.5
149.13219	0.7
151.07570	1.2
151.11253	0.7
152.06201	18.3
153.07001	12.8
155.08511	1.1
156.09343	1.5
157.10135	6.0
159.08113	1.5
159.11693	8.6
161.09613	2.2
161.13255	1.3
163.14786	0.7
168.05672	4.9
169.06445	2.2
169.10133	2.3
171.08028	2.2
171.11658	2.9
173.09592	1.0
173.13231	3.7
174.99223	18.2
175.01556	1.4
175.03926	0.6
175.11157	0.7
175.14810	3.7
179.08627	1.4
181.10136	1.2
183.11696	1.7
185.09564	0.9
185.13264	2.3
187.03076	0.9
187.11151	1.4
187.14799	2.9
189.16379	0.9
193.10118	1.1
195.11662	1.3
196.12379	0.8
197.13277	1.3
199.14841	1.9
201.16360	1.1
203.10559	1.0
205.15834	0.8
206.11082	0.8
207.11687	0.7
209.13292	1.4
211.11139	0.7
211.14828	1.2
213.16328	1.1
215.02652	3.0
215.14314	1.2
217.15904	1.4
221.13286	0.8
223.14706	1.0
225.16374	0.9
227.08551	1.2
227.14279	1.1
228.09299	4.8
229.10086	3.1
229.15977	0.7
233.03610	18.2
233.09724	0.9
234.03975	1.5
235.14891	0.9
239.14308	0.6
251.00090	3.4
251.04657	9.2
253.15791	0.6
281.22653	0.5
291.21014	0.7
309.22202	1.6
310.31015	0.9
327.07809	67.8
327.15793	4.2
327.23193	4.6
327.26871	1.6
327.33713	2.1
328.08173	6.6
328.15430	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1589
Annotation	Picealactone B
Peak:m/z	Relative Intensity
50.38632	0.7
53.03926	2.8
54.60397	0.8
55.01863	1.9
55.05496	3.3
57.03429	1.2
60.30529	0.9
65.03910	0.8
67.05498	5.7
69.03424	22.4
69.07057	1.2
71.15134	2.2
79.05491	6.6
81.07035	3.6
83.01331	0.9
83.04964	3.7
85.02897	2.6
86.03208	1.0
86.47259	0.8
90.27194	0.8
91.05474	10.5
93.07043	6.9
95.04963	22.6
95.08592	3.7
97.02901	1.3
97.06538	1.5
98.98458	70.1
99.04430	1.3
103.05481	1.2
105.07033	15.7
107.04935	3.3
107.08628	4.5
109.02868	3.0
109.06496	5.6
111.04438	1.4
111.08071	1.7
115.05440	2.8
116.06216	1.4
116.99488	2.6
117.07011	6.4
119.08572	9.0
121.06502	7.9
121.10094	1.6
123.04423	3.6
123.08064	11.2
124.44200	0.8
125.05976	1.1
128.06215	6.8
129.06966	3.9
130.07768	1.0
131.08565	8.7
133.06483	5.5
133.10127	7.6
135.07152	1.1
135.08028	6.5
135.44669	0.7
137.05943	3.6
141.06976	4.1
142.07787	4.3
143.08536	12.5
145.04935	0.8
145.06467	5.1
145.10114	4.4
146.07262	2.0
147.04918	0.9
147.08017	8.1
149.05983	1.8
149.09624	2.2
151.07520	2.8
152.06221	1.0
153.06970	2.0
154.07796	1.6
155.08563	5.2
156.09384	1.7
157.06444	1.6
157.10107	3.3
158.07248	2.9
159.08041	16.7
159.11702	1.7
160.08769	2.0
161.05988	2.0
161.09613	15.6
162.10358	1.0
163.07507	3.8
164.15515	0.9
165.05551	2.0
165.07001	5.5
165.09158	0.8
166.07791	3.0
167.08559	4.0
168.09325	2.3
169.06520	1.5
169.10091	5.6
170.07237	1.2
170.10899	1.0
171.08075	3.9
171.11682	1.6
172.08838	1.9
173.05888	1.5
173.09610	4.9
174.10312	1.2
174.99205	10.1
175.07567	2.7
175.11145	1.4
177.09099	2.7
178.07788	3.1
179.07001	2.1
179.08553	7.8
180.09364	2.9
181.06464	2.0
181.10078	6.7
182.07257	1.3
183.08124	4.5
183.11668	4.9
184.08852	1.9
185.09628	6.0
186.10400	1.1
187.07533	2.8
187.11148	3.8
189.09056	2.8
189.12762	2.8
190.07768	1.4
191.08585	2.1
192.09334	3.0
193.10136	9.1
194.10913	3.8
195.08070	5.2
195.11725	6.6
196.08876	4.2
197.09610	7.2
197.13300	2.1
198.10364	1.3
199.07634	1.2
199.11176	5.5
201.09145	3.0
202.09921	1.5
203.08604	2.2
203.10674	3.2
204.09241	1.1
205.06529	0.9
205.08463	1.2
205.10217	5.8
205.11880	1.2
206.10858	4.4
207.11734	4.7
208.08844	3.3
208.12495	1.4
209.09610	9.5
209.13245	2.2
210.10393	3.5
211.07628	1.6
211.11150	8.5
211.14743	0.8
213.09103	3.0
213.12732	3.0
215.08701	1.6
215.10683	4.0
217.10167	1.1
217.12187	0.9
218.10841	1.1
219.08109	3.9
219.11707	1.7
220.08882	1.3
220.12457	3.2
221.09610	5.3
221.13258	3.3
222.10402	4.9
223.11151	9.7
223.14751	2.3
224.11897	3.9
225.09171	3.0
225.12753	4.2
225.16212	1.1
226.09874	1.3
227.10663	1.9
229.12192	1.3
230.11011	2.4
233.09612	8.9
233.13341	1.6
234.10239	3.2
235.11212	4.7
235.14830	2.8
236.11844	4.1
237.09108	2.2
237.12744	4.2
238.05496	0.9
238.09834	1.0
238.13632	1.3
239.10767	4.9
239.14371	4.0
241.12158	2.4
245.13216	2.5
246.10440	1.8
247.11188	3.1
248.11847	7.9
249.09082	2.0
249.12723	4.7
250.99919	1.5
251.10614	3.7
251.14339	7.8
252.11375	1.3
253.12274	3.8
253.15884	2.6
257.11844	0.9
258.10464	1.1
261.09128	2.7
261.12622	1.1
262.09906	0.9
263.11591	1.4
263.14258	10.7
264.11371	1.9
265.12152	2.6
266.13058	3.2
267.10178	2.6
267.13763	8.6
269.11676	1.7
271.16937	1.1
275.10736	1.0
276.11496	4.7
279.13776	2.7
281.15372	15.5
285.11588	1.0
285.15009	1.1
291.13779	9.6
297.14755	1.2
299.16336	6.9
309.14841	27.2
310.15125	2.2
327.15887	100.0
328.16220	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	327.1588
Annotation	Picealactone B
Peak:m/z	Relative Intensity
55.01861	1.4
55.05493	2.2
67.05484	3.6
69.03424	21.0
69.48608	1.0
69.87051	1.1
71.04977	1.4
71.35135	1.3
71.35443	1.2
77.87419	1.0
79.05493	1.6
81.07050	1.0
82.65127	1.0
83.04969	2.4
91.05467	3.8
93.07032	2.4
95.04959	14.8
95.08571	2.6
98.98460	51.6
99.04452	1.4
105.06986	2.7
107.08547	1.6
109.02827	1.9
109.06506	2.6
113.05997	1.1
116.99496	1.9
119.08554	2.9
120.08070	3.8
121.06501	2.5
123.08030	6.4
128.06241	2.4
129.06984	2.8
131.08533	3.9
133.10052	1.3
134.25081	1.1
135.08070	2.0
141.05417	1.7
141.06996	1.8
142.07741	2.5
143.08539	4.4
145.06502	1.9
145.10069	1.9
147.08011	2.6
151.07544	2.0
153.06956	3.3
155.08519	4.8
156.09320	2.0
157.10085	4.5
159.08038	5.9
161.09637	3.8
163.07549	1.3
165.06972	8.9
166.07690	2.9
167.08594	5.6
168.09210	1.1
169.10126	6.2
171.08067	2.5
172.08772	1.4
173.09630	2.0
174.99216	9.3
175.07574	1.7
177.09138	1.7
178.07735	3.2
179.08530	5.3
180.09335	7.1
181.10110	11.6
182.07196	1.1
182.10832	2.1
183.08107	3.2
183.11656	4.6
185.09636	4.7
185.13200	1.7
187.07481	1.7
187.11194	3.4
189.09114	1.3
191.08585	3.9
192.09340	4.2
193.10086	8.7
194.07349	1.8
194.10887	1.3
195.08072	6.9
195.11685	14.3
196.08765	5.9
196.12430	1.7
197.09602	8.0
197.13237	3.3
198.10248	1.4
199.11136	3.1
203.10544	1.6
205.10080	7.3
206.10841	4.0
207.11693	9.1
208.08806	12.7
208.12329	2.2
209.09602	38.8
209.13043	1.7
210.10469	5.6
211.07602	1.6
211.11165	10.5
212.11650	1.1
213.12608	5.7
215.10623	1.8
217.10167	1.8
219.08145	2.4
220.12418	3.4
221.09621	6.1
221.13170	2.0
222.10413	4.6
223.11168	63.1
224.11935	60.2
225.09077	2.9
225.12675	15.0
225.30763	1.2
227.10651	2.3
230.10959	1.9
233.09642	7.1
234.10364	2.3
235.11186	8.0
235.14841	4.7
236.11954	6.9
237.12643	3.5
239.10695	4.2
239.14294	4.1
241.12247	6.6
245.13301	1.6
248.11955	6.7
249.09134	1.5
249.12671	2.9
250.13440	2.0
250.99968	2.2
251.10606	3.6
251.14276	7.3
253.12213	3.6
253.15933	4.4
261.09219	1.6
263.14319	13.6
264.11426	1.4
265.12341	1.2
265.15796	5.7
265.65518	1.2
266.12906	1.3
267.10086	1.5
267.13745	3.1
269.11609	2.7
273.12781	3.1
276.11588	6.1
279.13821	9.9
281.15350	15.9
291.13754	7.3
297.14792	3.8
299.16339	4.8
309.14825	26.0
327.15884	100.0
328.16141	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	327.1588
Annotation	Picealactone B
Peak:m/z	Relative Intensity
55.05507	1.5
59.65860	1.0
61.40458	1.0
61.46888	1.1
65.59584	1.0
67.05493	4.1
69.03076	1.4
69.03429	19.8
69.07073	1.6
70.65060	3.2
71.04980	1.1
79.05494	2.7
81.03352	1.1
81.07033	1.1
83.04970	2.1
85.02914	1.2
91.05460	4.0
92.00946	1.0
93.07033	3.1
95.04966	13.2
95.08607	3.9
98.98463	71.9
99.04452	1.3
105.07008	4.0
107.04911	1.3
107.08577	2.2
109.02885	1.7
109.06506	2.4
113.05933	1.2
115.05431	1.0
116.99464	1.7
117.07043	1.1
119.08569	3.3
120.08089	11.6
121.06490	3.0
123.08041	4.9
128.06189	1.4
129.06999	1.8
131.08557	4.4
133.10103	1.6
135.08008	3.2
141.05464	1.1
141.06996	1.4
142.07747	2.5
143.08521	4.3
145.06448	1.7
145.10109	2.0
147.08051	3.7
149.05949	0.9
151.07500	1.5
153.07018	1.3
155.08511	3.9
156.09448	2.1
157.10110	4.6
159.07996	5.2
159.11702	1.6
161.09558	3.2
165.06938	10.9
166.07700	2.5
167.08534	4.1
169.10123	4.4
170.07358	1.0
171.08023	3.3
171.11655	1.4
172.08836	2.3
173.09587	2.7
174.99246	11.1
175.07547	1.3
175.11096	1.9
177.09071	1.9
178.07744	1.7
179.08530	5.2
180.09351	7.5
180.45055	1.0
181.06482	2.6
181.10121	9.9
182.10875	2.0
183.08069	3.3
183.11673	4.7
185.09621	5.9
185.13176	1.5
187.07600	2.2
187.11212	3.9
188.08401	1.1
190.07813	1.5
191.08607	2.2
192.09329	3.3
193.10141	7.9
194.07243	1.9
194.10867	1.8
195.08076	5.7
195.11705	17.5
196.08806	5.0
196.12444	2.1
197.09656	5.0
197.13188	3.7
198.10304	1.6
199.11121	3.7
201.09041	1.6
203.08696	1.3
203.10692	2.9
205.10098	4.5
206.10863	3.2
207.08089	1.5
207.11670	7.2
208.08815	10.1
208.12329	1.5
209.09596	31.2
209.12970	1.9
210.10353	5.4
211.07622	1.8
211.11151	12.8
213.09183	1.8
213.12698	6.1
215.10547	2.3
217.10182	1.9
218.10782	1.5
219.08101	1.8
220.12422	3.6
221.09653	4.6
221.13147	3.6
222.10330	2.5
223.11169	60.2
224.11938	59.9
225.09105	2.5
225.12666	15.3
225.16273	1.8
226.09868	1.8
230.10851	1.9
233.09601	7.7
234.10335	2.0
235.11247	5.0
235.14818	5.5
236.11978	4.2
237.12767	2.9
237.16183	1.3
238.13451	1.4
239.10680	4.0
239.14374	3.5
241.12213	14.6
243.13899	1.8
245.13245	2.1
246.10677	1.3
247.11197	1.6
248.11916	8.1
249.09102	1.4
249.12793	4.6
250.13408	2.4
250.99933	1.9
251.10693	2.9
251.14296	5.9
252.11371	2.0
253.12233	3.3
253.15918	6.4
261.09259	2.5
261.12845	1.3
263.14297	15.6
264.15015	1.4
265.12552	1.0
265.13089	1.0
265.15897	7.6
267.13870	2.1
269.11707	2.5
273.12830	1.3
276.11426	5.2
279.13727	8.6
281.15381	18.8
283.16895	1.9
291.13834	10.5
292.11658	1.4
297.14777	3.4
299.16446	5.6
309.14871	24.0
310.12616	1.3
327.15891	100.0
328.16202	3.4
333.57303	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1588
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
51.02388	0.3
53.03935	0.3
55.01863	1.1
55.05497	0.2
57.03434	0.2
65.03938	0.4
66.04713	0.2
67.05490	0.5
69.03415	0.3
69.81051	0.9
69.81474	0.3
77.03902	0.3
79.05487	2.2
81.07055	1.3
83.04979	0.3
89.06039	0.2
91.05469	5.0
93.07022	0.5
94.04165	1.9
95.04933	1.2
95.08591	0.4
98.98454	42.8
103.05454	16.7
104.05779	0.2
105.04510	0.3
105.07019	8.0
107.04270	0.3
107.04942	2.8
107.08591	0.3
108.05736	0.4
109.06508	2.4
111.04397	0.2
115.05455	1.5
116.98716	0.3
116.99482	2.0
117.07014	2.3
119.04935	1.7
119.08578	0.4
120.05730	0.3
121.02887	0.2
121.06489	5.5
122.03638	6.6
123.04417	2.2
123.08026	0.9
128.06198	0.7
129.06961	1.1
130.04166	0.2
131.04913	18.4
133.06474	33.4
134.06815	0.7
135.04390	0.2
135.08035	10.6
136.05196	0.6
136.08391	0.2
137.05959	100.0
138.06297	1.9
140.01041	0.5
141.07002	0.3
142.07712	0.2
142.91405	0.2
143.04932	1.1
143.08568	0.4
144.05663	0.4
145.06461	7.6
147.04395	3.9
147.08028	2.2
148.05186	0.3
149.05966	1.9
151.07526	11.4
152.07976	0.2
153.06969	0.4
155.06023	0.3
157.06476	2.8
159.08125	0.5
160.05167	0.6
161.05968	0.5
162.06761	0.6
163.03899	1.7
163.07521	49.4
164.07870	1.2
165.09132	0.7
169.06454	0.2
171.08014	1.3
172.05177	0.3
173.05919	0.2
174.06763	0.3
174.97678	0.3
174.99202	6.7
175.03893	12.8
175.07507	3.2
176.04614	1.3
176.08076	0.2
177.05498	0.3
177.09044	1.2
179.08559	0.2
183.08041	0.2
187.07486	1.6
188.08260	0.2
189.05402	1.3
189.09076	2.4
194.07208	0.4
201.09015	0.2
202.07806	0.6
203.08783	0.3
203.10608	1.9
205.04901	2.0
205.06473	0.3
206.05212	0.2
207.08031	0.6
207.11678	0.4
217.04913	0.3
217.10135	0.6
219.08014	0.4
220.08778	0.9
221.09497	0.4
225.09029	0.4
233.09653	0.4
235.07584	0.2
235.11102	1.9
245.09598	1.4
246.10048	0.2
248.08340	0.6
249.08931	0.2
251.00000	1.4
253.08670	0.3
253.11995	0.2
261.09134	0.2
263.10663	3.8
265.08615	0.3
265.12268	0.2
277.12204	0.2
281.15219	0.3
295.13245	13.5
296.13586	0.7
309.07486	0.2
312.13449	0.4
325.14404	0.3
327.08621	10.7
327.15836	13.5
328.09052	1.3
328.16251	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1587
Annotation	Limbatenolide E
Peak:m/z	Relative Intensity
53.03940	1.7
57.03423	1.4
58.06593	2.2
61.78912	1.5
63.48988	1.4
65.03931	1.8
67.05498	3.5
69.03416	15.3
69.07066	1.9
69.75211	10.5
71.04997	2.2
79.05495	7.7
81.07027	4.4
83.04971	1.7
91.05461	7.2
93.07027	6.1
95.04967	14.0
95.08590	5.3
98.98463	62.0
105.06999	9.3
107.04981	3.3
107.08576	5.6
109.02865	3.9
109.06500	4.9
111.08019	2.0
115.05492	1.9
116.99509	2.8
117.07020	4.8
119.08585	8.7
121.06485	7.0
121.10194	1.4
123.04430	4.0
123.08047	7.8
128.06172	2.7
129.06984	4.4
131.08560	6.5
133.06485	3.4
133.10110	4.3
135.08040	4.9
141.06982	3.2
142.07802	4.0
143.08578	7.4
145.06490	6.0
145.10176	3.1
147.08057	7.4
147.11578	2.0
151.07555	4.4
153.06950	2.8
154.07788	1.6
155.08531	4.0
156.09241	1.7
157.10135	3.0
159.08051	11.2
161.09586	13.6
163.07516	2.1
165.06987	6.6
165.09180	1.6
166.07770	4.3
167.08545	6.5
168.09395	1.9
169.06465	1.6
169.10138	7.2
171.07996	2.6
171.11656	2.8
172.08777	1.9
173.09602	4.4
174.99226	4.9
175.07480	3.4
175.11180	2.3
177.09158	3.0
178.07745	3.6
179.08543	10.6
180.09341	4.5
181.06439	2.5
181.10100	6.9
182.07233	1.8
182.10785	1.8
182.22754	1.8
183.08069	5.7
183.11726	3.7
184.08862	2.3
185.09607	8.5
187.07588	2.1
187.11177	4.3
189.09070	2.9
191.08592	4.5
192.09369	3.8
193.10152	9.5
194.10954	3.5
195.08061	4.4
195.11699	7.0
196.08887	4.3
197.09608	9.2
197.13254	2.9
198.10452	2.5
199.07648	1.6
199.11186	4.2
202.09856	1.9
203.08620	1.9
203.10606	3.9
205.10130	7.0
206.10928	4.7
207.11639	4.0
208.08852	3.7
208.12433	2.3
209.09615	10.3
209.13171	3.0
210.10388	2.8
211.11121	9.9
213.12752	3.3
215.10588	2.0
219.08070	2.4
219.11670	1.8
220.12428	4.6
221.09573	6.6
221.13234	3.4
222.10397	5.6
223.11186	16.4
224.08464	2.0
224.11870	5.7
225.09093	3.7
225.12688	5.7
233.09666	10.2
234.10297	4.6
235.11180	7.7
235.14780	4.2
236.08185	1.8
236.11974	6.1
237.12672	3.8
239.10701	2.9
239.14328	3.4
241.12311	4.6
247.11250	2.2
248.12000	10.0
249.09117	3.1
249.12764	7.0
251.10670	4.2
251.14293	12.4
253.12132	3.4
253.15945	5.1
261.09134	2.2
263.14340	16.2
265.12216	4.9
266.13046	4.5
267.13757	10.9
276.11386	4.1
279.13809	5.1
281.15356	14.6
291.13651	9.5
298.10477	1.7
299.16367	5.6
309.14825	28.6
312.12164	3.9
327.15891	100.0
328.15918	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	327.1588
Annotation	Picealactone B
Peak:m/z	Relative Intensity
62.06092	4.0
67.05492	2.7
67.82978	0.8
69.03425	4.2
69.07056	1.8
69.74715	5.7
79.05480	1.6
81.07058	3.5
83.08609	1.9
83.25635	0.9
91.05469	3.3
93.06980	1.8
95.04966	3.9
95.08591	4.2
98.98463	100.0
105.07012	2.4
107.04932	0.9
107.08601	1.7
109.06531	1.4
109.10136	1.8
116.99517	5.2
117.00246	1.1
117.07027	0.8
119.08546	1.6
121.06497	1.6
121.10131	1.5
123.08098	1.0
128.06216	0.8
131.08525	1.5
133.06494	0.9
133.10123	1.7
134.08179	0.8
135.08041	1.1
140.01065	2.9
141.06973	1.2
142.07738	1.5
143.08577	1.8
145.06398	0.9
145.10081	1.0
147.08028	1.7
152.06166	1.0
153.06944	0.8
157.10132	1.8
159.08057	3.4
161.09579	1.9
166.07880	1.2
167.08600	1.0
169.10179	1.3
171.08073	1.4
173.09554	0.9
174.99219	15.9
178.07800	1.5
179.08589	1.4
181.06474	0.9
181.10132	1.7
182.07256	0.8
183.08084	1.1
183.11607	1.1
184.08780	0.9
185.09615	1.3
186.10312	0.9
187.11142	0.9
191.08496	1.6
193.10150	3.4
195.08040	1.8
195.11635	2.2
196.08775	1.3
197.09660	2.5
199.11192	1.5
203.08629	1.0
204.59724	0.8
205.10182	1.4
206.10863	3.0
207.08049	0.9
207.11655	2.0
208.08786	1.5
209.09557	3.5
211.11157	3.1
213.09120	1.3
219.08073	1.0
219.11684	1.1
220.12444	1.5
221.09581	2.1
222.10277	1.1
223.11186	3.2
224.11850	1.0
225.12781	1.2
233.09669	4.3
235.11220	1.5
235.14859	2.0
237.12828	1.4
239.10703	1.8
239.14215	1.0
247.11020	1.2
248.11996	3.4
249.09003	0.9
249.12665	1.8
250.99989	3.0
251.10620	1.2
251.14325	1.4
263.14368	4.1
267.13757	1.2
269.11887	0.8
276.11533	0.9
279.13843	1.0
281.15237	3.0
291.13821	4.5
309.14896	5.8
312.12280	0.9
327.07776	1.2
327.15881	32.2
328.15903	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	327.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01857	1.0
55.05505	0.7
56.96560	1.8
57.03436	1.5
58.71959	0.3
59.04984	0.4
60.94685	0.3
61.02923	4.3
61.90356	0.3
62.06046	0.3
64.57032	0.3
67.05495	0.9
69.03427	8.0
70.03766	0.3
70.06612	0.7
70.34915	1.3
70.35680	0.3
71.04980	1.3
73.02905	1.7
76.07626	0.6
77.01646	0.3
78.48454	0.3
79.01831	0.5
79.05492	0.8
81.03414	1.7
81.07056	0.7
83.04968	1.1
84.04483	0.4
84.08164	0.4
85.02901	13.2
85.06544	0.6
86.03239	0.8
87.03277	0.4
87.04478	0.9
89.00678	0.3
90.05535	0.9
91.03939	0.6
91.05496	1.1
93.07036	0.7
95.04964	3.3
95.08607	0.8
97.02898	5.0
98.21470	0.4
98.98463	100.0
99.04450	1.0
101.02406	0.5
103.03937	1.0
105.07019	1.0
107.08628	0.3
109.02868	1.8
109.06513	0.6
110.01331	0.3
110.07159	0.7
111.02032	0.4
111.04444	0.5
112.07616	0.3
113.02317	0.4
113.05994	0.4
116.98615	2.3
116.99501	5.2
117.00291	0.4
119.01865	1.7
119.08587	0.5
120.08105	3.5
121.02898	0.4
121.06480	0.3
121.10100	0.3
123.04472	0.4
123.08022	0.6
124.99158	0.3
125.05904	0.3
127.03914	3.7
128.02316	0.5
128.98610	0.5
129.07011	0.5
131.00136	0.5
131.01868	0.6
131.07016	0.3
131.08592	0.7
133.06493	0.6
133.10097	0.5
134.02286	1.0
134.06042	0.4
134.99651	0.9
135.03067	0.4
135.08046	0.6
137.05972	0.6
139.03961	0.7
140.00084	0.3
140.01071	1.0
143.02768	3.1
143.08539	1.0
143.53044	0.3
145.03433	0.5
145.04950	2.3
145.06456	0.6
145.10143	0.7
146.99641	0.8
147.03206	0.4
147.04329	0.4
147.08038	0.9
149.01257	0.8
149.04448	9.9
151.07599	0.4
152.03354	0.5
153.00575	0.5
153.01831	6.7
153.02980	0.7
153.06900	0.4
154.02148	0.6
155.08492	0.5
156.03632	0.4
156.09428	0.4
156.97490	0.9
157.10123	0.7
158.99643	0.8
159.08038	1.1
161.01166	0.7
161.02930	1.1
161.05952	0.4
162.01753	0.5
163.06107	0.4
163.07417	0.4
164.05157	0.5
164.07057	2.1
164.55460	0.4
165.05632	0.5
165.06874	1.9
166.05031	0.4
166.07260	5.9
166.08672	0.7
167.07072	0.9
167.08511	0.6
168.01813	0.3
168.09334	0.6
169.10167	0.7
170.99574	0.4
171.01242	0.3
171.08163	0.5
171.11659	0.3
172.08818	0.4
173.01248	0.5
173.03006	0.6
173.09630	0.7
174.99272	14.3
176.03233	0.4
177.00705	0.9
177.09081	0.6
178.04991	0.5
178.07727	0.5
178.55312	0.3
179.08559	0.8
180.09317	1.5
181.03514	0.3
181.06506	0.4
181.10121	2.0
182.10915	0.4
183.05092	0.4
183.08046	0.5
183.11742	0.7
184.03038	0.7
185.09583	0.8
186.04678	0.4
187.07547	0.5
187.11201	0.5
189.00716	0.5
191.02242	0.4
191.08516	0.6
192.09383	0.4
193.00348	0.4
193.03778	0.4
193.10106	1.3
194.07269	0.4
194.10991	0.3
195.08043	1.2
195.11725	2.8
196.08844	1.3
197.02922	0.4
197.09607	1.2
197.13153	0.4
198.02983	0.4
198.10414	0.5
198.98569	0.4
199.11174	0.5
201.00739	0.6
203.03984	0.6
205.10150	0.8
206.04382	1.0
206.10870	0.7
207.03313	0.4
207.11707	1.5
208.08788	2.0
209.09590	6.4
210.10246	0.6
211.07642	0.4
211.11159	2.4
213.03349	0.5
213.09084	0.5
213.12791	0.8
215.04927	2.9
215.10786	0.5
215.55147	0.5
219.01732	1.0
219.03561	0.5
220.12404	0.6
220.54407	0.5
221.05035	0.9
221.09659	0.8
221.13350	0.6
222.10410	0.9
223.11176	10.0
223.13214	0.7
224.04340	0.4
224.06282	0.5
224.11957	10.4
225.09143	0.5
225.12778	2.8
228.03879	3.9
228.54066	0.6
230.05489	0.4
233.09567	1.3
234.10336	0.4
235.11179	1.2
235.14836	1.0
236.11978	0.8
236.57224	0.7
237.02541	0.6
237.04565	1.2
237.06467	0.6
237.12779	0.5
237.16269	0.4
239.10652	0.8
239.14270	0.4
241.12227	2.0
242.97514	0.7
245.05125	0.6
245.58044	0.6
246.06210	1.2
248.11909	1.6
249.12727	0.5
250.99973	2.8
251.10565	0.5
251.14360	0.9
253.12117	0.5
253.15918	0.9
257.56494	0.5
261.09021	0.6
263.14322	2.0
264.15115	0.4
265.12036	0.7
265.15872	1.8
266.13010	0.4
267.09985	0.5
267.13858	0.7
269.11566	0.5
270.96976	0.3
276.11691	0.7
279.13879	1.3
281.15341	2.8
286.07748	0.5
291.13834	1.7
292.11603	0.7
297.14853	0.7
299.16394	0.9
309.11258	0.6
309.14804	4.1
310.09485	0.5
310.12946	0.8
321.10168	0.4
326.60663	1.1
327.06937	1.5
327.10831	1.2
327.15933	15.4
328.12732	1.0
328.16498	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1589
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
55.05501	1.3
56.96554	0.6
57.07074	0.5
65.03928	0.4
67.05504	1.6
69.03410	1.3
69.07067	2.2
71.04984	0.5
71.08634	0.6
71.59302	0.6
72.95165	0.3
77.01620	0.3
79.05491	1.9
81.07051	4.7
81.98215	0.3
82.01361	0.3
82.43332	0.3
83.04953	0.4
83.08626	1.5
85.02899	0.8
85.06527	0.7
91.05474	12.1
93.07011	1.8
94.04186	0.6
95.04947	2.4
95.08601	4.0
97.02905	0.3
97.06541	0.5
97.10203	0.5
98.98457	100.0
103.05482	0.8
103.25711	0.3
105.07013	2.4
107.04955	1.5
107.08589	2.0
109.06509	1.0
109.10159	2.7
111.04453	0.3
111.11738	0.5
115.05429	0.4
116.98670	0.6
116.99495	5.9
117.07048	0.7
117.65977	0.3
119.04929	7.6
119.05772	0.4
119.08579	2.3
121.06462	0.5
121.10129	1.7
122.03633	1.7
123.04420	0.4
123.08083	0.8
123.11706	0.7
125.09609	0.3
128.06242	1.0
128.15945	0.3
129.07033	0.6
131.04924	0.8
131.08560	0.7
133.06494	1.2
133.10094	0.7
135.08023	1.0
135.11716	0.9
136.05196	1.1
137.05966	35.0
137.09584	0.6
137.13245	0.4
138.06343	0.5
140.01070	2.5
142.07745	0.4
143.08549	3.8
145.06493	0.8
145.10117	1.4
147.04355	1.4
147.08122	0.3
147.11664	1.2
149.13231	1.0
151.07532	44.1
152.07835	0.6
153.01831	0.4
153.06961	0.4
155.08559	0.5
157.10118	1.1
159.08022	1.9
159.11699	0.6
161.06032	0.4
161.09550	0.7
161.13257	0.6
163.07515	2.2
163.14792	0.3
164.08315	0.5
165.09096	4.9
167.08539	0.5
169.10109	0.6
169.12274	0.3
171.08022	3.8
171.11736	0.8
172.08818	0.8
173.06053	0.3
173.09592	0.6
174.99217	15.6
175.03912	1.5
175.07483	0.6
177.09044	0.4
177.16447	0.4
179.08534	0.8
181.10092	0.5
185.09608	1.2
185.13231	0.5
187.07596	0.4
188.08313	6.4
189.08952	0.6
190.95366	0.6
193.10153	0.4
195.11734	0.6
197.09700	0.8
199.11082	0.3
203.10651	19.2
204.11063	0.6
205.10146	0.5
206.10693	0.3
207.08101	0.3
208.08807	0.6
209.09601	0.7
211.11165	1.0
213.16393	0.4
221.09770	0.4
224.11996	0.5
225.09065	0.6
232.96300	0.3
233.09630	0.8
235.07541	0.4
239.14185	0.4
241.08699	0.4
241.12299	0.5
248.11880	0.5
250.97586	0.6
250.99956	3.3
253.08607	0.6
253.12527	0.3
253.15851	0.5
263.14307	1.0
266.09189	0.3
267.10114	0.7
267.13770	0.4
273.25589	0.5
281.15314	0.8
283.09775	0.7
291.13693	1.0
291.26660	0.7
295.09589	0.5
295.13251	0.4
309.14810	1.4
309.27847	0.7
327.08472	1.4
327.12366	1.6
327.15863	16.9
327.19293	1.0
327.23022	1.4
327.26462	0.6
328.16281	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1588
Annotation	Picealactone B
Peak:m/z	Relative Intensity
53.03934	2.5
55.01847	1.5
55.05504	1.3
57.03428	1.4
65.03944	1.0
67.05482	4.4
69.03423	17.2
69.07058	2.0
71.04959	1.3
71.09595	2.2
77.03952	1.1
79.05479	6.0
81.07035	4.5
83.04961	3.1
85.02866	1.1
91.05470	9.3
93.07031	4.4
95.04956	16.3
95.08578	4.7
98.98459	90.1
101.85812	1.0
105.07020	10.2
107.04919	2.8
107.08550	3.7
109.02904	1.6
109.06519	5.4
115.05452	3.4
116.99490	4.0
117.06996	3.8
119.08569	7.0
121.06496	5.4
121.10124	1.7
123.04457	2.7
123.08041	7.0
128.06252	4.8
128.75851	1.0
129.06964	4.6
131.08559	7.5
131.48058	1.0
133.06485	3.0
133.10104	3.9
135.08014	6.4
137.05931	1.3
140.01053	3.3
141.06944	3.7
142.07735	3.4
143.08554	8.7
145.06503	3.2
145.10107	2.5
146.07254	1.5
147.08015	9.4
149.09605	3.2
151.07516	3.7
153.07002	2.7
154.07767	2.3
155.08521	4.7
156.09294	1.9
157.06523	1.5
157.10104	4.5
158.07297	1.6
159.08040	17.9
159.11688	3.1
160.08794	1.7
161.09613	8.9
163.07520	3.8
165.06976	5.9
166.07764	3.9
167.08540	4.8
168.09357	1.6
169.06439	2.2
169.10077	7.0
169.83531	1.1
171.01384	3.1
171.08006	4.7
171.11722	2.3
172.08838	1.2
173.09595	6.3
174.99229	13.6
175.07556	2.9
175.11183	2.1
177.09068	2.5
178.07805	3.3
179.07112	1.4
179.08517	9.4
180.09329	3.8
181.06473	1.9
181.10088	8.5
182.07278	1.3
183.08052	3.9
183.11705	3.2
184.08829	1.7
185.09599	7.1
186.10332	1.1
187.07527	3.4
187.11118	3.6
189.09061	2.8
190.07771	1.3
191.08559	3.2
192.09338	2.8
193.10146	11.3
194.10962	2.6
195.08090	5.0
195.11700	6.7
196.08801	4.2
197.09619	9.2
197.13216	2.2
198.10309	1.6
199.11143	4.3
201.09038	2.1
203.08609	1.2
203.10631	2.7
205.10175	6.8
205.11887	1.4
206.10840	6.1
207.08084	2.1
207.11716	5.1
208.08801	3.7
208.12372	1.7
209.09628	12.6
209.13205	3.5
210.10307	3.6
211.07605	1.4
211.11157	9.5
213.09099	2.9
213.12704	3.1
215.08588	2.3
215.10649	3.1
218.07318	1.7
218.10808	1.5
219.07997	3.7
219.11731	2.5
220.12411	4.6
221.09642	7.2
221.13202	3.5
222.10318	4.0
223.11145	11.5
223.14807	2.7
224.11958	3.9
225.09088	4.3
225.12703	5.1
227.10667	3.6
230.10880	2.3
233.09621	12.7
234.10355	3.9
235.11127	5.4
235.14854	3.7
236.11957	4.6
237.09126	2.5
237.12726	4.7
239.10727	7.3
239.14388	6.6
241.12259	2.8
245.13318	2.2
246.10318	1.8
247.11139	4.5
248.12010	7.7
249.09061	3.4
249.12712	5.8
251.00061	1.9
251.10576	4.3
251.14389	7.0
252.11560	1.3
253.12221	3.3
253.15828	3.8
261.09006	2.2
261.12805	1.5
263.14328	13.2
264.11398	1.4
265.12247	2.8
266.12988	3.7
267.11005	1.4
267.13760	8.6
269.11688	2.1
273.12656	2.5
275.10562	1.6
276.11337	4.0
279.13760	4.2
281.15344	13.0
285.14667	1.4
291.13782	12.3
292.14124	1.3
299.16492	5.0
309.14795	27.4
327.15854	100.0
328.16144	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	327.1588
Annotation	Picealactone B
Peak:m/z	Relative Intensity
52.14909	0.8
53.03930	1.9
55.05504	2.0
57.07060	1.9
67.05481	3.2
69.03429	7.9
69.07066	1.5
71.08594	1.0
77.54747	0.9
79.05474	1.6
81.07043	1.6
83.04961	1.2
91.05471	3.9
93.07033	2.7
95.04955	7.2
95.08606	2.1
98.98461	100.0
103.05460	0.9
105.07016	4.6
107.04919	1.8
107.08597	3.5
109.02871	0.9
109.06522	2.8
109.10194	1.0
110.23252	1.1
111.04409	1.5
115.05500	1.6
116.99505	4.3
117.07037	1.2
119.08582	3.2
121.06527	2.4
123.04395	1.5
123.08035	3.5
128.06184	1.1
129.07016	2.6
131.08572	2.1
133.06548	1.7
133.10083	2.3
135.08087	2.1
137.05960	1.4
140.01076	3.4
141.06960	2.5
142.07758	2.3
143.08545	3.9
145.06461	1.9
145.10094	2.2
147.08025	2.6
152.06163	0.9
153.07074	1.4
154.07713	1.2
155.08549	3.1
156.09386	1.5
157.10078	3.2
159.08064	6.4
159.11627	1.3
160.90242	1.0
161.09654	2.5
163.07532	1.8
165.06984	3.6
166.07738	2.3
167.08447	2.3
168.09344	1.2
169.06480	1.0
169.10129	4.0
171.08078	1.8
173.09639	2.6
174.99208	18.2
177.09128	1.0
178.07774	2.5
179.08557	3.8
180.09290	3.5
181.06493	1.4
181.10078	4.3
182.10811	1.0
183.08072	2.2
183.11678	1.7
184.08832	1.2
185.09579	4.7
187.11073	1.8
190.07709	1.5
191.08521	2.6
192.09322	2.7
193.10141	7.9
194.10832	2.4
195.08025	4.3
195.11691	3.4
196.08838	1.8
197.09587	4.7
197.13260	1.0
199.11137	1.9
201.08946	1.3
203.08649	1.8
203.10573	1.8
205.10120	2.8
206.10802	4.8
207.08081	1.9
207.11717	3.7
208.08838	1.9
209.09581	8.8
209.13303	2.3
210.10410	1.9
211.07556	1.0
211.11195	4.7
213.09065	2.2
215.08546	1.6
215.10703	1.1
218.10773	1.5
219.08028	3.0
219.11768	1.1
220.08832	1.3
220.12585	2.0
221.09560	4.6
221.13248	3.1
222.10269	2.0
223.11201	5.9
224.11951	1.4
225.09128	3.1
225.12650	2.1
226.09972	1.2
227.10646	2.1
229.12067	1.1
230.10907	1.8
233.09669	9.5
234.10332	3.2
235.11134	2.8
235.14825	1.6
236.11903	1.7
237.09225	1.7
237.12701	2.2
239.10651	3.4
239.14328	3.7
241.12328	2.0
245.13126	1.3
247.11021	2.3
248.11909	6.8
249.09042	2.8
249.12717	3.3
251.00067	2.5
251.10695	2.1
251.14333	2.3
252.11290	1.3
253.12177	1.5
253.15802	1.0
261.09100	2.3
263.11511	1.3
263.14246	7.8
265.12250	1.9
266.13196	1.3
267.13846	2.4
269.11807	2.3
273.12625	1.6
275.11063	1.3
276.11484	2.6
279.13736	1.8
281.15274	8.3
291.13736	9.1
299.16504	1.2
309.14893	12.6
327.15887	67.4
328.16156	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	326.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.0
55.05508	0.8
57.03430	1.2
59.04986	1.7
61.02914	1.9
67.05505	0.7
69.03417	3.0
69.07066	54.2
69.25710	7.2
70.35960	0.7
71.04967	0.9
73.02924	0.8
73.06557	2.7
81.03405	1.9
83.04987	1.5
84.04492	1.0
85.02898	13.3
87.08102	100.0
88.08434	0.7
91.03906	0.8
97.02924	2.9
97.06515	1.1
98.20737	1.5
98.98464	60.7
99.04473	0.6
100.11245	0.7
105.09127	2.8
109.02894	0.9
116.99509	2.3
119.10697	21.4
121.06477	0.6
123.08046	1.2
127.03935	1.4
128.10742	4.4
129.09119	3.8
144.09415	0.6
145.04974	2.2
147.10159	73.4
148.10519	1.1
153.01842	1.4
154.12268	1.2
156.10204	1.7
163.11165	0.7
164.10774	0.8
169.06592	0.7
174.99226	9.7
175.03915	0.6
197.06038	1.0
215.07028	1.1
225.05557	2.0
243.06616	2.1
251.00079	2.2
253.04944	4.2
271.05978	0.6
281.04401	5.9
281.18918	0.6
282.05328	1.0
298.04721	1.1
299.05551	2.0
303.21921	0.6
309.04022	2.2
309.11771	0.7
310.04764	0.6
326.24530	1.1
327.04968	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	326.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77333	0.4
59.48959	0.4
62.86087	0.4
68.49200	0.4
70.08140	1.2
70.08557	1.1
70.98447	0.3
88.92957	0.4
98.98462	15.3
101.00844	0.5
114.91675	0.4
116.99474	0.6
119.01920	5.4
123.93473	0.3
124.52651	0.4
137.02933	1.9
142.97243	0.4
158.99934	0.5
159.06139	0.4
170.48805	0.4
174.99126	2.5
177.00937	14.0
178.01022	2.6
179.00665	0.8
182.99864	0.4
183.06168	0.5
186.81819	0.4
193.74625	0.4
201.00961	1.3
201.07101	0.5
201.12660	0.5
202.07443	0.7
217.04019	2.1
217.99072	0.5
218.03670	1.4
219.01994	23.2
220.02043	6.3
221.01790	1.8
222.01871	0.5
225.00833	2.7
234.99983	1.2
236.00072	6.2
236.02386	0.7
236.99706	1.6
241.99016	1.0
242.03636	0.6
243.01930	5.7
244.02101	1.5
250.99904	0.4
254.01106	2.6
255.00810	0.7
258.99973	2.0
260.00107	10.3
260.04538	0.9
261.03030	100.0
262.03171	21.9
263.02841	2.5
265.99155	1.0
274.98117	0.5
277.01022	2.9
278.01138	14.2
279.00842	4.8
282.99905	3.4
284.00098	22.0
284.04684	7.6
284.99802	8.0
285.04715	1.6
292.99728	0.8
301.00970	8.3
302.01147	58.1
303.00864	20.6
303.05511	5.6
307.06500	0.6
319.02130	1.1
320.02161	5.6
321.01935	2.1
325.02673	2.4
326.01074	2.3
326.07028	1.0
327.00754	0.8
343.03763	0.5
344.02228	16.7
345.01956	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	325.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.6
57.07055	4.9
67.05501	12.8
69.07062	24.0
71.08604	2.4
79.05481	5.7
81.06584	2.3
81.07052	33.2
83.08611	7.1
91.05471	3.7
93.07037	13.2
95.08601	65.5
96.08954	2.1
97.10150	6.0
105.07039	12.0
107.08578	22.7
108.56258	1.6
109.06535	1.7
109.10153	31.1
111.11703	8.1
117.07006	2.7
117.34481	1.6
119.08572	22.3
121.10121	16.3
123.11692	13.4
131.08556	10.4
133.10115	16.7
135.11681	7.4
137.13257	7.2
142.07819	1.8
143.08540	3.2
145.10107	19.4
147.11668	13.2
149.13239	7.9
157.10094	4.1
159.11670	16.0
161.13260	21.6
163.14819	6.8
171.11603	3.4
173.13222	14.6
175.14828	13.6
177.16406	4.0
179.17964	4.5
185.13307	4.6
187.14809	25.8
188.15147	2.6
189.16327	8.3
191.17975	11.3
201.16393	13.6
203.17924	3.8
213.16406	3.0
215.17972	13.0
217.19487	3.3
227.17868	3.1
229.19447	9.7
241.19565	4.7
255.21056	3.7
269.22690	3.9
325.28897	100.0
326.14215	2.1
326.29175	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2735
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
51.45076	1.0
53.03937	1.7
54.08065	1.0
55.05507	27.5
57.07074	9.1
67.05500	22.2
69.03423	2.3
69.07064	49.2
69.41296	2.1
69.41697	7.8
71.04969	1.5
71.08617	3.0
79.05496	7.7
79.41359	1.0
81.07053	75.5
83.04965	1.4
83.08615	19.3
85.06529	12.4
85.63339	1.0
91.05477	1.7
93.07043	16.7
95.04968	2.5
95.08602	100.0
97.06510	4.7
97.10162	23.7
99.08100	13.4
105.07036	7.4
107.08589	18.8
109.06540	1.5
109.10152	46.5
111.08080	5.0
111.11716	10.6
113.09634	2.0
119.08572	5.9
121.10151	11.8
123.08044	1.3
123.11698	24.6
125.09624	3.4
125.13277	2.9
133.10153	4.7
135.11681	9.0
137.09599	1.4
137.13243	10.1
139.11189	10.3
143.10667	2.4
145.10135	2.0
147.11661	4.0
149.13240	10.3
151.11194	4.0
151.14807	22.8
153.12720	2.1
157.12222	6.1
159.11737	1.5
161.13268	4.0
163.03864	1.5
163.11220	1.7
163.14778	6.8
165.12764	2.3
165.16391	3.7
166.43675	1.3
167.14352	1.3
170.14726	1.2
175.14836	3.4
177.12837	1.2
177.16382	3.2
179.14273	3.7
183.13846	1.9
189.16405	2.6
191.17924	3.3
193.15956	3.3
195.17448	1.7
203.17949	2.0
207.17490	3.0
215.17889	2.7
219.17418	2.0
221.18958	1.2
223.16887	2.3
233.19026	2.3
237.18456	5.4
251.20071	3.1
261.25739	2.7
263.23813	1.2
271.24231	4.3
277.25229	1.8
279.26712	5.4
289.25244	11.9
307.26276	34.2
308.26703	1.2
325.27344	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	325.2736
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03927	1.5
55.05508	27.2
57.03426	1.9
57.07071	7.6
59.04988	2.1
67.05497	24.0
69.03417	3.4
69.07064	50.1
69.40668	5.0
69.41088	10.9
71.04987	2.7
79.05478	11.3
79.32088	1.7
81.07054	77.6
83.04960	1.8
83.08613	18.6
85.06535	13.3
91.05437	2.8
93.07033	19.0
95.04937	2.4
95.08601	100.0
97.06507	3.4
97.10166	26.5
99.08092	12.9
105.07038	7.6
107.07914	2.7
107.08574	18.3
109.10151	47.0
111.08083	7.8
111.11713	12.4
118.46395	1.5
119.08590	6.9
121.10143	14.6
123.08030	1.9
123.11699	26.9
125.09624	4.8
125.13252	1.7
133.10129	6.7
135.11691	10.9
137.13242	9.2
139.11163	10.8
143.10680	1.7
145.10114	2.9
147.11671	6.8
149.13261	9.7
151.11156	3.5
151.14815	18.9
153.01857	3.0
153.12741	2.7
157.12248	3.7
159.11684	5.3
161.13264	4.8
163.03970	2.6
163.14804	6.0
165.12750	3.1
165.16367	3.3
167.14308	2.3
173.13295	3.3
175.14789	2.5
177.16446	1.9
179.14279	4.3
179.17961	2.1
190.75330	1.7
191.17955	4.2
193.15871	3.7
197.15332	2.0
201.16403	2.9
207.17555	2.1
209.19109	1.8
213.65155	1.6
215.17932	2.0
221.19060	2.3
223.16891	2.2
233.19025	3.1
237.18504	4.3
251.20053	2.4
261.25769	2.2
271.24127	4.1
277.25034	2.4
279.26810	6.4
289.25262	8.3
307.26312	28.3
325.14301	2.4
325.27396	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	325.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65894	2.6
53.03947	3.5
55.05508	34.5
56.96556	4.2
57.07067	14.1
65.03915	3.7
65.27928	2.6
67.05495	39.1
69.03429	9.2
69.07063	58.9
70.86933	7.0
70.87322	6.2
71.04999	6.3
71.08628	9.3
79.05479	17.3
81.07051	91.6
83.04949	3.6
83.08609	29.0
85.02897	3.7
85.06509	5.4
91.05451	18.0
92.05811	3.2
93.07040	34.8
95.04965	8.7
95.08603	100.0
95.67390	3.0
97.06501	9.8
97.10167	25.6
99.04457	3.7
99.08132	2.8
103.69606	3.3
105.07032	23.9
107.05000	3.1
107.08597	39.9
108.08887	3.8
109.06509	56.7
109.10143	51.4
111.08089	12.0
111.11713	8.5
117.06976	5.8
119.04965	3.7
119.08578	27.9
121.06502	21.6
121.10133	33.8
123.08088	10.8
123.11713	34.9
125.09618	7.3
125.13274	8.6
131.08560	8.0
133.10098	14.5
135.08049	38.5
135.11676	22.1
137.05934	3.3
137.09583	5.3
137.13242	9.4
143.08557	6.2
145.10107	19.2
147.04408	7.9
147.11674	11.2
148.04739	5.6
149.09576	3.3
149.13239	12.8
151.11162	4.7
151.14841	5.3
153.12695	4.7
154.00458	3.0
157.10109	3.7
159.11716	11.7
161.13275	8.4
163.03900	9.6
163.07359	3.2
163.11162	14.9
163.14822	9.5
165.12759	4.5
171.11681	4.6
173.13266	6.5
175.14827	5.8
177.12718	7.3
177.16397	5.5
179.14336	4.4
179.17938	9.0
185.09608	3.1
187.14812	4.5
189.16373	4.3
191.17964	6.1
197.13206	3.3
201.16301	6.7
215.17934	9.2
217.19487	3.3
219.17467	4.0
261.25760	6.1
271.24207	24.9
279.26764	6.9
289.25269	32.4
293.08093	3.6
307.26306	18.3
325.10693	7.2
325.14273	8.5
325.21521	8.2
325.27869	5.9
326.14685	3.7
346.69043	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	325.2735
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03942	4.4
55.05512	29.4
56.96558	5.8
57.07077	26.8
63.31907	3.2
65.80770	3.2
67.05502	29.5
69.03413	11.9
69.07066	66.2
71.08614	8.7
71.59482	3.4
71.59908	5.7
76.77180	3.5
77.68739	3.5
79.05505	21.3
81.03400	6.5
81.07058	89.8
81.43228	3.2
83.04991	4.8
83.08604	33.0
85.06528	4.3
85.10158	5.6
91.05474	22.7
93.07040	46.4
95.04977	8.8
95.08605	100.0
97.06514	7.7
97.10162	20.5
105.07018	31.7
107.04952	4.5
107.08588	52.6
108.65067	3.4
109.06512	81.4
109.10159	53.5
111.08064	14.3
111.11711	13.2
116.64167	3.4
117.06989	6.3
119.04940	3.3
119.08568	34.3
121.06518	29.9
121.10130	39.4
123.08044	16.1
123.11719	30.7
125.09615	6.1
125.13277	4.2
127.03915	4.3
131.08562	10.8
133.10123	23.3
135.08060	56.5
135.11681	24.6
136.08401	4.2
137.06024	5.3
137.09554	3.2
137.13237	12.0
145.10139	20.6
147.04373	12.0
147.11662	11.6
148.04764	5.2
149.04955	3.6
149.09581	8.6
149.13222	10.0
151.11169	8.2
151.14809	10.5
159.11687	10.0
161.06068	4.3
161.13254	13.1
163.03836	7.4
163.11200	27.7
163.14818	9.3
171.11565	4.3
173.13266	9.6
175.14778	8.7
177.12773	9.4
177.16458	4.3
179.14293	4.3
179.17934	11.9
189.16374	10.4
201.16333	8.8
205.19659	4.8
215.17924	11.3
216.18102	3.6
217.19460	5.1
218.65205	4.1
231.66672	3.4
271.24197	36.4
289.25287	36.3
307.26294	10.8
325.10718	7.1
325.14395	7.9
325.21561	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	325.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21033	0.5
53.03935	1.6
55.01865	9.3
55.05511	0.7
56.96563	1.4
57.03433	9.9
58.29237	0.5
59.05002	0.6
61.02922	9.6
69.03425	38.2
71.01353	1.2
71.04985	2.4
71.58130	0.5
71.58550	0.6
73.02914	6.6
81.03417	5.5
83.01360	0.9
83.04974	0.8
84.98306	0.5
85.02899	100.0
86.03229	1.2
87.04459	2.2
87.58926	0.6
91.03951	1.9
97.02885	34.3
99.04446	9.5
99.05084	0.7
101.02373	6.8
103.03930	0.8
109.02869	5.8
115.03945	4.6
119.01865	2.4
123.04437	0.7
127.03907	71.6
133.05032	0.8
145.04956	43.5
146.99641	0.7
150.01788	0.6
154.04753	3.3
161.01100	0.7
163.06009	5.1
165.05510	0.8
174.56123	0.8
181.05528	1.3
185.03015	0.7
205.05608	2.8
213.03358	0.8
217.05603	2.0
220.04189	1.3
222.03908	0.7
235.07378	4.3
235.57552	0.6
237.02696	0.6
237.52708	0.8
244.07927	2.8
252.29279	0.6
307.08701	6.4
308.08978	0.9
325.09897	1.8
325.13904	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1395
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
53.03946	0.2
55.01863	0.2
56.96554	0.9
57.03424	0.7
61.02908	0.8
69.03426	2.2
69.07049	0.2
70.16547	0.5
70.16968	0.5
71.04987	0.3
73.02906	0.8
81.03401	0.9
85.02902	5.3
86.09711	0.4
87.04473	0.4
91.03918	0.3
91.05473	0.6
97.02885	2.2
98.97590	1.0
99.04443	0.5
109.02866	0.6
110.97558	0.3
112.99126	0.2
116.98625	0.5
117.05725	0.4
118.06535	3.0
127.03926	1.6
128.98575	0.5
133.07620	3.7
134.99654	0.3
139.03934	0.3
145.07599	100.0
146.08377	1.6
146.99651	0.4
147.09135	0.7
153.01797	1.3
155.01901	0.2
163.05064	1.6
163.08655	57.8
164.07047	0.3
164.08992	0.9
165.00699	0.2
173.01236	0.4
177.00739	0.3
189.00720	0.3
191.02304	0.6
193.08371	0.4
201.00668	0.3
211.04405	0.2
219.01787	0.6
237.02779	1.4
240.05766	0.3
259.06662	0.3
317.05334	0.5
325.13922	87.4
326.14243	1.1
335.06204	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.01662	0.8
55.01868	9.3
56.96560	6.0
57.03434	13.1
59.05004	1.0
61.02927	14.1
69.03426	45.6
69.94302	4.8
70.03741	1.3
70.06559	1.2
71.01343	1.4
71.04982	5.0
73.02910	13.9
79.01810	1.5
81.03416	12.0
83.01328	1.5
83.04957	1.7
84.04526	1.0
84.08135	2.0
85.02900	100.0
86.03224	2.3
87.04472	5.1
91.03948	4.7
95.04969	1.4
97.02887	39.0
98.03210	1.6
98.97562	8.5
99.04465	8.7
100.02106	1.1
100.99146	1.4
101.00882	2.1
101.02393	5.2
105.07002	1.1
109.02866	8.2
112.03677	1.1
115.03923	1.5
116.98627	5.1
117.02011	1.4
118.03703	1.9
118.06501	3.1
119.01887	10.2
120.02020	1.3
121.01603	1.2
123.02934	1.2
125.02352	1.1
126.80470	1.2
127.03915	50.9
128.02290	4.3
128.04221	1.6
128.98595	2.3
131.00162	1.9
131.01868	3.1
133.03381	3.0
133.07607	4.2
134.02310	1.0
134.99649	2.3
137.02864	2.3
138.05460	1.3
141.03963	1.3
143.01862	2.8
143.03406	1.1
145.01669	2.9
145.03439	3.3
145.04993	31.6
145.07593	93.1
146.05209	1.3
146.08237	1.2
146.99683	2.4
147.03156	1.0
149.01218	2.1
151.30878	1.0
153.01828	16.1
154.03731	2.4
154.04779	16.8
154.54820	4.1
155.01837	2.5
156.03549	1.0
157.01672	1.4
157.03471	3.0
158.99654	2.0
161.01161	2.4
161.02966	4.9
163.02686	7.9
163.04231	7.0
163.05415	18.3
163.08655	48.4
163.55336	3.6
164.07111	1.4
171.05013	2.1
173.01390	1.6
173.02925	4.3
173.06694	1.0
174.56039	3.3
175.02747	2.5
175.04500	3.4
177.00726	3.0
177.04198	1.7
181.03952	1.9
181.05573	6.6
182.05768	1.7
183.05026	2.0
185.02925	3.5
186.04619	1.2
187.04494	1.9
189.00702	2.5
189.06161	1.2
191.03828	1.1
193.03679	1.1
197.02969	1.9
199.04485	1.2
200.04504	1.2
201.00771	1.9
203.02267	1.2
203.04001	2.1
205.03857	1.2
205.05577	17.7
206.05879	2.2
211.04700	1.5
213.03374	8.2
213.53671	1.5
217.05542	9.6
219.01755	3.6
219.07159	3.1
220.04111	1.5
221.04993	2.8
222.03897	3.8
223.01149	2.3
226.06635	1.2
229.04538	2.0
230.05760	1.1
233.04976	1.1
235.01120	1.4
235.07098	20.7
235.57393	4.2
237.02852	4.5
241.05524	2.9
244.07213	17.2
244.57597	1.6
245.05052	4.7
245.07541	2.3
247.06624	3.9
249.08234	1.2
259.06644	1.5
261.55670	1.1
305.10507	1.5
307.08789	34.2
308.08841	5.1
309.08603	1.2
321.10287	2.4
325.09583	11.8
325.13879	87.5
326.10272	2.5
326.13983	1.6
337.09656	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2168
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
53.03941	0.9
54.20929	0.5
55.05510	2.3
63.02363	0.6
65.03935	0.6
67.05505	3.7
69.03392	1.0
69.07069	10.1
79.05486	3.4
81.03426	2.0
81.07056	7.8
83.04984	3.5
84.08127	0.9
86.09702	100.0
91.05477	10.1
92.05830	1.1
93.07041	11.3
95.04971	2.4
95.08612	2.5
104.29090	0.5
105.03423	0.8
105.06409	0.5
105.07030	14.1
107.08604	3.7
109.06509	8.9
109.10172	1.8
111.08064	3.9
112.11255	1.5
116.98563	0.7
117.07060	0.6
119.04952	4.9
119.08588	3.6
120.05276	1.1
120.53852	0.6
121.06461	0.6
121.10136	1.0
123.08067	1.1
123.11719	1.2
128.10736	4.9
129.13892	0.9
131.08601	4.1
132.10196	32.0
133.10120	17.6
135.08014	0.8
143.08459	0.6
147.04405	17.6
147.11684	13.7
148.04736	6.0
149.09615	1.9
149.13228	1.1
151.07625	3.3
151.11174	42.5
156.10222	1.8
157.10126	0.9
165.12753	1.1
174.11320	0.7
175.11211	3.2
193.12222	5.3
194.75278	0.6
204.10156	3.0
205.10555	1.4
208.16856	1.3
209.17314	1.0
210.14886	1.2
222.14928	0.9
235.07407	0.5
260.20081	6.4
275.17642	1.3
276.17938	1.2
278.21155	30.4
279.24371	1.3
280.24704	1.2
292.10294	0.7
306.20663	7.6
324.21686	24.4
324.25574	1.2
325.14148	1.2
325.21799	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1068
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
56.96559	0.3
61.02902	0.4
69.03426	1.7
70.06567	0.3
71.04990	0.4
79.05486	0.6
80.51007	0.3
81.07047	0.6
85.02899	2.4
85.06537	0.7
86.09659	0.3
89.03894	0.3
91.05451	0.2
97.02882	1.1
99.04446	0.6
99.08072	0.7
102.14677	0.2
103.74940	0.3
106.06522	0.5
107.04942	0.3
109.02901	0.3
109.06479	0.4
110.07187	0.5
116.04969	0.9
120.08089	0.2
122.07157	0.3
123.04461	0.3
127.03899	0.9
127.07545	2.7
130.06541	0.9
139.03915	0.8
140.04201	0.3
145.04990	0.6
145.08626	1.9
153.01788	0.4
162.05493	100.0
163.03897	1.5
163.05836	2.5
165.89558	0.3
167.09224	0.3
172.08690	0.2
173.02931	0.3
174.03764	0.5
190.09694	1.3
191.08168	0.7
220.40080	0.3
247.13289	0.3
306.15063	0.3
307.12723	0.4
308.05786	0.6
324.10565	22.0
324.15210	2.8
331.33768	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.8
53.03937	0.8
54.36078	0.6
55.01857	1.6
55.05496	2.1
56.05019	1.3
56.96542	2.9
57.03418	2.1
57.07059	1.3
58.06579	1.8
60.04266	0.7
60.04522	9.1
61.02927	3.3
65.03916	0.7
67.05492	1.7
69.03075	0.9
69.03417	9.9
69.07040	0.7
70.06588	13.5
70.72444	1.6
70.72798	1.1
71.04977	1.7
71.07915	0.7
72.08132	2.7
73.02897	2.0
73.06554	0.8
74.06049	0.8
75.04454	0.8
76.04007	0.6
77.74853	0.5
77.89835	0.5
79.01453	0.8
79.01846	9.4
79.05474	1.1
81.03420	3.7
82.06565	1.1
82.23394	0.6
83.04971	5.8
83.22292	0.5
84.07635	0.6
84.08135	12.8
85.02897	19.2
85.06525	2.6
86.06067	1.2
86.09701	5.9
87.04458	1.9
88.07623	2.4
91.03949	1.0
91.05436	0.9
93.06999	0.7
96.08106	1.4
97.02887	9.5
97.06508	1.8
98.06109	0.7
98.09671	0.9
98.96925	1.1
98.97574	22.7
99.04439	2.6
100.07598	2.2
101.05992	1.1
102.09172	1.6
105.07034	0.7
107.01313	1.8
109.02861	3.5
109.06496	0.8
113.02351	0.8
114.09167	1.6
116.98608	19.7
118.06531	0.8
118.08650	4.2
123.00755	1.0
123.04469	0.7
125.02328	4.7
126.09176	0.7
127.03907	7.8
127.07536	1.1
128.98586	0.9
130.08594	0.7
133.06458	0.6
133.07520	0.9
134.99648	9.9
139.03891	1.4
143.03391	11.3
144.03708	0.9
144.10184	4.2
145.04974	5.5
145.07596	20.8
145.08563	0.8
146.99640	1.4
147.04352	0.6
153.01816	100.0
153.02786	3.8
154.02155	5.6
158.99641	12.0
159.99974	0.6
161.01154	1.0
161.02971	0.9
161.04674	0.9
162.05464	5.1
162.11241	36.6
163.03909	0.8
163.07318	1.0
163.08653	14.2
167.07031	1.3
169.10774	0.5
177.00697	24.3
178.01076	0.9
187.04485	0.6
189.00705	0.7
191.53815	0.6
195.01782	2.1
200.02347	2.2
219.01721	9.7
221.05000	0.8
227.06819	0.6
237.02852	3.0
243.05415	1.0
244.07411	0.7
250.54288	0.7
259.06079	1.7
303.07474	10.2
304.07913	0.8
321.08545	13.0
322.08960	1.2
324.10040	1.0
324.13196	0.9
324.16516	21.0
325.13879	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	323.2577
Annotation	8-HETrE
Peak:m/z	Relative Intensity
53.03925	1.1
55.05259	1.2
55.05507	16.1
57.07074	7.8
59.04983	1.2
67.05494	11.2
69.01649	0.6
69.03417	2.6
69.07060	29.4
69.48691	0.7
71.04975	1.4
71.06005	1.5
71.06380	0.8
79.05483	7.1
81.07051	68.8
82.07359	1.1
83.04975	3.2
83.08608	3.6
85.06528	4.6
91.05473	2.6
93.07040	13.4
95.04941	1.7
95.08599	27.2
97.06522	4.5
97.10162	27.1
99.08078	0.9
105.07019	5.9
107.08586	14.4
109.06491	1.5
109.10151	10.2
111.08071	2.4
111.11720	8.6
115.11166	1.0
119.08570	4.6
121.10136	14.3
123.11697	100.0
124.12030	2.4
124.49353	0.8
125.09624	1.3
133.10136	4.6
135.08136	0.9
135.11670	3.5
135.32147	0.7
137.09644	1.3
137.13232	2.1
139.11169	20.3
145.10110	1.4
147.11665	4.6
149.13258	13.6
153.12686	0.8
157.12231	17.8
159.11687	1.4
161.13254	2.9
163.14813	3.2
165.12737	1.7
175.14799	1.6
177.16405	1.3
189.16388	2.6
203.12770	3.1
203.18044	2.0
221.18999	1.5
235.17116	0.9
249.18523	1.9
252.36377	0.8
259.24246	1.9
264.50699	0.8
277.25342	2.0
287.23602	1.8
305.24734	20.6
306.25000	0.9
323.25821	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	323.258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	5.1
56.96569	1.7
57.03425	1.9
57.07077	54.8
59.04994	3.0
61.46895	2.0
67.05492	14.4
69.07061	6.8
71.04987	5.0
71.59915	2.2
71.60307	2.2
79.05495	4.1
81.07051	20.8
83.04958	9.7
83.08610	2.8
85.06536	30.5
91.05472	3.3
93.07045	7.5
95.04967	100.0
95.08607	16.0
96.30443	1.6
97.10145	2.5
98.97581	3.1
99.04468	3.1
105.07024	7.7
107.08598	7.4
109.06514	4.5
109.10162	11.6
116.98618	3.6
118.02614	1.9
119.08573	7.3
121.10136	8.7
123.11703	9.3
131.08563	2.1
133.10147	5.1
134.99696	3.2
135.08055	2.7
135.11758	3.0
137.13246	5.2
143.08463	2.1
145.10136	5.8
147.04425	2.6
147.11682	6.7
149.13156	2.5
151.11168	3.4
153.00601	2.1
157.10112	4.4
159.11687	3.3
159.54434	1.8
161.13242	4.4
185.13307	3.2
187.14836	10.8
201.16319	2.1
203.17943	1.8
205.15977	1.9
213.16420	2.2
219.33551	1.8
221.19022	3.7
258.99692	2.9
269.22629	3.8
277.00836	3.1
287.23700	8.8
288.24356	3.5
305.21426	3.3
305.24704	9.6
323.12509	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2578
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.00282	1.4
53.03932	2.3
53.60706	1.4
55.05259	2.3
55.05507	30.1
57.03417	2.5
57.07077	12.4
59.04985	1.9
67.05163	2.6
67.05499	27.0
69.03395	2.9
69.07061	32.1
71.05025	4.1
71.08631	2.3
79.05485	18.5
80.26855	1.6
81.07052	100.0
82.07372	2.5
83.04968	4.5
83.08607	15.0
85.06525	8.4
91.05469	9.9
93.07042	33.1
95.04963	4.7
95.08601	81.3
97.06512	11.6
97.10162	23.6
98.97570	1.7
99.08089	2.2
99.30518	1.5
105.07037	20.2
107.04920	1.4
107.08585	38.1
109.06536	9.5
109.10149	41.3
111.08086	9.9
111.11693	4.8
119.08584	21.6
121.06503	2.8
121.10130	34.8
123.08072	3.8
123.11701	28.3
125.09595	12.9
131.08551	3.4
133.10118	18.7
135.08038	6.7
135.11682	25.7
137.09613	6.8
137.13217	16.8
139.11168	7.5
143.10663	3.0
145.10094	3.9
147.11688	12.4
149.09639	2.4
149.13261	26.4
151.11133	4.4
153.12776	2.5
159.11674	6.4
161.09538	1.8
161.13242	13.2
163.11227	3.2
163.14796	10.0
165.12740	4.2
165.16399	2.6
167.88660	1.5
171.11661	1.4
173.13226	4.2
175.11096	2.4
175.14816	9.0
177.12750	1.4
177.16399	9.3
179.14352	3.3
179.17993	2.7
187.14624	1.8
189.16368	10.1
193.15863	4.1
195.17462	3.0
197.18996	4.0
199.14777	2.4
203.18027	2.7
205.15973	1.6
213.16327	2.4
235.17003	4.1
249.18332	1.6
257.22525	2.2
259.24194	5.5
269.22641	3.9
275.23669	3.5
277.25238	10.9
284.04614	1.6
287.23761	10.0
293.24680	4.0
305.21289	2.3
305.24725	38.2
306.25220	2.7
323.25812	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	323.2578
Annotation	8-HETrE
Peak:m/z	Relative Intensity
53.03939	2.9
55.01873	2.2
55.05511	28.6
57.03413	3.3
57.07071	9.6
65.29601	1.9
67.05500	32.0
69.03410	2.3
69.07065	41.9
69.43052	19.6
71.04987	5.8
71.08630	4.6
77.26372	2.2
79.05488	21.8
80.05881	2.1
81.07051	90.1
83.04979	19.3
83.08610	19.1
84.34961	2.0
85.06548	3.5
91.05496	14.3
93.07038	56.6
95.04975	6.2
95.08600	100.0
97.06532	10.4
97.10155	20.2
99.08084	2.4
105.07032	30.5
107.08585	55.9
109.06532	6.8
109.10146	56.5
111.08076	12.8
111.11728	6.9
113.09621	2.1
119.08566	26.8
119.09363	2.9
121.10128	40.7
123.08083	3.3
123.11696	33.9
125.09637	12.0
133.10120	35.2
135.08043	2.7
135.11690	35.1
137.09592	10.1
137.13274	7.8
139.11191	9.5
145.10127	4.7
147.11681	19.2
149.13257	48.8
151.11165	8.6
151.14862	2.6
153.12762	4.2
159.11679	7.2
161.13269	11.7
163.11240	2.4
163.14801	16.6
165.12788	7.9
165.16397	4.5
173.13295	3.2
175.14885	6.5
177.16376	11.7
179.14377	3.6
182.46472	1.8
187.14738	2.7
189.16338	17.8
191.14282	2.3
193.15831	3.1
195.17494	2.7
196.76088	1.9
203.17950	4.4
205.19473	1.9
207.17540	2.2
216.20003	1.8
223.16789	1.8
245.64558	2.1
257.22565	4.1
259.24197	16.3
269.22705	7.0
275.23633	5.4
277.25244	27.3
287.23590	11.4
289.73074	2.2
293.24759	6.8
305.24719	55.5
323.25793	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	323.2579
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03939	2.5
55.01851	1.3
55.05507	35.8
57.03429	2.6
57.07076	10.9
66.81553	1.1
67.05502	28.6
68.05828	0.9
69.03443	2.5
69.07066	44.9
69.41194	6.8
69.41612	2.8
71.04983	5.7
71.08618	4.1
79.05490	19.3
81.07053	100.0
82.07388	1.2
83.04989	7.4
83.08608	18.6
85.06530	6.0
91.05476	10.6
93.07038	50.8
94.07355	1.4
95.04970	5.2
95.08601	91.6
96.08925	1.9
97.06528	13.9
97.10168	27.4
99.08089	2.4
105.07022	21.8
107.08591	55.5
109.06513	5.3
109.10150	49.8
110.10471	1.5
111.08076	13.5
111.11707	8.5
113.09679	1.9
115.11173	1.6
117.06997	1.3
119.08582	27.5
120.45995	0.9
121.10136	39.4
122.10459	1.3
123.08057	3.6
123.11700	45.3
125.09607	12.8
131.08583	1.7
133.09152	0.9
133.10127	23.1
135.11684	29.7
137.09613	6.0
137.13258	11.7
139.11179	11.3
143.08592	1.0
143.10655	2.2
145.10123	4.0
147.11681	15.7
148.12007	1.3
149.09700	1.2
149.13251	44.0
150.13596	2.0
151.11188	6.9
151.14816	2.2
153.12656	5.3
157.10083	1.5
157.12218	5.8
159.11688	6.2
161.13246	11.5
163.11134	1.6
163.14813	13.2
165.12750	5.3
165.16429	3.2
167.14279	1.9
173.13239	3.0
175.14824	10.8
177.12698	1.9
177.16362	10.2
179.14301	2.9
181.12302	1.0
181.15938	1.5
183.17340	1.1
187.14809	3.4
189.16394	11.3
191.14276	2.8
191.17950	1.5
193.15912	3.8
195.13782	1.5
195.17439	2.2
199.14764	1.2
201.16406	1.5
203.17909	2.0
205.15891	1.5
207.17520	2.6
209.15369	1.3
213.16354	2.7
215.17920	1.5
217.19580	1.8
223.16849	2.3
235.16924	2.3
249.18376	1.6
257.22589	2.5
259.24200	9.8
269.22659	4.8
275.23645	6.4
277.25259	21.3
278.25620	1.3
287.23679	9.3
293.24634	8.1
305.24734	48.0
306.25073	4.0
306.28275	1.1
323.25784	26.5
324.26059	1.2
337.34589	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2579
Annotation	8-HETrE
Peak:m/z	Relative Intensity
53.03926	2.4
53.06964	1.3
53.48252	1.1
55.01861	3.1
55.05508	45.9
57.03417	5.1
57.07076	10.9
59.04988	5.4
64.43484	1.2
65.03934	1.4
67.05499	34.7
69.03439	7.7
69.07064	94.2
71.04982	5.3
71.08625	1.8
71.59878	2.1
73.06551	4.2
79.05488	14.3
81.03403	2.4
81.07053	87.0
83.04971	8.1
83.08615	15.0
85.02900	2.7
85.06143	1.3
85.06553	11.7
91.05477	8.3
93.06467	2.4
93.07042	44.4
94.82482	1.2
95.04970	5.5
95.08602	100.0
96.08928	2.0
97.06516	15.1
97.10166	81.5
99.08099	5.2
101.05981	1.8
105.07016	14.7
107.08588	40.8
109.06506	5.6
109.10148	36.6
111.08072	17.6
111.11718	27.0
111.12506	1.6
115.11193	4.8
119.04930	3.5
119.08574	11.4
121.10139	35.4
123.08054	2.4
123.11700	53.2
125.09614	8.1
131.08557	2.4
133.10126	10.2
135.11691	19.4
137.05934	4.4
137.09650	3.7
137.13235	10.0
139.11168	65.7
140.11496	1.6
143.08601	1.2
143.10695	6.4
145.10104	3.6
147.04398	24.0
147.11655	8.7
149.13248	40.1
151.11174	6.6
151.14804	1.8
153.01816	5.2
153.12720	12.1
157.10246	2.6
157.12233	58.3
158.12495	1.9
159.11684	4.9
161.05975	5.3
161.13287	6.5
163.11154	1.8
163.14825	6.8
165.12778	4.9
165.16367	1.4
167.10602	1.5
167.14326	2.1
171.11636	1.4
171.13797	4.4
175.14856	3.6
177.03281	1.4
177.12767	1.8
177.16409	2.9
189.16440	4.0
191.14352	1.8
192.14256	1.3
195.13716	1.4
199.07587	1.3
203.08615	1.9
203.12733	14.7
203.14240	1.4
203.18013	1.5
205.16023	1.7
207.17456	1.3
209.15395	1.5
209.36978	1.4
213.16428	2.7
231.20923	1.5
231.88283	1.6
235.16859	1.8
237.18446	1.4
248.08044	1.9
249.18445	2.3
249.22234	2.3
259.24124	1.4
263.23581	1.3
269.22446	1.6
277.25266	8.2
279.23273	1.2
287.23672	3.4
291.10181	5.9
305.24731	52.2
306.25003	2.6
323.12851	5.7
323.25793	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	323.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.9
57.07073	100.0
59.33677	0.8
67.05485	4.2
69.07064	4.5
69.41341	8.1
79.05489	1.5
81.07059	5.6
83.08604	3.5
83.57108	0.8
85.06541	98.2
86.06870	1.0
91.05492	1.4
93.07021	2.2
95.08593	3.5
97.10168	7.5
105.07011	3.1
107.04870	1.0
107.08579	3.1
109.06508	10.2
109.10135	3.3
119.08578	3.0
121.06485	3.2
121.10143	1.5
123.11697	5.7
131.08548	1.5
133.10100	2.3
135.08064	5.0
139.14848	0.9
149.09386	0.9
161.13281	1.2
175.11134	1.2
187.14845	2.0
188.29199	0.9
197.18994	34.4
198.19417	1.7
223.48135	0.9
233.19046	1.7
255.34462	0.9
287.23663	2.2
305.24734	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	323.2577
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
55.05502	14.3
57.07072	85.3
58.06573	1.9
64.03373	1.8
67.05498	9.1
69.07061	10.4
69.43433	3.9
69.43839	11.9
70.34512	1.6
79.05476	5.6
81.03402	6.8
81.07047	21.4
83.04987	2.7
83.08615	6.0
84.08128	3.8
85.06539	100.0
91.05469	17.0
93.07040	12.8
93.74143	1.7
95.04960	3.7
95.08594	12.1
97.06493	2.1
97.10159	6.5
105.07001	7.5
107.08601	10.7
109.06525	9.6
109.10152	12.3
112.11218	4.6
118.98295	1.8
119.04934	18.3
119.08548	6.8
121.06491	2.5
121.10164	10.2
123.11727	11.0
129.13860	2.1
131.08546	1.8
133.10115	11.6
135.08057	5.5
135.11676	8.2
137.13226	2.0
147.04399	66.2
147.11641	4.0
148.04712	5.1
149.13245	7.8
151.11107	3.5
159.11693	2.7
163.14833	2.7
175.14813	1.8
187.14857	3.6
197.19008	31.1
200.95282	1.8
204.10181	8.1
208.16937	6.7
233.19101	1.9
247.00784	1.7
259.24197	2.6
269.22379	2.3
275.17517	9.6
277.25269	2.0
279.24344	4.9
287.23615	2.8
305.24713	17.9
323.25946	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	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01866	3.7
55.05264	1.2
55.05508	16.1
57.07066	1.2
59.04991	1.0
62.06081	5.0
65.03898	0.9
67.05172	1.3
67.05500	14.2
68.79784	0.8
69.03423	5.0
69.06719	1.3
69.07066	15.4
69.93929	2.9
69.94344	1.8
71.04982	1.8
71.92731	0.6
79.05489	12.6
81.03399	2.1
81.07052	13.6
83.04958	2.4
83.08611	8.6
91.05467	7.4
93.07040	13.1
95.04948	5.1
95.08599	8.2
97.02880	2.6
97.06514	2.8
97.10167	16.1
105.07030	7.0
107.04935	3.0
107.08585	10.5
109.06524	1.7
109.10154	4.4
111.08069	1.5
112.54456	0.7
117.06972	3.8
119.08579	7.4
121.06446	2.1
121.10123	4.8
123.08025	3.6
123.11646	2.0
125.09619	14.1
129.06973	2.3
131.08583	5.7
133.06482	2.4
133.10115	2.4
135.08046	4.0
135.11659	1.2
137.09616	1.8
141.16245	0.7
143.08568	2.2
145.10085	3.9
147.08063	3.5
147.11624	2.3
149.09593	1.1
153.09068	2.0
157.10109	2.0
159.08090	0.8
159.11664	2.4
161.09561	1.8
162.10432	0.9
163.11176	2.4
165.09085	1.9
167.08604	1.1
171.11586	1.3
173.13274	1.0
175.11172	2.1
189.11217	1.0
199.11195	0.9
203.12782	6.9
205.12163	1.1
223.13290	10.3
237.14763	1.6
239.13080	0.7
245.18878	1.1
255.17538	1.4
258.99515	0.7
260.77725	0.7
273.18414	7.1
277.00830	0.8
291.19516	100.0
292.19934	3.3
305.21118	17.8
306.21402	1.2
323.22293	2.7
323.27335	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	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.6
53.06379	3.5
53.08619	3.2
55.01858	12.5
55.05505	28.5
57.03431	6.5
57.07060	5.2
67.05501	61.4
69.03425	7.3
69.07075	27.1
70.17147	6.9
70.17541	9.2
73.18668	2.9
79.05484	45.7
81.03429	7.4
81.07053	86.5
83.01321	3.5
83.04970	27.6
83.08608	9.6
85.06560	7.6
91.05470	48.2
93.07037	55.5
95.04961	14.2
95.08601	36.2
97.06531	4.4
97.10136	6.3
99.07994	3.8
105.07019	45.6
107.04943	9.1
107.08578	48.2
109.06503	14.8
109.10143	56.2
111.04474	4.3
111.08081	7.6
117.07014	8.0
119.08579	20.8
121.06514	10.0
121.10090	17.2
123.08057	7.9
123.11697	19.1
125.05962	3.7
128.88179	3.5
129.06979	6.0
131.08566	16.9
133.06480	14.9
133.10123	100.0
135.08025	10.6
135.11697	12.6
137.05998	6.0
137.09610	4.4
139.07513	9.0
143.08511	7.1
145.10135	18.8
147.08046	5.5
147.11678	11.0
149.09604	11.2
149.13280	7.8
151.11176	82.9
157.10106	11.0
159.08038	6.1
159.11710	12.8
161.09639	9.0
163.11160	5.1
171.11720	11.7
173.13249	4.8
175.11206	8.6
177.09090	12.8
179.10674	11.1
181.10049	3.9
183.13771	31.8
185.13315	9.2
189.12767	4.2
227.17918	3.9
229.14293	3.6
237.75600	3.3
245.18993	14.5
255.17258	4.6
263.20111	14.2
272.51279	3.6
273.18494	38.0
291.19492	49.2
305.21094	24.2
305.24408	6.0
323.18494	4.9
323.22067	26.7
323.27414	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	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	13.0
55.05507	32.1
57.07069	7.4
65.38697	5.1
67.05503	63.9
69.03417	8.9
69.07075	27.2
71.04979	6.7
71.59815	6.4
79.05486	55.0
81.07056	97.7
83.01299	4.9
83.04973	31.3
83.08614	9.0
85.06533	7.1
91.05468	52.9
93.07037	62.9
95.04936	15.6
95.08601	52.0
97.02874	6.6
97.06525	12.4
97.10160	9.1
98.29829	5.2
105.07023	57.1
107.04950	16.0
107.08575	55.2
109.06516	13.4
109.10149	51.5
111.04442	6.4
111.08078	14.7
117.07005	18.0
119.08562	38.3
121.06489	16.8
121.10122	20.6
123.04402	11.1
123.08007	10.0
123.11709	10.7
125.05970	7.0
131.08514	22.4
133.06458	14.6
133.10121	86.5
135.08008	7.8
135.11681	9.7
137.05988	6.5
137.09618	9.2
139.07509	12.5
142.07782	6.8
143.08545	13.0
145.10126	18.5
147.08028	12.9
147.11700	9.4
149.09578	12.0
151.07549	7.1
151.11166	93.3
153.12674	5.8
155.08499	8.4
157.10112	13.0
159.08034	6.7
159.11678	13.2
161.09598	20.1
163.11127	10.5
163.16286	5.5
167.00758	5.2
171.11729	12.6
173.13196	6.4
177.09070	11.4
179.10609	12.6
183.13742	31.9
185.13280	14.6
199.14877	6.8
203.14334	6.6
211.13391	7.0
213.16264	6.3
245.18959	20.9
255.17485	5.2
263.20163	17.3
273.18414	50.6
284.02777	5.6
291.19516	100.0
305.21027	18.5
323.19568	16.3
323.22931	33.4
323.27420	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	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01864	5.0
55.05508	24.3
57.03437	1.2
63.02401	1.0
67.05499	17.1
69.03434	4.1
69.07066	18.8
71.08624	1.6
74.74400	1.1
75.62540	1.2
78.02225	1.0
79.05489	16.0
81.07046	18.6
83.04987	1.4
83.08614	12.6
91.05479	9.6
91.29987	1.5
93.07043	15.4
95.04968	7.0
95.08601	14.1
97.02866	3.1
97.06552	1.5
97.10164	21.3
98.20792	2.5
100.54584	1.1
105.07018	9.6
107.04948	4.5
107.08585	15.3
109.06504	2.6
109.10134	5.7
111.08054	2.6
117.07015	3.9
119.08570	11.7
119.48411	1.1
121.06492	3.4
121.10140	5.1
121.40913	1.1
123.08051	8.9
123.11679	3.0
125.09618	18.1
129.07007	2.8
131.08559	6.1
133.06502	2.8
133.10112	4.6
135.08044	4.8
135.11646	2.4
137.09631	3.0
137.13225	1.6
143.08537	2.9
145.10139	5.9
147.08078	6.6
147.11674	4.3
149.09612	2.8
151.53310	1.3
153.09090	4.4
157.10136	3.0
157.12251	1.8
159.11693	5.5
161.09543	1.4
165.09171	2.9
171.11684	2.2
175.11166	1.9
185.13188	1.6
189.11223	1.8
190.98326	1.2
193.12288	1.8
203.12808	12.3
205.12354	1.4
213.16342	1.3
223.13271	11.6
225.14905	2.1
227.17972	1.8
245.19011	2.0
249.14984	1.8
255.17542	1.3
263.19998	1.7
273.18497	11.0
291.19519	100.0
292.19833	2.1
305.21185	20.6
305.24609	2.4
323.22171	4.1
323.27481	7.3
332.75873	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0759
Annotation	Leucodelphinidin
Peak:m/z	Relative Intensity
53.00283	0.9
54.39086	0.6
55.01875	1.3
55.05492	0.6
65.03931	2.2
67.01863	2.0
67.05489	1.5
68.99783	4.8
69.03436	3.1
71.01333	0.6
71.59906	0.8
71.60271	0.7
79.05480	3.6
81.03400	1.7
83.04964	1.9
85.02886	1.6
91.05470	0.7
93.03403	1.3
95.04977	4.3
97.02891	6.2
99.04454	2.4
103.05448	0.8
105.03420	0.7
105.06993	0.6
107.04948	6.7
109.02870	3.0
111.00800	1.1
111.04430	5.0
119.04862	0.8
121.02866	1.8
121.06470	0.8
123.04428	6.7
125.02332	0.6
127.03904	3.8
131.04909	0.9
133.02850	1.9
135.04424	8.4
137.02338	2.5
139.03891	100.0
140.04277	2.6
141.06882	0.6
143.06802	0.6
145.02899	1.0
147.04382	3.5
149.02304	1.2
149.05983	1.6
150.03125	1.2
151.03908	7.4
153.01794	2.5
153.05457	1.2
155.03383	40.9
156.03746	1.9
159.04398	1.1
161.05925	0.9
163.03894	21.9
165.05429	1.2
167.03400	4.3
169.04948	1.8
173.05974	1.1
175.03926	1.5
176.16095	0.5
177.05434	1.2
179.03415	6.1
181.04956	16.8
189.05464	1.2
191.06927	0.6
191.10001	0.9
193.04944	3.5
197.04340	0.6
201.05476	1.6
203.03352	1.3
206.15007	0.6
212.04657	2.0
213.05396	1.8
215.07077	1.2
217.05020	1.3
217.09750	0.6
219.06583	0.9
221.04448	0.9
231.06516	1.8
240.04108	2.6
241.04997	1.2
243.06552	2.2
245.04410	2.1
259.06049	3.2
261.07556	4.8
263.10269	1.7
269.04410	9.7
277.07001	1.3
287.05475	10.9
305.06491	7.9
323.07516	2.8
323.11642	0.9
323.14539	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0759
Annotation	Leucodelphinidin
Peak:m/z	Relative Intensity
53.03942	1.2
55.01861	3.5
56.96549	1.4
57.03420	1.4
65.03944	1.2
67.01861	2.4
67.05505	3.8
68.99764	6.5
69.03423	2.9
69.94922	5.6
70.06575	2.6
71.04972	1.6
78.04700	1.7
79.05477	1.8
81.03406	3.1
81.07057	1.3
83.01347	3.7
83.04979	1.3
85.02899	4.1
86.09715	2.5
87.04444	1.1
90.17600	1.0
91.05486	3.1
95.04980	7.5
95.12089	1.1
96.93922	1.0
97.02893	3.7
98.97602	1.9
99.00792	1.2
99.04436	1.6
105.03378	2.8
107.04940	2.9
109.02862	3.8
111.00818	1.5
111.04440	3.5
113.02374	2.4
115.05469	1.4
116.07083	2.6
116.98642	1.2
119.04912	6.6
123.04423	88.3
124.05225	22.1
125.02360	4.2
127.03912	4.2
129.07056	1.5
131.04855	1.0
135.04395	4.1
137.02345	6.9
139.03899	34.6
141.01810	2.8
142.08661	2.5
143.04967	1.6
144.08118	1.0
145.06436	1.3
147.04402	20.4
149.02419	1.5
149.06007	1.6
151.03859	7.3
152.04686	17.4
153.01825	10.0
154.02618	4.4
155.03384	100.0
156.03815	1.5
159.04379	1.1
161.05981	2.4
163.03923	6.6
165.01703	1.0
165.05501	7.7
167.03406	3.2
171.02896	3.5
177.05557	2.1
179.03412	5.4
181.04962	2.6
182.02135	1.1
183.02834	5.0
183.04303	1.2
187.03900	1.3
189.05457	2.1
189.55777	2.7
197.04443	1.6
201.05435	1.2
203.03511	1.5
207.07680	6.1
213.05441	1.4
216.05450	1.5
217.05074	1.5
219.06560	1.4
226.98619	1.3
231.06436	1.5
245.04469	2.3
259.06064	1.8
277.07086	1.4
287.05621	3.1
288.06171	1.3
290.07782	2.9
305.02097	1.4
305.06650	2.8
306.07281	2.0
323.07541	2.4
323.11432	12.4
323.16617	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.9
56.23988	0.5
57.03436	0.7
57.91843	0.5
61.02923	0.9
67.05505	0.7
69.03419	2.2
69.86359	2.4
70.06567	0.8
70.13695	0.4
71.04977	0.6
72.33968	0.6
73.02901	0.5
79.05483	3.6
79.94965	0.5
81.07064	2.9
83.04986	2.8
83.08608	1.4
85.02896	7.4
85.06543	0.7
91.03928	0.7
91.05503	1.2
96.15839	0.5
97.02885	1.6
97.10175	0.8
98.20836	0.9
105.07017	1.1
107.08586	48.3
108.08884	0.8
109.02835	0.6
109.06544	0.7
125.09621	100.0
126.09976	2.0
127.03909	1.5
142.06557	0.7
145.04953	1.3
147.04396	1.2
160.07573	17.5
166.05862	0.5
178.63150	0.5
180.08566	0.6
211.60225	0.5
228.21590	0.5
258.01166	0.5
268.11249	0.4
276.02121	0.6
276.43967	0.5
286.00854	0.6
286.12802	0.9
304.01682	4.3
305.02643	0.5
322.02725	0.9
322.09280	0.7
322.13052	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81537	2.4
61.25892	2.2
70.29587	6.6
71.95153	2.6
74.34730	2.4
83.59048	2.8
98.21367	2.5
99.72319	2.4
111.34404	2.3
132.80769	2.6
143.01906	5.9
155.01802	3.5
161.02956	9.4
173.03001	3.6
181.68964	4.3
202.15311	2.5
206.91621	2.8
210.20781	2.3
246.17023	2.6
254.67273	2.6
323.07376	100.0
349.04993	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	323.0759
Annotation	Leucodelphinidin
Peak:m/z	Relative Intensity
55.01878	3.0
66.92432	1.4
67.01867	4.0
67.05510	3.6
68.99785	9.6
69.63762	6.6
69.64175	3.5
71.37753	1.5
78.04722	2.5
80.47515	1.5
81.03398	2.2
83.01321	4.4
83.36051	1.4
91.05478	5.7
95.04989	9.1
97.02871	2.5
98.20676	1.5
99.50165	1.5
107.04934	2.3
109.02893	4.9
111.00826	2.8
111.04431	4.9
113.02338	2.5
119.04959	11.9
123.04426	93.6
124.05244	19.8
125.02375	3.1
127.03866	2.9
131.04840	1.6
135.04411	3.8
136.07721	1.5
136.27150	1.5
137.02332	6.1
138.82841	1.6
139.03902	34.4
141.01886	3.8
147.04417	33.8
151.03920	7.7
152.04688	22.1
153.01778	9.5
154.02583	3.1
155.03387	100.0
161.06020	3.2
163.03911	7.2
165.05475	12.7
167.03433	6.1
171.02863	4.9
179.03426	6.1
179.07010	1.8
182.02196	2.4
183.02869	3.7
189.05452	2.6
213.05449	1.8
245.04396	1.9
259.05978	3.3
287.05588	2.3
290.07816	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	321.9926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	0.5
60.20473	0.1
69.61566	0.9
71.97343	0.1
75.41396	0.1
82.99837	0.2
98.97588	1.3
116.98612	1.6
118.23785	0.1
119.01916	1.5
119.15746	0.1
122.97796	0.2
134.99640	1.6
136.04535	0.1
137.02950	0.7
140.98761	0.2
142.03473	0.2
146.10181	0.1
153.00690	0.3
158.99870	0.3
160.04599	0.1
177.00951	10.5
178.01024	0.7
180.17418	0.1
182.99782	1.7
184.00111	0.1
195.02003	0.3
200.02545	0.3
201.00905	4.0
202.00963	0.3
202.93550	0.3
216.98528	0.1
217.79779	0.1
218.03561	0.4
219.01994	100.0
220.02106	7.0
220.94542	0.2
221.02496	0.6
224.02528	0.3
232.93065	0.2
232.96700	0.2
233.03563	0.2
234.99767	0.2
235.99976	0.1
236.99489	0.4
237.03064	0.3
238.95604	0.4
242.03586	7.9
243.03828	0.6
256.96622	6.8
257.96780	0.6
258.96307	0.2
258.99692	0.5
260.00262	0.2
260.04755	0.2
261.02985	0.5
262.03214	0.2
262.95691	0.4
265.05133	0.3
272.94400	0.2
274.94177	0.5
274.97644	3.2
275.97708	0.3
276.04626	0.3
276.95630	0.1
277.00739	1.3
277.33850	0.1
278.01163	0.3
279.00891	0.2
279.98254	1.3
280.96494	1.1
290.95718	0.2
292.95117	0.5
295.93420	0.1
297.28180	0.2
297.99304	0.5
298.97662	37.2
299.18845	0.3
299.94360	0.2
299.97787	3.2
300.98087	0.2
301.01172	0.2
303.98315	0.3
309.96451	0.1
316.95584	0.2
316.98621	0.6
317.93573	0.1
319.43961	0.2
319.93829	0.2
321.99277	8.0
322.99460	0.7
328.44238	0.8
328.94424	0.4
329.44104	0.2
340.95087	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	321.2422
Annotation	11,12-EET
Peak:m/z	Relative Intensity
53.03944	2.5
55.05506	21.0
56.71457	1.4
57.03432	1.9
57.07070	34.1
59.10153	1.3
67.05499	14.3
69.03429	3.4
69.07069	24.4
70.11346	8.4
71.05000	20.6
71.08630	20.9
73.06559	14.8
79.05485	8.0
81.03413	8.1
81.07053	43.5
83.04973	30.0
83.08614	7.1
85.06534	20.3
91.05475	9.5
93.07035	17.4
95.04954	6.9
95.08600	28.3
97.06525	6.1
97.10156	13.3
99.08099	7.4
101.34698	1.4
105.07033	14.1
107.04945	2.2
107.08586	26.8
109.06508	27.3
109.10139	25.6
110.10461	1.6
110.98576	1.2
111.08084	3.9
111.11704	4.0
113.09623	3.2
115.05427	2.8
117.03331	2.1
117.07006	6.0
119.08565	12.6
121.06499	36.9
121.10122	18.9
123.08060	4.3
123.11701	22.0
125.09605	4.7
131.08568	5.1
133.10132	5.4
134.59377	1.6
135.08049	100.0
135.11684	8.7
136.08376	4.2
137.05997	1.7
137.13237	6.0
139.11165	5.8
141.12720	3.0
143.08563	2.8
145.02829	3.6
145.10091	7.7
147.04330	2.7
147.08034	5.7
147.11674	8.7
149.09612	5.7
149.13298	1.9
151.07610	1.6
151.11189	2.7
157.10181	2.3
158.07161	2.4
159.08064	6.5
159.11688	8.1
161.09628	19.6
161.13242	4.1
163.11127	3.0
172.08780	1.8
173.09601	15.1
173.13263	4.6
175.11165	10.7
175.14883	4.1
177.05414	11.0
177.16357	12.2
187.11217	5.1
187.14758	2.6
189.12680	2.4
193.15903	2.0
193.65186	1.7
195.17451	26.8
196.17767	1.9
201.12740	3.8
201.16324	5.4
203.14296	5.1
205.15839	2.4
213.18469	4.9
215.14212	2.2
217.15805	1.8
219.17360	4.9
229.15828	17.7
236.15173	1.6
285.22083	4.4
303.23175	12.9
304.23608	1.9
321.09552	9.1
321.24234	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	321.2422
Annotation	(Z,Z,E)-10-Hydroxy-2,6,10-trimethyl-2,6,11-dodecatrienyl ester 2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
55.05506	13.5
55.05751	1.2
57.07069	2.7
60.55925	0.8
67.05511	3.5
69.03419	1.0
69.07065	3.6
77.62251	0.7
79.05497	1.8
81.07053	5.0
83.04974	100.0
83.08630	1.4
84.05305	1.4
85.06551	2.7
91.05458	1.9
93.07036	2.6
95.08597	5.6
97.10158	4.9
105.07037	3.3
107.08598	3.3
109.06550	4.0
109.10163	2.6
117.06967	1.1
119.08570	1.8
121.06506	4.6
121.10152	2.0
123.11682	1.6
133.10115	1.5
135.08046	28.9
136.08421	1.2
139.11211	1.3
145.10104	1.6
147.08102	1.7
149.09567	0.7
159.08109	2.0
159.11708	1.2
161.09508	1.5
164.70529	0.8
173.09671	2.6
175.11214	1.0
187.11215	1.1
195.17421	12.1
195.19052	0.8
196.17816	0.8
201.16441	1.0
229.15953	9.7
247.16986	1.8
269.10709	0.9
303.23138	11.6
303.26395	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2423
Annotation	11,15-Dihydroxy-9,10-seco-ent-labda-8E,13E,(20),triene-3-one
Peak:m/z	Relative Intensity
53.03929	0.6
54.23619	0.6
55.01860	1.9
55.05510	5.8
55.40283	0.5
56.03815	0.5
57.03420	0.5
57.07072	2.6
67.05499	8.3
69.03076	0.8
69.03423	11.7
69.07066	6.2
79.05477	3.3
81.07054	11.9
83.04988	3.1
83.08607	1.4
85.06541	21.1
91.05468	4.5
93.07041	9.7
95.04966	3.3
95.08604	12.8
97.06514	1.1
97.10165	2.5
99.08088	2.4
105.07027	6.9
107.08593	11.7
109.06510	19.9
109.10156	5.3
111.08092	3.6
115.05441	1.4
117.07037	2.8
119.08575	6.5
121.06492	13.4
121.07365	0.7
121.10121	5.4
123.08048	2.1
123.11687	1.9
125.09622	13.1
125.10532	0.7
131.08574	1.5
133.10121	3.3
135.08047	100.0
135.11629	2.8
136.08394	3.2
137.09613	1.6
137.13176	1.0
139.11191	1.8
143.08551	0.8
145.10147	3.5
147.08051	1.4
147.11687	2.3
149.09628	2.0
149.13237	1.3
151.11165	1.0
157.10136	2.3
159.08075	1.6
159.11702	3.2
161.09613	5.9
161.13257	3.2
163.11215	1.8
163.14799	1.3
165.12686	0.6
169.10107	0.9
171.11644	1.7
173.09615	2.6
173.13228	1.6
175.11171	3.3
175.14854	2.1
177.16405	1.6
183.11884	0.6
185.13281	0.8
187.11147	1.0
187.14783	0.8
189.12825	1.0
199.15050	0.6
201.12805	0.8
201.16277	0.9
203.14345	1.7
205.15851	0.9
211.14847	1.5
213.16353	0.9
215.14349	1.1
219.17442	1.1
227.17957	1.7
229.15869	4.9
231.17479	1.0
245.19084	0.7
267.21017	2.3
285.22076	4.6
303.23166	26.0
304.23611	1.8
308.13000	0.5
321.24176	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	321.2423
Annotation	18-Oxo-19-hydroxynerylgeraniol
Peak:m/z	Relative Intensity
51.71849	0.7
53.03916	0.8
55.01857	2.2
55.05506	8.6
57.03436	1.3
57.07073	3.7
58.58495	0.7
67.05502	9.7
69.03077	1.0
69.03424	11.6
69.07063	6.5
79.05492	4.6
81.03391	0.8
81.07050	14.5
83.04968	3.9
83.08614	1.9
85.06542	23.6
91.05470	6.0
93.07050	10.5
94.44803	0.7
95.04948	3.1
95.08601	15.8
97.06499	1.8
97.10157	2.5
98.97605	1.1
99.08077	3.1
105.07017	7.4
107.04950	1.1
107.08591	16.5
108.29491	0.7
109.06516	16.9
109.07251	1.3
109.10143	6.3
111.08056	4.5
115.05499	1.4
117.06985	2.3
117.11604	0.7
119.08575	7.4
121.06500	18.2
121.10139	5.8
123.08085	2.9
123.11678	1.5
125.09628	14.0
126.10047	0.7
131.08548	2.2
133.10109	3.7
135.08051	100.0
135.11653	1.9
136.08388	2.5
137.09636	2.1
137.13255	1.0
139.11191	1.3
143.08513	1.0
145.10118	4.5
147.04448	1.2
147.08089	1.4
147.11665	3.8
149.09624	3.6
149.13232	2.6
151.11163	1.2
153.06807	0.7
157.10083	2.2
159.08054	0.8
159.11679	3.0
161.09610	6.8
161.13274	3.7
163.11243	1.7
165.12700	1.2
169.10083	0.8
171.11679	1.4
173.09624	3.3
173.13255	1.8
175.11163	3.8
175.14909	0.9
177.16426	2.1
183.11717	0.9
187.11137	0.9
187.14857	1.8
189.12798	1.1
201.16457	1.9
203.14420	1.6
205.15817	0.9
211.14682	1.2
213.16475	1.0
219.17455	1.2
227.17833	1.3
229.15901	3.2
231.17207	0.9
285.22186	2.8
290.66370	0.8
303.23181	21.2
304.23566	1.9
321.24319	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2419
Annotation	(Z,Z,E)-10-Hydroxy-2,6,10-trimethyl-2,6,11-dodecatrienyl ester 2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
54.29515	0.9
55.05502	14.8
55.71892	0.8
57.19343	0.8
69.07047	2.0
69.52764	3.5
69.53186	4.3
74.10529	0.8
81.07059	3.5
82.46999	0.9
83.04974	100.0
84.05303	1.2
85.06487	1.2
86.78717	1.0
91.05436	1.0
93.07047	1.1
95.08602	3.1
97.10165	4.1
105.07022	1.1
107.08577	2.4
109.06483	2.7
109.10152	1.6
117.07053	1.1
121.06502	4.4
121.10057	0.9
133.10173	1.4
135.08047	30.1
137.05978	1.3
139.54369	1.0
145.10088	1.2
147.08031	1.2
161.09636	2.1
173.09636	2.2
187.14972	1.2
195.17439	16.8
201.16313	1.7
208.49565	1.0
229.15865	9.1
247.16835	1.5
303.23160	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	321.2421
Annotation	(E,E,E)-1,7-Dihydroxy-2,5,10,14-phytatetraen-13-one
Peak:m/z	Relative Intensity
53.03947	2.0
55.05509	18.3
56.96554	4.6
57.03440	1.7
57.07074	23.7
58.32893	1.2
59.04958	1.3
61.02919	3.2
65.03936	1.6
65.21184	1.0
66.18291	1.1
67.05501	13.7
69.03431	3.0
69.07056	8.9
71.00676	3.4
71.04984	1.8
74.29824	1.1
79.05485	5.1
81.03436	1.1
81.07056	20.5
83.04976	100.0
83.08620	2.5
84.05278	1.3
85.02887	3.5
85.06544	15.4
91.03960	1.6
91.05469	5.1
93.03234	1.4
93.07053	13.1
94.91692	1.1
95.04964	76.6
95.08598	14.8
96.05315	1.3
97.02885	3.5
97.06539	3.1
97.10150	4.4
99.04456	1.9
99.08099	2.3
101.02402	1.3
103.09505	1.7
105.07030	7.1
107.04925	1.3
107.08572	11.6
109.06499	10.0
109.10149	15.6
111.08053	3.2
111.11693	1.7
116.98667	1.4
117.07040	2.1
118.10255	1.2
119.08571	5.6
121.06509	8.7
121.10124	7.1
122.96339	1.4
123.08083	2.3
123.11683	7.2
125.05982	3.5
125.09628	2.1
130.49152	1.3
131.08568	3.7
133.10085	5.8
133.91086	1.3
135.08052	20.6
135.11673	5.1
137.09636	2.2
137.13239	2.8
139.11171	3.0
143.08528	1.6
145.10155	7.1
145.11157	1.2
147.04414	2.4
147.08075	1.7
147.11696	4.4
149.09631	3.3
149.13240	2.5
151.07515	1.5
151.11200	1.9
153.09073	2.2
157.01645	1.3
159.08112	2.1
159.11728	6.8
161.09628	3.9
161.13245	3.0
163.11151	1.8
163.14963	1.3
169.10167	1.6
169.15962	1.1
173.09648	3.0
173.11778	1.7
173.13260	2.2
175.11192	4.9
177.05396	1.7
185.13351	1.7
187.11205	2.5
187.14787	10.4
195.13918	1.6
195.17511	2.1
201.16370	2.7
203.14308	1.7
205.15842	2.9
211.14859	2.2
213.07962	1.9
217.16109	1.3
219.17464	1.4
229.07458	11.7
229.15974	10.4
231.08878	1.7
247.08484	11.8
247.16957	4.6
252.09068	3.1
259.27261	2.0
267.21045	1.6
269.10596	7.8
269.17609	2.4
269.94040	1.4
270.10541	1.9
285.22098	4.3
287.11591	4.4
292.12210	2.6
303.01224	2.4
303.23087	10.0
321.24600	5.8
321.30798	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	321.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87096	1.6
69.87497	0.6
71.97697	0.3
75.31762	0.3
83.49072	0.3
85.02888	0.3
90.96423	0.4
98.21513	0.3
101.00913	0.4
111.05598	0.4
118.79385	0.3
123.05510	0.4
131.01930	0.4
133.03484	0.7
141.06592	0.8
145.03458	0.5
147.05069	0.6
155.01970	0.4
157.03506	0.3
159.05038	0.6
159.06290	0.5
159.07651	0.6
161.02992	0.5
170.56696	0.3
171.05104	0.5
173.03015	0.3
177.06195	0.7
180.39674	0.4
189.05978	0.5
219.07204	1.0
221.05113	0.4
231.07074	1.5
245.05103	0.8
273.08179	0.5
321.11578	100.0
322.11978	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	321.0239
Annotation	Luteic acid
Peak:m/z	Relative Intensity
70.01285	2.6
79.05492	0.8
91.05491	1.2
95.04978	0.8
103.05444	1.4
119.04901	2.1
123.04425	2.3
131.04921	1.0
133.02846	0.7
135.04384	0.7
139.03896	5.3
145.02780	1.5
147.04405	6.2
151.03839	1.2
154.38159	0.7
157.02827	1.8
163.03911	3.0
173.02345	4.6
175.03909	4.9
185.02339	2.2
187.03897	2.7
191.03389	2.3
201.01799	10.4
203.03387	7.5
205.08302	0.7
207.02943	0.9
213.01855	2.5
215.03380	2.4
217.01366	0.7
219.02898	3.6
229.01323	9.2
231.02872	13.1
241.01352	1.3
247.02359	9.7
257.00815	21.0
258.00974	0.7
259.02371	19.5
275.01859	20.2
277.03445	15.0
285.00296	15.1
285.19904	0.6
303.01337	100.0
304.01733	2.6
321.02448	13.2
321.14581	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2266
Annotation	3-Hydroxy-3,7-dimethyl-1-(2-methyl-1-propenyl)-4,6,8-nonatrienyl ester 2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
53.03941	0.4
55.05509	10.6
57.07051	0.4
66.95907	0.3
67.05481	0.6
69.07042	0.6
70.78903	0.8
71.04972	0.3
74.85020	0.2
76.94363	0.2
79.05498	0.6
81.07055	1.1
83.04975	100.0
84.05324	0.9
91.05474	0.3
93.07047	1.2
95.04944	0.4
95.08594	2.6
102.49452	0.3
105.07018	0.9
107.08586	0.8
109.06494	1.0
109.10177	1.0
111.00843	0.3
113.09634	0.6
119.08591	1.0
121.06509	0.9
121.10144	0.6
133.10147	0.3
135.08054	1.7
135.11694	0.4
137.06053	0.4
145.10114	0.5
153.01857	0.9
153.05438	0.3
153.58337	0.3
159.11736	0.5
161.09621	0.7
175.14948	0.3
201.12740	0.8
203.14299	1.7
217.04996	0.4
221.15396	0.5
227.14359	0.6
240.31880	0.3
245.04498	0.4
283.20526	0.3
299.09122	0.3
301.21564	1.6
319.04492	4.3
319.12350	0.3
319.22702	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2268
Annotation	3-Hydroxy-3,7-dimethyl-1-(2-methyl-1-propenyl)-4,6,8-nonatrienyl ester 2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
53.03938	1.1
55.01860	1.0
55.05509	14.4
56.96578	0.6
56.98019	0.5
57.03417	0.5
57.07072	1.9
62.20512	0.5
65.03937	0.9
67.05502	9.4
68.99794	1.7
69.03426	1.5
69.07069	7.1
71.04990	2.6
75.20891	0.5
79.05495	4.8
81.03428	1.1
81.06579	0.8
81.07056	15.1
83.04977	100.0
83.08606	3.1
84.05309	1.0
85.02897	1.1
85.06552	2.0
91.05461	3.8
93.07042	8.4
95.04961	7.1
95.08599	17.9
97.02918	0.6
97.06547	1.7
97.10168	2.5
98.21548	0.8
99.04442	0.9
99.08105	0.9
105.07024	4.6
107.04967	1.4
107.08595	6.6
108.04488	2.0
109.02897	1.8
109.06512	21.5
109.10149	8.7
111.00813	1.6
111.04469	0.7
111.08097	1.4
111.11748	1.0
113.09644	3.9
117.07050	1.0
119.08581	5.6
121.06490	4.5
121.10151	4.3
123.04467	0.7
123.08098	1.8
123.11715	4.7
125.09646	1.5
125.83055	0.5
127.03925	0.7
127.11214	0.7
129.07057	1.1
131.08562	5.2
133.06535	0.7
133.10127	3.7
135.08052	7.5
135.11694	3.4
137.02350	1.3
137.05997	0.7
137.09612	1.4
137.13297	0.9
139.03918	1.1
139.11201	0.6
140.07111	0.6
143.03381	0.7
143.08566	1.6
144.19133	0.5
145.10130	2.8
147.04538	0.7
147.08029	2.3
147.11696	1.6
149.05931	0.5
149.09621	1.2
149.13277	2.1
151.03885	0.6
151.07480	0.7
151.11150	2.3
151.14864	0.8
153.01822	12.0
153.02971	0.8
154.02177	0.7
156.41893	0.4
157.10139	1.8
159.08109	0.7
159.11670	3.1
161.09601	3.2
161.13196	0.8
163.07651	0.5
163.11234	1.3
163.14874	1.1
165.01843	2.8
165.09190	0.7
166.02560	0.9
167.07095	0.6
171.11720	0.7
173.13309	1.1
174.84048	0.5
175.11143	1.0
175.14844	1.5
177.05482	0.7
177.16406	0.9
179.03389	1.5
183.02950	0.9
185.09592	0.5
185.13300	2.0
187.14841	0.9
189.05510	1.1
189.12706	0.6
189.16364	0.7
191.00188	0.7
191.17975	0.6
193.01416	0.6
193.15952	0.8
195.02850	0.5
199.14818	0.7
201.12808	2.0
201.16409	0.9
203.14287	5.3
217.04942	4.0
221.15442	2.0
227.14363	1.4
229.05055	0.7
229.37466	0.6
245.04492	4.6
245.12788	0.6
245.15273	0.8
247.24257	1.5
263.05518	0.8
265.25241	1.0
273.03937	4.3
283.20593	2.0
287.13940	1.0
290.04150	0.8
301.03607	0.6
301.21606	11.9
301.25009	0.9
319.04480	52.4
319.19153	0.9
319.22647	9.7
319.26346	0.8
320.04843	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	319.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	11.0
56.96565	1.3
57.07072	1.3
58.06620	0.5
67.05493	1.0
68.45997	0.5
68.62891	0.5
68.99793	1.2
69.07053	0.8
69.12323	0.5
70.06578	1.9
70.21454	0.6
70.55956	1.5
70.56306	0.7
71.05015	0.7
71.08610	0.8
79.05482	1.2
81.07040	1.1
82.20380	0.6
83.04979	100.0
84.05311	1.0
88.07637	2.3
91.05457	0.6
93.07056	1.3
94.92950	0.5
95.08604	2.9
98.21355	0.6
102.09122	0.7
105.07071	0.7
107.08609	1.4
108.04482	0.7
109.06534	0.9
109.10162	0.6
111.00771	0.5
113.09700	0.7
121.06526	0.7
132.34290	0.5
135.08073	1.3
135.11676	0.9
137.05972	5.5
145.10164	0.8
147.08101	0.5
147.11584	0.8
149.02374	0.8
151.03905	3.3
153.01781	3.3
153.04150	0.6
165.01848	1.0
167.94580	0.5
168.06567	5.7
193.05052	1.2
203.14371	1.5
217.05020	1.1
224.65607	0.6
232.12222	0.6
245.04544	1.5
256.26413	0.7
257.26611	3.9
273.04025	1.3
301.21619	1.2
301.29333	0.9
319.00809	1.1
319.04480	16.5
319.18295	1.6
319.30316	16.8
320.04886	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2265
Annotation	3-Hydroxy-3,7-dimethyl-1-(2-methyl-1-propenyl)-4,6,8-nonatrienyl ester 2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
53.03940	1.5
53.55469	0.8
55.05507	10.6
56.96572	1.0
57.07064	1.5
58.92624	1.0
67.05508	5.0
68.99777	1.3
69.03436	1.8
69.07051	2.6
70.78535	2.1
71.04996	1.5
79.05482	3.6
79.13206	0.9
81.07058	4.9
83.04976	100.0
84.05311	1.3
84.35966	0.8
85.06522	1.0
91.05476	3.1
93.07034	7.1
94.46932	1.2
95.04945	2.0
95.08596	12.2
99.08125	1.1
105.07044	6.0
107.04935	1.0
107.08593	8.7
109.02921	1.0
109.06515	9.4
109.10152	5.5
111.00818	1.5
111.08109	1.5
115.05422	1.7
117.07002	2.0
119.08567	4.7
121.06498	8.9
121.10114	2.5
123.11692	1.1
125.09624	3.5
133.10114	2.5
133.56206	1.0
135.04347	0.9
135.08046	38.8
135.11678	2.2
135.50662	0.9
137.02335	1.8
137.09662	1.0
139.07558	1.0
143.08589	1.9
145.10132	2.9
147.08026	3.3
149.13261	1.2
151.07536	2.5
151.11154	1.4
153.01845	7.8
157.10165	1.2
159.08081	1.2
159.11674	2.3
161.09634	3.4
161.13266	1.1
165.01855	2.1
171.08003	1.1
172.08743	1.2
173.09662	1.5
179.03458	1.1
184.54504	0.9
185.09621	1.2
199.14825	1.8
201.12775	6.5
201.16302	1.4
203.14267	4.2
209.13181	1.6
217.04993	3.4
227.14299	9.2
245.04457	2.9
245.15422	2.3
257.26709	2.9
273.03986	2.5
301.21582	7.0
319.04489	40.4
319.19305	1.5
319.22867	2.0
319.30301	5.2
320.04727	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	319.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	7.7
56.96555	4.3
62.82660	2.2
67.05499	11.0
69.03413	3.0
69.07042	9.5
69.54462	16.8
71.04971	4.1
79.05489	4.4
81.03388	2.6
81.07053	13.7
83.04959	5.9
91.05479	4.9
93.07053	12.4
95.04965	100.0
95.08595	16.0
97.06518	7.3
97.10177	2.3
98.21511	2.0
105.07002	8.4
107.08578	14.9
107.45737	2.4
109.02876	2.6
109.06510	25.4
109.10156	7.1
111.00764	3.8
111.08070	6.8
117.07005	3.3
119.08562	10.4
121.06527	10.8
121.10126	5.6
123.08045	7.1
123.11723	4.5
131.08603	2.7
133.10095	5.2
135.08052	22.4
135.11668	6.2
137.09592	3.8
145.10123	3.6
147.11679	3.8
149.09590	6.1
153.01790	10.2
157.10149	2.5
161.09546	3.6
165.01816	3.6
175.14784	5.0
193.15860	12.7
196.26352	2.1
245.04384	5.9
257.26599	2.8
273.03961	4.0
283.20346	2.7
301.21649	47.1
302.21353	2.6
319.04456	62.8
319.24133	5.3
319.30081	10.5
320.04837	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	319.2267
Annotation	12S-HEPE
Peak:m/z	Relative Intensity
51.25648	1.8
52.08661	1.8
53.03953	2.0
55.05510	15.5
57.07058	4.4
60.04518	3.4
67.05487	7.9
69.03426	3.2
69.07048	8.0
70.06575	3.0
71.60064	2.4
79.05484	7.5
81.06664	1.6
81.07051	14.5
83.04974	100.0
83.08607	1.9
83.83746	1.7
88.07621	5.8
89.07980	2.9
91.05479	9.7
93.07026	13.7
95.04936	2.1
95.08611	22.4
97.06503	3.0
97.10129	2.3
102.09175	3.2
105.07025	15.9
107.08590	25.5
109.02840	1.9
109.06521	13.4
109.10133	11.8
111.00796	2.2
115.05471	2.1
117.07017	5.3
119.08578	18.8
121.06469	11.5
121.10126	10.6
123.11697	4.1
129.35510	1.8
131.08559	7.5
133.06525	2.4
133.10143	10.9
135.04419	2.1
135.08049	42.4
135.11655	5.7
137.02274	2.2
137.05972	2.4
137.09631	3.2
143.08586	4.3
145.06447	2.3
145.10152	10.9
147.08041	5.6
147.11638	4.7
149.09569	1.9
149.13261	5.7
151.07527	5.1
153.01842	9.5
157.10164	2.5
159.08020	2.1
159.11702	5.6
161.09642	5.6
165.01782	4.5
165.09109	11.6
171.11664	5.9
173.13252	2.9
177.09137	4.2
177.16426	2.1
179.10617	4.6
185.09549	2.5
185.13283	4.7
189.05473	2.3
199.14806	3.5
201.12724	6.1
203.14326	6.6
209.13239	2.7
217.04956	5.8
227.14243	10.4
231.13763	3.5
241.19489	8.0
245.04456	4.6
245.15469	1.9
255.20895	2.4
256.26288	2.4
257.26611	12.3
273.03976	3.4
283.20419	4.1
301.14261	1.8
301.21564	19.6
319.00742	3.4
319.04468	68.4
319.22675	5.8
319.30307	33.6
320.04800	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	319.2268
Annotation	3-Hydroxy-3,7-dimethyl-1-(2-methyl-1-propenyl)-4,6,8-nonatrienyl ester 2-methyl-2-butenoic acid
Peak:m/z	Relative Intensity
53.03927	1.6
55.05511	13.5
56.96568	1.4
66.26446	0.9
67.05511	6.9
68.99775	3.2
69.03439	2.3
69.06724	1.2
69.07067	17.5
79.05499	5.0
81.03408	1.4
81.07048	13.5
83.04980	100.0
83.08616	2.0
85.06543	2.2
91.05476	7.5
93.07045	10.7
95.04956	4.3
95.08606	12.0
97.06541	1.3
97.10181	2.5
98.21500	2.2
105.07036	11.8
107.04955	5.6
107.08582	11.8
107.60023	0.9
109.02831	1.3
109.06496	6.7
109.10149	12.5
111.00798	1.5
111.08060	2.2
112.01412	1.0
117.07009	2.1
119.08570	13.5
121.06493	7.5
121.10150	6.7
123.08047	2.2
123.11714	1.9
125.09615	1.1
129.07005	2.5
131.08554	5.5
133.02847	1.4
133.06467	5.4
133.10139	6.7
134.96356	0.9
135.04446	1.4
135.08046	13.3
135.11690	3.6
137.02377	1.3
137.05945	2.3
137.09624	2.7
137.13271	1.3
139.03925	1.6
142.07739	1.4
143.08546	6.4
145.06483	1.1
145.10110	6.1
147.04410	1.4
147.08015	10.1
147.11673	4.3
149.06085	1.4
149.09613	4.5
149.13249	3.3
151.07582	4.7
151.11179	1.8
153.01814	13.2
153.05449	1.5
153.12735	4.3
156.09305	1.5
157.10133	6.0
159.08026	4.7
159.11661	6.9
161.09633	6.7
161.13260	3.8
163.11200	1.7
163.14766	1.4
165.01839	4.5
165.09068	1.9
170.10892	1.3
171.08057	3.2
171.11661	2.7
173.09613	2.8
173.13322	1.7
174.86258	1.1
175.11194	2.8
175.14798	2.6
179.03413	2.1
183.02878	1.2
185.09621	3.7
185.13261	9.0
189.09077	1.2
189.12730	19.3
199.11188	1.5
199.14847	5.2
201.12729	8.0
203.14311	9.8
204.14632	1.0
209.13205	2.0
213.12857	1.1
215.14342	1.7
217.04967	3.0
217.15858	4.7
227.14284	14.1
245.04527	4.2
245.15366	19.9
246.15639	1.1
259.20645	1.4
273.03946	4.4
283.20609	4.8
301.21613	12.6
319.04477	54.7
319.19226	2.0
319.22672	8.0
319.26154	1.8
319.29984	1.6
320.04855	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	319.0445
Annotation	Myricetin
Peak:m/z	Relative Intensity
55.01848	0.3
59.82214	0.2
65.03924	0.6
65.89126	0.2
67.01848	0.4
67.55561	0.2
68.99440	0.2
68.99787	3.7
69.03427	0.3
78.55576	0.2
79.01853	0.5
81.03407	0.7
81.67060	0.2
83.04955	0.3
85.02920	0.2
86.31718	0.2
93.03409	0.4
94.98441	0.2
97.02888	0.7
97.70037	0.2
98.20733	0.6
105.07030	0.2
109.02872	2.1
111.00796	3.6
111.04431	0.8
115.05452	0.4
121.02855	0.5
121.06493	0.7
121.10133	0.3
123.04417	0.3
125.02332	0.6
126.03107	0.5
127.03906	0.8
133.02779	0.4
133.06519	0.3
133.10078	0.2
137.02344	3.7
139.03889	0.6
139.11156	0.3
143.03381	0.4
147.04376	0.6
149.02325	0.4
153.01819	22.3
155.04953	0.2
159.04314	0.3
161.05965	0.6
163.03925	0.4
165.01828	5.2
166.02606	1.1
171.04414	0.8
173.05937	0.3
175.03915	0.6
177.05458	0.8
179.03374	3.0
183.02902	2.1
187.03824	0.2
189.05438	2.4
191.03357	0.3
193.01306	0.5
193.04935	0.3
195.02892	1.0
199.03918	0.9
203.03397	1.4
207.02853	0.8
216.04132	0.3
217.04961	8.1
218.05161	0.2
219.02945	0.5
221.04478	1.0
227.03340	0.6
229.04988	0.6
231.02858	0.4
232.03630	0.5
235.02133	0.3
235.06035	0.8
244.03654	0.9
245.04439	9.1
246.04732	0.2
249.03922	0.3
255.02852	1.1
263.05438	1.2
272.03174	0.4
273.03915	7.8
277.03534	0.2
290.04260	2.0
291.05008	0.2
297.65405	0.2
301.03436	1.7
319.04465	100.0
320.04837	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	319.0446
Annotation	IRIGENOL
Peak:m/z	Relative Intensity
51.02374	0.1
53.03945	0.1
53.14032	0.1
53.32491	0.1
55.01874	0.3
64.87836	0.1
65.03928	0.3
67.01846	0.3
68.99783	2.6
69.03415	0.3
70.76274	0.2
71.01318	0.1
71.86089	0.1
79.01842	0.2
81.03406	0.5
93.03397	0.3
93.06984	0.1
95.01309	0.1
97.02907	0.4
103.05433	0.1
103.35798	0.1
105.03360	0.1
105.07012	0.2
107.01295	0.1
107.04926	0.1
109.02872	1.8
111.00795	3.5
111.04426	0.6
115.05437	0.2
119.01313	0.1
119.04904	0.1
121.02879	0.3
121.06522	0.4
121.17773	0.1
123.04417	0.1
125.02346	0.5
126.03114	0.3
127.03907	0.7
131.04889	0.1
133.02840	0.3
133.06470	0.2
135.04424	0.1
137.02325	3.3
137.05922	0.1
139.03918	0.5
143.03419	0.2
145.06410	0.1
147.04416	0.3
149.02344	0.3
149.06006	0.1
151.03943	0.1
153.01814	17.9
153.05290	0.5
154.02176	0.1
155.04767	0.1
159.04356	0.1
161.02339	0.2
161.05966	0.6
163.03925	0.1
165.01822	5.8
166.02603	0.8
167.03342	0.2
171.02971	0.1
171.04411	0.5
173.06004	0.2
175.03906	0.3
177.05463	0.5
179.03378	2.3
183.02892	1.7
183.04370	0.1
187.03966	0.1
189.01836	0.1
189.05453	1.9
189.27515	0.1
191.03394	0.2
193.01337	0.4
193.04907	0.2
194.02080	0.3
195.02875	1.2
199.03874	0.6
201.05495	0.1
203.03357	1.1
204.04123	0.1
205.04933	0.1
207.02872	0.7
207.06516	0.1
208.03674	0.2
209.04419	0.2
216.04292	0.1
217.04948	6.3
218.05252	0.1
219.02916	0.4
221.04436	0.6
223.02338	0.1
227.03351	0.7
229.04985	0.5
231.02869	0.6
232.03619	0.3
233.04321	0.2
235.02357	0.4
235.05942	0.5
239.01862	0.3
243.02740	0.1
244.03661	0.5
245.04440	8.2
246.05035	0.1
248.03102	0.1
249.03925	0.2
255.02899	1.2
257.04428	0.1
259.02252	0.1
261.03937	0.1
262.04764	0.2
263.05463	1.1
272.03186	0.3
273.03912	7.9
274.04456	0.1
283.02386	0.3
290.04187	2.0
291.04974	0.4
301.03412	2.0
302.04083	0.1
319.04453	100.0
320.04785	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01861	2.7
57.03437	4.4
61.02914	8.8
69.03421	18.1
69.80755	9.9
71.04990	2.1
73.02910	4.5
81.03406	6.3
82.42368	1.5
85.02900	100.0
86.03241	2.3
87.04478	3.2
91.03948	6.3
93.07016	2.6
95.08612	1.8
97.02890	20.5
98.20747	2.9
98.21354	3.5
99.04424	3.1
103.05428	2.8
109.02891	6.8
121.06496	85.7
122.06816	1.6
127.03910	23.5
138.09129	3.5
140.07053	1.9
145.04948	43.7
145.06229	2.5
145.06563	2.2
156.10219	4.4
159.08044	5.2
162.07616	2.0
163.06055	11.5
165.08743	1.4
179.07097	4.0
180.08632	5.5
187.07547	16.5
205.08554	10.3
217.08592	2.2
229.08643	4.6
247.09689	6.5
265.10724	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	319.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84014	0.1
55.01861	0.5
55.45178	0.1
60.81445	0.1
61.62428	0.1
63.87307	0.1
65.03922	0.5
67.01871	0.3
68.99784	3.3
69.03423	0.3
70.74369	0.4
72.20676	0.1
79.01829	0.2
81.03407	0.6
82.95261	0.1
83.04981	0.1
85.69092	0.1
86.54597	0.1
93.03401	0.4
95.01298	0.2
97.02881	0.4
100.74805	0.2
103.05421	0.2
107.01314	0.2
109.02872	1.9
109.34657	0.1
111.00790	3.4
111.04421	0.6
115.05446	0.2
121.02847	0.5
121.06493	0.5
123.04477	0.3
125.02321	0.8
126.03134	0.6
127.03905	0.9
131.04955	0.1
133.02853	0.3
133.06454	0.3
135.04424	0.2
137.02332	3.9
139.03886	0.8
143.03409	0.2
143.04869	0.1
147.04430	0.5
149.02318	0.4
151.03894	0.2
153.01816	19.4
153.05334	0.3
154.02167	0.2
161.02301	0.4
161.05963	0.7
163.03874	0.2
165.01830	6.1
166.02617	0.9
167.03423	0.2
171.02994	0.1
171.04376	0.5
175.03908	0.5
177.05438	0.7
179.03380	3.6
183.02893	1.9
183.04347	0.3
189.01799	0.2
189.05450	2.0
193.01277	0.5
193.04951	0.2
194.02133	0.2
195.02895	1.8
199.03929	0.9
203.03366	1.4
204.06065	0.1
207.02878	1.3
208.03749	0.2
216.04259	0.2
217.04961	6.5
218.05705	0.1
219.02888	0.5
221.04430	0.8
227.03314	0.8
229.04927	0.7
231.02881	0.5
232.03685	0.8
233.04318	0.2
235.02327	0.3
235.06007	0.5
239.01982	0.2
244.03659	0.4
245.04451	8.6
246.05078	0.2
255.02824	1.4
257.04428	0.2
263.05469	1.0
272.03110	0.3
273.03909	8.5
283.02371	0.3
290.04193	2.2
291.04657	0.2
301.03415	2.0
319.04456	100.0
320.04767	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
54.57227	0.3
55.05492	0.5
57.03417	1.1
61.02898	1.1
67.05502	0.4
69.03423	2.7
69.07056	0.7
70.06613	0.3
70.16502	1.2
72.08109	0.4
73.02908	0.4
79.05469	0.3
81.03397	1.0
82.02916	0.3
82.06555	0.8
83.04958	0.5
85.02896	7.2
87.04449	1.0
93.07024	1.2
95.08598	1.2
96.04485	2.7
96.08109	2.3
97.02891	2.9
97.05254	1.6
97.06517	1.1
99.04464	0.4
100.07603	0.9
109.02865	1.0
109.06487	0.4
110.06032	5.5
110.09671	2.9
111.08069	0.9
115.52028	0.3
120.08044	0.5
121.06493	2.1
125.08383	0.9
126.09141	7.7
127.03916	1.7
128.10699	0.6
138.09128	19.3
139.07513	1.1
139.09491	0.4
145.04944	1.0
156.10187	100.0
157.10544	1.7
168.10194	0.9
180.10149	0.5
189.50723	0.3
198.11235	0.9
199.04115	0.3
222.11224	0.4
228.23427	0.3
318.15387	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	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01870	2.8
56.96572	1.5
57.03442	6.5
61.02923	12.2
64.89781	1.5
67.05510	1.4
69.03428	23.6
71.04993	2.2
73.02915	3.9
81.03417	10.9
83.05015	1.5
85.02901	100.0
86.03276	1.4
87.04477	3.6
91.03965	7.6
91.05476	2.9
93.07048	3.2
95.04970	1.4
97.02884	29.3
98.20747	2.4
99.04462	5.3
103.03937	1.8
103.05439	2.2
109.02896	12.5
110.06046	1.5
119.04865	1.4
121.06499	75.8
127.03909	23.2
138.05493	18.5
138.09145	5.7
139.03925	4.6
145.04945	35.8
146.99651	1.7
153.01816	4.4
154.02090	1.6
156.06523	10.1
156.10201	23.3
159.08049	2.6
162.07584	2.0
163.04044	1.3
163.05986	9.2
179.07133	1.5
180.08658	22.8
187.07527	12.1
205.08549	8.7
229.08620	4.0
247.09702	4.7
265.10754	4.0
318.15298	6.5
318.30084	2.0
319.00854	2.1
319.04349	2.4
319.07800	1.7
319.13519	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	317.2109
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
51.54826	2.6
55.01862	2.9
55.05508	12.9
56.05827	3.0
56.96552	5.2
57.07058	7.6
59.04980	3.7
60.04521	19.2
67.05169	4.0
67.05505	46.6
69.03416	7.7
69.07051	12.3
70.06569	4.9
71.04973	5.0
77.59016	2.7
79.05476	11.7
81.07065	25.5
83.04984	14.5
83.08592	4.2
85.06522	3.0
87.04433	6.8
91.05478	17.4
93.07054	17.6
95.04971	21.0
95.08592	26.5
97.10191	2.8
103.38165	2.6
105.07006	20.2
107.04972	4.7
107.08580	32.7
109.06504	19.7
109.10155	82.7
115.05402	3.2
117.07050	3.6
119.08587	46.5
121.03722	2.5
121.06509	9.0
121.10112	14.4
123.08085	14.1
123.11676	4.2
129.01988	3.0
129.06990	3.1
131.08545	9.6
133.10110	10.8
134.25838	3.1
135.08035	11.6
135.11705	2.8
137.06023	7.3
137.09602	100.0
143.08572	6.6
145.06480	4.6
145.10083	14.0
147.08020	8.5
147.11690	3.8
149.09630	13.3
151.07524	24.8
153.05493	4.4
153.09108	3.6
155.08528	4.4
157.10104	5.8
159.08066	6.2
159.11630	7.7
161.09604	12.2
161.13229	4.7
163.07558	4.7
163.11150	7.3
165.09125	34.7
167.07062	3.0
169.10094	6.7
171.11655	10.0
173.09625	15.2
173.13225	6.4
177.09090	11.0
181.08472	3.4
181.10049	2.7
181.12210	2.9
183.11664	4.8
185.13184	4.6
187.11131	5.8
189.12721	13.5
190.13507	4.7
197.13286	4.7
199.11266	5.0
199.14848	5.3
201.12666	6.5
207.13821	11.6
209.11604	4.7
213.12674	6.0
215.14355	5.2
223.14903	2.7
229.15947	2.7
231.13655	2.8
237.14917	4.2
239.14314	5.6
243.13893	3.5
243.17453	6.2
256.26367	9.9
257.15347	5.0
269.13815	4.5
271.16815	3.4
271.20520	3.9
281.18954	5.6
285.00085	4.0
299.20056	43.0
299.27612	4.9
317.02902	10.1
317.06277	4.2
317.17438	6.5
317.21103	84.2
317.24713	6.9
317.28574	20.8
318.21500	6.1
318.30014	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	317.2109
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
53.03940	3.0
55.01866	3.3
55.05504	8.8
57.07064	8.7
60.04517	17.4
65.03949	2.6
65.44353	2.4
67.05502	34.9
69.03417	5.8
69.07043	5.7
70.06583	3.0
71.17774	2.3
71.59917	4.1
79.05474	10.4
81.07050	28.4
83.04973	3.7
83.08601	2.4
87.04459	5.1
88.07613	3.2
91.05491	11.1
93.07036	17.7
93.42143	2.0
95.04963	21.5
95.08616	18.6
97.06552	2.7
102.09154	5.5
105.07026	13.0
107.08584	29.0
109.06548	11.4
109.10150	67.3
113.05967	2.5
117.07007	2.9
119.08573	38.5
121.06538	3.7
121.10159	8.1
123.08054	7.9
131.08559	5.5
133.10138	6.4
135.08061	11.4
135.11642	3.7
137.05971	10.9
137.09613	100.0
137.20702	2.2
138.09914	3.0
143.08568	4.1
145.10101	5.6
146.99289	2.3
147.08051	7.2
147.11714	3.5
149.09622	7.9
151.07521	20.3
153.01785	2.3
159.08115	2.2
159.11722	4.0
161.09636	9.2
163.07491	3.2
163.11124	3.1
165.05447	3.9
165.09119	28.7
166.87537	2.5
167.81766	2.3
171.11621	5.1
173.09590	10.6
173.13278	2.6
175.11172	5.6
177.09006	3.0
181.08545	3.3
181.10143	2.7
181.12209	2.9
183.11720	3.1
185.13208	3.4
187.11212	4.4
189.12706	14.5
190.13554	3.4
197.13284	2.8
203.14310	4.3
207.13782	8.6
213.12825	3.1
221.15295	2.8
225.12683	4.5
237.14886	3.0
239.14256	3.7
243.13834	3.7
243.17537	5.9
256.26321	10.7
257.26569	2.9
271.16943	3.7
274.04959	2.3
281.19003	3.6
281.26733	2.5
299.19965	28.1
317.02856	8.0
317.06195	4.3
317.17389	4.4
317.21115	63.1
317.24939	3.5
317.28494	16.7
318.21524	4.8
318.29959	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	317.211
Annotation	all-trans-4-Hydroxyretinoic acid
Peak:m/z	Relative Intensity
52.12615	1.6
53.03928	2.0
55.01868	2.3
55.05503	15.7
56.76230	1.7
56.96555	3.7
57.03418	3.3
57.07064	3.7
58.49242	1.9
65.03926	3.3
66.27940	1.5
67.05495	20.4
69.03428	13.1
69.06778	1.8
69.07064	20.5
71.04993	5.0
71.08629	2.4
71.59331	2.5
73.70110	1.7
79.05490	15.0
81.03404	4.0
81.07043	36.0
83.04975	17.8
83.08602	7.5
85.02870	3.8
85.06532	6.1
91.05475	26.7
91.58023	1.9
93.06470	3.6
93.07034	59.0
95.04956	14.1
95.08591	37.0
97.02847	3.0
97.06510	8.0
97.10156	4.5
99.08103	2.7
103.05441	6.7
105.07021	38.4
107.04932	5.1
107.07867	2.3
107.08584	42.0
108.08911	2.1
108.38309	1.9
109.06496	13.3
109.10146	24.3
111.04432	2.0
111.08054	7.6
113.05959	2.9
115.05409	2.1
117.07017	11.3
117.48454	1.6
119.04915	3.5
119.08575	36.8
121.06496	25.8
121.10134	24.9
123.04453	8.9
123.08072	9.9
123.11689	12.6
125.05984	3.1
125.09571	3.6
129.06990	5.8
131.04909	5.2
131.08562	21.2
133.06490	5.0
133.10121	24.3
135.08038	34.0
135.11705	10.9
137.05948	10.0
137.09593	5.3
137.13248	2.9
138.05421	2.5
139.03871	2.9
139.07538	5.9
139.11147	4.4
142.07759	4.7
143.08530	13.9
145.06454	7.7
145.10123	25.6
147.04344	6.0
147.08032	32.5
147.11661	14.6
149.06036	2.7
149.09613	9.5
149.13220	8.3
151.07544	7.0
151.11200	3.4
153.01823	15.6
153.07047	2.8
153.09135	4.6
154.02147	6.4
155.02255	9.2
155.08517	10.1
156.09377	4.9
157.10127	17.2
158.07339	1.9
158.10872	2.3
159.08060	15.9
159.11653	19.5
161.05965	3.7
161.09599	20.5
161.13235	4.6
163.03925	4.1
163.07513	8.1
163.11162	6.6
163.14752	4.3
165.05511	15.9
165.06889	3.4
165.09143	2.0
165.12659	3.3
167.07156	2.7
167.08528	3.7
168.09271	2.4
169.10130	11.4
170.10736	2.7
171.07977	3.9
171.11665	13.9
172.08842	3.3
173.09628	14.4
173.13264	15.4
175.07378	2.4
175.11212	13.8
175.14761	3.0
177.09091	8.2
177.12762	2.4
179.10594	2.2
181.10069	2.8
182.10811	3.4
183.11670	17.9
185.09634	3.8
185.13211	13.5
187.11159	11.5
187.14815	8.1
189.09100	2.5
189.12689	9.7
191.10704	2.3
191.14273	4.6
195.11668	6.3
196.12584	1.7
197.09807	2.9
197.13226	11.7
199.11131	4.2
199.14771	5.0
201.12737	31.4
201.16360	2.2
202.13159	2.4
203.14313	7.8
207.11771	2.5
209.13365	2.8
209.15364	4.1
211.11122	6.0
211.14764	8.0
213.12767	10.9
213.16353	3.2
215.14264	5.2
217.15945	2.9
219.13806	4.0
221.13321	3.0
223.14780	3.3
225.12679	7.0
225.16365	5.6
227.14310	5.3
229.12299	2.2
229.15880	6.0
229.19467	3.8
237.16232	2.4
239.06967	2.1
239.14366	3.7
239.17911	10.7
241.15788	2.5
243.13824	2.4
253.15875	3.2
253.19550	10.2
255.17488	2.8
257.08203	2.1
257.19022	13.3
263.17926	5.0
271.17078	2.3
271.20544	9.5
273.18668	4.1
281.18964	69.5
281.22067	3.6
282.19382	4.4
287.12732	2.2
299.09070	8.9
299.20044	77.3
300.20474	5.2
302.04391	2.7
317.02817	11.7
317.06613	11.0
317.10150	7.0
317.13785	7.7
317.17673	5.5
317.21109	100.0
317.24557	6.9
318.21442	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	317.2111
Annotation	(-)-Cleistanthol
Peak:m/z	Relative Intensity
55.01864	1.5
55.05497	2.7
55.67361	0.6
57.07064	1.1
60.01247	0.7
60.04515	1.4
67.03127	0.7
67.05492	4.2
69.03435	3.4
69.07066	4.2
70.79779	0.7
70.80125	2.7
71.05003	0.9
72.08188	0.7
77.47087	0.8
79.05484	3.2
81.07056	6.0
82.07371	0.6
83.04982	1.4
83.08607	3.1
85.06539	1.2
91.05476	9.8
93.07034	5.1
95.04962	1.1
95.08602	7.0
97.02866	0.8
97.06505	3.6
97.10160	1.3
103.05449	2.4
105.07023	7.9
107.04955	2.8
107.08582	6.4
109.02875	1.2
109.06513	1.7
109.10132	5.0
111.08087	1.7
115.05495	1.1
117.07012	3.2
119.08570	17.8
121.06483	2.3
121.10107	5.8
123.04379	1.8
123.08044	1.1
123.11686	1.3
125.05895	0.8
125.09644	1.0
129.06996	2.8
131.04901	2.2
131.08537	4.6
132.05696	5.9
133.10115	4.4
135.08034	3.2
135.11694	2.7
137.05977	2.8
137.09619	1.0
138.05447	0.8
139.11188	1.2
141.06993	0.8
143.08540	3.0
145.06448	2.8
145.10106	4.6
146.07318	1.4
147.08037	100.0
147.11664	2.6
148.08383	2.5
149.09615	13.5
151.07533	1.4
155.08586	2.2
156.09361	1.5
157.10124	1.9
158.07285	1.8
159.08052	3.3
159.11702	2.1
161.09625	8.7
161.13255	0.8
163.07536	2.0
163.11156	2.8
165.05444	1.9
165.06956	0.9
167.08530	1.0
169.10089	1.7
171.08098	1.8
171.11668	2.6
172.08855	1.3
173.09607	5.2
173.13274	1.4
175.11179	2.6
177.09064	1.3
179.08540	0.9
183.11676	2.3
184.08836	1.3
185.09692	2.1
186.10274	1.1
187.11189	5.8
189.12781	2.7
192.09241	0.9
195.11720	1.3
197.05885	0.7
197.09592	1.9
197.13264	2.3
199.11174	2.1
199.14857	1.0
201.12730	3.0
203.14345	0.7
209.13182	1.2
211.11136	6.5
211.15015	0.6
212.11888	0.8
213.12769	1.6
215.10724	1.0
215.14240	3.4
225.12804	2.9
225.16345	1.0
227.14424	1.0
239.14255	1.8
239.17958	1.2
243.13559	0.9
253.19505	1.8
271.20566	1.9
281.18976	4.9
285.00272	0.8
289.21930	0.8
299.20020	4.0
299.23370	1.1
316.61984	0.9
317.02863	2.4
317.06458	2.3
317.13663	3.3
317.17883	1.5
317.21078	44.2
317.28671	2.9
318.21484	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	317.2109
Annotation	Triptobenzene M
Peak:m/z	Relative Intensity
55.05500	12.1
57.07063	2.8
59.67847	2.1
60.04523	4.4
65.80226	2.1
67.05487	10.0
69.03432	11.3
69.07066	8.8
71.04980	4.4
71.58944	1.7
74.14535	1.6
76.10736	1.6
79.05486	7.8
81.07058	18.9
83.04977	60.1
83.08615	6.4
85.06528	4.5
91.05474	17.5
92.51806	2.1
93.07037	19.3
95.04968	6.5
95.08595	18.2
97.06541	3.8
97.10159	2.8
99.04524	2.1
103.05469	6.5
105.07054	17.2
107.04961	5.4
107.08575	18.2
109.02853	2.0
109.06525	8.2
109.10152	12.7
111.08092	3.5
117.07039	5.8
119.05013	1.8
119.08580	26.1
121.06502	15.0
121.10126	14.1
123.04427	4.6
123.08060	4.1
123.11737	4.4
123.53525	1.9
125.06034	2.9
125.09649	8.2
127.03975	2.1
129.07019	4.0
131.04933	4.6
131.08577	8.0
132.05690	3.8
133.10100	12.7
134.99690	2.3
135.08047	12.4
135.11684	6.5
137.05980	6.5
137.09641	4.2
139.11107	2.8
142.07652	2.0
143.08569	5.7
145.06474	3.2
145.10139	11.4
147.08038	100.0
147.11690	5.1
148.08365	2.0
149.08405	3.4
149.09604	62.8
150.09917	2.4
151.11188	2.6
152.06139	2.1
153.01842	2.5
153.09094	14.7
157.10112	5.6
159.08075	7.8
159.11685	5.4
161.09607	20.2
161.13243	2.5
163.07532	10.8
163.11208	5.2
165.05490	8.3
169.10204	3.9
171.07945	2.2
171.11662	4.0
173.09741	9.5
173.13295	6.4
175.11192	4.0
183.11684	3.1
185.13281	2.7
187.11243	8.3
189.09000	3.3
189.12807	2.4
195.07849	2.1
197.13205	2.7
199.11211	7.1
201.12733	16.1
211.11198	5.4
211.14952	2.4
213.12755	2.4
215.14331	7.1
223.14912	1.9
225.12854	3.3
243.13692	4.6
253.19577	2.7
257.18961	2.3
261.14706	3.6
271.20459	2.6
271.56375	1.9
281.18967	11.0
287.12793	2.9
294.37173	2.0
299.20056	19.8
299.23434	3.1
317.02844	7.1
317.06561	5.0
317.10327	3.2
317.13788	5.2
317.17297	4.7
317.21051	51.0
317.24661	6.3
317.28772	5.7
318.21161	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1016
Annotation	Hernandial
Peak:m/z	Relative Intensity
55.01880	1.4
55.67832	0.3
67.05510	0.9
68.99806	1.3
69.03424	16.4
71.59446	0.5
77.03928	0.6
79.05474	0.7
81.03416	1.6
81.07055	2.7
85.02924	2.2
86.09683	0.5
91.05462	2.4
93.07027	0.6
95.04971	2.3
95.08607	0.7
97.02876	0.5
98.62174	0.4
103.05447	0.6
105.03339	0.8
105.07037	0.5
107.04967	1.3
109.02869	1.1
109.06509	0.9
109.10159	0.4
111.04441	0.9
115.05434	0.7
119.04932	5.7
121.06547	0.5
123.04417	51.5
124.04762	1.2
127.03893	0.7
131.04887	0.6
133.06487	0.6
135.04396	1.1
137.02377	1.1
137.05951	3.4
137.09579	0.5
137.13228	1.1
138.05492	0.5
139.03876	6.1
140.04291	0.5
141.05461	4.2
143.04901	1.4
145.04933	0.5
146.46014	0.4
147.04398	21.9
148.04800	0.4
149.05995	3.3
151.03891	0.7
151.07573	0.6
153.01828	4.1
153.05457	5.9
154.02167	1.1
154.08643	1.0
155.02299	1.4
155.08905	1.1
161.05960	4.8
162.06406	0.6
163.03889	1.7
165.01862	2.5
165.05461	100.0
166.05801	2.7
167.06871	0.4
173.05792	0.4
177.05429	3.6
178.08562	0.5
179.03436	0.9
179.07031	3.2
179.08456	0.5
183.02875	4.3
189.05418	1.6
191.03358	0.9
193.05045	0.5
195.02846	1.6
195.06508	4.0
207.06526	6.0
257.08063	0.7
289.03455	0.5
299.06039	0.6
299.09119	3.2
317.02579	1.6
317.06445	7.2
317.10013	38.3
318.06757	0.6
318.10287	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0653
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
50.84382	0.1
61.84966	0.1
65.03929	0.7
68.98294	0.1
68.99807	0.5
91.05495	0.2
92.02621	2.5
93.02829	0.2
93.03400	2.8
93.03967	0.2
93.07057	0.2
94.04201	0.1
107.04973	0.4
109.02874	0.3
110.16278	0.2
111.00811	0.5
119.04902	0.2
120.02069	0.2
121.02859	2.0
121.06466	0.2
121.24695	0.2
122.03687	0.2
123.04423	0.4
126.03112	1.2
131.05054	0.2
133.10075	0.2
135.04419	0.2
137.02362	0.6
137.05965	0.5
139.03906	1.5
145.06479	0.3
147.04437	0.5
151.03891	1.2
152.01028	0.1
153.01817	16.4
154.02069	0.3
155.02289	0.3
155.04968	0.2
163.03912	0.5
165.01811	1.0
165.05466	0.5
166.02640	0.4
170.02101	0.2
173.06006	0.3
177.01845	0.2
177.05482	0.5
179.03391	0.2
183.02919	0.3
183.04454	0.2
187.03955	0.3
190.06258	0.3
191.03384	0.2
200.04694	0.5
201.05437	1.4
203.03429	1.0
211.04045	0.2
216.04231	0.2
217.04942	2.4
218.05757	1.5
219.02943	0.5
228.04155	3.7
229.04935	7.1
229.56847	0.1
230.05602	0.2
231.02887	1.0
232.03604	0.3
233.04616	0.2
239.03409	0.3
243.06569	0.3
245.04442	3.5
246.05228	3.1
247.02368	0.2
251.57843	0.2
256.03696	0.4
257.04428	4.3
260.03174	0.8
261.07629	0.5
271.06250	0.3
273.03915	3.3
274.04709	6.7
275.08524	0.1
284.03207	0.8
285.03903	7.3
286.04538	0.3
287.01831	0.2
288.06171	0.2
299.09171	0.3
301.03262	0.5
302.04196	22.4
303.04507	0.4
306.99011	0.2
311.27237	0.1
317.06537	100.0
318.06882	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16055	2.4
52.56011	2.7
54.26168	2.3
57.03429	6.1
61.02910	9.8
69.03426	17.1
70.09203	10.3
70.09604	6.0
71.04965	3.2
73.02903	4.8
81.03399	5.5
82.32799	2.6
85.02898	35.0
87.71644	2.6
97.02892	13.6
98.97591	7.5
99.04464	3.7
109.02870	5.1
116.98618	3.4
119.01906	10.8
127.03919	9.0
131.01929	5.4
133.03415	3.4
136.07558	8.7
137.05992	3.4
137.07901	11.7
138.05426	5.2
138.06390	2.9
145.03389	4.0
145.05014	7.3
146.05008	5.4
147.05025	5.8
153.01799	8.5
154.08589	7.1
154.94147	7.2
155.01843	3.1
155.04469	5.6
155.08987	8.1
158.99611	2.9
161.02959	6.3
164.05087	3.6
165.05984	2.9
171.05101	2.8
172.95253	14.2
173.02942	10.4
175.04547	4.7
177.00705	2.8
189.06049	8.3
190.96298	5.3
201.06013	4.2
205.04463	2.9
214.96295	14.0
219.01843	2.8
221.05200	3.9
223.52493	2.8
227.07356	9.3
231.07239	3.4
231.30350	3.0
236.07364	10.0
237.02907	3.9
291.09253	6.9
309.10205	4.3
317.05859	40.8
317.08426	100.0
317.12030	13.7
317.14404	14.4
321.10297	3.5
322.10162	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16055	2.4
52.56011	2.7
54.26168	2.3
57.03429	6.1
61.02910	9.8
69.03426	17.1
70.09203	10.3
70.09604	6.0
71.04965	3.2
73.02903	4.8
81.03399	5.5
82.32799	2.6
85.02898	35.0
87.71644	2.6
97.02892	13.6
98.97591	7.5
99.04464	3.7
109.02870	5.1
116.98618	3.4
119.01906	10.8
127.03919	9.0
131.01929	5.4
133.03415	3.4
136.07558	8.7
137.05992	3.4
137.07901	11.7
138.05426	5.2
138.06390	2.9
145.03389	4.0
145.05014	7.3
146.05008	5.4
147.05025	5.8
153.01799	8.5
154.08589	7.1
154.94147	7.2
155.01843	3.1
155.04469	5.6
155.08987	8.1
158.99611	2.9
161.02959	6.3
164.05087	3.6
165.05984	2.9
171.05101	2.8
172.95253	14.2
173.02942	10.4
175.04547	4.7
177.00705	2.8
189.06049	8.3
190.96298	5.3
201.06013	4.2
205.04463	2.9
214.96295	14.0
219.01843	2.8
221.05200	3.9
223.52493	2.8
227.07356	9.3
231.07239	3.4
231.30350	3.0
236.07364	10.0
237.02907	3.9
291.09253	6.9
309.10205	4.3
317.05859	40.8
317.08426	100.0
317.12030	13.7
317.14404	14.4
321.10297	3.5
322.10162	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.01859	2.4
55.05507	11.1
56.96539	2.5
57.03431	29.4
59.04992	12.8
61.02922	14.8
66.79286	1.2
69.03082	1.4
69.03430	16.3
70.03738	1.1
70.35237	2.0
70.35653	3.9
70.86378	1.0
70.97707	1.0
71.04989	16.0
73.02928	2.6
73.06542	2.6
81.03426	7.6
83.04973	24.1
85.02901	29.8
86.03231	2.1
87.04454	3.2
91.03941	3.8
91.05480	2.4
97.02877	14.3
98.03281	1.4
98.97578	2.1
99.04444	3.2
101.06009	100.0
109.02860	6.0
116.98630	2.7
117.05490	1.9
119.01915	4.7
119.04936	1.3
119.06183	2.2
119.07048	29.7
125.02364	1.8
127.03923	11.5
128.04231	1.2
131.01901	1.6
134.99643	2.1
136.03905	2.2
136.07562	7.3
136.93155	1.3
137.02885	1.7
137.04419	1.3
137.05952	13.1
137.08078	42.5
139.03899	2.1
143.01921	1.8
144.02110	1.3
145.03423	2.3
145.04955	4.2
146.04987	1.4
146.99597	1.4
147.05064	1.4
153.01810	16.4
153.04036	3.2
154.00401	1.2
154.02187	15.6
154.05054	14.3
154.06189	2.6
154.08620	9.9
154.94196	1.7
155.01936	1.5
161.02924	3.6
161.05719	1.6
169.03511	1.8
171.04996	2.6
172.95233	9.1
173.02969	2.6
177.00775	2.0
178.04884	1.4
178.08583	1.7
183.05000	1.2
185.02910	1.5
187.04553	2.5
189.06056	1.2
190.94705	1.1
190.96213	7.0
195.92767	1.2
199.98604	2.0
200.98436	1.5
201.06174	1.7
203.03969	2.3
211.04643	1.4
214.05334	2.2
214.96255	6.4
219.01573	1.3
219.07126	2.6
220.04457	1.3
221.05069	2.3
226.55791	2.0
227.07632	4.0
231.07181	2.4
232.97293	1.5
236.07510	1.8
237.02737	1.4
244.97346	2.7
245.05045	2.2
275.06128	4.1
298.06332	2.1
302.00500	2.8
316.03436	2.9
316.10538	6.0
316.13992	10.9
316.99536	3.1
317.02878	3.2
317.08575	28.5
321.10321	9.5
322.10580	2.8
324.16873	1.2
339.11517	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2843
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.01873	0.6
55.05508	4.7
56.05034	4.6
57.03431	0.9
57.07068	1.7
58.02957	0.3
60.04522	100.0
61.04853	0.5
65.03936	0.4
67.05502	7.2
67.27034	0.2
68.05038	0.6
69.07063	5.7
70.06588	0.9
70.85362	0.6
70.85718	0.3
71.04993	0.4
71.08627	1.1
72.04514	1.9
73.02931	0.4
74.06074	2.1
79.05487	3.4
80.05016	1.0
81.03372	0.3
81.07055	7.8
82.06573	1.2
83.04968	0.7
83.08611	3.3
84.04485	0.4
86.06055	0.8
87.04454	0.6
90.05543	1.5
91.05463	2.8
91.05943	0.3
93.07032	3.7
94.06554	0.8
95.04970	0.7
95.08598	7.9
96.08130	0.8
96.08984	0.3
97.06529	0.7
97.10165	2.1
100.07613	0.6
100.33403	0.2
102.05527	0.3
105.07011	1.2
107.08575	1.5
108.08096	0.3
109.06565	0.3
109.10145	2.6
111.08042	0.4
111.11720	0.6
112.07604	0.5
116.07092	0.6
119.08587	1.7
121.10130	2.1
122.09643	0.3
122.50220	0.3
123.11699	1.1
124.11150	0.3
130.08598	0.3
133.10117	1.0
135.11696	1.0
137.09657	0.3
137.13257	0.4
145.27493	0.3
145.47902	0.2
147.11688	0.5
149.13274	0.4
212.23622	0.3
233.22476	0.3
245.22656	0.5
250.25343	1.4
262.25266	1.7
263.23685	0.6
268.26346	0.7
280.26346	11.6
281.26724	0.9
298.27390	13.7
299.27753	1.2
316.28439	54.7
317.28769	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	316.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.0
58.19682	0.5
58.93088	0.5
69.03427	0.5
70.06599	0.7
70.85979	1.4
73.98886	0.4
79.05476	0.7
81.07030	1.7
85.02889	0.9
98.97585	0.9
108.08085	0.8
109.06488	0.9
110.05975	0.6
116.98626	0.8
126.09171	0.8
139.06303	1.2
152.07060	0.5
153.01808	1.5
154.02144	1.7
154.08614	100.0
155.08978	1.1
165.05496	0.4
273.20871	0.4
287.38943	0.5
299.10385	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	316.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06808	0.4
53.03936	1.4
55.01854	1.5
55.05494	0.8
56.96560	3.3
57.03435	3.5
59.04982	0.9
61.02920	4.1
62.20542	0.4
65.76897	0.5
66.11591	0.5
67.05500	3.7
69.03424	12.8
70.03766	0.7
70.89346	1.4
70.91597	0.5
71.04984	3.4
73.02908	4.0
74.81954	0.5
79.05482	0.8
81.03415	4.2
81.07034	1.1
83.01336	0.8
83.04964	1.9
84.95993	0.5
85.02901	22.5
86.03237	1.0
87.04459	3.2
87.66056	0.4
91.03941	1.6
91.05487	3.1
93.05792	1.1
94.06522	0.5
97.02882	10.2
98.03177	0.6
98.97573	7.3
99.04443	2.2
101.00820	0.9
101.06007	4.0
105.70183	0.5
106.02826	0.6
108.08112	7.9
109.02876	3.0
110.97538	0.9
112.99121	3.3
113.06013	0.5
113.63242	0.5
116.98614	3.1
118.06532	1.0
119.01893	1.7
119.04980	0.7
119.07037	0.6
123.06782	1.0
124.07584	1.7
127.03918	7.5
128.02312	0.5
128.98599	1.7
131.00160	6.3
131.01855	1.6
131.07077	0.8
133.03426	1.7
134.99686	0.8
135.03120	0.7
136.07567	100.0
137.05971	10.7
137.08054	2.7
138.05403	0.9
138.09132	1.6
139.03308	0.6
143.00203	0.6
143.01895	0.6
145.03448	0.5
145.04939	3.4
146.99637	1.1
147.03143	0.7
149.01210	4.4
149.02917	0.6
152.07027	0.9
153.04037	0.6
153.55907	0.6
154.04973	3.4
154.06104	2.4
154.08617	53.8
155.01932	1.0
155.08894	0.5
157.03470	0.9
158.99625	1.3
161.01230	0.9
161.05508	0.7
163.02827	0.6
167.02382	0.6
168.03593	0.9
169.04395	2.8
171.04984	0.8
173.01234	1.1
173.02924	0.8
175.02759	1.3
175.04338	0.9
177.00604	1.3
177.04143	3.2
177.05516	0.5
178.04906	10.3
178.55049	1.9
180.07693	0.5
184.04913	0.7
185.56836	0.6
187.02747	0.6
187.04509	0.7
189.04295	1.1
189.05969	0.6
189.55707	0.8
191.02324	0.8
193.03867	1.8
199.04625	0.6
203.02171	0.5
206.04475	0.9
209.02962	0.6
211.04822	2.2
214.06052	0.5
219.01738	4.1
219.07127	0.8
220.06038	0.7
221.05075	1.2
226.05989	0.7
227.06750	0.7
231.07152	1.2
235.06496	4.7
235.08669	1.3
235.56627	1.0
236.07292	3.2
236.09529	0.7
237.02786	6.1
245.05125	0.8
249.06256	1.2
250.07135	3.1
250.57144	0.6
255.03999	0.8
259.06723	1.5
275.04376	1.3
293.05280	2.0
298.12671	0.5
305.10916	1.0
307.08923	0.5
308.09311	1.4
316.09650	5.7
316.13895	64.4
316.59274	1.3
317.09622	2.9
317.13971	1.0
321.10370	3.8
323.10144	0.5
335.06506	0.9
337.08054	6.6
339.11368	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.268
Annotation	Mansumbinone
Peak:m/z	Relative Intensity
53.03931	3.6
55.05508	13.1
57.07055	2.8
58.06585	9.0
58.89705	2.5
62.01708	2.4
66.59325	2.3
67.05499	17.3
69.07065	15.7
69.97224	13.4
71.04971	2.6
71.08628	2.4
79.05484	10.7
81.07050	65.8
83.08611	10.7
85.06548	19.2
91.05471	11.6
93.07043	30.9
95.04963	4.8
95.08606	47.2
97.10159	5.7
105.07019	36.6
107.04962	4.6
107.08597	29.3
109.10128	21.7
109.22332	2.5
111.08024	3.6
115.05496	2.5
117.07008	8.0
119.08586	33.7
121.10134	27.3
123.11687	5.3
131.08534	25.2
133.10127	14.8
135.11679	17.8
137.13213	3.4
143.08522	4.3
144.09372	3.3
145.10121	46.7
147.11678	16.1
149.13274	19.5
153.01814	4.3
157.10109	10.2
159.11694	100.0
159.13002	5.3
160.12408	2.8
161.13268	16.7
163.14839	8.4
171.11763	3.4
173.13213	22.8
175.14838	6.1
185.13272	4.4
187.14763	12.4
189.16379	8.4
198.08298	2.2
199.14828	6.5
201.16388	9.5
203.17992	5.8
213.16377	12.0
215.17970	26.2
217.19585	10.4
224.68677	2.4
227.17906	5.1
229.19521	3.8
230.42195	2.5
241.19493	4.8
269.22723	2.7
297.25723	27.7
299.11136	24.3
300.11703	7.7
315.08542	4.6
315.14291	33.1
315.17642	5.7
315.23242	4.0
315.26752	71.4
316.14496	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	316.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73021	0.9
56.96550	1.6
65.03908	0.9
67.05479	1.4
69.03414	1.2
69.82604	2.1
69.83015	4.3
81.03392	1.0
83.04944	1.1
93.03379	0.9
95.04938	1.5
97.02850	1.8
98.97569	1.3
98.98468	1.3
101.00876	3.2
109.01334	1.3
111.04394	1.5
119.01904	33.2
120.02020	1.7
121.02852	3.6
127.02393	2.7
130.05008	0.9
136.93098	1.4
137.02931	13.9
139.03862	1.3
142.03465	1.3
143.00113	1.7
143.01913	2.1
143.05435	1.1
145.03442	24.7
146.03653	1.4
154.94174	4.4
157.03448	5.4
161.01202	2.4
161.02914	4.7
163.04486	3.2
167.02098	1.0
169.03450	31.4
170.03577	2.6
171.04999	5.8
172.95230	10.5
173.03070	1.2
175.04492	3.7
185.02975	13.8
185.06453	1.1
187.04504	52.0
188.04660	2.6
189.02525	1.5
189.06068	2.1
190.96219	8.3
195.05000	2.5
197.02875	7.2
198.98576	1.0
203.03972	7.4
205.05580	11.7
210.06114	2.7
211.04408	2.8
213.06027	3.7
214.96263	3.7
215.00266	1.0
215.04002	13.1
221.02922	2.3
221.04930	1.0
229.05553	19.9
230.05722	1.4
231.03387	2.0
237.02798	2.6
238.05467	1.0
239.03984	1.9
247.06636	15.3
249.04585	1.7
255.03833	3.4
257.05035	2.9
269.97940	0.9
270.08200	1.2
275.06091	100.0
276.06244	6.6
284.01773	1.1
292.89847	2.0
293.07135	29.0
294.07199	1.7
310.91025	4.1
316.03183	2.1
316.08817	5.8
316.99393	5.3
317.02710	0.9
335.00491	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	315.1952
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
53.03936	1.9
55.01866	1.6
55.05504	2.0
59.04987	4.2
67.05184	1.1
67.05492	7.6
69.03123	1.1
69.03422	11.5
69.07055	2.3
69.64966	4.6
69.65374	1.7
79.01842	5.2
79.05477	3.3
79.66656	0.9
81.03404	7.7
81.07041	4.0
83.05015	1.3
83.08636	1.1
85.02895	5.1
85.06520	1.1
91.05459	9.3
93.07029	4.8
95.04956	2.0
95.08585	13.4
97.02880	2.9
97.06541	1.8
99.08106	2.4
103.05434	1.0
105.07025	8.4
107.01296	1.7
107.08574	7.8
109.02864	5.6
109.06489	4.5
109.10143	13.3
111.08053	2.6
115.05472	1.0
116.06237	1.1
117.07007	4.4
119.08568	9.8
121.06477	2.1
121.10137	8.9
121.93137	1.0
123.08073	2.6
125.02323	4.4
127.03924	6.5
128.06177	4.3
129.06975	3.4
131.08553	19.5
133.10117	8.5
135.08037	2.2
135.11697	2.1
137.09601	41.5
138.09862	1.3
139.11165	11.3
142.07777	1.3
143.03395	7.5
143.08549	22.0
145.06465	2.7
145.10101	4.2
147.08022	11.4
147.11641	1.4
149.09618	2.5
151.11169	2.1
153.01811	100.0
154.02184	4.3
155.08562	1.5
155.10611	1.6
157.10107	3.8
159.08037	31.9
159.11655	2.9
160.08813	1.4
161.05966	1.8
161.09608	42.7
163.03885	1.4
163.07530	1.8
163.11130	1.1
169.10112	2.8
170.10840	1.9
171.02861	5.5
171.08034	1.5
171.11667	3.9
172.08853	1.3
173.09604	4.0
173.13214	2.4
175.11116	3.3
179.07080	1.2
179.08646	1.6
180.09352	1.8
181.10011	1.7
182.06117	1.0
183.11617	2.7
185.09572	2.9
185.13280	4.6
187.11185	4.3
189.12616	1.5
190.21941	1.0
193.10124	1.2
195.11725	2.2
197.09586	1.4
198.10390	1.0
199.11150	2.7
201.12711	5.5
201.81206	1.0
203.14293	18.2
208.12466	1.2
209.09560	1.5
209.13220	3.2
211.14699	1.6
211.38675	1.3
213.06944	1.0
213.12764	2.9
217.12245	1.7
219.13719	1.6
221.13297	1.6
223.11151	1.1
223.14575	1.4
225.12697	2.0
227.14227	2.6
237.12704	2.6
239.14302	4.7
241.15799	1.7
246.14192	1.3
251.08061	1.3
251.17894	3.5
253.15831	2.0
255.13751	1.7
255.17371	3.0
261.16373	1.8
265.83160	1.1
269.09149	2.9
269.18936	6.4
279.07620	2.3
279.17365	10.3
283.09653	1.7
297.05951	3.5
297.08746	4.1
297.15042	1.3
297.18454	27.5
315.09631	3.4
315.15799	2.0
315.19467	22.5
315.26901	1.1
332.69083	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1954
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
50.09826	1.0
50.17334	0.9
51.12936	0.8
53.03958	1.1
55.01850	1.3
55.05505	4.2
56.96570	1.7
57.03439	1.2
59.04987	1.4
59.38481	0.9
62.17056	0.9
67.05496	4.9
69.03428	4.0
69.07069	12.0
69.51394	2.3
69.51797	8.0
71.04982	1.1
79.05495	3.3
81.03398	2.2
81.07053	8.4
83.04974	3.0
83.08604	2.2
83.14677	1.0
85.02898	1.4
85.06570	1.3
91.05464	9.8
93.07041	5.6
95.04969	2.4
95.08613	5.5
97.02908	1.7
97.06519	4.4
99.08109	1.3
103.05433	1.0
105.07024	6.8
107.04945	2.9
107.08589	6.1
109.02876	2.3
109.06532	4.4
109.10149	8.0
109.73050	0.9
111.08083	2.1
112.97030	1.1
116.98606	1.2
117.07040	4.3
119.08573	15.9
121.06522	3.2
121.10134	4.1
123.04401	2.8
123.08084	2.4
123.11726	2.3
125.09639	3.2
128.06195	1.2
129.07024	2.7
131.08574	2.5
132.05678	6.2
133.10117	4.5
134.36198	0.9
134.99660	1.7
135.08023	6.7
135.11697	10.0
137.05981	4.1
137.09631	2.7
143.08574	2.3
145.06493	4.9
145.10146	3.0
147.08040	100.0
148.08441	3.0
149.09639	6.6
153.01808	16.1
154.02142	1.3
155.08557	1.7
157.10149	2.7
158.07265	1.4
159.08063	4.1
159.11719	3.1
161.05971	2.1
161.09615	11.8
161.13237	3.0
163.07574	4.0
165.07016	2.2
169.10178	1.5
171.08058	3.6
171.11731	1.9
172.08879	1.1
173.09625	10.9
173.13266	1.5
175.11195	3.6
183.11749	1.6
184.08852	2.7
185.09700	4.7
185.13210	1.6
187.11133	5.1
189.09099	1.3
189.12778	1.5
195.11685	2.3
197.09639	1.2
197.13118	1.3
198.10309	1.9
199.11189	9.0
200.11667	1.1
201.12741	3.9
209.09503	1.6
209.13249	1.2
211.11247	2.2
213.09189	1.0
213.12701	6.9
215.14203	2.2
223.11140	2.0
225.12675	2.7
227.14339	3.4
237.12839	1.1
239.14304	2.3
241.12067	1.2
241.15761	5.3
249.12723	1.0
253.15926	2.1
255.10069	2.8
255.17393	1.6
269.19006	5.0
279.17419	9.8
283.09702	3.5
297.18512	12.1
297.22134	4.1
299.11060	3.1
300.11926	2.5
315.08075	3.2
315.14450	6.6
315.19501	23.3
315.23209	23.0
315.26633	1.5
316.19873	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1952
Annotation	17-Ethynyl-10-hydroxy-19-nortestosterone
Peak:m/z	Relative Intensity
55.05495	5.1
56.96561	2.6
57.07057	1.6
67.05495	5.6
69.03433	8.2
69.07058	6.2
69.62804	14.0
79.01856	3.3
79.05482	5.1
81.03397	7.6
81.06622	1.8
81.07050	6.2
83.04956	3.0
83.08601	1.7
85.02884	7.9
91.05474	10.7
93.07047	12.6
95.04949	2.6
95.08615	7.8
97.02866	2.1
97.06531	3.8
98.20703	2.1
105.07029	11.5
107.04955	3.2
107.08580	7.0
109.02888	8.0
109.06512	6.2
109.10160	5.6
111.08061	2.2
116.18289	2.0
116.98555	2.2
117.07049	2.7
118.07750	1.8
118.78252	1.6
119.08587	11.8
121.06420	3.4
121.10139	7.5
123.04423	1.6
123.11679	3.3
125.02349	4.1
125.09630	2.5
127.03905	5.3
129.06952	3.1
131.08543	8.1
132.05687	2.0
133.10120	5.6
134.99634	2.2
135.08002	3.3
135.11710	2.9
137.06013	3.2
137.09592	4.6
143.03360	8.0
143.08539	6.1
145.06485	5.0
145.10123	7.2
147.08032	38.8
147.11678	2.9
149.09586	7.3
153.01825	100.0
154.02193	3.2
158.07274	2.0
159.08063	8.3
159.11702	3.9
161.05948	7.5
161.09589	27.3
165.06966	3.1
167.08441	1.7
171.02896	5.3
171.08034	1.9
172.08855	4.5
173.09624	10.5
173.13210	1.6
175.11150	3.6
185.09624	4.1
185.13275	2.7
186.10388	2.5
187.11174	3.9
187.14888	3.9
195.07997	5.0
197.06305	1.9
197.09628	2.3
197.13123	2.1
199.11176	5.8
201.12724	18.9
208.05235	3.3
215.17944	2.5
222.06834	2.1
223.07532	4.1
225.12582	3.0
227.10651	3.0
227.14313	1.8
229.12250	3.1
239.14203	2.3
240.07831	3.5
241.08507	2.0
241.15970	2.1
249.46857	1.9
255.10136	8.4
255.13589	2.7
269.19296	3.5
279.17426	13.8
283.09622	19.7
284.10034	2.1
287.12869	3.7
287.19867	2.3
297.06027	4.0
297.18414	23.0
299.10995	6.6
300.12085	3.2
315.08188	7.4
315.12128	8.2
315.14670	5.3
315.19513	27.9
315.23154	5.6
315.26889	4.5
316.12320	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	315.1953
Annotation	3,4-seco-Sonderianic acid
Peak:m/z	Relative Intensity
50.32164	0.6
50.72000	0.5
53.03936	1.1
55.01857	1.2
55.05505	8.2
57.03446	1.2
57.07078	2.9
59.83038	0.5
60.29471	0.6
65.03922	0.9
67.05177	0.7
67.05502	11.2
69.03423	5.3
69.06718	1.0
69.07062	12.7
71.04989	1.3
71.08609	1.8
71.59195	1.0
73.02888	0.9
77.05801	0.5
79.01842	3.4
79.05488	4.2
81.03420	7.4
81.07047	28.5
83.04976	0.9
83.08617	6.3
85.02902	6.6
85.06516	2.0
85.10162	0.8
91.05466	4.1
93.07051	8.2
95.04941	1.1
95.08597	24.8
97.02888	1.5
97.06528	4.1
97.10162	6.6
99.04468	0.7
99.08081	1.8
105.07030	5.2
107.01312	2.2
107.04940	0.9
107.08588	6.5
109.02872	5.2
109.06508	2.6
109.10143	13.9
111.08054	2.0
111.11723	3.6
115.05446	0.9
117.06936	1.4
119.08575	4.3
121.06514	1.1
121.10131	4.6
123.08130	0.9
123.11689	8.5
125.02356	4.2
125.09671	1.5
125.13276	1.7
127.03903	4.8
129.07019	1.5
131.04929	1.6
131.08545	3.2
133.10107	2.8
135.08081	1.7
135.11674	4.0
137.06001	1.1
137.09618	1.2
137.13245	3.0
141.06970	1.5
142.07785	1.5
143.03358	7.4
143.08551	2.2
145.06465	1.6
145.10120	3.9
145.19601	0.6
146.03616	1.4
147.08049	3.5
147.11600	0.7
149.09674	0.9
149.13228	3.6
151.14815	1.9
153.01817	100.0
154.02164	4.3
154.07788	0.8
155.08562	1.9
156.09352	0.9
157.06461	1.1
157.10098	2.2
158.07225	5.0
159.04353	0.7
159.08081	5.4
159.11682	1.9
161.05948	5.4
161.09608	8.2
163.03905	0.9
163.07516	2.4
163.14806	1.5
165.06973	3.1
165.16415	1.0
166.07838	1.3
167.08542	2.3
169.06462	1.6
169.10127	2.1
170.07240	1.3
171.02869	6.4
171.08031	4.5
171.11652	1.4
172.08813	3.2
173.09604	15.3
175.07523	1.0
175.11201	1.2
177.07014	1.5
177.16382	1.1
179.08646	1.3
180.09367	0.7
181.06509	0.8
181.10129	1.2
183.08051	2.3
183.11649	0.9
184.08783	3.3
185.09613	9.6
185.13266	0.8
186.10295	1.2
187.11171	17.9
189.09128	1.9
189.12662	0.9
191.07037	1.1
193.10086	1.1
194.07278	1.2
195.07993	5.2
195.11723	1.7
196.08632	1.0
197.05951	0.8
197.09579	6.2
197.13303	1.1
198.10382	5.8
199.11154	7.3
201.09090	0.7
201.12727	5.1
205.19356	0.7
207.11781	0.8
208.05142	1.2
208.08824	0.9
209.09601	1.6
210.10248	0.8
211.11119	5.8
213.09154	1.0
213.12718	16.1
221.06038	1.0
221.13383	0.9
222.06668	1.6
222.10391	1.4
223.07494	4.4
223.11067	2.9
223.14755	0.8
224.08179	1.0
224.12126	0.8
225.12724	2.4
225.15099	0.7
227.10555	1.5
227.14264	2.4
235.11191	1.5
236.11842	0.8
237.09116	0.8
237.12743	3.7
239.06895	1.2
239.14307	4.3
240.07809	3.1
241.15752	1.0
243.13797	0.7
249.12796	0.8
250.13530	1.0
251.06911	1.7
251.14342	1.6
255.10219	5.5
261.25662	3.2
264.14969	1.0
265.08664	1.6
267.17572	1.4
268.07440	0.7
269.08221	1.8
269.19000	3.6
279.17441	17.3
279.26682	3.3
283.09616	16.4
284.10300	1.0
285.10648	0.7
285.18524	0.7
297.06030	3.3
297.18484	16.2
297.27521	0.8
299.11084	1.1
315.08093	2.1
315.12286	8.2
315.19492	10.7
315.22894	1.1
315.26639	1.4
316.12421	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0706
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02366	0.5
53.03925	0.8
54.18711	0.2
55.01860	0.3
57.03418	0.9
61.02916	0.3
63.16775	0.3
69.03075	0.4
69.03421	5.2
69.67374	1.5
69.67790	0.5
71.04978	0.7
79.01851	3.9
81.03413	7.3
85.02898	5.5
97.02884	3.5
99.04432	0.8
107.01302	1.9
109.02867	5.0
113.17905	0.3
115.31474	0.2
125.02333	5.4
127.03902	6.0
135.00752	0.4
143.03387	8.1
153.01814	100.0
153.02788	3.6
154.02164	1.2
154.47269	0.2
171.02863	6.1
184.57596	0.4
195.02913	1.3
214.60060	0.3
297.06039	4.8
315.07147	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.6
53.03935	0.6
55.01865	0.4
57.03429	0.6
61.02930	0.3
61.84971	0.3
65.75512	0.3
69.03426	4.8
70.74612	0.8
71.04991	0.7
78.13189	0.3
79.01852	3.9
81.03416	8.2
83.90323	0.3
85.02896	5.0
89.27686	0.3
97.02896	2.8
99.04425	0.9
107.01293	1.9
109.02881	5.5
113.76418	0.3
123.04426	0.6
125.02354	3.7
127.03916	6.3
143.03392	6.9
153.01825	100.0
153.02800	4.0
154.02184	1.1
171.02888	5.8
237.04012	0.4
297.06042	6.0
315.07028	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	315.0706
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02367	0.4
52.84875	0.2
53.03937	0.8
53.76102	0.2
57.03418	0.5
61.02910	0.3
68.02208	0.2
69.03422	4.0
70.54177	0.8
70.54520	0.3
71.04987	0.3
73.02920	0.3
79.01849	3.8
79.43951	0.2
81.03410	6.2
85.02424	0.4
85.02901	5.7
93.07034	0.2
97.02902	2.4
97.09907	0.2
99.04454	0.7
107.01286	1.8
109.02876	5.3
118.86341	0.2
125.02335	4.5
127.03910	5.7
143.03386	7.6
153.01816	100.0
153.02786	3.6
154.02148	1.3
154.03326	0.2
163.03830	0.3
163.83362	0.2
171.02869	6.3
190.84811	0.2
191.03423	0.7
235.41216	0.3
297.06061	3.9
315.01596	0.4
315.07062	2.1
326.38416	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.5
53.03931	0.7
54.10401	0.2
55.01858	0.5
56.96555	0.3
57.00773	0.2
57.03419	0.6
59.44701	0.2
61.02913	0.5
67.49946	0.2
69.03084	0.3
69.03425	4.0
70.13853	0.8
71.04989	0.5
73.02909	0.3
76.28664	0.2
79.01853	3.9
81.03413	6.0
85.02897	5.1
93.64275	0.2
97.02898	2.0
98.20899	0.3
99.04443	0.4
107.01307	2.3
109.02871	5.0
116.98623	0.3
123.04430	0.2
125.02336	4.5
127.03906	5.3
143.03394	7.4
145.04973	0.3
146.99677	0.3
153.01817	100.0
153.02788	3.6
153.59354	0.2
154.02126	1.2
163.03893	0.3
165.05530	0.2
170.27338	0.2
171.02878	6.0
191.03325	0.4
203.03381	0.4
231.02907	0.4
259.02380	0.3
269.23273	0.2
283.09573	0.2
287.01791	0.3
291.54581	0.5
297.06052	3.6
303.05453	0.2
315.01343	1.6
315.07077	2.6
315.19333	0.2
321.37952	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01165	0.2
51.77754	0.2
54.08358	0.2
56.96555	0.8
57.03432	1.7
60.87460	0.2
61.01139	0.8
61.02924	0.6
65.00613	0.2
69.03423	3.0
69.88758	0.4
69.89170	0.9
70.06590	0.4
71.04976	0.9
73.02908	0.9
75.02666	0.2
79.01839	0.6
81.03414	1.3
83.04978	0.2
84.04490	0.2
84.08121	0.4
84.96028	0.3
85.02895	4.3
86.29230	0.2
87.02657	0.2
87.04440	0.3
89.06028	3.1
94.04029	0.3
97.02882	42.1
98.20816	0.3
98.97573	1.4
99.04439	0.4
108.08112	3.4
109.02854	1.1
115.02113	0.2
116.98614	0.6
117.05482	2.5
119.01736	0.5
119.03558	0.4
119.04944	0.3
120.08097	0.2
123.06766	0.5
124.07609	0.6
125.02315	0.5
127.03908	1.7
128.98628	0.5
134.05983	0.5
134.09656	0.7
134.99622	0.7
135.04404	0.2
135.05528	0.4
135.06497	2.7
136.06172	100.0
137.04564	0.7
137.05791	0.3
137.06664	0.2
143.00037	0.2
143.00577	0.2
143.01634	2.0
143.03369	1.0
145.04965	0.9
146.99677	0.5
148.06169	0.6
150.07739	0.4
151.53035	0.3
152.07050	5.0
152.09091	0.4
152.10632	1.0
153.01816	11.8
153.02824	0.4
154.08632	0.3
160.53638	0.5
161.02649	1.5
162.07698	0.5
164.05650	4.6
171.02765	0.5
173.02930	0.3
177.00685	0.4
178.07239	2.1
179.03670	1.5
180.08624	0.2
182.03146	0.2
189.00754	0.2
191.03868	0.3
200.02280	0.3
219.01730	0.6
220.08261	0.2
221.05000	0.3
223.55153	1.6
224.05371	0.4
232.08337	0.2
232.55663	0.7
237.02841	1.7
248.07738	0.8
248.99214	0.2
250.09354	0.6
278.07129	0.4
284.04364	0.5
286.07596	0.3
296.08154	3.9
296.11304	0.3
298.10715	0.3
302.05493	1.5
314.09116	11.0
314.12454	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	314.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33525	0.4
53.03937	1.4
55.01873	2.7
55.02102	0.5
57.03435	19.9
59.04994	3.0
61.02918	3.8
63.11211	0.5
66.84580	0.5
69.03426	8.9
70.06576	0.7
70.07225	1.9
70.74922	0.5
71.01351	6.3
71.04991	9.2
73.02916	15.0
73.47358	0.5
75.04477	4.6
76.07639	1.9
76.12585	0.5
79.01850	1.2
81.03412	7.1
83.48113	0.5
85.02900	25.4
86.39957	0.5
87.04471	1.5
89.02386	0.9
89.06024	1.5
90.05539	0.6
91.03948	1.2
95.08575	0.5
97.02888	11.2
98.20749	0.6
98.97566	0.7
99.04449	25.7
100.04791	0.6
103.03967	0.7
107.01273	0.6
108.08105	2.2
109.02873	4.1
110.03545	0.7
111.15747	0.5
116.98650	0.5
117.05489	100.0
120.08131	0.6
124.07566	0.6
125.02345	2.0
127.03909	8.2
127.04790	0.6
131.01910	0.6
133.04968	0.6
135.05548	0.5
135.06519	13.3
136.06177	4.5
138.05534	0.8
140.07088	0.5
143.03407	2.1
145.03706	0.7
145.04935	8.8
150.62160	0.5
152.07031	3.0
153.01822	31.3
153.03928	5.2
153.05791	1.2
154.02483	0.6
156.97481	1.3
161.02963	0.5
163.05977	2.4
165.63181	0.5
171.02914	1.8
173.02901	0.7
174.98529	2.1
188.89122	0.6
198.98491	2.7
213.00056	1.3
216.99585	1.2
221.04823	0.5
227.01823	0.6
234.98598	1.3
243.08632	0.5
245.05025	0.6
261.09601	1.0
283.00659	1.3
296.13657	0.7
297.06049	2.0
297.11832	0.6
298.10684	1.3
301.01505	0.6
314.09036	1.0
314.12656	2.8
314.17407	0.7
315.03168	3.0
315.06885	1.2
315.10437	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	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43452	0.6
55.05508	6.0
57.03436	14.4
57.07074	42.0
58.06605	1.1
58.50767	0.5
65.94265	0.7
67.05171	0.8
67.05507	9.7
69.07063	9.9
69.53847	5.8
69.72168	0.5
71.04992	0.9
71.08632	30.7
75.04462	0.7
79.05466	1.1
81.07056	11.6
81.49031	0.6
83.08617	10.2
85.06519	0.6
85.10182	13.9
87.95499	0.7
89.06020	2.6
91.05466	1.9
93.07039	1.2
95.08606	15.8
96.53083	0.7
97.10150	5.2
98.20744	1.3
99.11722	1.3
99.14201	0.6
103.07561	1.4
109.10155	6.8
119.08552	0.9
123.11686	3.6
134.77319	0.6
135.11673	0.7
137.13260	1.0
142.94858	0.7
147.79161	0.6
151.07550	1.9
151.14830	0.8
185.62306	0.7
239.23676	4.3
257.24731	3.8
298.10699	5.6
298.27423	1.0
299.11554	4.3
304.92578	0.7
313.27371	100.0
314.13925	17.9
314.17477	3.8
314.27692	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	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	0.6
54.19162	0.4
55.05302	0.5
55.05508	5.0
57.03156	0.4
57.03438	12.4
57.07074	35.8
58.06595	2.5
58.07404	0.5
65.03939	0.4
67.05504	7.7
69.07062	6.7
71.08631	25.2
73.06522	0.4
75.04481	0.5
79.05480	0.6
81.07059	9.8
83.08621	6.8
85.06536	0.5
85.10180	13.8
89.06008	1.6
91.05470	0.5
93.07034	0.8
95.08607	14.7
97.10169	4.0
97.64809	0.4
98.69974	0.3
99.11718	0.7
103.07569	1.8
105.06987	0.6
105.20753	0.4
107.08590	1.0
109.10158	6.5
111.11708	1.1
123.11681	2.6
125.13239	0.6
125.48456	0.4
137.13264	1.1
151.07552	0.8
151.14806	0.5
177.80463	0.4
190.69836	0.4
192.78365	0.4
212.23694	0.6
215.81125	0.4
229.65953	0.5
239.23732	4.0
257.24710	4.1
298.10724	5.2
298.27396	1.3
299.11533	4.1
313.27365	100.0
314.13913	9.3
314.17487	1.5
314.27820	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97029	0.9
54.03000	0.9
55.05507	8.1
57.03434	18.7
57.07073	51.0
58.06596	8.4
59.43782	0.8
60.77297	0.9
66.66024	0.8
67.05508	11.0
69.07062	8.5
69.39873	8.4
69.72047	0.8
71.08627	32.9
81.07053	14.5
83.08600	9.7
85.06555	1.0
85.10177	19.1
88.43290	1.0
89.06018	2.9
91.05495	1.3
93.07044	1.9
95.08604	21.7
96.08881	0.9
97.10140	5.1
100.84299	0.9
103.07565	1.6
103.21375	0.9
105.06983	1.4
107.04938	4.0
107.08582	1.6
109.10148	10.6
119.08580	1.0
121.10148	0.9
123.11686	4.0
125.13303	1.2
137.05873	1.0
137.13255	1.2
145.10059	1.1
151.07518	4.6
152.07059	1.2
239.23688	4.0
248.78876	1.2
257.24768	3.8
261.18973	1.0
283.08386	1.6
298.10721	28.5
298.27371	1.4
299.11484	9.4
313.27368	100.0
314.13895	29.7
314.17484	4.8
314.27649	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	313.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.6
55.68618	1.4
57.07057	4.9
58.31412	1.3
67.05493	2.6
69.07063	4.2
71.08584	1.9
71.61235	1.6
76.38130	1.4
79.05486	1.9
81.07066	7.2
83.04967	7.2
83.08581	2.1
85.06519	1.7
91.05472	3.4
93.07029	6.2
95.04980	1.5
95.08592	6.8
105.07005	5.5
107.08589	4.3
109.10152	2.7
110.32893	1.5
112.91750	1.6
117.07026	1.5
119.08553	5.1
121.10162	2.2
131.08504	2.0
133.10080	2.4
139.66376	1.3
147.11679	3.2
151.07518	4.1
152.07079	1.4
157.10127	1.9
159.11691	2.7
161.09630	1.5
161.13177	3.1
169.10118	2.4
171.11552	2.1
183.11696	1.9
197.13249	1.8
199.14859	1.4
253.19449	2.2
295.16806	1.4
298.10696	16.5
299.11526	8.8
313.18021	4.8
313.21356	100.0
314.13843	37.9
314.17279	2.3
314.21609	4.2
314.30978	1.4
314.33948	6.8
323.71280	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.237
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
55.01884	2.2
55.05496	7.3
57.03456	2.5
57.07061	7.3
63.20785	1.6
67.05508	15.6
69.03420	4.1
69.07065	10.4
71.04998	4.4
71.08620	3.4
71.59689	2.3
73.03659	1.6
79.05482	7.7
81.03403	8.3
81.07046	18.7
83.04967	4.9
83.08610	6.1
85.02895	2.8
85.06554	1.9
85.10173	10.6
91.05473	6.2
91.31815	1.7
93.07061	10.5
94.87050	1.5
95.04987	8.4
95.08605	11.5
97.02902	1.6
97.06492	2.7
97.10151	4.9
105.07017	8.9
107.08558	9.0
109.06541	3.2
109.10158	10.7
113.09630	7.0
117.06968	2.5
119.08568	6.9
121.10130	2.7
123.08000	2.0
131.08516	3.2
133.10127	6.5
135.08037	2.9
135.11719	2.0
137.09566	2.0
143.08672	2.1
144.81061	1.6
145.10114	2.7
147.08032	5.9
147.11653	3.5
149.09528	2.3
151.07521	3.2
151.11189	3.7
153.12656	2.0
159.08073	2.0
161.09619	4.9
165.12759	11.6
169.10062	2.0
171.11737	1.8
175.11154	3.0
179.14325	1.9
185.09517	2.2
187.11174	2.0
199.11142	2.3
207.11623	1.8
231.10767	2.7
253.12851	3.7
267.17438	2.6
268.26428	4.8
277.21631	30.0
295.17191	3.8
295.22678	100.0
296.22934	3.7
298.10703	13.4
299.11429	7.3
313.17926	11.7
313.21359	3.5
313.27390	2.6
314.13849	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	9.7
55.25483	2.0
56.55126	2.2
57.03417	4.5
57.07053	9.1
58.06592	5.8
67.05499	17.4
69.07050	11.3
71.08605	2.7
79.05495	12.6
81.07060	47.7
83.08585	7.8
85.06541	16.1
91.05476	19.8
93.07034	45.7
95.04924	5.1
95.08598	41.0
97.06512	4.0
97.10144	3.6
99.08055	2.5
105.07019	33.4
107.08590	29.1
109.06501	2.7
109.10155	19.2
111.08043	7.7
112.98827	2.2
117.06979	6.6
119.08567	37.0
121.10143	21.1
123.11713	6.1
125.09612	2.9
129.06979	5.3
131.08565	18.2
133.10112	20.3
135.11665	7.8
137.05884	2.2
143.08549	8.5
145.10136	25.3
147.11667	14.4
149.13258	7.2
151.07523	6.5
152.07112	2.9
155.08469	3.4
157.10127	15.1
159.11661	33.2
161.13268	12.0
163.14856	2.6
169.10097	6.2
171.11703	12.3
173.13239	15.4
174.69363	2.4
175.14799	4.9
177.12657	3.5
183.11639	7.1
185.13261	12.2
187.14786	12.1
189.16277	4.9
197.13188	6.5
199.14746	14.9
201.16292	13.9
203.17885	9.1
205.15776	3.0
211.14821	6.3
213.16389	20.3
215.14343	2.3
215.17957	21.7
219.17339	2.7
225.16417	3.8
227.17918	3.5
231.17473	3.1
239.17862	10.0
244.99953	2.5
253.19606	3.2
255.21027	5.6
258.27838	2.6
267.20819	3.5
269.22610	6.4
281.90759	2.3
285.25821	5.7
295.20776	3.0
295.24191	49.7
298.10782	29.5
299.11465	23.4
313.12930	3.0
313.18018	3.6
313.21732	7.2
313.25156	100.0
314.13876	70.7
314.17307	4.1
314.25613	3.2
314.34109	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	313.1796
Annotation	2beta-Hydroxyjatropholone
Peak:m/z	Relative Intensity
54.01017	1.1
55.01862	2.0
55.05506	4.5
57.03428	1.5
57.07069	1.2
67.05502	7.4
69.03428	57.8
69.07053	4.2
70.74174	4.4
71.04985	3.6
79.05495	6.3
81.07063	7.3
83.04996	6.4
85.02891	2.6
85.06518	1.9
91.05488	12.2
93.07042	12.1
95.04964	9.4
95.08598	9.4
97.02864	1.6
97.06540	3.4
99.04452	1.6
103.05468	1.8
105.07020	11.6
107.04948	5.0
107.08614	8.8
109.06515	10.7
109.10144	2.6
111.04417	4.9
111.08047	1.8
115.05467	2.3
117.07030	3.2
119.08572	9.9
121.06487	8.3
121.10162	3.5
123.04443	10.7
123.08025	6.5
124.82109	1.2
128.06224	4.9
129.06981	5.2
131.04973	1.6
131.08583	11.9
133.06488	3.1
133.10110	7.8
135.04416	1.5
135.08046	7.5
136.07530	1.2
137.05971	3.3
137.09587	4.6
138.09111	4.4
139.03900	4.9
141.06958	5.1
142.07785	13.8
143.08566	23.2
144.09206	1.3
145.06442	3.6
145.10123	14.5
146.06042	2.5
146.07254	1.5
147.04437	2.1
147.08046	7.0
147.11682	2.0
149.02356	1.7
149.09590	11.8
151.03876	3.8
151.07521	3.5
152.07089	4.1
153.06989	2.1
154.07706	2.4
155.08505	7.2
156.09390	6.1
157.10123	42.0
158.07259	2.2
158.10468	1.3
159.08067	12.8
159.11679	4.1
161.09642	6.8
162.05446	3.6
163.03905	3.7
163.06284	2.0
164.07002	5.9
165.06995	4.6
165.09172	2.4
166.07739	1.6
167.08563	4.5
168.09348	2.6
169.10120	15.5
171.08037	10.6
171.11650	11.3
172.08830	2.8
173.09599	8.5
173.13203	6.5
175.07510	1.6
175.11221	3.8
176.07060	9.7
177.05498	1.4
177.09082	3.4
178.07817	1.4
179.03450	1.7
179.08556	12.3
180.09300	2.7
181.06471	1.7
181.10103	8.0
182.07230	2.1
182.10898	3.0
183.02928	1.7
183.08026	2.7
183.11687	12.0
184.12383	1.7
185.09622	14.9
185.13232	3.2
187.11174	5.1
189.12808	3.4
191.10590	2.1
192.09328	4.4
193.10092	8.0
194.10907	9.6
195.08040	5.0
195.11682	7.3
196.08788	2.3
196.12444	3.3
197.09575	6.2
197.13251	12.3
198.10280	1.7
199.11165	11.4
199.14809	3.1
201.09067	1.4
201.12729	1.7
203.10680	3.6
204.06506	1.3
204.09285	1.5
205.10196	1.9
206.10948	2.5
207.11694	14.2
208.12425	3.4
209.09572	3.0
209.13237	27.7
210.10376	7.7
210.13921	2.9
211.11166	14.3
211.14827	4.3
212.11984	4.3
213.12788	3.1
215.14281	1.6
217.12376	6.3
219.11705	5.4
220.12523	2.2
221.13246	5.2
222.10387	2.1
222.14012	2.0
223.11215	3.9
223.14842	3.0
224.11945	2.5
225.09300	1.7
225.12762	22.8
225.16328	2.9
226.13522	11.5
227.14288	29.4
233.09694	1.7
234.13994	2.7
235.11174	3.0
235.14703	3.0
237.12743	7.8
239.10605	2.0
239.14346	6.5
239.17909	2.8
241.12206	1.7
243.13788	4.3
244.12511	2.5
247.11176	5.6
248.12065	1.5
249.03969	2.4
249.16341	9.2
251.14375	3.1
251.18004	1.5
252.15108	1.7
253.12260	8.2
253.15926	6.3
255.13797	6.7
259.14825	3.0
262.13538	4.8
265.15756	1.5
267.17429	17.6
268.17776	1.8
271.05862	1.3
271.13342	3.8
277.15839	15.1
284.09174	1.6
285.07544	1.9
285.18445	4.3
286.10675	2.6
295.16931	66.2
296.09134	3.3
296.17300	3.4
298.10678	4.1
299.11624	3.0
312.81885	1.3
313.06601	3.2
313.17969	100.0
314.10248	19.2
314.13724	6.8
314.18195	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	312.1625
Annotation	Axiplyn E
Peak:m/z	Relative Intensity
55.05493	1.0
57.07063	1.8
58.99560	1.0
64.79289	0.8
67.05499	1.6
67.71815	0.9
69.03397	2.0
69.07063	1.5
69.14657	0.8
70.02934	1.4
70.06573	0.8
71.58518	1.1
79.05473	2.4
81.07040	2.2
83.04955	1.4
85.06538	1.9
86.09673	1.3
88.03452	1.5
88.03979	12.3
91.05489	4.1
93.07037	3.1
95.08564	2.6
97.01083	0.8
105.07032	8.6
106.07819	1.7
107.08591	18.1
109.06483	1.2
109.10148	1.5
111.02660	1.4
114.51488	0.7
117.07063	1.0
119.04879	1.1
119.08601	3.9
120.01230	0.8
120.08121	1.0
121.10130	4.3
122.02671	1.2
123.08131	1.2
125.04211	3.9
126.03735	0.8
127.05773	1.5
127.60364	0.9
129.07024	1.6
131.08562	17.4
133.08607	0.8
133.10136	4.9
135.08041	2.9
135.11699	1.4
137.04268	0.9
139.05760	22.8
141.07291	2.3
143.08562	3.6
144.09335	1.3
145.10100	5.3
147.11691	5.3
149.09584	0.8
149.13242	3.5
151.05748	1.5
156.09340	1.9
157.10114	2.2
158.10933	6.8
159.11682	1.6
161.13226	0.9
163.05777	1.6
163.14789	1.7
165.07304	1.8
166.06903	1.8
167.05228	2.9
171.11674	3.7
172.12408	4.5
173.13261	32.5
175.14813	2.3
179.08864	0.9
181.10533	1.1
189.12819	1.3
191.14276	11.1
193.15909	0.9
205.10516	5.0
207.12027	13.7
211.07938	2.7
212.07372	1.3
214.08954	1.8
222.13330	1.0
223.11467	2.7
225.13043	14.7
228.10538	8.3
256.10007	2.7
277.12683	1.0
294.15167	12.7
295.13434	1.7
312.16251	100.0
313.16510	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	312.1302
Annotation	N,N-Dimethylguanosine
Peak:m/z	Relative Intensity
55.01855	0.4
56.96551	0.3
57.03424	0.6
69.03416	0.5
70.06590	0.3
71.06139	0.4
71.59177	0.3
71.59606	0.3
73.02906	0.5
79.05460	0.3
79.28837	0.3
85.02906	0.8
97.02866	0.5
99.18503	0.3
110.03522	3.5
115.07561	0.3
117.57867	0.3
120.08096	0.3
121.02887	0.5
128.04550	0.9
132.04475	0.3
133.04979	0.4
137.08203	2.2
138.05505	0.3
139.03918	0.4
153.01891	1.3
153.04099	1.9
158.99593	0.3
162.07744	0.7
165.06503	0.7
180.08797	100.0
181.09166	2.5
312.10818	0.4
312.16663	0.6
313.09097	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40894	0.2
53.03940	0.7
55.01876	0.2
57.03431	0.6
58.49410	0.2
61.02639	0.2
61.02904	1.1
67.13724	0.2
69.03426	1.7
69.88579	1.4
70.56325	0.2
70.57878	0.2
71.04992	1.4
73.02912	0.5
77.93690	0.2
81.03420	0.8
85.02896	7.2
87.04457	0.7
91.03973	0.4
97.02892	2.7
98.97552	0.3
99.04452	0.4
108.05604	0.5
109.02857	0.6
109.05161	0.4
115.03922	0.3
123.48536	0.2
127.03896	1.7
132.08109	1.1
133.05009	10.1
138.05487	0.9
145.04964	2.3
148.56711	0.2
150.07738	100.0
151.06107	0.3
151.08260	1.1
153.01732	0.2
163.06000	1.0
166.04666	0.2
190.38663	0.2
214.84137	0.2
230.59230	0.3
259.56262	0.2
261.83850	0.2
283.22723	0.2
312.12976	17.8
313.13153	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.2
55.01860	3.7
56.96556	4.7
57.03429	11.4
59.04971	1.5
61.02919	18.2
62.06068	1.6
62.19623	1.2
63.78021	1.1
69.03431	19.5
69.07061	1.7
70.06575	3.5
71.04983	19.4
71.59915	1.3
72.08157	1.9
73.02915	9.6
75.04441	1.7
76.07642	3.5
78.14082	1.2
81.03420	6.6
84.04457	1.1
85.02898	80.6
86.03212	1.8
86.09693	1.6
87.04450	6.6
91.03940	4.9
92.01283	1.5
94.06549	2.8
97.02881	30.4
98.97598	4.6
99.04433	3.7
105.05507	2.7
109.02888	7.2
110.01295	1.6
110.06036	2.0
115.03912	7.9
116.98615	5.0
119.01839	5.3
121.02799	2.6
123.04422	2.2
127.03900	24.3
128.02312	12.5
128.98598	2.5
133.04951	100.0
134.99663	3.8
137.02841	7.1
138.05489	81.1
139.05792	2.0
139.53119	1.6
145.03722	2.4
145.04944	39.5
146.02202	1.5
146.99661	4.2
150.07718	26.8
151.06027	2.9
151.07411	1.5
153.01828	3.1
158.99602	1.4
161.01120	1.8
161.02905	2.1
162.01822	2.3
163.06033	7.3
165.00732	2.0
167.07095	1.5
169.02550	2.4
169.31363	1.3
170.99736	1.4
171.02388	1.2
177.00844	2.7
177.02260	1.6
178.03102	2.7
180.08852	6.0
183.02357	3.6
189.00764	4.0
191.03935	3.3
192.02881	4.7
193.00197	1.6
194.67093	1.3
195.03336	1.2
200.04456	6.9
200.54518	1.6
204.02809	1.6
206.04439	2.3
207.01657	1.8
209.05467	1.2
213.03355	22.4
213.05312	1.4
213.53508	3.6
222.03923	13.3
222.05678	3.1
223.04228	1.9
225.00108	2.6
231.05138	3.3
233.54695	5.1
234.05132	1.7
237.02792	2.8
259.08282	1.6
276.96442	1.2
295.04541	1.4
295.10150	1.8
312.05280	1.6
312.10394	22.9
312.32712	1.8
313.07098	1.9
313.14185	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2941
Annotation	labd-13-en-8alpha-,15 diol
Peak:m/z	Relative Intensity
51.36210	1.2
53.03921	1.4
53.31418	1.3
55.05505	42.6
57.03429	3.3
57.07071	29.4
59.04974	2.0
64.17819	1.5
67.05502	40.9
69.03413	2.5
69.07064	80.1
70.07388	1.9
70.55235	2.5
70.55582	4.7
71.04959	4.2
71.08627	21.2
79.05490	20.4
81.07050	95.2
82.07369	3.6
83.04979	2.8
83.08142	2.7
83.08614	50.2
85.06540	15.4
85.10175	8.8
91.05463	3.4
93.07037	30.8
95.04956	2.9
95.08599	100.0
96.08921	4.0
97.06529	4.2
97.10161	31.5
99.08081	13.4
100.11242	1.8
105.07013	4.2
107.08588	25.6
109.06487	2.7
109.10147	61.4
109.12670	1.5
111.08080	3.8
111.11715	15.6
113.09647	2.7
119.06040	1.3
119.08559	2.8
121.10137	21.5
123.11697	26.6
124.88060	1.3
125.13249	5.5
133.10124	1.8
135.11679	19.0
137.05978	2.2
137.13239	10.7
139.11157	4.6
149.09579	1.8
149.13252	27.7
151.14857	8.8
163.14833	10.3
165.16360	2.5
171.13724	1.7
177.16376	6.9
179.17912	3.3
191.17976	3.0
193.19580	2.3
205.19543	4.7
219.21121	4.6
223.20575	7.0
275.27350	16.9
279.10434	1.5
293.21384	1.4
293.24915	2.6
293.28351	41.3
294.28748	1.8
311.13083	1.7
311.16357	1.8
311.23492	1.5
311.29413	34.3
312.29468	1.7
329.26239	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.1
55.01868	2.3
55.05510	43.0
56.96563	2.2
57.03432	5.6
57.07072	45.7
59.04984	4.4
60.48807	2.1
65.03943	1.9
67.05499	40.7
69.03419	4.6
69.07063	91.6
69.77254	5.8
69.77685	7.3
71.04977	7.1
71.08633	19.2
74.31746	2.0
79.05493	14.0
81.07053	100.0
83.03345	2.2
83.04974	3.8
83.08141	3.5
83.08617	50.4
84.76679	1.8
85.06526	7.0
85.10186	9.7
91.05467	8.3
93.07038	41.0
95.04964	4.1
95.08600	99.5
97.06519	9.0
97.10158	35.7
98.20782	3.5
99.08082	3.1
105.07007	5.9
107.08588	33.8
109.02885	2.5
109.06546	2.2
109.09467	3.5
109.10159	50.3
111.04431	6.9
111.08089	8.7
111.11703	23.6
119.08613	3.2
121.10131	23.8
123.11697	29.4
125.13252	7.5
131.08566	3.6
133.10063	2.8
135.08125	1.8
135.11697	18.0
137.13240	8.7
139.14780	2.0
145.10135	3.2
149.13257	36.7
151.14809	4.2
153.05437	7.3
155.08443	2.2
159.11734	3.3
161.09558	3.1
163.14790	12.8
165.16403	4.8
169.10178	1.9
170.43282	2.2
170.99203	2.1
177.16298	2.8
179.17870	2.3
185.09622	2.0
191.00340	2.3
191.10576	3.2
193.19569	3.3
197.09615	2.2
205.19531	3.7
207.11772	2.4
208.08795	2.2
209.11673	25.3
209.13399	3.0
219.21017	4.1
223.11047	1.9
235.11256	2.5
237.11166	21.9
255.12253	5.5
265.15652	2.1
275.27350	12.3
293.28375	9.7
311.16315	16.7
311.19467	3.3
311.25787	12.6
311.29486	9.7
312.12479	4.5
312.16232	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2943
Annotation	Phytenic acid
Peak:m/z	Relative Intensity
52.64177	0.9
53.03938	2.4
55.01870	1.3
55.05507	32.7
57.03440	1.4
57.06823	1.8
57.07077	18.5
63.76327	1.0
67.05504	32.5
69.03417	2.2
69.07066	65.5
71.05000	1.3
71.08633	8.3
71.34013	1.9
79.05488	12.3
81.03410	1.9
81.07053	100.0
82.07368	2.2
83.04946	1.2
83.08612	38.7
85.02882	2.1
85.06537	18.8
85.10185	3.3
91.05473	4.1
93.07047	18.1
95.04964	1.3
95.08602	98.4
96.08936	1.1
97.02934	1.4
97.06546	3.0
97.10164	23.4
99.08085	12.7
105.07012	3.0
107.08588	16.9
109.06506	1.1
109.10150	56.9
110.10502	1.3
111.08062	4.4
111.11709	15.8
113.09672	2.9
119.08575	2.3
121.06551	1.1
121.10139	13.7
123.04422	1.1
123.11705	30.6
125.09602	1.6
125.13239	6.8
127.11184	1.9
133.10120	1.8
135.11710	9.2
137.05972	2.6
137.13243	16.4
139.11194	2.1
139.14859	1.5
143.14323	1.6
145.10129	1.5
147.04373	1.2
149.09674	1.9
149.13258	14.8
151.14806	12.0
153.12729	1.3
157.10074	1.4
157.15831	1.1
159.08061	1.4
163.14850	6.0
165.16368	4.8
177.16351	3.3
179.17911	3.1
182.00322	1.2
191.17940	1.9
193.19513	1.8
197.18999	1.3
205.19508	2.1
219.07964	1.3
219.21004	2.2
249.25850	1.9
251.10599	1.4
275.27301	6.5
278.01212	1.1
279.10068	1.9
281.28387	4.0
293.28378	10.2
299.61215	1.1
311.12918	1.9
311.16321	4.2
311.29459	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	311.2942
Annotation	Phytenic acid
Peak:m/z	Relative Intensity
52.39197	1.4
53.43435	1.4
53.45328	1.7
55.01877	1.8
55.05509	26.5
57.07078	16.9
67.05505	31.4
68.63570	1.7
69.03410	2.0
69.07066	63.3
70.00605	3.5
70.01003	8.2
71.08627	7.9
71.91110	1.7
74.41654	1.5
77.34055	1.6
78.43215	1.6
79.05492	13.0
81.03426	2.7
81.07054	100.0
82.07359	1.9
83.08618	37.0
83.40457	1.4
85.02890	2.0
85.06550	21.8
85.10168	2.5
89.62553	1.6
91.05471	5.9
93.07034	20.3
95.05005	3.1
95.08601	91.7
97.02888	1.7
97.10171	20.6
98.21407	2.5
99.08073	12.3
99.39409	2.0
105.07028	4.2
107.08567	15.0
109.06532	2.1
109.10153	56.7
111.08077	3.4
111.11719	16.7
113.09693	3.0
119.08560	2.5
121.10143	15.5
123.11699	31.3
125.13272	6.3
129.07945	1.6
131.08595	2.5
131.48260	1.8
133.10133	1.9
135.11638	8.7
137.05988	3.9
137.13248	14.6
143.08603	2.2
145.10135	3.2
149.09599	2.7
149.13252	16.0
151.14825	12.6
153.01894	3.0
163.14786	8.6
165.16380	5.0
177.16310	2.2
179.17989	3.9
191.18039	1.9
193.19565	2.7
195.11604	1.7
208.08566	1.7
244.63638	1.9
251.10602	3.2
275.27359	7.8
281.28415	2.4
293.20941	1.9
293.28406	10.9
311.09235	2.9
311.12680	3.6
311.16388	6.0
311.29456	32.1
312.16620	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2577
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03927	1.4
55.01861	0.9
55.05507	45.2
56.05829	0.9
57.03433	18.5
57.07071	21.2
58.07368	0.6
59.04984	0.8
67.05502	6.7
69.07062	51.7
69.47673	4.5
70.07383	0.6
71.08628	12.6
73.02901	1.0
73.06532	0.6
79.05495	3.7
81.07046	8.3
83.04935	0.8
83.08612	40.5
84.08911	0.5
85.06519	0.5
85.10171	4.5
91.05442	0.6
93.07027	5.4
95.08604	6.7
97.06530	4.6
97.10163	29.7
98.10478	0.6
107.08581	3.8
109.10151	2.9
111.08057	1.8
111.11710	8.6
121.10114	4.4
122.73778	0.4
123.11680	1.5
125.09646	1.4
125.13253	2.1
135.11703	4.2
137.13239	0.9
139.11110	0.9
139.14763	0.5
149.13248	2.3
163.14824	1.1
209.11703	0.9
219.21037	1.4
226.69859	0.5
237.11166	1.4
237.22034	1.0
311.16290	1.6
311.25781	100.0
312.26102	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
55.01842	2.9
55.05511	45.4
56.96565	2.8
57.06823	2.8
57.07074	37.1
58.65907	2.0
59.05003	2.9
60.04502	5.9
65.03933	2.5
67.05504	54.5
67.79753	2.4
69.03415	8.8
69.07063	85.5
70.07404	2.3
71.04970	6.4
71.08634	25.4
71.59160	2.7
79.05491	38.7
81.03406	5.3
81.07050	94.6
82.07414	2.6
83.04981	12.3
83.08617	64.9
85.02894	4.9
85.06519	4.2
85.10178	14.6
91.05475	14.2
93.07035	59.2
95.04949	9.7
95.08600	100.0
96.08909	2.8
97.06510	8.8
97.10167	48.3
99.04468	3.3
99.08065	3.9
101.06004	8.6
105.03377	5.7
105.07024	12.9
107.04949	4.5
107.08588	42.6
109.02862	4.8
109.06493	8.6
109.10149	79.3
111.08055	2.9
111.11709	24.0
115.07538	3.9
117.06992	5.1
119.08564	10.4
121.06469	3.6
121.10127	42.4
123.11710	33.4
125.09612	8.3
125.13258	7.0
129.07002	3.9
131.08575	5.8
133.02843	2.9
133.06506	3.1
133.10114	8.6
135.11678	39.4
137.05969	15.4
137.13281	13.7
139.11163	6.3
142.07768	3.3
143.08528	6.6
145.06450	3.2
145.10155	6.1
147.08066	4.3
147.11649	4.2
149.09602	10.5
149.13261	27.5
151.14832	7.9
155.08476	3.1
159.08026	4.4
159.11656	4.7
161.05978	3.9
161.09659	2.9
163.14790	10.0
165.05531	3.0
165.16415	5.8
169.10126	6.9
173.09674	3.3
175.07597	3.4
177.16473	5.4
179.17973	5.0
181.10075	4.6
183.11607	3.1
185.09682	3.2
187.07411	4.3
191.08537	5.5
192.09222	2.5
193.19470	2.7
195.08099	3.1
195.11649	5.8
197.13365	3.2
199.11107	3.4
200.18771	3.1
201.12820	3.1
205.19478	3.4
209.09593	2.7
209.13292	3.3
219.08046	6.2
220.08820	2.7
223.11182	4.5
225.12759	3.3
235.11105	3.9
247.07614	3.0
251.10583	8.1
251.14468	3.1
253.12253	3.1
265.15875	5.7
272.90829	2.3
275.20081	4.8
275.27307	22.6
279.10046	7.9
283.17004	3.8
293.15256	5.5
293.21307	4.3
293.28287	10.2
296.10779	2.3
311.12674	14.1
311.16306	30.9
311.20065	5.9
311.23688	5.1
311.29401	28.7
312.12469	3.9
312.16415	5.4
312.25320	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	311.2577
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
50.83073	0.4
51.78456	0.4
52.90070	0.5
53.03926	1.2
55.01865	1.0
55.05507	34.3
57.03156	0.7
57.03434	14.1
57.07073	16.5
59.04999	0.8
67.05504	6.0
69.03413	0.7
69.07063	40.3
69.97928	2.6
70.07376	0.8
71.08628	11.5
73.02911	0.6
73.06544	0.6
79.05491	4.1
81.07050	8.0
83.04958	1.3
83.08613	36.3
85.06476	0.6
85.10175	3.9
91.05450	1.0
93.07029	5.7
95.08598	6.0
97.06506	3.7
97.10162	23.1
98.10443	0.8
105.07035	0.5
107.08598	3.7
109.10162	3.1
111.04454	0.9
111.08094	2.5
111.11709	8.2
121.10138	5.6
123.11703	1.3
125.09611	1.4
125.13229	2.4
129.09076	0.5
135.04390	0.6
135.11702	3.9
137.13232	0.7
139.11127	0.8
139.14787	0.5
149.13235	2.0
153.05560	0.6
153.12701	0.6
163.14819	1.2
165.06923	0.5
177.16316	0.9
181.15913	0.5
209.11685	3.2
211.11177	0.6
219.21049	1.3
237.11238	3.4
237.22096	0.8
255.12251	1.1
311.16351	3.1
311.25781	100.0
312.12289	0.7
312.26132	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	311.2213
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03860	0.5
53.04068	0.3
53.70642	0.3
53.76745	0.2
55.01761	3.3
55.02057	1.0
55.05391	5.5
55.05692	2.5
57.03332	0.6
57.03585	0.3
57.06955	20.4
57.07461	0.8
58.07316	0.5
67.05371	5.0
67.05778	1.3
68.99663	1.2
69.03294	1.1
69.06934	2.9
69.07344	0.8
70.06465	0.8
71.01228	1.0
71.04856	1.2
71.08507	1.0
71.60568	0.4
73.02810	0.3
73.53211	0.2
79.05357	5.9
79.05862	0.9
81.03277	1.8
81.03786	0.5
81.06915	4.8
81.07440	0.7
83.04839	9.4
83.05395	1.4
83.08478	4.9
83.09025	0.7
85.02769	1.0
85.06447	0.5
88.07526	0.6
91.05337	3.0
93.03335	0.4
93.06902	6.1
93.07536	0.6
95.04827	11.0
95.05495	1.1
95.08457	3.0
97.02759	0.7
97.06392	2.8
97.10030	3.9
97.10706	0.4
99.04308	1.3
99.07969	0.4
101.02248	0.8
102.09099	0.5
105.06884	3.5
107.04814	4.5
107.08448	8.1
107.09236	0.5
109.02733	4.1
109.06490	1.8
109.10007	2.2
111.04430	23.9
111.05135	1.5
111.07932	2.9
112.04671	0.5
115.46902	0.3
117.07005	1.3
119.08574	3.3
121.06490	1.4
121.10137	4.8
123.07917	1.4
123.11569	0.8
125.02271	0.4
125.05980	6.9
125.09614	4.2
127.07462	0.6
129.05399	0.5
129.06833	0.8
131.08565	2.5
131.55670	0.3
133.06433	0.3
133.10124	2.3
135.04399	3.0
135.08006	1.3
135.11682	2.7
137.05891	0.4
137.09474	0.8
139.03751	0.4
139.07449	0.6
139.11047	0.6
141.08977	1.0
143.08482	0.6
143.10577	0.5
145.06404	0.5
145.10110	4.8
147.07913	1.0
147.11658	1.8
149.02318	3.1
149.09605	8.4
149.13155	0.4
151.07458	0.7
151.10994	0.3
153.05447	18.0
153.08977	0.8
153.12700	1.4
154.05746	0.6
157.10074	0.6
159.11684	1.6
161.09523	0.5
161.13081	0.3
163.03889	1.5
163.11168	9.5
164.11397	0.3
165.09000	0.9
167.10556	0.5
169.10048	0.5
171.10081	0.5
171.11577	0.4
173.09535	0.9
173.11647	0.4
173.13106	0.4
174.18362	0.3
175.07458	0.9
177.09102	0.6
177.12630	0.8
181.04922	4.0
181.12212	8.6
183.11653	0.5
187.11134	0.9
189.11189	5.1
191.10652	13.3
192.10974	0.6
193.04938	5.9
193.08554	1.4
193.12199	0.3
194.05255	0.4
195.08029	0.3
195.10068	0.6
196.62454	1.3
197.09508	0.3
197.12810	0.8
200.20175	0.7
203.06917	0.5
205.12138	0.9
209.11707	100.0
210.10147	0.5
210.12022	5.1
211.13295	0.4
219.10072	1.4
223.13257	13.8
224.65659	1.4
225.12735	0.3
227.12846	0.8
229.19472	0.4
237.11189	83.4
238.11580	2.9
239.17938	0.4
247.20534	0.5
255.12247	23.5
256.12711	0.9
256.26480	0.8
257.18951	1.7
265.18021	0.8
275.20029	14.8
276.20416	0.4
280.11902	0.4
293.17615	9.3
293.21240	18.2
294.21805	0.4
311.18701	7.2
311.24771	13.0
311.74701	4.2
312.12543	0.6
312.18973	0.5
313.65652	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1641
Annotation	Myricarborin
Peak:m/z	Relative Intensity
53.03941	0.7
55.01878	0.9
55.05499	1.6
57.07057	1.3
59.05000	30.9
67.05485	1.9
69.03426	5.9
69.07070	0.9
69.47105	0.6
69.62711	3.7
69.63114	0.9
73.15623	0.6
78.39402	0.6
79.05507	1.5
81.07046	1.0
83.01344	1.7
83.04962	0.9
83.08610	0.6
91.05479	1.9
93.07030	1.4
95.04979	4.5
95.08592	1.9
97.02884	0.5
105.07030	3.0
107.04980	0.6
107.08562	1.7
109.02909	0.9
109.06502	1.0
117.07046	1.1
119.08564	2.8
121.06522	1.4
121.10089	0.6
123.08058	1.7
123.29989	0.5
128.06242	0.9
129.07001	1.7
131.08522	1.2
135.04359	1.2
135.08064	0.8
137.05962	2.1
141.06978	1.2
142.07751	2.1
143.08575	3.4
145.10121	2.4
147.08076	0.9
147.11674	0.7
152.06200	0.7
153.06961	1.4
154.07802	1.0
155.08556	7.8
156.09306	1.5
157.10127	2.5
159.08041	1.6
159.11732	1.0
161.06033	0.8
161.09625	1.6
164.98045	0.6
165.06973	3.5
166.07793	1.6
167.08588	4.1
168.09303	1.1
169.10062	4.7
170.10922	1.4
171.11728	0.7
171.87561	0.7
173.09612	1.4
178.07755	1.6
179.08533	3.9
180.09358	2.1
181.06485	0.9
181.10106	5.5
182.10907	1.6
183.08046	0.6
183.11700	4.8
185.09592	3.3
186.10410	0.5
190.07867	0.7
191.08568	2.2
192.09378	8.3
193.10141	5.8
194.10858	1.5
195.08020	3.8
195.11710	6.3
196.08820	2.0
196.12468	1.7
197.09628	2.0
197.13226	5.1
199.11185	1.7
202.07762	0.8
203.08609	1.8
204.09384	0.8
205.10101	2.4
206.10942	1.7
207.08180	1.2
207.11679	12.6
208.08879	1.8
208.12450	1.3
209.09569	4.4
209.11658	1.8
209.13298	2.0
210.10312	3.8
211.11145	2.6
213.09203	0.6
213.12695	1.2
217.10205	3.3
217.52383	0.6
219.08095	1.5
219.11668	1.6
220.08867	1.8
221.09602	2.1
221.13255	1.7
222.10387	2.3
222.13994	1.4
223.11179	5.1
223.14719	3.3
224.11975	0.9
225.12746	4.3
231.11717	0.9
232.12482	2.6
233.09589	1.7
233.13222	1.0
234.10442	1.0
235.11165	11.8
235.14871	1.5
236.11925	1.9
237.09111	1.3
237.12766	2.3
237.16394	1.6
238.09943	1.9
239.10793	1.6
239.14291	0.6
243.13792	0.9
245.09621	1.7
247.11200	1.0
247.14821	3.4
248.11938	0.9
249.12721	3.0
250.10004	0.6
250.13475	3.4
251.10692	2.3
251.14281	1.9
252.11615	0.9
253.12222	1.9
253.15813	0.7
260.11932	2.2
263.10666	1.5
263.14365	1.6
265.12271	3.7
265.15884	7.8
271.13336	6.7
275.14297	2.1
278.13007	1.3
280.14615	0.8
281.15363	2.7
283.16910	4.7
293.15286	9.5
311.16409	100.0
312.16708	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1639
Annotation	Myricarborin
Peak:m/z	Relative Intensity
53.03936	1.0
55.01859	1.0
55.05500	1.4
57.07073	3.3
59.04705	1.0
59.04998	19.6
65.85316	0.4
67.05489	1.9
69.03423	5.9
69.07053	2.0
69.52568	4.0
71.04982	0.9
79.05492	2.5
79.12057	0.5
81.07040	1.9
83.01312	1.2
83.04967	2.1
83.08588	0.8
85.34036	0.5
91.05484	3.0
93.07038	2.2
95.04958	1.4
95.08595	1.5
105.07018	3.5
107.04946	0.9
107.08581	1.7
109.02857	1.8
109.06498	1.0
111.04446	1.8
115.05429	1.0
117.06997	1.4
119.08564	1.9
121.06488	1.6
121.10143	1.1
123.04429	0.5
125.05968	1.0
128.06212	1.9
129.06985	2.1
131.08571	2.2
133.06462	1.1
133.10130	1.2
135.08031	1.6
137.05989	1.7
141.06976	2.0
142.07718	1.7
143.08577	3.8
145.06476	1.6
145.10126	3.5
147.08031	1.1
149.05983	0.8
149.09578	1.3
150.77124	0.5
151.07564	0.7
153.05472	1.9
153.06963	1.8
154.07780	1.3
155.08545	5.8
156.09358	2.3
157.10127	3.9
158.07266	0.7
159.08064	3.3
159.11653	1.3
161.05995	1.3
161.09593	1.4
163.11134	0.6
165.06993	3.7
166.07747	2.0
167.08585	3.9
168.09348	1.3
169.10088	4.1
170.10864	1.8
171.08038	2.1
171.11667	1.4
172.08815	0.6
173.09619	2.1
173.13258	1.0
175.07486	0.5
177.09164	0.6
178.07770	2.2
179.08524	4.4
180.09393	2.6
181.06575	0.7
181.10095	5.1
181.12015	0.9
182.07285	0.8
182.10880	1.7
183.08066	1.4
183.11711	3.9
185.09619	2.2
185.13257	1.3
186.10233	0.8
187.11200	1.0
191.08554	2.0
191.10646	1.4
192.09340	8.1
193.04968	0.5
193.10123	5.4
194.10938	2.2
195.08031	4.1
195.11694	8.4
196.08746	1.0
196.12422	1.2
197.09595	2.0
197.13206	3.4
198.10347	0.6
199.11229	1.8
201.12712	1.1
202.07787	0.8
203.08592	1.3
204.09297	0.7
205.06522	0.7
205.10136	2.0
206.10864	1.3
207.08055	0.7
207.11678	13.0
208.08795	2.2
208.12437	1.4
209.09599	5.4
209.11722	8.6
209.13297	0.8
210.10352	3.3
211.11208	3.8
212.11913	0.6
213.12772	1.7
215.10632	0.7
216.09579	0.7
217.08162	0.7
217.10126	3.8
217.12143	0.8
218.10901	1.2
219.08102	0.9
219.11720	1.6
220.08882	1.4
220.12384	1.1
221.09621	3.3
221.13284	1.7
222.10419	2.6
222.14043	2.0
223.11197	7.1
223.14659	3.2
224.11946	1.1
225.09102	0.8
225.12729	4.1
231.11652	1.0
232.12500	1.9
233.09535	1.7
233.13208	1.0
234.10382	0.8
235.11157	10.5
235.14810	1.0
236.08336	0.6
236.11929	1.6
237.08960	1.0
237.11189	7.6
237.13142	1.2
237.16391	2.0
238.09868	1.1
239.10577	0.8
239.14288	1.0
240.11397	0.7
241.12076	0.6
241.15881	0.6
243.10101	1.2
243.13875	0.8
245.09619	1.6
247.11169	1.2
247.14915	2.9
248.11913	0.9
249.12776	2.1
250.09831	0.7
250.13495	3.8
251.10568	2.5
251.14308	4.4
253.12202	2.0
253.15784	0.7
255.12332	2.1
255.17511	1.0
257.13229	0.7
259.11255	0.6
260.11932	1.9
263.10635	1.5
263.14273	1.4
265.12268	3.4
265.15875	10.5
271.13306	4.4
275.14359	3.0
275.76468	0.6
278.12961	1.8
280.14621	0.5
281.15323	2.1
283.16943	5.1
293.15314	15.3
311.16382	100.0
312.12360	0.6
312.16678	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	311.164
Annotation	Picealactone A
Peak:m/z	Relative Intensity
55.01862	5.2
55.05498	6.1
55.37163	2.6
57.07067	3.6
67.05501	5.5
69.03427	24.1
69.07072	4.6
69.90427	6.9
69.90843	10.5
72.04514	28.9
73.04858	4.3
77.14743	2.6
79.05481	10.3
81.07056	11.2
83.05006	2.8
83.08642	3.8
83.40108	2.5
85.66404	2.5
86.58925	2.7
91.05460	14.8
92.91566	2.4
93.07069	6.0
95.04969	9.1
95.08594	9.8
98.21498	3.0
102.69640	2.5
105.07013	12.7
107.08595	5.7
109.06505	9.7
115.05451	3.4
117.07008	8.2
119.08608	16.0
121.06512	7.8
121.10134	4.5
123.08151	3.8
126.15997	3.0
128.06166	3.9
129.06995	5.7
131.08566	11.5
133.06535	3.0
133.10121	4.4
135.08054	6.9
142.07800	4.4
143.08583	7.6
145.06467	6.1
145.10109	4.8
147.08029	5.5
151.07455	3.8
155.08553	4.9
157.10138	6.9
159.08054	24.2
159.11668	5.6
161.09625	13.6
163.07544	3.3
169.10091	4.7
171.11713	4.1
173.09593	5.3
175.07486	4.5
179.08510	5.3
182.43372	2.9
183.08006	4.1
185.09633	6.1
187.11159	5.9
193.10147	3.7
194.10941	3.3
195.08064	6.1
195.11856	6.2
196.08821	5.3
197.09587	14.1
197.13187	3.1
199.11221	6.2
203.10674	9.3
209.09604	8.1
209.11560	6.2
209.13393	3.7
210.10345	4.0
211.11153	7.8
213.12781	3.4
215.10863	3.7
217.10153	5.4
221.09764	3.8
222.14017	3.2
223.11211	9.2
225.12770	7.3
226.13420	2.9
235.11275	5.3
236.11928	3.9
237.10971	4.3
247.14961	4.2
253.12331	2.9
260.12070	4.1
265.15842	15.5
275.14325	6.0
281.15247	4.5
283.16901	8.2
293.15347	13.5
310.31039	3.6
311.05112	4.2
311.16425	100.0
311.23715	3.9
311.27353	7.2
311.31354	30.0
312.12354	8.0
312.15851	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	311.1639
Annotation	Picealactone A
Peak:m/z	Relative Intensity
53.03933	1.9
55.05492	2.0
57.03400	2.0
59.04989	3.5
67.05479	4.7
69.03144	1.4
69.03429	17.7
69.07076	1.9
79.05485	4.0
81.07027	3.9
83.04974	3.0
91.05472	14.0
93.07034	4.6
95.04968	9.1
95.08597	4.5
105.06996	7.1
107.04964	1.9
107.08574	5.5
109.06497	5.0
115.05423	2.8
117.07022	4.5
119.08573	12.1
121.06485	5.8
121.10072	1.9
123.04437	1.5
123.08043	3.5
128.06201	4.9
129.06989	5.4
130.07716	1.8
131.08537	6.2
133.06482	3.4
133.10071	3.6
135.04434	2.3
135.08058	5.9
136.60191	1.4
141.06949	1.9
142.07771	2.1
143.08548	8.0
145.06467	4.7
145.10106	4.7
147.08067	8.7
149.09555	1.7
151.07501	2.4
153.06897	1.8
155.08542	5.8
156.09338	3.2
157.10104	5.2
159.08061	17.5
159.11708	2.5
161.09578	14.3
163.07497	3.4
165.06996	4.4
166.07776	2.1
166.85115	1.7
167.08524	2.9
168.09319	2.7
169.10129	5.1
171.08023	5.3
171.11670	2.9
173.09615	4.8
175.07538	2.5
179.08545	5.6
181.10139	3.5
183.11687	2.5
185.09618	4.7
187.11180	6.6
189.09134	2.9
192.09360	3.3
193.10109	5.1
194.10912	1.8
195.08043	4.2
195.11690	5.5
197.09589	9.7
197.13184	2.3
199.11243	6.1
203.08665	2.5
203.10652	7.2
205.10268	1.9
207.11694	7.8
208.08853	2.7
209.09593	6.4
209.11700	4.6
209.13434	1.9
210.10335	2.4
211.11249	4.2
213.12743	2.4
215.10648	4.4
217.10237	3.2
220.83052	1.7
221.09546	2.3
223.11145	5.7
223.14769	2.0
224.11823	2.4
225.12703	6.6
227.10793	1.7
229.37018	1.6
233.13255	2.2
235.11176	5.9
236.11984	2.4
237.10878	2.8
237.13017	2.5
237.16190	2.3
241.12218	2.6
247.14842	3.4
249.12708	1.6
250.13448	2.5
251.10733	3.4
251.14293	3.0
253.12160	5.8
255.17365	2.0
260.11844	3.2
263.10641	2.7
265.15857	11.4
269.11685	6.8
269.15585	1.8
275.14288	3.2
278.13245	1.9
281.15482	2.3
283.16824	3.0
293.15289	13.9
311.13086	5.1
311.16379	100.0
311.27505	2.7
311.31259	1.9
312.16635	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	311.1639
Annotation	Myricarborin
Peak:m/z	Relative Intensity
53.03925	1.6
55.01848	0.7
55.05500	1.7
57.88965	0.5
59.04708	0.7
59.04997	14.4
67.05490	2.2
69.03422	7.0
69.07059	1.6
69.58202	4.2
71.04993	0.7
75.30476	0.6
79.01841	0.7
79.05480	3.4
81.03400	1.0
81.07049	1.4
83.01316	1.7
83.04975	4.3
85.02888	1.2
91.05484	4.9
93.07040	3.4
95.04975	1.5
95.08591	1.5
97.02889	0.8
98.97573	0.7
103.05535	0.8
105.07021	5.0
107.04962	1.2
107.08557	2.1
109.02878	1.9
109.06491	1.4
115.05460	1.2
116.98602	0.7
117.07017	1.3
119.08559	2.5
121.06468	2.5
121.10156	2.9
123.04391	0.8
125.05925	0.6
128.06233	1.6
129.07002	3.2
130.07790	0.7
131.04860	0.8
131.08560	2.8
133.06502	1.9
133.10110	1.2
135.08034	2.3
137.05974	5.6
137.09615	1.2
139.03864	0.6
141.06973	3.0
142.07745	2.6
143.08553	5.7
145.06454	2.4
145.10147	3.6
146.38643	0.5
147.08055	1.8
147.11671	0.8
149.09605	2.6
153.01822	7.8
153.06973	2.2
154.07733	1.4
155.08530	7.4
156.09317	2.4
157.06505	1.2
157.10097	4.0
158.07237	1.1
159.08051	5.0
159.11713	1.7
161.05948	2.0
161.09564	1.7
163.07565	0.8
165.06970	5.7
166.07771	1.9
167.08546	4.0
168.09329	1.2
169.06436	0.8
169.10132	5.1
170.10918	3.0
171.08037	2.6
171.11656	3.2
172.08786	0.9
173.09595	2.4
175.07584	0.9
177.09074	0.6
178.07797	2.5
179.08510	4.5
180.09338	2.9
181.06459	0.9
181.08612	1.0
181.10109	6.7
182.10849	1.8
183.08026	2.4
183.11711	5.0
185.09546	2.9
186.10410	1.6
187.11180	1.2
189.09062	0.7
190.07739	0.8
191.08495	2.6
192.09311	5.9
193.10091	6.5
194.10919	2.0
195.08038	3.8
195.11664	8.9
196.08832	1.3
196.12230	1.1
197.09647	2.8
197.13284	3.5
198.10394	0.9
199.11214	3.3
201.09125	0.6
201.12704	1.3
202.07709	1.0
203.08571	1.0
204.09334	1.6
205.10088	3.0
206.10866	2.2
207.08034	0.8
207.11661	11.8
208.08780	2.7
208.12376	2.1
209.09612	7.0
209.13248	2.1
210.10400	2.9
211.11092	4.0
213.12642	2.9
216.03107	0.8
217.10129	4.2
217.12047	1.1
218.10826	1.4
219.08073	1.3
219.11671	1.9
220.08788	1.9
220.12344	1.3
221.09558	3.8
221.13194	1.4
222.10435	2.7
222.14023	1.7
223.11160	8.3
223.14738	3.9
224.11874	1.8
225.09061	1.2
225.12686	4.6
227.10675	0.8
231.11670	0.8
232.12387	2.8
233.09584	2.4
233.13225	1.2
234.10408	1.4
235.11174	12.5
235.14725	1.2
236.11946	3.4
237.09030	1.9
237.12772	4.2
237.16391	2.3
238.09840	1.7
238.13545	0.9
239.10643	1.6
239.14369	1.3
240.11499	0.7
241.12123	1.6
241.15935	0.7
243.10016	0.9
243.13950	0.8
245.09589	1.5
246.10498	0.8
247.11203	1.2
247.14828	3.6
248.12129	0.9
249.09018	0.8
249.12718	3.8
250.13478	4.2
251.10655	5.1
251.14275	5.5
253.12183	3.1
254.13115	0.7
255.17410	0.7
257.13156	0.8
259.01282	0.8
260.11938	3.3
263.10672	2.2
263.14285	2.1
265.12183	3.9
265.15845	12.3
267.13797	1.1
268.14493	0.8
269.11563	0.9
269.15384	1.5
271.13327	3.0
275.14355	3.6
278.13065	2.8
279.13223	0.6
280.14951	0.7
281.12000	0.7
281.15375	2.3
283.12125	0.8
283.16965	5.7
290.09055	1.0
293.15363	19.8
299.09616	1.8
299.59836	0.9
311.16385	100.0
312.16714	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	311.1638
Annotation	Picealactone A
Peak:m/z	Relative Intensity
53.03942	1.0
55.01860	1.4
55.05497	2.0
57.03436	3.3
57.07056	0.6
65.03922	1.3
67.05496	4.7
69.03075	1.2
69.03427	13.3
69.07055	1.4
71.04988	1.2
71.10377	1.1
76.92125	0.6
79.05488	6.9
79.16851	0.6
79.70821	0.5
81.03407	1.0
81.07071	3.4
83.04971	2.7
85.02881	0.7
88.47638	0.6
91.05476	19.0
91.46014	0.6
92.05801	0.5
93.07034	7.5
95.04965	13.8
95.08600	3.2
96.09083	0.6
97.06513	1.5
98.97584	1.0
103.05432	1.1
105.07017	11.0
107.04942	2.4
107.08582	5.0
109.06505	8.3
109.10140	0.8
111.08067	1.5
115.05464	2.0
116.06232	1.1
117.07002	7.8
119.04937	0.5
119.08573	19.1
121.06496	6.4
121.10120	2.7
123.04403	1.8
123.08064	4.9
128.06200	5.3
129.06981	4.2
130.07767	1.1
131.04851	1.1
131.08574	8.1
132.05685	0.9
133.06479	3.6
133.10133	5.2
135.04385	0.8
135.08038	8.2
137.04179	0.7
137.05959	1.0
139.07538	1.0
141.06932	3.8
142.07750	2.9
143.08548	10.8
144.05653	1.2
145.06482	5.5
145.10110	5.0
146.07246	2.6
147.08006	8.6
147.11684	2.8
149.05952	0.8
149.09608	2.7
151.07518	3.3
152.06284	0.7
153.01802	2.2
153.07004	1.9
154.02092	0.7
154.07748	1.2
155.08527	4.1
156.09322	2.5
157.06490	1.2
157.10120	4.3
158.07251	2.0
159.08049	26.7
159.11691	1.7
160.08791	1.9
161.05968	1.1
161.09612	13.8
163.07542	3.5
163.11211	0.7
165.06955	2.9
165.09132	0.7
166.07791	1.6
167.08553	3.1
168.09341	1.2
169.06450	1.0
169.10103	3.4
171.08020	4.1
171.11632	3.2
172.08781	1.5
173.09573	4.9
175.07530	2.6
175.11224	1.5
177.09254	0.8
178.07745	1.2
179.08548	5.4
180.09276	2.7
181.06400	0.9
181.10133	5.0
182.07365	1.1
182.10864	0.9
183.08057	2.1
183.11684	2.4
184.08879	1.1
185.09622	5.4
185.13145	1.0
186.10362	0.8
187.07530	0.8
187.11151	6.4
188.11641	0.8
189.09134	1.8
191.08630	0.9
191.10677	0.7
192.09303	1.9
192.64394	0.6
193.10130	4.0
194.10876	3.0
195.08055	2.4
195.11638	4.9
196.08844	1.1
197.09610	6.3
197.13280	1.4
198.10349	0.7
199.07501	1.3
199.11118	5.1
201.09126	1.3
201.12727	2.7
203.08781	1.3
203.10597	7.1
204.09297	1.0
205.10089	1.5
206.10947	1.2
207.08029	1.1
207.11668	4.3
208.08810	1.9
208.12424	1.6
209.09567	5.2
209.13185	3.2
210.10381	2.7
211.11182	3.7
212.12003	0.9
213.09142	0.9
213.12761	3.3
215.10701	4.3
217.10190	3.1
219.08086	1.0
219.11746	1.4
220.08752	1.5
221.09578	2.4
221.13231	1.1
222.10379	1.7
223.11177	5.0
223.14716	1.9
224.11928	1.5
225.12700	4.7
227.10681	1.2
227.14333	1.5
232.12411	1.1
233.09601	1.3
233.13274	1.1
235.11124	5.5
236.11903	2.4
237.12817	3.8
237.16406	1.5
241.12218	2.1
241.15878	1.1
245.09615	1.6
246.10507	0.7
247.14851	2.1
249.09198	1.3
249.12660	1.5
250.13522	2.4
251.10765	1.8
251.14328	2.3
253.12233	4.3
255.13676	3.0
255.17545	0.7
259.01395	1.3
260.11969	2.2
263.00656	0.9
263.10739	1.9
263.14270	1.1
264.11365	1.2
265.15866	6.9
267.13907	0.9
269.11807	1.2
269.15265	2.1
275.14313	3.0
278.12967	2.6
281.15121	1.2
283.16898	6.1
293.15350	13.4
311.16403	100.0
312.16788	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1637
Annotation	Nafenopin
Peak:m/z	Relative Intensity
53.03924	2.8
55.01870	4.0
55.05500	3.5
57.03430	3.8
57.07053	10.2
67.05498	11.4
69.03438	14.4
69.07060	6.1
71.08633	2.6
71.59405	3.0
71.96955	2.5
75.36853	2.2
78.55643	2.2
79.05472	8.1
81.03378	2.7
81.07054	11.7
83.04966	5.0
87.49711	2.3
91.05471	18.1
93.07015	10.8
95.04971	11.5
95.08572	8.9
97.06515	4.7
103.05463	2.2
105.07021	16.8
107.04951	2.9
107.08566	10.1
109.06496	8.9
109.10126	4.8
111.04420	7.4
111.08064	2.9
111.83154	2.6
117.07014	8.9
119.08578	16.0
121.06488	5.6
121.10101	4.5
123.08035	2.7
125.00030	3.0
125.05983	2.9
127.57975	2.5
128.06201	5.6
129.06973	4.7
131.08533	6.8
133.10091	8.4
135.08012	6.5
141.06940	4.6
142.07718	4.8
143.08540	9.0
144.09361	3.0
145.06470	4.4
145.10101	6.1
147.08043	7.4
149.09534	3.8
151.07597	2.6
153.05437	7.4
155.08578	4.7
156.09303	2.7
157.10083	5.5
158.55356	3.2
159.08063	20.5
159.11716	5.8
161.09601	13.0
163.07518	3.4
163.10970	2.1
165.06993	4.4
166.07736	3.2
167.08514	4.8
169.10146	6.6
171.11670	5.7
172.08740	4.3
173.09625	5.6
175.07481	2.6
175.11107	4.3
179.08543	3.9
181.10083	3.7
181.12314	2.9
183.11789	4.5
185.09645	4.3
185.13289	2.7
187.11032	3.3
191.08508	2.6
191.10576	6.5
192.09331	3.6
193.04922	3.8
193.10088	6.1
195.07883	4.3
195.11734	4.7
197.09547	6.6
197.13255	4.9
199.11182	7.1
203.10599	6.6
207.11632	6.5
209.09735	4.5
209.11642	34.6
209.13361	4.5
210.10364	3.1
211.11104	5.2
213.12732	3.0
217.10165	3.1
221.20486	2.2
223.11147	2.8
225.12732	5.6
235.11076	6.6
236.11784	2.7
237.11067	29.9
240.09885	5.4
241.12289	3.6
247.14896	3.5
250.13499	3.0
251.14117	3.5
253.12276	5.7
255.12135	5.5
265.15918	11.5
265.21750	3.0
269.15225	2.4
270.65137	5.1
275.14389	4.5
283.16867	6.6
293.15143	13.8
293.20819	2.8
301.20367	3.1
311.16333	100.0
311.23975	8.1
312.16736	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	311.1639
Annotation	Nafenopin
Peak:m/z	Relative Intensity
52.69761	1.2
55.05509	3.1
59.04983	1.6
60.98176	1.6
63.08964	1.6
67.05501	3.7
69.03080	2.6
69.03430	36.3
69.07060	2.3
79.05489	4.5
81.07057	8.6
83.04953	5.6
83.08599	1.6
90.00791	1.6
91.05464	10.7
93.07048	7.4
95.04969	5.9
95.08608	4.9
97.06494	3.0
99.80122	1.8
105.07043	7.5
107.04961	2.3
107.08557	4.5
109.06526	5.8
117.07008	4.3
119.08582	20.0
121.06493	6.6
123.08018	1.6
128.06226	3.5
129.06949	3.2
130.07726	2.0
131.08580	7.0
133.06493	2.2
133.10139	3.7
134.31018	1.4
135.08051	5.8
137.05998	2.6
141.06984	3.7
142.07765	5.2
143.08537	8.2
144.05664	2.2
145.06470	3.4
145.10118	5.6
147.08014	5.6
149.09598	2.0
153.07022	2.9
155.08522	9.0
156.09320	5.8
157.10162	10.1
158.07260	2.1
159.08067	12.1
159.11684	2.4
161.05992	2.6
161.09605	5.0
165.07043	6.9
166.07793	4.6
167.08588	7.5
168.09348	3.7
169.10120	13.7
171.08058	5.1
171.11694	5.3
172.08755	1.8
173.09630	5.9
175.07535	2.8
175.56424	1.5
179.08607	7.4
180.09332	4.3
181.06535	2.2
181.10085	10.5
182.10918	4.5
183.08115	4.5
183.11716	6.7
184.08829	1.8
185.09619	9.2
187.11220	3.2
191.08510	2.0
192.09367	6.3
193.10104	12.5
194.10878	4.3
195.08075	13.8
195.11708	11.3
196.08844	5.3
197.09586	10.7
197.13272	10.2
199.11130	7.2
201.12730	3.5
203.08656	2.9
203.10634	4.8
205.10135	5.7
206.10857	2.6
207.11664	20.9
208.08850	4.5
208.12431	4.2
209.09633	17.6
209.13219	7.3
210.10411	11.9
211.11151	17.1
212.11995	2.3
213.12767	6.6
215.10667	2.7
217.10146	5.9
218.10907	2.2
219.11650	3.2
220.12434	3.1
221.09604	5.2
222.10429	3.7
222.14107	2.7
223.11165	18.2
223.14706	2.8
224.11940	6.2
225.12738	35.0
226.13481	4.6
227.10526	2.5
227.14276	5.2
232.12431	4.7
233.09634	2.6
233.13205	2.4
235.11157	9.2
235.14754	3.0
236.11935	8.9
237.12794	7.5
237.16370	4.6
238.13628	1.7
241.12251	6.9
245.09669	3.2
247.14832	7.8
249.09088	1.7
249.12669	2.6
250.13567	8.2
251.10698	4.9
251.14380	9.0
253.12189	2.9
253.15875	5.8
255.17519	2.8
260.11942	4.6
263.10782	4.1
263.14221	7.0
265.15875	29.0
267.13855	3.6
267.17429	13.2
269.11771	2.6
269.15170	2.7
275.14380	5.5
278.13025	3.3
281.15283	7.9
283.16913	14.7
293.15350	32.8
311.16400	100.0
312.16736	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	310.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.1
56.96566	1.2
57.03424	2.0
57.07072	4.0
59.04991	0.7
61.02916	4.1
67.05501	7.1
69.03431	7.2
69.07055	1.6
69.34223	0.7
69.93580	1.6
69.93995	2.5
71.04977	3.7
73.02901	1.2
77.95032	0.6
81.03415	3.6
83.01342	1.0
83.59065	0.6
84.08121	0.6
85.02901	34.9
85.06539	4.1
87.04463	1.0
88.10313	0.7
91.03959	2.4
91.05479	0.8
95.04965	12.7
97.02891	9.7
99.04446	2.2
109.02869	2.2
113.06002	42.0
114.06308	0.7
120.08061	1.4
127.03916	7.6
131.07040	100.0
139.03897	2.1
140.04221	1.1
145.04950	14.3
147.04414	1.0
149.08084	1.6
153.01843	1.6
163.06018	4.4
178.04843	0.8
180.24176	0.7
219.03069	1.1
293.02844	0.8
293.12082	1.5
297.46902	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88903	1.3
52.33778	1.4
53.03934	5.5
54.41996	1.4
55.01878	2.0
55.05502	8.4
57.03419	3.7
57.07076	11.1
59.04991	3.4
65.56218	1.6
67.05502	8.0
69.03431	19.2
69.07050	5.7
69.78587	8.4
71.04997	3.1
75.94919	1.5
77.77570	1.4
79.05498	24.7
81.03420	24.6
81.07056	16.8
83.04960	4.0
83.08611	4.8
85.02905	12.5
85.06500	1.8
87.20638	1.4
87.39057	1.6
91.05469	20.1
93.07043	69.7
95.04967	7.0
95.08609	13.7
95.22562	1.3
97.02870	3.2
97.06554	1.8
97.10163	3.3
99.04448	4.8
99.08076	1.9
103.05475	1.8
105.07030	23.5
107.04971	4.7
107.08595	17.9
109.02861	9.2
109.06510	4.5
109.10147	6.6
111.08115	2.0
116.06188	2.3
117.07053	2.1
119.08592	12.4
121.06490	5.1
121.10140	100.0
122.10451	2.2
123.08070	7.7
123.11723	5.9
125.09664	1.7
127.03901	6.3
129.07034	2.8
131.08569	14.2
133.02881	1.9
133.06470	1.6
133.10114	8.3
135.08076	2.5
135.11658	3.8
137.05966	5.9
137.13278	1.9
139.11240	2.9
143.08560	2.9
145.06453	1.8
145.10121	5.5
145.20947	1.5
147.08075	1.6
147.11697	2.2
149.02415	2.4
149.09616	56.0
151.03915	1.9
157.10150	2.4
159.08051	2.4
159.11696	1.9
163.11169	3.0
167.10670	5.8
169.10056	1.7
170.10970	1.6
175.07533	1.9
179.08551	1.7
181.10034	1.6
183.11600	1.9
187.07701	1.9
191.08487	3.7
195.11649	1.6
197.09567	2.0
199.11060	1.8
207.08186	2.1
207.11649	2.3
209.13249	2.3
219.07982	2.9
223.11177	1.9
223.14952	1.6
236.12047	1.6
248.12059	1.7
251.10751	4.6
253.08720	1.7
265.25143	1.5
275.20242	1.8
275.23505	1.6
279.10202	2.8
283.05933	1.7
283.16934	2.5
293.13773	20.1
293.21005	2.0
293.24646	2.1
311.09567	1.6
311.12326	2.1
311.16550	18.2
311.23480	3.7
316.10434	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	13.3
56.96544	2.8
57.03421	2.3
57.07048	1.7
58.99568	7.8
67.05487	2.9
68.05036	10.1
69.03395	1.7
69.07047	6.2
71.04996	2.3
71.61620	3.4
76.72179	1.3
77.02092	1.4
79.05479	4.3
81.03384	3.2
81.07034	4.8
83.04974	26.6
84.96046	2.0
85.01114	1.7
85.02900	12.5
86.03210	1.8
86.99014	3.0
88.03965	3.0
91.05470	6.8
93.07054	7.8
93.31791	1.4
95.04940	2.8
95.08595	6.2
97.01083	4.5
97.02868	2.9
98.97561	5.0
100.02190	3.0
103.05444	2.7
105.00075	2.8
105.07020	7.4
107.04965	3.0
107.08615	8.6
109.02869	1.7
109.06503	4.7
109.10180	1.5
116.98598	5.0
119.08604	7.8
120.08099	5.1
121.06450	3.2
121.08871	3.0
121.10128	4.4
122.09674	3.7
123.04422	1.4
123.08026	6.3
124.07597	2.4
125.02283	1.8
125.09631	2.0
126.03728	13.3
129.05441	2.3
130.05804	1.9
132.08092	2.6
133.06476	4.7
133.10132	2.6
135.08073	1.8
137.04190	100.0
138.04541	2.6
139.02190	2.0
139.05733	5.9
143.03394	1.7
143.08569	1.4
145.10098	2.6
146.02699	14.6
147.04384	2.4
147.11668	12.6
148.04686	3.4
149.09688	1.7
150.09134	1.6
151.07469	1.5
153.01808	21.7
161.13222	3.2
162.99101	1.6
163.05708	4.4
165.03661	9.3
165.07251	2.2
165.12762	8.6
166.08653	2.4
167.05263	2.3
170.08095	4.8
172.04257	70.5
179.08855	4.9
187.11230	2.6
189.12804	7.1
203.08817	1.6
206.15321	4.5
209.06226	12.3
212.07365	2.9
219.01747	1.8
221.09862	7.2
223.11452	5.0
226.08852	2.8
226.98622	3.4
228.10461	6.4
229.00206	1.8
237.05482	2.0
241.00156	3.0
247.01263	2.6
254.08456	5.4
259.01202	8.0
264.14301	2.0
277.02380	4.1
283.01389	1.8
287.00763	1.9
289.08279	1.7
290.09125	2.6
292.13535	2.7
293.12094	4.8
299.09650	8.9
301.02191	7.4
310.14700	67.3
311.05414	7.4
311.15588	2.4
325.13138	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2784
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
51.60390	1.0
53.03942	2.3
55.05503	24.1
57.03418	2.4
57.06825	1.2
57.07070	15.7
59.04984	1.4
65.03925	1.8
67.05499	35.4
69.07061	47.7
69.33468	1.0
70.20131	3.4
70.20555	1.8
71.04984	6.4
71.08620	7.8
79.05490	17.2
80.10165	1.1
81.07048	100.0
82.07408	1.4
83.04972	2.4
83.08143	1.6
83.08611	27.2
85.06533	6.7
85.10182	5.4
85.24832	1.0
91.05473	10.1
93.07034	32.4
95.04958	11.3
95.08597	86.5
96.08919	1.2
97.06509	4.8
97.10164	18.6
99.08057	2.7
102.48975	1.0
105.07020	18.0
107.08581	29.6
109.06479	2.7
109.10145	49.4
111.08038	4.8
111.11702	10.7
113.09710	1.2
119.04913	2.0
119.08567	11.9
121.10136	22.5
123.08047	4.3
123.11698	31.5
125.09583	1.9
125.13219	2.8
133.10129	10.9
135.11681	17.0
137.09621	7.6
137.13219	10.5
139.11172	3.0
145.10130	1.0
147.04404	3.3
147.11693	10.3
149.13240	19.2
151.11153	2.9
151.14801	4.9
154.80954	1.1
155.10646	3.5
161.13226	9.9
163.14818	10.5
165.12750	4.1
165.16335	3.1
167.14287	1.1
174.44669	1.0
175.14751	5.0
177.16321	5.7
179.14308	1.3
179.17911	2.0
189.16393	5.1
191.17905	3.2
203.17929	4.3
208.54762	1.0
217.19479	4.4
243.92946	1.0
248.78079	1.0
265.25131	1.1
273.25742	22.9
274.26154	1.1
279.26886	1.4
291.26804	18.7
292.27142	1.5
309.27835	23.9
310.28217	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2784
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03947	2.8
55.05261	1.9
55.05508	24.3
57.03412	1.4
57.07073	11.0
59.05002	1.3
61.43503	1.0
65.03934	1.7
66.06195	1.0
67.05501	33.3
69.03451	1.6
69.07066	39.6
69.96397	2.1
69.96801	4.9
71.04994	7.2
71.08620	4.4
79.05490	15.7
81.07053	100.0
82.07382	1.4
83.04981	3.5
83.08618	23.4
85.06535	5.8
85.10170	2.6
91.05479	7.1
93.07043	29.3
95.04962	4.9
95.08601	92.5
97.06522	7.8
97.10160	17.1
99.08080	2.7
105.07032	10.0
107.08591	25.9
109.06519	3.4
109.10149	50.4
110.10432	1.1
111.08089	3.6
111.11708	8.9
119.08591	9.7
121.10139	22.7
123.11705	29.6
125.09673	2.1
125.13280	2.5
133.10126	5.5
135.11681	14.2
137.09666	1.3
137.13239	9.2
139.11198	2.3
147.04401	4.3
147.11700	6.0
149.13245	14.2
151.14807	2.3
153.89198	1.2
155.10594	1.5
160.63220	1.2
161.13248	4.9
163.14810	9.5
165.12689	2.2
165.16402	1.3
167.14258	1.6
169.53226	1.1
175.14851	2.7
177.16389	5.3
179.17955	3.2
189.16281	1.4
191.17955	3.4
192.34218	1.2
203.18031	2.4
217.19501	3.2
220.01851	1.2
273.25720	8.5
291.26843	13.4
309.27863	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	309.2785
Annotation	Viteagnusin D
Peak:m/z	Relative Intensity
53.03941	1.3
55.01854	1.3
55.05509	24.3
57.03429	2.1
57.07071	11.5
65.03929	1.1
67.05502	30.4
69.03426	1.7
69.07063	47.4
70.15121	4.9
71.05001	7.0
71.08625	6.4
79.05486	13.7
81.03416	1.6
81.07051	100.0
82.07392	2.9
83.04977	3.1
83.08610	25.0
85.02869	1.0
85.06549	6.6
85.10163	3.4
91.05464	8.2
93.07036	30.3
93.07632	1.8
95.04961	14.0
95.08600	87.4
96.08942	3.1
97.06522	7.0
97.10168	16.9
98.20801	1.0
98.98418	0.9
99.08095	3.7
105.07018	12.0
107.07860	1.7
107.08583	30.5
109.06525	3.1
109.10149	48.4
110.10517	1.3
111.08072	4.5
111.11720	10.5
113.09643	1.3
119.04925	2.9
119.08563	10.0
121.10130	18.1
123.08092	3.5
123.11700	30.0
125.09637	1.7
125.13263	3.9
129.12805	1.0
133.10120	8.2
135.11684	12.4
137.09627	5.4
137.13246	10.7
139.11151	2.0
147.04393	13.2
147.11665	6.9
149.13251	18.9
151.11189	1.4
151.14795	5.5
153.12671	1.2
155.10719	3.1
161.13232	6.5
163.14816	10.6
165.05547	1.1
165.12746	1.9
165.16397	2.2
175.14795	3.3
177.16359	5.7
179.17952	2.7
184.96301	0.9
189.16418	2.5
191.17924	2.7
200.71504	1.0
203.17947	3.0
205.19522	1.0
214.43552	0.8
217.19534	2.8
273.25766	14.5
279.26831	1.4
280.56384	1.0
291.08688	1.0
291.26801	14.9
292.27341	1.0
309.11325	1.6
309.14862	1.8
309.27841	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	309.2785
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03920	2.2
55.01881	0.9
55.05508	25.8
57.03424	1.9
57.07075	10.9
67.05498	39.5
69.03413	2.4
69.07063	44.5
71.04990	9.3
71.08630	5.4
71.34406	1.9
76.13748	0.9
77.96863	0.9
79.05485	15.6
81.03419	1.5
81.07051	100.0
82.07356	1.6
83.04969	7.4
83.08612	27.3
85.02884	1.9
85.06541	7.2
85.10186	2.2
85.26176	1.0
91.05469	7.7
93.07035	32.8
95.04967	6.4
95.08599	94.5
96.08955	1.9
97.06531	6.8
97.10154	17.3
99.08094	1.9
105.07024	15.1
107.08591	29.4
109.02850	1.5
109.06525	2.1
109.10146	49.9
111.08061	6.1
111.11702	9.0
113.09672	0.9
115.11170	1.3
119.04945	3.5
119.08559	9.6
121.10137	21.4
123.08035	2.0
123.11697	30.0
125.09626	2.8
125.13254	2.1
133.10109	6.0
135.11691	15.4
137.09602	2.5
137.13237	9.1
139.11131	2.0
141.12659	1.2
147.04401	17.3
147.11656	7.8
149.13239	17.1
151.14804	3.4
161.13210	4.9
163.14809	10.3
165.12802	1.3
165.16325	1.4
175.14796	1.5
177.16417	4.6
179.14243	1.0
179.17961	3.3
189.16333	1.9
191.17929	3.6
195.11812	1.1
195.17490	1.2
197.09488	1.0
203.17999	2.6
209.19051	1.1
217.19518	3.0
235.20599	1.3
247.24327	1.5
263.14352	1.3
273.25757	11.3
291.08411	1.0
291.26761	14.3
296.18423	0.9
309.16644	4.4
309.27878	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2422
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03927	7.8
55.01852	10.1
55.05509	37.6
57.03444	28.8
57.07061	6.7
66.55344	4.8
67.05165	7.3
67.05502	88.9
69.07067	37.0
69.07741	4.1
69.97839	15.9
69.98241	11.5
71.04996	7.1
71.08625	34.7
73.95436	5.0
79.05120	6.2
79.05494	58.6
81.07053	99.3
83.04978	15.8
83.08617	25.2
85.06525	8.5
87.22958	4.3
91.05483	40.6
93.07043	80.1
94.18976	5.4
95.04946	21.9
95.08598	77.1
97.06502	7.7
97.10168	25.0
99.08087	31.0
105.07024	37.7
107.06985	5.1
107.08590	70.1
109.06508	6.7
109.10146	47.3
111.08064	6.7
111.11724	7.8
117.06989	11.1
118.56819	5.6
119.08565	22.4
121.10129	50.2
123.08044	8.0
123.11681	10.6
125.09598	10.2
131.08556	17.9
133.10106	20.8
135.08066	14.7
135.11665	45.9
137.09575	7.0
139.11125	8.0
143.08574	6.8
145.10112	13.6
147.11674	16.5
149.13234	19.1
151.11154	16.8
157.10135	8.2
159.11685	16.1
161.13203	9.9
163.11238	6.5
163.14798	7.9
164.94330	6.1
171.11719	11.8
173.11865	5.3
175.14761	5.9
179.14265	79.3
181.12302	6.0
187.14806	14.9
197.09599	27.2
197.63776	5.3
199.14801	5.4
203.12791	8.1
203.18182	5.0
223.11133	6.8
225.16570	6.3
225.18828	5.2
233.09642	10.6
234.24651	4.7
235.17026	5.3
241.19527	15.5
259.20563	21.5
263.14297	10.6
277.21588	100.0
281.15237	7.9
291.13663	10.9
291.23126	18.2
309.14856	44.2
309.24368	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2208
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
55.01852	5.2
55.05501	17.5
57.03434	6.4
57.07065	4.2
59.04976	7.0
60.17690	3.7
64.08770	3.9
65.10955	3.8
67.05506	34.8
69.03415	6.2
69.07067	26.1
70.01653	21.2
74.31025	3.5
79.05492	33.4
81.07051	52.5
83.08611	11.9
91.04954	5.6
91.05478	43.3
93.07040	77.2
95.04962	50.9
95.08604	50.8
97.06526	24.2
103.05435	6.9
105.07026	84.3
107.04967	4.3
107.08601	35.2
109.06519	9.6
109.10148	28.9
115.05457	5.8
117.07037	19.9
119.08582	62.3
121.06505	15.2
121.10143	100.0
122.10602	3.8
123.08068	15.1
123.11729	10.6
128.06219	10.2
129.06985	12.1
130.07755	6.1
131.08566	43.8
133.10118	44.3
135.08046	6.4
135.11697	17.0
141.06969	8.2
142.07794	21.0
143.08562	32.6
144.09331	7.5
145.06454	4.6
145.10150	54.2
147.08087	7.4
147.11690	18.6
155.08556	7.9
156.09360	9.9
157.10133	29.1
159.08075	7.1
159.11690	43.3
161.09575	11.4
161.13249	7.5
165.06883	4.1
167.08601	6.5
169.10124	22.0
170.10828	5.0
171.11734	23.8
173.13272	22.1
175.14804	9.2
179.08510	6.8
181.10107	9.6
182.10898	5.8
183.11732	18.6
183.13138	4.1
185.13255	14.6
187.11183	15.1
187.14792	18.6
193.10184	6.8
194.11003	4.1
195.11679	9.2
196.12277	4.1
197.09625	5.9
197.13205	18.2
199.14813	9.9
201.12802	5.4
206.10880	7.0
207.11743	8.3
208.12607	4.8
209.13274	9.8
211.14819	10.8
213.16359	7.3
215.14229	5.6
223.14865	5.8
225.16397	7.2
235.14691	5.5
253.15840	9.4
263.14050	4.1
267.17313	5.1
281.15237	5.0
281.22623	7.8
291.20941	8.7
309.14798	15.5
309.22021	92.3
310.22470	4.5
318.70786	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	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.05744	1.5
53.03930	3.1
55.01870	10.5
55.05507	53.3
56.82322	1.4
57.03427	6.7
57.07065	7.1
59.04986	3.2
64.76082	1.2
65.03931	2.6
67.05501	41.6
69.03423	11.8
69.07062	36.5
70.49587	1.2
71.04991	6.7
71.08601	1.5
79.05487	35.6
80.39839	1.3
81.03419	19.7
81.07050	92.9
83.04974	31.1
83.08611	26.2
84.91571	1.5
85.02895	9.3
85.06531	4.7
87.04444	1.3
89.68739	1.3
91.04900	1.5
91.05475	25.4
93.07030	30.6
95.04961	17.4
95.08598	41.7
97.02876	2.5
97.06505	9.6
97.10157	32.8
98.20717	3.2
98.98474	2.6
99.04429	3.9
99.08099	3.3
101.91454	1.4
105.07020	21.0
107.04945	7.6
107.08588	30.0
109.02882	5.3
109.06512	7.2
109.10148	20.9
111.04435	15.4
111.08073	10.3
113.06002	1.3
115.05437	1.6
117.07013	7.6
119.04939	22.0
119.08582	20.1
121.06503	7.4
121.10146	14.8
123.04440	2.7
123.08054	31.6
123.11722	8.0
125.06034	1.7
125.09625	28.1
127.03905	2.5
127.11123	1.5
129.06987	5.0
131.08568	10.2
133.06491	2.6
133.10153	8.2
135.08052	7.5
135.11684	11.2
137.05939	1.5
137.09596	10.4
137.13255	2.6
139.11189	3.7
141.06964	1.9
141.09109	1.4
143.08522	3.2
143.10670	1.6
144.53207	1.5
145.10097	8.2
147.04399	100.0
147.08040	6.8
147.11708	11.8
148.04764	5.7
149.09593	5.7
149.13255	6.0
153.01811	2.9
153.09082	4.3
153.12752	4.3
157.06488	1.6
157.10129	4.7
159.08005	1.6
159.11682	4.5
161.09634	2.5
161.13260	4.2
163.11176	21.7
163.14833	3.3
165.05475	4.2
165.09102	10.0
165.12758	2.4
169.10071	2.0
171.10239	1.5
171.11707	3.2
173.09636	2.4
173.13222	2.3
175.11176	4.7
175.14825	1.6
177.12654	1.5
181.12193	6.4
187.11113	2.9
189.11194	23.6
189.12675	1.9
191.10641	7.6
193.10487	1.8
193.12212	10.3
195.11719	2.3
197.09610	4.6
199.14809	2.4
211.13243	3.4
223.11218	2.1
223.13306	5.3
227.12709	6.7
229.19576	1.8
229.35928	1.6
233.09605	3.3
245.19067	3.4
248.11961	1.5
249.12630	1.8
255.17409	3.8
263.14200	1.5
273.18491	21.1
273.25851	2.7
276.11224	1.7
277.08594	2.4
281.15198	1.8
289.10175	1.5
291.08661	5.7
291.13919	2.5
291.19537	71.4
291.26752	5.5
292.19958	3.7
307.50983	1.5
309.10870	4.3
309.14893	12.6
309.20444	18.8
309.27838	12.5
310.20905	2.1
313.76395	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03928	3.5
55.01862	14.2
55.05510	21.8
57.03425	6.3
57.07078	2.2
59.05000	2.4
65.03949	3.0
67.05501	31.7
69.03417	7.9
69.07076	11.9
71.04990	4.0
71.60710	3.3
79.05490	29.8
81.03414	7.5
81.07053	72.8
83.04971	22.2
83.08604	13.8
85.02879	10.2
85.06534	5.3
91.05461	29.7
93.07039	29.5
95.04944	15.3
95.08602	21.9
96.73969	1.9
97.02869	2.4
97.06518	5.7
97.10159	12.6
98.14896	2.0
99.04462	5.1
99.08035	2.1
105.07018	18.4
107.04912	4.8
107.08582	23.9
107.17851	1.9
109.02859	5.2
109.06522	14.6
109.10161	14.8
111.04432	38.6
111.08076	8.9
113.06017	4.4
115.05450	2.8
117.07001	12.0
119.04946	13.7
119.08571	30.5
121.06487	5.6
121.10138	15.4
123.08080	9.1
123.11713	2.7
125.09624	7.8
129.07021	7.9
131.08591	10.3
133.06448	3.3
133.10130	7.6
135.08070	7.6
135.11684	12.7
137.09605	4.7
143.08569	7.6
145.06505	1.9
145.10114	21.4
147.04402	64.2
147.05510	4.3
147.08057	12.2
147.11655	5.8
148.04750	3.3
149.09668	7.3
153.12737	9.5
154.07672	2.3
155.01073	2.4
155.08501	3.4
157.10136	5.8
159.08041	5.9
159.11771	3.7
161.09618	7.0
163.11125	14.8
165.02832	2.2
165.05473	3.4
165.09070	2.8
169.10109	3.5
173.09598	6.1
173.13226	2.1
177.16472	2.5
181.12219	17.1
185.13341	3.0
189.11197	5.3
191.10670	16.6
193.10054	2.4
196.08882	1.9
197.09605	10.9
205.10039	3.3
219.11665	2.4
223.11176	6.6
223.13219	4.1
226.36356	2.2
227.12798	10.2
233.09607	5.5
237.16476	3.0
248.12021	5.0
249.14859	7.0
251.10835	2.4
252.11426	2.0
255.17384	4.6
263.14389	3.6
273.18466	28.6
276.11447	3.7
281.15378	3.4
291.08652	2.8
291.13849	6.2
291.19513	100.0
292.19788	5.1
309.11053	2.4
309.14862	29.1
309.21057	2.5
310.15192	3.2
328.98190	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03940	8.5
55.01876	23.8
55.05508	37.9
57.03425	7.1
57.07068	14.8
58.54306	5.1
59.04994	6.9
61.42796	4.6
64.26362	5.1
67.05498	63.2
69.03417	13.3
69.07068	29.6
71.04978	13.8
71.60520	7.9
74.95770	4.3
79.05492	55.2
81.07052	88.3
83.04965	16.2
83.08605	18.1
85.06544	8.4
91.05472	56.0
93.07037	61.1
95.04962	17.0
95.08600	36.7
97.06544	9.2
97.10128	6.3
99.04465	5.3
99.08090	5.8
105.07022	62.2
106.56950	4.7
107.04947	14.2
107.08587	48.5
109.06490	19.5
109.10149	75.1
111.04459	9.7
111.08081	10.7
117.07001	12.7
118.34177	5.3
119.08581	20.3
121.06525	12.9
121.10117	19.9
123.08073	8.5
123.11707	13.7
125.09556	8.6
129.07019	6.8
131.08595	14.5
133.06494	12.8
133.10115	82.7
135.08101	7.4
135.11674	14.1
137.05951	8.0
139.07550	5.6
143.08560	17.7
145.10098	13.6
147.04414	13.9
147.08060	11.8
147.11671	11.5
149.09627	14.5
151.11171	42.0
157.10190	11.8
159.11713	9.4
161.09610	18.4
169.12225	12.6
171.11757	9.7
172.46167	4.9
179.10645	4.8
185.13290	7.0
189.12816	6.5
197.09639	9.8
203.14290	8.2
209.09709	7.1
223.11195	9.9
227.18333	5.4
233.09676	6.1
234.74838	5.9
245.18988	19.0
263.14325	6.5
263.20090	25.5
273.18488	50.0
289.87521	6.4
291.14224	6.0
291.19522	100.0
291.22739	3.3
309.14719	28.0
309.20685	22.9
309.26276	7.9
322.85831	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	309.2057
Annotation	Albocycline
Peak:m/z	Relative Intensity
55.01856	6.0
55.05508	19.8
56.96550	1.5
57.03413	2.4
59.04995	1.4
67.05502	12.0
69.03418	6.0
69.07058	13.2
70.04104	1.5
71.04971	1.7
71.60355	2.5
75.96162	1.2
79.05496	11.3
81.07051	17.3
83.04985	3.4
83.08618	11.2
85.02882	2.2
90.79398	1.3
91.05477	7.6
93.07027	10.3
94.41730	1.3
95.04962	5.4
95.08605	8.5
97.02888	1.3
97.06514	2.5
97.10172	16.7
98.98489	1.6
102.31461	1.2
105.07023	6.7
107.04945	2.0
107.08555	10.2
109.06511	2.2
109.10137	5.3
111.04490	1.6
111.08027	2.6
117.07011	3.4
119.08557	6.6
121.06493	3.1
121.10135	3.4
123.04411	1.9
123.08054	3.7
123.11705	2.1
125.09633	9.5
129.07028	2.0
129.68190	1.4
131.08530	4.6
133.06474	2.7
133.10138	4.4
135.08093	2.4
135.11699	1.5
137.09610	1.8
143.08540	1.9
145.10110	4.2
147.04396	4.2
147.08049	4.1
147.11708	3.7
153.09082	1.9
157.10083	2.4
159.08014	2.1
159.11642	2.2
163.11176	2.8
165.09111	2.3
169.10115	1.5
171.11757	1.5
171.96635	1.4
189.11221	7.9
197.09604	4.7
199.11189	1.9
207.34399	1.5
223.11156	2.2
223.13286	5.3
233.09752	1.7
263.14203	1.9
273.18524	10.1
281.15283	1.7
291.19510	100.0
292.19943	6.5
309.15002	11.9
309.20581	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	309.1483
Annotation	Ovalifoliolatin B
Peak:m/z	Relative Intensity
50.47878	0.6
53.03934	1.0
53.72429	0.5
55.01862	1.2
55.05494	1.9
57.03418	1.4
66.03396	0.5
67.05493	2.5
69.03426	25.2
69.07060	1.7
69.79777	3.5
71.04984	2.5
73.02905	0.9
74.97681	0.5
76.24671	0.6
79.05494	4.6
81.03405	1.7
81.07033	1.7
83.04967	1.9
83.08601	1.3
85.02901	12.8
85.11945	0.6
91.05482	6.0
92.05800	0.6
93.07036	2.2
95.04967	4.2
97.02893	3.1
97.06522	0.6
98.20764	0.6
99.04437	1.9
101.09656	1.4
101.50974	0.5
105.07021	3.9
107.04907	1.4
107.08594	3.6
109.02858	2.3
109.06509	2.6
110.87663	0.6
111.04433	1.0
111.73579	0.5
115.05441	2.2
117.07006	2.4
119.04938	2.4
119.08598	2.8
121.06499	2.5
123.04393	0.7
123.08026	0.7
127.03894	1.4
128.06206	1.7
129.05476	0.8
129.06996	2.2
131.08560	2.3
133.06435	1.1
135.08047	3.3
137.05978	0.8
139.88651	0.5
141.06976	2.5
142.07777	2.9
143.08582	3.2
145.04982	1.8
145.06476	2.9
145.10107	1.0
147.04411	6.5
147.08017	3.0
151.07504	1.2
152.06207	1.1
153.06949	2.9
154.07753	2.0
155.08540	4.3
156.09361	1.6
157.06497	0.8
157.10150	2.9
158.07224	1.1
159.08035	10.4
159.11726	0.8
161.09610	1.9
163.07504	1.9
164.04550	0.7
165.06966	10.3
166.07683	2.1
167.08524	3.4
168.09300	1.5
169.06487	1.5
169.10138	2.6
170.07303	0.8
171.08063	3.6
171.11604	0.9
172.04248	0.8
173.09583	3.0
175.07532	1.4
177.09193	0.7
178.07776	4.1
179.08514	6.1
180.09320	5.7
181.06514	1.8
181.10085	4.1
182.07298	2.7
183.08060	5.4
183.11627	3.8
184.08878	2.7
185.09598	4.8
186.10368	2.0
187.07549	3.4
187.11151	1.2
189.07018	0.7
189.09157	0.8
190.07724	1.0
191.08514	4.4
192.09276	2.8
193.10127	6.6
194.07297	1.2
194.10844	2.6
195.08067	4.4
195.11694	7.0
196.08820	3.7
196.12373	0.6
197.09607	23.1
197.13170	0.9
198.10226	2.6
199.07585	0.9
199.11183	3.8
201.09055	2.1
202.07802	1.1
202.09862	2.9
203.08601	1.4
204.09274	1.6
205.10107	8.5
206.10907	4.6
207.08051	1.8
207.11705	4.1
208.08832	3.6
209.09610	8.9
209.13235	0.8
210.10411	3.7
211.07585	1.3
211.11150	9.7
211.14667	1.1
212.11852	1.1
213.09073	1.9
213.12614	0.8
215.08563	2.0
215.10669	2.2
216.09190	1.4
217.10147	1.6
218.07248	1.9
218.10931	0.8
219.08020	4.6
219.11697	2.4
220.08806	1.6
220.12434	5.0
221.09631	5.0
221.13182	3.3
222.10289	3.0
223.07649	1.0
223.11162	19.8
224.08330	1.3
224.11934	3.0
225.09157	3.1
225.12686	3.2
225.16263	0.7
227.10652	1.6
229.10101	1.7
230.10898	3.6
231.07959	0.8
231.11629	1.8
232.08894	1.3
233.09587	18.2
234.10320	5.3
235.07535	1.1
235.11154	5.0
235.14752	7.4
236.08260	1.0
236.11929	0.9
237.09108	1.7
237.12674	3.0
238.13454	1.3
239.10658	6.9
239.14314	3.2
241.12283	0.7
245.13297	2.7
246.10240	1.0
247.11107	5.3
248.11946	13.0
249.09065	1.8
249.12727	8.7
250.09743	1.0
250.13397	0.8
251.10658	5.1
251.14290	0.8
252.11375	2.6
253.08656	0.8
253.12221	2.2
253.15852	3.7
258.10324	1.4
259.11142	1.0
261.09119	5.2
261.12457	1.5
262.09869	1.7
263.11310	1.2
263.14288	20.6
264.11404	0.9
264.14664	1.5
265.08228	0.6
265.12238	2.6
265.15915	1.4
266.12872	3.6
267.10336	1.3
267.13782	5.6
270.81497	0.6
273.12671	3.2
275.10684	1.4
276.11435	9.9
278.12881	0.8
279.10352	1.3
279.13721	2.3
280.14468	0.9
281.12085	1.2
281.15298	17.7
282.15488	0.6
291.08875	0.9
291.13803	20.2
294.12592	2.2
309.14825	100.0
310.15128	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	309.1483
Annotation	Ovalifoliolatin B
Peak:m/z	Relative Intensity
53.03947	1.6
55.01860	1.1
55.05497	4.0
59.57098	0.9
67.05500	5.4
69.03425	12.9
69.07061	4.1
69.72779	2.5
69.73183	6.3
71.04993	2.6
71.08612	2.9
77.04027	1.0
79.05494	6.2
81.07047	5.4
83.04974	2.3
91.05476	7.1
93.07045	5.6
95.04967	3.4
95.08583	3.9
96.31413	1.0
97.06512	2.2
97.10171	1.1
99.04433	1.6
99.08081	1.7
101.08901	1.0
105.07011	3.8
107.04930	1.4
107.08598	7.7
109.02885	1.5
109.06528	3.3
109.10157	1.8
110.83842	0.9
115.05466	3.7
115.10281	0.9
117.07011	4.2
119.08573	3.7
121.06496	1.3
121.10146	1.5
127.85726	1.0
128.06229	2.0
129.06976	1.6
131.08580	2.0
135.08084	4.1
141.06963	2.4
142.07753	2.3
143.08591	2.4
145.06506	3.4
145.10146	1.3
147.08011	2.3
153.06987	1.0
154.07776	1.9
155.08546	4.4
157.10066	1.8
159.08057	11.6
161.13300	1.2
163.07520	2.6
165.06984	4.5
165.12781	1.5
166.07794	1.4
167.08597	2.9
168.09348	1.4
169.06441	1.4
169.10129	3.7
171.08060	2.6
171.11684	1.1
173.09608	2.7
178.07800	3.1
179.08563	6.2
180.09341	3.0
181.06476	1.2
181.10129	5.1
182.07277	2.6
183.08061	4.7
183.11702	3.6
184.08841	3.6
185.09610	4.3
186.10358	2.6
187.07628	1.3
190.07751	2.0
191.08548	4.5
192.09334	3.1
193.10147	6.8
194.10878	1.6
195.08018	5.1
195.11678	4.2
196.08792	5.1
196.12350	1.3
197.09628	31.6
197.13298	1.6
198.10345	1.9
199.11134	2.9
203.08415	1.1
204.09317	2.0
205.10109	10.2
206.10866	7.1
207.07964	1.4
207.11647	5.1
208.08861	4.2
209.09612	13.5
209.13354	1.3
210.10342	4.2
211.11136	7.7
213.67058	1.3
215.08641	3.0
217.10155	1.7
218.07274	2.2
219.08035	5.1
219.11646	2.7
220.08722	2.1
220.12488	7.4
221.09599	4.8
221.13240	3.7
222.10437	3.0
223.11157	17.5
224.11922	4.8
225.09108	2.1
225.12827	1.9
227.10611	1.6
230.10875	4.9
231.11765	1.5
232.08783	2.8
233.09616	22.4
234.10387	5.1
235.11134	5.4
235.14767	5.5
237.09081	1.5
237.12772	2.8
239.10638	2.8
239.14200	2.2
241.12157	1.3
245.13226	3.5
246.10310	2.0
247.11270	6.3
248.11955	15.2
249.12805	7.0
250.09860	1.2
251.10655	6.0
251.14163	1.6
252.11382	2.2
253.15862	4.9
259.11340	1.4
261.09116	5.1
261.12689	1.4
262.09760	1.3
262.13422	2.3
263.11398	1.7
263.14291	24.3
263.16895	1.9
265.12244	1.9
266.13000	3.1
267.10202	1.7
267.13742	2.6
269.11710	2.1
273.12778	3.0
275.10764	2.0
276.11414	10.0
281.15384	19.5
291.13824	18.7
291.23233	6.1
294.12610	1.5
309.14847	100.0
309.24231	28.2
310.15207	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	309.1483
Annotation	Ovalifoliolatin B
Peak:m/z	Relative Intensity
53.03933	2.2
55.05504	4.6
57.07050	2.0
67.05489	4.2
69.03426	6.8
69.07051	5.8
69.63671	14.1
71.04961	2.0
79.05486	8.1
81.07022	3.1
83.08591	2.6
91.05473	8.8
93.07043	2.0
95.04947	3.2
95.08608	2.8
97.10175	3.0
105.07005	5.2
107.08585	8.8
109.02962	1.9
109.06548	3.4
109.10159	2.3
115.05453	3.9
117.07010	3.5
128.06165	3.1
129.06989	4.1
135.08041	5.2
141.06960	3.1
143.08505	3.2
145.06523	2.6
151.94020	2.2
154.07780	4.3
155.08565	4.1
159.08047	10.7
163.07538	4.1
165.06970	3.6
166.07831	2.1
169.06461	2.2
169.10138	5.2
173.09561	2.6
178.07739	4.1
179.08571	4.3
181.10121	4.3
182.07266	3.7
183.08028	7.4
184.08862	5.2
185.09605	2.9
186.10347	2.0
191.08537	5.5
192.09274	2.6
193.10133	7.5
195.08032	3.6
195.11711	4.2
196.08774	4.0
197.09621	60.9
198.10193	2.6
199.11270	2.0
201.09206	2.6
203.08516	4.2
205.10071	9.9
206.10925	6.2
207.11679	5.0
208.08844	3.1
209.09663	10.0
210.10445	4.1
211.11078	4.2
215.08527	3.8
217.10075	2.7
219.08058	3.8
220.12489	5.7
221.09673	3.8
223.11172	7.8
224.11960	2.7
230.10863	4.1
233.09563	21.2
234.10295	4.6
234.83548	1.9
235.11220	5.2
235.14857	4.9
236.12010	2.4
237.12711	3.4
239.10582	3.4
245.13217	4.5
247.11192	7.1
248.11940	11.5
249.09038	2.3
249.12772	6.7
251.10661	4.0
252.11340	2.1
261.09167	4.4
261.12604	3.5
262.13348	2.5
263.10367	2.1
263.14349	20.2
265.12219	2.2
266.13116	3.0
273.12616	2.7
276.11505	7.3
281.15305	12.9
285.06937	2.1
291.13782	18.3
309.14835	100.0
310.15240	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	309.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.05511	2.5
55.06521	0.4
56.96560	0.7
57.03437	10.8
59.04991	1.5
61.02920	1.7
69.03426	3.0
71.01355	1.8
71.04990	25.0
71.59666	0.8
73.02921	5.2
75.04477	14.7
78.67174	0.4
79.12107	0.4
79.60188	0.4
81.03408	1.7
81.07065	0.4
83.04973	5.7
85.02900	100.0
86.03215	0.5
86.06080	0.5
87.04465	2.5
91.05472	2.5
93.37868	0.4
95.04960	0.8
97.02886	3.7
98.97585	0.8
99.04485	2.0
101.06023	1.7
103.03934	1.1
109.02856	1.0
109.06544	0.4
111.04453	2.7
119.04948	1.2
123.04483	0.5
127.03914	3.4
128.98634	0.4
129.05475	21.9
141.26900	0.4
145.04965	1.0
147.04446	5.9
147.06511	15.7
151.04005	0.6
165.07603	1.3
171.06476	0.8
205.68199	0.4
211.06021	0.4
223.87187	0.5
237.02968	0.7
245.43523	0.4
255.08649	0.8
291.08496	0.6
291.13431	0.5
309.14713	0.9
327.07477	0.9
328.82581	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.05504	14.9
56.96553	2.1
57.03431	9.6
59.04986	1.7
61.02917	2.3
65.03936	0.6
67.05501	3.9
69.03426	5.8
69.07057	5.7
70.21381	0.5
71.01335	1.5
71.04985	21.8
71.08608	0.5
71.60020	0.5
71.60413	0.7
73.02909	4.8
75.04472	13.8
79.05480	2.5
81.03411	6.9
81.07052	8.8
83.04981	7.3
83.08613	2.6
85.02897	100.0
85.06542	1.3
86.03264	0.8
86.06050	0.7
87.04458	2.3
91.05476	6.8
93.07047	3.6
95.04964	1.9
95.08598	8.2
97.02869	4.8
97.06528	1.2
97.10159	25.4
98.71945	0.5
98.98457	21.5
99.04469	2.8
101.06005	1.1
103.03957	1.1
105.07008	2.7
107.04971	0.9
107.08587	3.8
109.02864	4.5
109.06510	1.1
109.10143	5.7
111.04443	4.2
111.11716	0.8
115.05419	0.7
116.99543	0.6
119.04936	13.1
119.08549	2.4
120.05255	0.6
121.06477	0.6
121.10158	2.5
123.04436	3.0
123.08046	1.0
123.11647	2.6
125.09612	5.4
127.03910	5.4
129.05469	24.9
133.10143	1.2
135.08061	0.7
135.11673	1.7
137.09602	1.0
137.13269	1.0
137.76768	0.5
139.03893	1.2
139.11197	0.8
143.10663	13.4
145.04965	2.1
145.10129	0.7
147.04401	62.8
147.06517	14.5
147.11670	1.0
148.04762	1.7
149.05994	0.8
149.13263	2.0
150.89291	0.6
151.11147	0.6
151.51053	0.5
153.01871	0.8
153.12692	0.7
159.11749	0.6
161.09543	0.6
161.13229	1.2
163.14853	0.7
165.05511	3.0
165.07695	1.1
165.09018	0.7
165.12811	0.8
171.06534	1.2
171.10196	1.1
174.99277	3.8
175.03905	1.2
175.14888	1.2
178.07683	0.5
189.11208	4.0
197.01291	1.0
197.09706	0.7
206.07266	0.9
207.06563	2.1
209.01157	0.7
209.09627	0.7
223.02946	0.6
227.02252	1.0
234.06752	0.9
245.22633	0.8
251.00069	1.1
255.08670	0.7
273.18793	0.8
273.22159	0.9
274.08615	1.3
277.08606	1.2
281.11746	0.6
281.15399	0.6
283.09180	0.7
291.08603	5.9
291.19824	1.1
291.23169	3.4
291.26123	0.6
299.04404	0.9
309.11356	3.9
309.14774	2.3
309.20660	1.1
309.24252	8.1
309.27780	2.1
334.90527	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27118	0.3
53.03924	1.0
55.01849	0.5
55.05309	0.3
55.05516	2.9
56.96544	0.4
57.03418	1.1
57.07063	0.8
59.05001	0.4
62.03926	0.3
65.03942	0.8
67.05492	3.5
69.03423	4.1
69.07069	3.8
70.75638	0.2
71.04995	1.7
71.08639	0.4
72.12820	0.3
73.02904	0.5
76.02224	0.3
79.05492	2.2
81.03413	10.0
81.07053	8.5
83.04964	0.8
83.08618	1.8
85.02901	7.3
85.06080	0.3
85.06532	1.3
91.05473	8.8
93.07043	3.3
95.04982	1.0
95.08598	6.6
97.02879	1.5
97.06526	0.8
97.10174	2.3
98.98440	1.4
99.04458	1.5
99.08089	0.4
101.02329	0.3
105.07010	1.9
107.08587	3.3
108.36114	0.3
109.02876	4.3
109.06498	0.6
109.10147	4.1
111.04484	0.5
111.08049	0.5
115.07531	0.4
116.69438	0.3
117.07012	0.5
119.04935	23.1
119.08593	1.4
121.10136	1.7
123.04465	0.4
123.08040	0.5
123.11703	2.3
125.09648	0.6
127.03899	1.4
129.05452	0.5
131.08580	0.5
133.10129	1.4
134.99666	0.4
135.08005	0.4
135.11708	1.7
137.09610	0.4
137.13232	0.4
139.03795	0.3
139.11188	0.5
143.08577	0.5
143.10680	0.4
145.10100	0.6
147.04399	100.0
147.11673	1.3
148.04750	2.3
149.09686	0.3
149.13174	0.7
153.01781	0.5
157.10161	0.5
159.11707	0.5
159.55290	0.3
161.13234	0.5
163.14746	0.5
165.05464	3.2
165.09102	0.3
175.14815	0.6
177.16360	0.5
189.16399	0.4
197.09596	0.4
203.17949	0.4
207.11870	0.3
227.02321	0.3
231.61057	0.3
249.07762	0.4
264.85883	0.3
273.18466	1.1
273.25491	0.5
276.11450	0.4
277.08716	0.3
291.05295	0.6
291.08591	11.9
291.19659	0.7
291.23044	0.4
291.26828	1.0
292.08835	0.3
308.26996	0.5
309.09494	2.2
309.14847	1.3
309.20706	0.4
309.24164	0.5
309.27585	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	308.2215
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
55.01853	0.2
55.05498	0.2
57.07059	0.5
58.02939	0.2
59.11063	0.2
65.03944	0.3
66.04678	0.2
67.05489	0.4
69.03422	0.4
69.07046	0.6
69.39274	0.8
69.39701	1.0
70.04060	0.5
71.08612	0.6
71.21240	0.2
76.02219	0.3
79.05479	0.6
81.07043	1.5
84.04491	0.3
91.05466	0.7
94.04169	2.0
95.08589	0.9
107.04958	0.3
107.08593	0.3
108.57796	0.2
109.06481	0.3
114.09145	0.2
116.95793	0.2
119.08579	0.3
122.03637	5.6
128.10739	0.3
131.08533	0.2
135.11678	0.3
137.05963	100.0
137.13214	0.8
138.06303	2.0
147.04395	0.3
152.58110	0.2
154.50359	0.2
155.08606	0.2
155.14302	0.6
172.16948	1.6
179.04652	0.2
184.16974	2.8
197.09703	0.3
223.11208	0.2
233.09616	0.4
263.14508	0.3
267.73386	0.2
276.11774	0.2
281.15155	0.3
291.13879	0.3
291.23288	0.3
308.22278	0.7
308.25720	0.2
309.14789	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
53.76531	0.3
55.05495	0.8
57.03416	1.1
59.04993	0.4
65.03929	0.8
67.05489	0.9
69.03428	3.6
69.07054	0.9
71.04980	1.2
71.60552	0.5
73.02930	0.4
75.04480	0.5
76.32129	0.3
79.05486	1.1
81.03415	5.9
81.07059	1.5
81.74895	0.3
82.05049	0.3
83.04967	0.3
83.08597	0.4
85.02428	0.5
85.02902	6.5
91.04970	0.6
91.05480	8.4
93.07027	1.0
94.21500	0.3
95.04970	0.6
95.08588	1.1
97.02880	0.8
99.04473	0.7
100.11270	0.3
105.07027	1.4
107.05002	0.3
107.08564	1.3
109.02873	2.8
109.06496	0.4
109.10146	0.8
119.04939	23.3
119.08617	0.7
120.05280	0.5
121.10153	0.8
123.08051	0.5
123.11713	0.6
125.09653	0.3
127.03910	1.2
129.05496	1.1
131.08565	0.4
133.10115	1.1
135.08072	0.4
135.11627	0.4
137.05988	0.5
147.04404	100.0
147.11705	0.6
148.04794	1.5
153.01750	1.5
161.77747	0.3
165.05484	3.7
165.09048	0.4
173.13229	0.4
244.91870	0.3
248.11894	0.3
277.08566	0.5
281.11633	0.4
291.08621	6.0
291.13824	0.5
291.19662	0.7
298.09058	0.4
309.09778	1.2
309.14734	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01854	1.0
55.05507	7.4
56.29293	0.4
57.03432	0.7
58.06590	0.9
60.04506	0.8
60.09101	0.5
61.02921	1.1
65.03925	1.8
65.57100	0.5
67.05493	1.7
69.03428	8.6
69.07053	1.2
69.55517	0.5
70.04066	1.4
70.26504	2.5
71.05008	0.7
73.02888	0.6
74.95788	0.5
76.02206	1.5
79.05481	0.6
81.03410	4.0
83.04974	24.1
84.04501	1.3
85.02896	12.5
85.06512	0.8
88.07612	0.8
91.03949	0.7
95.04964	4.4
97.02884	4.1
98.09644	0.5
98.21336	0.7
98.97629	0.6
98.98383	0.7
99.04442	1.5
102.09150	0.6
105.07004	0.5
107.04919	0.5
109.02871	5.8
111.04432	100.0
111.08076	1.9
116.98594	0.6
123.04399	1.8
123.30357	0.5
127.03914	3.9
128.01665	3.5
128.10712	3.3
129.05472	0.9
129.09064	1.2
134.99670	0.6
135.04335	1.0
139.03886	20.2
140.04230	16.5
145.04953	2.3
146.02713	0.8
146.06012	5.5
146.11748	4.1
147.04431	1.6
151.03932	1.1
152.04314	0.7
153.05495	0.7
155.03387	0.7
158.99765	0.7
162.02257	1.0
163.03882	2.1
164.04259	2.2
169.04985	1.7
177.05415	0.8
178.05815	0.6
179.04855	1.4
182.05276	1.1
191.07053	0.5
193.10188	0.6
195.11740	0.6
196.06851	0.5
204.08673	1.1
223.11171	2.2
225.12631	0.9
233.09651	0.9
237.07507	1.1
255.08624	3.7
273.09668	1.4
290.10135	0.6
308.08014	0.6
308.17059	2.9
309.14850	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2629
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
50.20086	0.7
55.05507	14.9
57.07074	4.3
65.03967	1.0
67.05500	25.7
69.07062	19.9
70.02228	3.5
71.04994	1.3
71.08630	1.3
78.57885	0.7
79.05479	9.0
81.07052	100.0
83.08612	8.6
85.06519	1.5
91.05474	1.6
93.07042	10.3
95.04998	1.6
95.08601	88.4
97.06580	1.3
97.10171	9.0
98.20774	1.2
99.08086	1.3
105.07041	3.3
107.08582	11.2
109.10149	48.3
111.08090	3.0
111.11716	3.4
113.06016	0.7
119.08575	3.2
121.10129	10.3
123.08054	0.8
123.11699	23.5
125.09622	1.8
125.13272	1.4
131.08586	1.3
133.10133	3.1
135.11699	5.6
137.13246	8.3
139.11163	2.1
143.10713	0.7
145.10106	1.7
147.11729	1.9
149.13245	4.2
149.60947	0.8
149.85451	0.8
151.11171	2.1
151.13647	1.3
151.14818	14.7
153.12845	0.9
155.10605	0.8
158.70979	0.8
159.11676	2.6
161.13272	3.1
163.14885	2.2
165.12730	1.0
165.16371	2.0
167.14270	1.3
169.12186	0.8
173.13306	1.7
175.14871	1.8
177.12720	1.0
177.16383	2.1
179.14330	3.0
179.17850	0.9
181.12274	1.0
187.14845	1.8
189.16379	1.0
191.14357	0.8
193.15918	1.7
197.15231	0.9
198.49077	0.6
201.16429	1.6
209.15443	1.4
215.17900	1.7
219.17430	1.5
223.16917	2.1
233.19133	0.9
233.22556	1.0
237.18503	4.6
251.20059	2.6
271.24249	3.1
289.25204	7.0
307.26318	28.9
308.26434	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2629
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
52.73712	1.0
53.03941	1.3
55.05271	1.7
55.05508	20.6
57.07076	10.2
61.49154	0.9
65.03922	1.2
67.05502	32.7
69.07060	29.0
71.04971	1.5
71.06557	2.3
71.08610	4.1
79.05487	15.3
81.07051	100.0
83.04971	2.6
83.08613	21.6
85.06526	3.5
85.10156	1.1
89.18204	1.0
89.67464	1.0
91.05482	5.2
93.07037	27.3
94.07368	1.3
95.04938	1.2
95.08601	90.6
96.08890	1.8
97.06509	5.1
97.10158	12.3
99.08075	3.2
104.82635	1.1
105.07014	9.2
107.08589	29.4
108.08942	1.2
108.91092	0.9
109.06517	1.1
109.10149	53.1
111.08075	5.2
111.11731	6.2
113.05994	1.0
113.70931	1.0
119.08594	7.3
121.09312	1.7
121.10126	24.4
123.11696	23.9
125.09644	3.0
131.08571	3.2
133.10097	5.6
135.08070	1.7
135.11684	19.6
137.09624	1.9
137.13251	9.8
139.03896	1.6
139.11179	2.2
143.10612	1.2
145.10072	7.4
147.11662	4.4
149.09644	1.7
149.13268	9.9
151.11130	3.9
151.14822	9.0
155.01082	1.0
159.11703	5.5
161.13300	5.0
163.11179	7.5
163.14809	6.6
165.12695	3.3
165.16405	2.6
173.08051	1.1
173.13260	3.8
175.14827	4.3
177.12721	3.5
177.16333	3.8
179.14299	4.3
179.17917	2.2
181.12201	3.8
187.14836	3.1
189.16388	3.0
191.14352	2.4
191.17972	5.0
193.15919	2.8
195.13811	4.2
201.16379	4.4
205.16000	1.6
207.17455	1.3
209.15361	3.7
215.17885	5.2
219.17455	2.6
223.16808	4.8
233.18959	3.6
233.22688	1.7
237.18506	8.3
251.20099	2.2
271.24155	5.8
279.26807	2.5
289.25220	16.5
307.26260	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.263
Annotation	Crinitol
Peak:m/z	Relative Intensity
50.03875	0.7
53.03938	1.5
55.05262	1.2
55.05511	16.2
57.03445	1.5
57.07068	5.3
67.05502	27.2
69.03407	1.6
69.07067	24.6
70.84945	2.2
71.04975	2.2
71.08609	1.7
74.77784	0.9
79.05487	8.5
81.07056	100.0
82.07381	1.3
83.04967	1.1
83.08612	11.6
85.06538	1.9
91.05470	3.0
93.07039	12.8
95.04966	1.0
95.08605	96.0
97.06505	2.8
97.10168	10.9
105.07017	4.2
107.08596	13.1
109.06486	1.3
109.10152	43.3
111.08063	2.3
111.11700	6.0
117.07000	0.9
119.08561	5.4
121.06503	1.2
121.10129	8.4
123.08064	1.3
123.11707	24.3
125.09641	2.4
125.13319	0.9
127.11295	1.0
133.10130	4.9
135.11726	5.2
137.09622	1.3
137.13257	11.0
137.14265	1.3
139.03922	2.2
139.11148	2.6
145.10150	2.4
147.11697	2.7
147.89731	0.9
149.13260	4.5
149.84637	0.9
151.11169	3.5
151.14810	14.1
155.10661	1.1
159.11713	1.9
161.13231	3.6
163.11180	1.4
163.14807	2.4
165.12776	1.7
165.16399	1.9
169.12239	0.7
173.13281	0.9
175.14845	2.8
177.12775	1.0
177.16327	2.0
179.14276	3.2
187.14825	1.8
189.16400	1.5
191.17949	1.4
193.15912	1.2
195.13884	1.4
195.17644	1.2
197.15398	1.3
201.16336	1.8
205.15993	0.9
207.17488	1.4
209.15453	1.5
215.18013	3.0
219.17419	1.3
223.16963	1.6
237.18425	2.6
251.19991	2.4
264.07886	0.8
271.24231	3.2
278.42004	0.8
289.25305	3.6
290.43823	0.9
307.09729	0.9
307.12991	1.1
307.22983	0.9
307.26282	24.8
308.26468	1.3
325.60785	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2629
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
50.81978	1.0
51.53943	1.1
53.03944	2.0
53.20715	1.4
55.05262	1.4
55.05507	19.7
57.03415	1.4
57.07069	7.7
63.92719	1.1
67.05499	31.6
69.03412	3.1
69.07065	39.3
69.56097	1.9
69.56502	8.7
70.04078	1.4
71.04983	2.4
71.08623	2.6
79.05487	10.6
81.07051	93.8
83.04957	3.8
83.08608	18.9
85.06537	3.4
85.10147	1.1
91.05466	5.0
93.07037	19.1
95.04957	2.2
95.08600	100.0
97.06511	3.6
97.10162	13.2
99.08096	1.8
103.72137	1.1
105.07024	8.3
107.04970	1.4
107.08593	17.7
109.06505	12.0
109.10147	54.6
109.30538	1.1
111.08082	4.0
111.11716	9.5
113.06018	2.1
119.08561	8.4
121.02847	4.3
121.06461	2.8
121.10141	14.3
123.08047	1.7
123.11684	29.9
125.09615	2.9
125.13274	2.4
129.09103	1.9
131.08527	3.5
133.10118	6.8
135.07997	1.2
135.11653	9.8
137.09596	3.2
137.13292	7.0
139.03934	3.4
139.11157	4.8
139.68723	1.1
141.09097	1.8
143.10687	2.4
145.10098	4.0
147.11650	5.1
149.13239	5.9
151.11157	5.3
151.14832	6.9
153.12755	1.2
159.11664	4.8
161.13239	6.4
162.75266	1.1
163.11157	4.3
163.14792	3.7
165.12752	2.6
165.16364	2.3
169.12195	2.2
173.13251	3.4
175.14807	4.6
177.12682	2.3
177.16353	3.3
179.14348	2.2
183.13885	1.9
187.14764	1.4
189.16396	3.1
191.17914	2.0
193.15880	2.7
195.13771	1.5
197.15308	1.2
207.17415	2.7
209.15306	2.3
210.41643	1.2
215.18024	3.5
219.17412	1.4
223.16917	2.0
233.18971	2.0
237.18388	2.9
247.80862	1.1
251.20049	2.3
271.24109	6.1
273.08408	1.1
289.17834	1.3
289.21637	1.1
289.25201	8.3
307.09543	3.7
307.22952	1.1
307.26270	19.4
315.44406	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2629
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
55.05507	10.6
57.07073	100.0
59.04990	3.0
60.46870	1.8
64.33972	1.5
65.86238	1.5
67.05519	9.2
69.03412	2.6
69.07069	9.5
70.06583	3.2
71.60088	1.7
71.60452	1.9
79.05478	6.7
81.07055	30.7
83.04966	2.1
83.08605	5.5
85.06543	86.2
91.05447	10.7
91.31792	1.6
93.07044	29.7
95.04940	3.0
95.08610	37.1
97.06523	4.1
97.10155	5.9
99.08080	4.9
99.60320	1.9
103.84489	1.7
105.07019	24.5
107.08596	35.1
109.06499	4.3
109.10138	15.1
111.08083	3.1
117.07023	1.6
119.08582	34.2
121.02822	2.2
121.10139	13.2
123.08136	2.2
123.11712	8.9
125.09654	1.6
126.44633	1.8
127.11169	4.3
128.32837	1.9
131.08553	5.2
133.10120	17.6
135.11700	4.8
137.05959	14.6
137.13264	3.0
138.06290	9.1
139.03926	10.2
141.12715	2.1
145.10135	11.2
147.11678	11.4
149.13251	17.6
151.11169	3.9
155.00996	2.1
155.14363	8.0
159.11659	17.4
161.13231	4.0
162.02498	1.7
164.19373	1.7
173.13240	4.8
187.14780	2.4
189.16364	44.3
197.19002	11.4
200.42239	1.7
215.17978	7.9
261.03195	3.6
261.22235	2.9
271.24197	10.3
282.37833	1.5
289.17987	2.7
289.25211	19.6
307.22888	3.6
307.26239	22.9
321.86490	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2626
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
51.02411	2.3
55.05498	11.2
57.07073	100.0
67.05501	10.8
69.07073	13.1
70.83727	2.3
73.38767	2.3
78.88421	2.0
79.05494	6.3
81.07053	33.1
83.08575	4.7
85.06537	85.8
89.89645	2.1
91.05481	11.3
93.07047	30.1
95.08035	3.8
95.08600	36.6
97.06519	5.6
97.10139	5.8
98.20724	5.3
98.98450	4.1
105.07028	23.4
107.08582	30.7
109.06544	2.8
109.10159	17.5
116.60065	2.2
117.06982	3.3
119.08577	31.0
121.02899	2.9
121.10146	14.6
123.11679	10.2
131.08560	3.5
133.10120	15.4
135.11717	5.6
137.09560	2.3
137.13222	3.3
139.03883	4.0
145.10092	11.9
147.11658	7.7
149.13223	19.4
151.11177	2.8
155.14291	7.8
159.11682	16.2
173.13266	3.2
187.14752	3.3
189.16376	49.6
197.19022	11.3
214.27292	2.5
215.17894	6.4
229.17567	2.5
261.22095	2.6
271.24191	8.8
275.20007	8.0
285.10083	5.6
289.25323	12.4
307.09616	2.4
307.22867	3.2
307.26263	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2628
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
53.03941	2.8
55.01867	4.1
55.05504	20.3
56.96562	3.1
57.03447	2.4
57.07063	3.8
58.29371	2.3
58.99588	3.5
59.04988	3.3
65.03928	2.0
67.05490	16.2
69.07052	12.3
69.57803	12.8
69.58206	4.8
70.85208	2.0
71.08651	3.0
74.00557	2.3
76.02225	15.9
78.04163	2.5
79.05493	10.5
80.40466	1.9
81.07049	64.3
83.04973	100.0
83.08615	6.2
84.04510	4.6
89.74097	2.1
91.05475	7.2
93.07047	15.7
95.04957	6.1
95.08602	48.4
95.62120	2.2
96.08940	2.4
97.06533	6.3
97.10167	6.1
98.20758	4.5
98.98464	5.4
105.07037	10.7
107.04935	2.5
107.08589	17.2
109.06496	3.5
109.10147	25.4
110.07429	2.0
111.11717	3.5
116.01688	2.4
119.08574	12.3
121.02855	2.5
121.10139	9.5
122.03683	2.7
123.07977	3.0
123.11701	7.5
125.09619	6.9
131.08575	4.5
133.10132	8.5
135.11731	11.2
137.05960	44.1
137.13254	6.1
138.06319	36.4
139.03903	12.3
139.11182	6.9
145.10078	4.4
147.11659	4.8
149.09708	2.3
149.13261	5.3
153.12761	6.0
159.11673	6.0
161.13210	2.9
162.02211	6.7
163.14877	3.0
173.13257	7.5
175.14815	3.0
179.04857	8.1
187.14709	4.1
189.16377	8.7
191.17915	11.7
203.12747	3.1
215.17949	4.8
229.19618	5.7
249.08914	2.3
271.24112	19.4
275.20154	9.9
289.18198	2.7
289.21991	4.0
289.25235	19.8
307.22519	7.9
308.09158	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86932	1.5
53.03944	18.0
55.01628	2.1
55.01870	32.3
55.05505	22.0
57.03413	4.7
59.04962	1.3
60.54695	1.3
65.03921	2.4
67.05502	56.1
67.75574	1.3
69.03417	4.8
69.07064	45.2
70.78335	5.1
71.04969	3.3
79.05492	46.6
81.03412	32.7
81.07050	95.9
82.07373	2.1
83.04979	12.1
83.08620	11.7
85.06538	6.4
91.05478	46.6
93.07037	46.9
95.01317	5.9
95.04961	17.3
95.07989	2.2
95.08596	47.3
97.06525	67.4
97.10161	6.0
99.08054	2.2
103.05499	2.0
105.07026	62.9
106.07319	1.9
107.04221	1.0
107.04944	26.0
107.08590	26.9
109.06501	16.6
109.10146	8.9
111.08074	5.4
115.65479	1.5
117.07005	19.4
118.95201	1.4
119.04914	1.7
119.08575	38.6
121.02901	1.8
121.06471	6.0
121.10145	10.7
123.04423	4.8
123.08080	10.5
123.11724	3.0
125.09602	5.7
129.07013	3.8
131.08549	22.4
133.06544	1.8
133.10121	42.6
135.08076	6.3
135.11674	19.0
136.12048	1.7
137.05943	2.1
137.09601	4.9
139.03864	1.9
139.07549	3.4
141.06947	3.0
143.08530	3.2
145.06499	4.7
145.10117	17.3
147.11676	17.5
149.08536	2.1
149.09599	13.4
149.13228	12.4
151.11169	4.2
155.08482	1.7
157.10057	3.2
159.11685	24.0
161.09624	1.5
161.13242	6.3
163.11165	7.2
165.09093	4.0
165.12740	2.0
169.10139	6.0
171.11693	2.9
173.13252	5.7
175.11212	1.8
177.12732	18.2
179.14297	20.8
183.11653	3.0
185.13138	2.3
185.23785	1.4
187.11156	13.3
191.61263	1.4
197.13283	2.7
201.16458	2.0
203.14275	1.5
205.12207	6.0
209.15363	5.6
219.13791	2.2
219.17455	14.7
229.19460	3.9
239.17876	4.3
247.20566	5.7
257.18997	11.3
275.20035	100.0
276.20316	6.5
289.21332	1.9
307.22659	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	307.2264
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03947	3.7
53.82351	1.2
55.01862	4.7
55.05510	11.8
57.03428	2.1
59.04979	1.3
60.32230	1.1
67.05502	23.8
68.89931	1.0
69.07071	9.7
70.04066	1.3
70.34003	4.1
71.04973	2.8
79.05493	26.8
81.03419	4.3
81.07053	100.0
82.07397	1.5
83.04984	3.7
83.08606	6.3
85.06543	1.9
91.05475	14.1
93.07030	16.9
95.04960	10.3
95.08605	15.5
97.06519	5.8
97.10219	1.7
98.21408	1.6
98.98454	1.7
105.07024	16.6
107.04956	4.7
107.08580	12.5
109.06512	51.2
109.07262	2.6
109.10162	7.5
111.08071	2.1
117.07009	4.5
119.08582	11.5
121.02843	2.1
121.06493	3.5
121.10129	8.7
123.08044	7.0
123.11703	3.5
125.09692	1.3
129.07043	2.1
131.08574	5.1
133.10139	11.0
135.08060	3.2
135.11682	4.6
137.06026	2.5
137.09624	4.4
139.03918	2.9
143.08519	1.6
145.10107	5.9
147.08041	1.2
147.11670	10.3
149.09641	3.8
149.13242	5.8
151.11200	2.5
157.10179	2.7
159.11690	4.7
161.13272	2.2
163.11198	5.0
163.14857	3.5
165.12747	3.6
173.13274	4.8
175.11223	3.3
177.12770	2.1
187.14769	1.5
189.12712	1.7
191.14336	2.1
193.12323	3.5
201.12733	1.4
205.15967	1.3
219.13644	1.3
229.19502	2.4
239.17958	1.8
245.88965	1.2
247.20621	5.6
250.32243	1.4
257.18994	4.9
275.20044	54.5
276.20435	3.0
289.21561	1.5
307.22653	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	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42632	3.0
53.03931	6.0
55.01843	9.6
55.05504	28.6
56.49669	3.4
56.96596	3.7
57.07068	6.1
59.05002	3.4
67.05502	23.7
69.07054	14.7
71.60141	2.8
71.60553	4.1
76.02224	4.1
77.84221	3.2
78.31455	3.6
79.05492	47.1
81.07047	29.5
81.75659	3.3
83.05000	5.3
83.08605	15.3
84.19512	3.8
85.06525	4.9
91.05461	33.1
93.07041	26.5
93.67331	3.6
94.25477	3.5
95.04941	5.9
95.08604	17.8
97.06535	12.1
97.10165	25.7
98.98465	5.0
105.07037	30.5
105.07634	4.8
107.04966	10.5
107.08592	100.0
108.08962	5.3
109.06542	7.8
109.10146	13.5
111.08050	3.6
117.07021	7.8
119.08595	14.4
121.02881	5.4
121.10141	13.5
122.56174	3.3
123.11682	6.0
125.09641	23.1
131.08545	9.5
133.10110	22.8
135.08038	12.8
135.11703	4.9
137.05984	12.3
138.06311	12.5
139.03873	25.4
145.10104	16.1
147.11687	10.3
149.09605	18.3
153.09068	6.1
157.10204	4.6
159.11668	6.6
161.09634	3.9
161.13251	3.9
163.11186	5.4
169.10107	3.5
171.11629	4.2
173.13332	6.1
179.04738	3.2
203.12816	26.4
239.18097	6.5
257.18973	9.1
261.02991	5.5
275.20068	58.6
289.18347	4.4
289.21600	18.4
307.09668	4.3
307.22757	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	307.2265
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03942	7.2
55.01861	10.2
55.05515	30.2
57.03431	4.1
57.07076	6.0
61.58288	3.1
67.05501	61.9
69.03410	5.1
69.07069	29.5
70.04064	3.3
71.04981	4.6
71.19019	6.9
72.74123	3.6
74.63770	3.5
75.13032	3.1
76.02236	8.3
79.05499	44.9
81.03408	9.8
81.07054	100.0
82.32716	3.5
83.04970	9.5
83.08612	13.0
84.04483	5.5
85.06532	6.0
91.05470	39.9
93.07039	48.4
95.04958	35.9
95.08601	43.6
97.06522	15.4
97.10187	5.7
99.04403	3.7
103.55154	3.4
105.07023	52.8
107.04942	7.8
107.08605	30.7
109.06516	26.8
109.10155	25.0
111.08073	7.5
117.06993	15.4
119.08573	48.4
121.02886	3.6
121.06511	6.4
121.10128	18.5
123.08045	19.9
123.11687	10.3
125.09636	3.5
129.07045	4.8
131.08575	23.9
133.06508	4.3
133.10121	35.3
135.08035	12.0
135.11678	10.7
137.05945	10.0
137.09607	12.5
138.06271	6.9
139.03917	10.4
145.10126	17.6
147.08006	4.2
147.11653	22.5
149.09616	12.5
149.13255	6.3
151.11153	4.7
157.10176	4.6
159.08000	4.4
159.11642	17.6
161.13246	7.6
163.11165	10.3
165.12703	5.2
173.13278	11.0
179.04865	6.5
183.11702	5.2
185.13335	5.3
201.12617	3.6
229.19411	6.9
247.20598	9.6
249.51967	3.7
257.18948	12.8
261.03290	3.6
275.20047	97.7
276.20468	5.6
289.21564	18.3
289.95743	4.1
307.09317	3.6
307.22699	42.3
308.23001	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0809
Annotation	Leucocyanidin
Peak:m/z	Relative Intensity
51.02387	0.9
65.03927	1.1
67.01865	5.7
67.05483	1.6
68.99782	7.3
70.66245	1.6
70.66639	1.1
77.25786	0.7
81.03410	1.5
91.05469	2.9
93.03342	1.0
97.02877	0.7
102.91969	0.8
105.21995	0.7
107.04963	1.3
109.02868	2.9
111.04430	2.8
113.02389	0.7
119.04935	11.9
123.04420	60.4
124.04692	1.9
127.03889	2.9
131.04895	1.1
135.04413	2.6
137.02327	5.9
137.05960	0.9
139.03894	41.9
140.04207	1.5
143.04936	0.9
147.04396	39.3
148.04759	1.0
151.03856	1.2
155.03381	100.0
156.03714	4.9
157.03922	1.2
160.34128	0.7
161.05978	1.3
163.03879	5.1
164.26595	0.7
165.05472	17.9
166.05882	0.8
177.05460	4.1
177.98447	0.9
187.03915	1.1
193.72601	0.7
197.06010	1.1
201.05457	1.6
203.07010	1.2
205.04985	0.8
229.04968	1.6
243.06410	1.2
247.06094	1.0
271.05750	1.0
283.92484	0.8
289.07043	5.5
290.07440	0.7
307.08041	2.0
308.13168	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22107	0.3
62.24909	0.4
71.60143	0.4
84.39426	0.3
119.01893	0.6
136.93384	0.4
143.08096	0.5
145.08658	0.4
161.02904	0.4
165.68822	0.3
205.05673	0.8
217.05551	0.4
220.04840	0.4
235.79074	0.4
307.09967	100.0
308.10406	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02713	0.5
55.01860	1.3
56.05033	2.5
58.06601	4.1
60.17550	0.5
65.03930	0.7
67.05492	0.6
69.03422	0.7
69.07069	0.6
69.45185	0.5
70.12844	2.3
71.07439	0.5
72.57819	0.5
79.05511	0.6
79.39479	0.5
81.03398	0.6
83.04989	1.0
84.04496	23.1
84.08138	100.0
85.01084	0.5
85.02879	1.2
85.08464	2.1
86.06057	6.5
86.09690	5.9
88.03979	1.9
93.03407	0.9
95.04974	0.8
97.02910	0.8
99.09189	0.7
107.04948	1.1
111.04431	0.9
121.02839	0.5
123.04412	2.5
127.01534	0.5
127.03896	1.1
130.08626	1.2
131.04965	0.6
132.75906	0.5
133.02869	1.2
135.04420	2.0
139.03893	74.8
140.04240	2.2
141.13850	7.2
146.06003	21.4
149.05939	0.7
151.03911	3.2
153.01845	0.8
153.05440	0.9
155.03410	2.3
159.04420	1.7
163.03909	7.9
165.05534	0.5
169.04950	1.8
169.13370	10.7
177.05452	1.7
181.04979	3.4
195.06479	2.5
198.11249	1.7
205.04909	0.8
206.58496	0.5
215.13893	43.3
216.14270	1.1
223.05916	0.9
243.17029	54.1
244.17276	1.9
262.11069	3.6
289.07138	0.6
307.08014	1.2
307.16830	24.2
308.11356	1.1
308.17133	0.9
317.30487	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0809
Annotation	(+)-Gallocatechin
Peak:m/z	Relative Intensity
52.29856	0.1
53.00304	0.5
55.01868	0.6
55.02114	0.1
62.65454	0.1
65.03936	1.0
66.95741	0.1
67.05491	0.6
68.99776	1.0
69.81529	0.9
79.05479	0.4
83.04961	0.4
89.03874	0.2
89.69978	0.1
93.03398	0.9
95.04966	1.6
95.83539	0.1
97.02847	0.2
98.20805	0.2
99.04459	0.2
104.31918	0.1
107.04943	1.3
111.04416	1.2
117.03395	0.4
121.02846	1.1
121.06482	0.2
123.04420	1.2
125.37841	0.1
127.03908	0.6
131.04922	0.9
133.02838	1.5
135.04396	2.7
139.03889	100.0
140.04210	2.7
145.02844	0.5
147.04408	0.4
149.05994	0.8
151.03899	3.9
153.01813	0.6
153.05443	1.2
158.99709	0.2
159.04408	2.9
163.03893	9.8
164.04259	0.4
167.06984	0.4
169.04924	2.3
175.03891	0.2
177.04045	0.3
177.05469	3.4
179.17261	0.2
181.04936	5.5
182.05310	0.2
195.06529	3.8
201.05424	0.3
205.04939	0.7
219.06450	0.2
223.05994	1.3
229.04932	0.3
247.06039	0.5
265.07153	0.2
270.57892	0.2
289.07114	0.9
307.08157	1.1
320.31720	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.081
Annotation	(+)-Gallocatechin
Peak:m/z	Relative Intensity
55.01861	1.6
55.05492	0.6
64.25281	0.6
65.03933	1.2
67.01857	2.8
67.05502	1.5
67.09853	0.7
68.99790	5.3
69.03413	1.0
70.06580	1.1
71.60960	0.9
71.61383	1.1
81.03427	2.0
83.04971	0.7
87.80549	0.7
91.05469	3.3
93.03405	0.8
95.04958	1.7
97.02876	1.3
102.74664	0.8
105.03378	1.4
107.04924	0.8
109.02879	2.7
111.04424	1.8
115.05453	0.9
119.04954	10.9
120.05283	0.8
123.04422	55.8
124.04781	2.3
127.03938	3.7
130.06514	24.0
131.04947	1.3
132.04437	6.0
133.02843	0.9
135.04402	2.7
137.02336	7.1
137.05930	0.8
137.78152	0.7
139.03894	45.5
140.04245	1.0
145.06468	0.9
146.06044	1.1
147.04404	33.8
149.05989	1.4
151.03891	2.2
153.05379	0.7
155.03383	100.0
156.03722	4.5
156.35385	0.7
157.06380	1.9
157.07608	20.6
158.06017	26.9
159.04396	1.6
159.06367	0.9
161.05949	1.3
163.03912	3.7
165.05463	20.2
165.43063	0.8
169.06450	0.9
170.47408	0.8
171.08066	0.7
173.05881	1.5
173.07193	1.4
175.08693	12.9
177.05490	3.6
181.04912	1.5
184.03091	0.7
187.03839	1.0
193.69861	0.8
201.05254	1.1
203.08139	1.2
205.08524	1.0
207.06627	0.9
221.09340	1.0
229.04839	0.8
243.07846	3.4
247.06723	0.7
261.08728	11.8
262.08859	0.8
271.06006	1.1
289.07431	7.4
289.10901	1.1
307.08289	3.2
307.12555	1.1
307.16650	1.0
307.30420	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.081
Annotation	(+)-Gallocatechin
Peak:m/z	Relative Intensity
53.00300	0.5
55.01871	0.7
56.32817	0.2
65.03926	0.9
67.05489	0.9
68.99778	1.0
70.81742	0.2
71.00690	0.6
75.73979	0.2
76.02184	0.2
79.05490	0.7
83.04980	0.7
85.02900	0.3
93.03399	0.8
95.04983	1.1
97.02872	0.6
101.27438	0.3
107.04955	1.4
108.57021	0.2
109.02917	0.3
111.00787	0.3
111.04427	2.0
117.03342	0.3
121.02856	1.1
123.04405	1.5
127.03901	0.7
127.07526	0.3
131.04887	1.3
133.02852	1.2
135.04404	2.7
139.03891	100.0
140.04251	1.8
143.30682	0.2
145.02869	0.4
145.05240	0.2
147.04414	0.3
149.05980	0.6
151.03886	4.7
152.07083	0.2
153.01804	0.5
153.05434	1.2
155.03349	0.5
155.34113	0.2
155.41310	0.2
159.04419	2.4
163.02530	0.5
163.03899	8.6
167.07056	0.4
169.04964	2.7
177.05466	3.4
181.04932	5.6
189.67636	0.2
195.06522	2.6
205.05006	1.0
223.06000	1.3
247.06070	0.6
275.81470	0.2
281.06949	0.2
289.07028	1.0
307.08209	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.4
55.01868	0.6
56.45340	0.2
65.03921	1.1
67.05497	0.9
68.99783	0.9
71.04612	0.5
71.04992	0.5
71.31683	0.2
81.03456	0.2
83.04971	0.5
84.77261	0.2
85.02930	0.2
87.73631	0.2
93.03373	0.6
95.04958	1.6
107.04947	0.9
111.00801	0.3
111.04420	1.5
117.03305	0.2
121.02865	0.9
121.06528	0.2
123.04467	1.3
127.03910	0.7
131.04916	1.0
133.02831	1.5
135.04420	2.8
138.21828	0.2
139.03894	100.0
140.04240	2.4
145.02805	0.7
149.05989	1.1
151.03903	4.3
152.04163	0.3
153.01836	0.7
153.05428	0.9
155.03395	0.4
159.04413	2.8
161.05939	0.3
163.03906	10.3
164.04254	0.3
167.07045	0.5
169.04961	1.9
173.05927	0.3
177.05458	3.4
181.04965	5.5
195.06517	3.6
205.04970	0.9
223.05995	1.7
223.16034	0.3
247.06049	0.6
289.07059	0.9
291.30469	0.3
307.07947	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95859	0.4
58.02957	0.4
69.07056	1.2
70.07660	1.8
79.05488	0.8
81.07026	0.8
91.05466	0.4
94.04159	1.4
107.08575	0.8
109.10168	0.5
114.09166	0.6
122.03645	5.8
133.10100	0.6
135.11671	0.9
137.05968	100.0
138.06314	1.0
151.11179	0.5
153.12666	0.6
170.15395	2.0
182.15411	3.4
260.01151	0.3
306.20636	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.01863	0.8
55.05510	6.4
56.05029	0.2
57.02383	0.2
57.07072	0.9
65.03932	0.5
67.05502	8.2
67.67818	0.2
69.07063	7.5
70.06590	0.3
71.60201	0.5
72.04517	0.4
72.39233	0.2
79.05494	2.3
81.06580	0.4
81.07053	7.4
83.04948	0.2
83.08611	2.3
85.05280	1.9
86.06046	1.0
91.05470	1.3
93.07050	1.7
95.04942	0.4
95.08046	0.4
95.08603	4.7
96.08103	0.3
97.06542	0.6
97.10169	1.0
98.06050	12.9
105.07014	1.0
107.08588	1.7
107.78188	0.2
108.08153	0.2
109.06502	1.3
109.10160	1.9
110.09663	0.4
111.11710	0.2
112.07610	1.9
119.08562	0.8
121.10139	0.7
122.03659	0.3
122.09659	0.3
123.11737	0.4
124.07558	0.2
125.09639	0.3
126.09135	0.7
131.08542	0.4
133.10117	0.5
134.03036	0.2
135.11743	0.5
137.05963	5.5
138.09160	0.4
139.03865	0.5
140.10689	0.7
145.10023	0.3
147.11722	0.3
149.09608	0.3
152.10695	0.5
154.12262	0.6
157.10179	0.3
159.11656	0.3
163.11279	0.3
165.12671	0.3
168.13817	0.4
173.13303	0.3
180.13818	0.3
182.15398	0.5
190.81834	0.2
196.16914	0.7
203.12735	0.2
208.16971	0.3
210.18507	0.2
222.18492	0.7
227.96732	0.2
236.20120	0.7
250.21577	0.3
251.16467	0.3
275.20096	1.0
295.50620	0.2
306.27893	100.0
307.22751	1.8
307.28250	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	307.0808
Annotation	(+)-Gallocatechin
Peak:m/z	Relative Intensity
53.00293	0.8
55.01857	0.8
58.79510	0.3
63.53698	0.3
65.03925	0.9
67.05491	0.7
68.99766	1.0
69.03409	0.8
71.30727	0.5
75.05765	0.3
83.04953	0.4
84.04507	0.3
85.02889	1.1
93.03382	0.9
93.15049	0.3
95.04963	1.3
97.02863	0.8
98.97569	0.3
107.04946	1.2
111.04417	1.4
116.98549	0.3
119.01900	0.8
121.02847	0.9
123.04423	1.3
127.03935	1.4
131.04875	1.3
133.02834	1.2
135.04399	2.0
139.03888	100.0
140.04224	2.5
143.01886	0.3
145.04915	0.6
146.05971	0.8
149.05988	1.0
151.03893	3.8
153.01846	0.6
153.05449	1.1
159.04405	2.5
163.03886	9.2
164.04245	0.3
166.50052	0.3
169.04974	2.0
173.02975	0.5
177.05490	2.9
181.04944	6.0
186.07587	0.3
195.06564	2.1
205.05132	0.9
218.58156	0.3
219.02016	0.3
223.06029	1.1
247.06136	0.6
251.69830	0.3
265.07309	0.4
289.07150	1.0
307.10382	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	305.2474
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03956	0.6
53.97588	0.6
55.05508	14.0
55.29225	0.6
57.07072	5.6
61.78645	0.7
67.05500	2.8
69.03397	0.8
69.07069	2.8
70.27583	3.0
79.05495	1.5
81.07054	10.9
83.04977	100.0
83.08620	0.8
84.05286	1.4
85.06539	6.2
89.42943	0.7
91.05475	2.5
93.07040	5.5
94.04171	0.8
95.04953	6.9
95.08600	11.4
95.09159	0.9
97.06525	0.7
97.10162	3.2
101.97778	0.6
105.07037	7.8
107.08598	5.6
109.06525	1.7
109.10144	6.0
111.08099	0.8
112.22798	0.6
117.07002	0.7
119.08571	9.9
121.10150	2.9
122.03648	1.9
123.11724	1.1
131.08514	0.9
133.10139	4.1
135.08095	1.0
135.11700	2.1
137.05974	35.9
137.13266	1.9
145.10136	2.0
147.11702	3.1
149.13208	1.4
151.11189	1.7
153.12794	1.7
157.10127	1.3
159.11713	2.2
161.13261	0.8
173.13287	1.5
175.14862	0.9
177.47000	0.7
182.15398	0.8
187.14853	3.1
189.16389	12.8
190.16815	0.7
195.17450	8.1
213.16394	1.6
229.19476	1.4
245.30771	0.7
269.22491	1.7
287.23651	8.0
305.24811	1.8
305.28354	0.7
306.20685	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2471
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
53.03934	3.6
55.05262	1.9
55.05508	30.7
57.03419	1.9
57.07081	9.8
67.05166	2.2
67.05501	28.0
69.03435	2.5
69.07066	40.9
71.04977	5.7
71.08620	1.5
79.05064	2.3
79.05490	31.1
81.07051	100.0
82.07379	1.5
83.04985	7.1
83.08616	17.0
85.06519	4.5
86.91958	1.3
91.05472	20.8
93.07037	97.2
95.04962	6.9
95.08604	78.7
97.06525	10.3
97.10164	19.6
98.21510	3.0
99.08065	3.9
100.04680	1.2
105.07024	34.6
107.08587	98.5
109.06503	9.1
109.10149	42.6
111.08086	5.4
111.11694	4.9
116.55465	1.3
117.06989	2.2
119.07793	2.6
119.08579	33.4
121.10139	66.6
122.10487	1.8
123.08035	4.7
123.11694	34.7
125.09648	8.5
127.03926	1.5
129.09067	1.4
131.08566	5.7
133.10126	25.2
134.10522	1.3
135.11679	42.3
136.12027	1.3
137.05898	1.4
137.09604	4.0
137.13246	5.9
139.11174	3.6
143.10591	1.5
145.10135	7.9
147.11668	26.4
148.11998	1.4
149.09624	2.7
149.13252	95.7
150.13605	2.4
151.11189	8.8
153.12764	2.4
157.10092	2.8
158.73062	1.5
159.11655	9.3
161.13243	14.7
163.11130	2.6
163.14812	20.4
165.12730	5.8
171.11606	1.7
173.13231	6.4
175.14835	9.4
177.12701	3.4
177.16412	9.2
179.14331	1.5
185.22527	1.3
187.14796	3.2
189.16350	11.3
191.14241	3.4
191.17970	2.2
193.15811	3.1
195.13754	3.3
195.17393	2.1
199.14857	1.6
205.15953	2.8
207.17583	2.0
209.15375	4.9
213.16360	3.3
223.17001	2.9
227.17973	2.0
235.16953	2.4
243.21101	2.0
249.18448	3.8
259.24149	2.8
261.22202	1.6
269.22623	6.1
277.25281	5.9
287.23654	12.1
305.05554	3.1
305.24734	95.3
306.25174	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	305.2472
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
52.68612	1.1
53.03924	3.2
55.01855	1.1
55.05507	31.2
57.03423	1.9
57.07060	5.5
59.04985	1.1
62.29805	1.0
65.03916	2.0
67.05502	28.7
69.03410	1.5
69.07062	40.6
69.83324	2.4
69.83736	5.0
71.04964	3.2
79.05061	1.5
79.05485	26.7
81.07050	79.9
83.04983	5.3
83.08611	14.9
85.06512	2.7
91.05463	17.6
93.07036	87.4
94.07384	2.5
95.04967	7.0
95.08598	69.0
97.06504	8.9
97.10155	17.6
99.04479	1.3
99.08044	2.3
105.07025	30.4
107.08586	91.1
108.08973	1.3
109.06492	5.6
109.10144	39.6
111.08076	7.1
111.11687	3.5
117.07046	1.5
119.08571	29.8
121.10133	55.2
122.10506	1.3
123.08046	2.8
123.11697	22.4
125.09634	6.1
131.08553	4.7
133.10121	19.6
135.11678	38.3
137.09634	2.9
137.13235	4.6
139.11159	2.7
143.10690	1.3
145.10103	6.1
147.10515	1.2
147.11681	23.4
149.13243	100.0
150.13615	2.0
151.11160	4.3
153.12726	2.0
156.33562	1.0
157.10095	1.4
159.11673	8.1
161.13248	12.7
163.11227	2.2
163.14810	17.4
165.12773	5.1
169.12180	1.2
173.13258	3.9
175.14816	6.6
177.12767	4.0
177.16324	5.2
181.12204	1.5
185.13388	1.3
187.14761	2.6
189.16336	7.9
191.14290	1.9
191.17966	3.0
193.15924	3.5
195.13792	2.8
195.17493	1.5
199.14665	1.8
201.16312	1.5
203.14337	1.1
205.15851	2.1
207.17474	1.8
209.15370	3.3
213.16373	2.4
219.24316	1.0
221.15425	1.1
223.17050	1.5
227.17819	1.2
231.17424	2.1
235.16895	2.1
243.20819	1.2
249.18533	3.6
259.24268	2.2
261.22058	2.2
263.20059	1.9
269.22647	4.8
277.25293	5.1
287.23685	10.9
287.34253	1.1
305.05438	1.2
305.24725	79.3
306.25098	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	305.2471
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
51.83147	2.3
55.05505	23.7
57.07071	14.8
58.54387	1.9
66.49179	1.7
67.05508	14.6
67.65433	1.6
69.07056	8.8
71.12602	2.5
71.12943	3.9
71.20747	1.9
79.05482	14.3
81.07052	38.7
83.04976	100.0
83.08611	6.2
85.06532	11.8
85.50585	2.1
91.05472	7.9
91.73521	1.9
93.07040	42.2
95.04951	3.9
95.08599	35.8
97.10160	6.6
98.72234	1.8
105.07024	21.7
107.08595	40.3
109.06531	3.3
109.10140	26.4
111.08064	2.9
115.02770	1.9
119.08580	18.2
121.10122	29.4
123.08067	2.8
123.11705	11.4
127.03870	1.9
131.08513	3.0
131.60361	2.1
133.10124	25.2
135.11681	22.8
137.09586	2.3
137.13246	2.5
139.11142	3.8
145.10141	4.1
147.11673	7.1
149.13252	31.9
151.11142	4.2
157.10155	3.2
159.11667	5.9
161.13182	2.4
163.14828	9.8
177.16454	2.6
185.13356	2.4
187.14799	5.6
189.16377	12.8
195.17436	8.6
203.17909	3.0
216.85364	2.2
224.08066	2.6
230.27795	1.9
259.24155	3.4
269.22659	3.9
277.25134	2.8
287.23621	11.1
305.21469	2.8
305.24756	23.3
305.28238	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	305.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
54.70870	0.3
54.71320	0.3
55.01852	1.0
56.96564	2.8
57.03437	1.8
61.02917	3.2
69.03429	6.1
70.79559	1.0
70.86114	0.3
70.98110	0.4
71.04965	0.9
71.07937	0.3
73.02893	1.0
81.03423	2.5
85.02901	17.8
87.04463	0.7
87.38259	0.4
88.99183	0.4
91.03927	1.1
97.02888	29.8
98.97546	1.9
99.04482	0.5
108.82704	0.4
109.02902	1.7
116.98616	1.7
119.01916	0.5
123.04431	0.8
125.02345	100.0
126.02711	0.9
127.03900	4.6
128.98604	0.9
134.99652	1.1
139.03894	1.6
141.01161	0.3
141.31256	0.3
141.50046	0.3
142.01541	0.4
143.03386	83.9
145.03456	0.5
145.04948	3.3
146.99609	0.8
149.02338	0.7
151.03867	0.5
153.01817	1.2
161.06622	0.6
188.97128	0.6
202.98557	0.5
203.07574	0.6
206.98044	0.5
215.07709	0.4
219.01735	0.6
221.04993	0.6
230.98074	0.7
234.98969	0.5
235.01286	0.4
237.02945	0.6
244.99698	1.3
254.99005	0.4
259.06012	0.6
263.00681	2.8
295.07111	0.8
305.06967	0.7
305.12067	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	305.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62489	0.6
53.03938	1.0
61.87184	0.7
65.03932	0.8
67.05489	1.2
69.03394	0.8
69.05303	0.6
69.07034	0.9
71.61497	0.8
71.61861	0.8
77.80695	0.7
79.05458	1.1
81.07044	1.2
83.01293	0.7
85.02886	1.1
91.05473	2.5
93.05756	0.7
93.07030	3.3
95.04959	2.0
95.08594	1.0
96.08128	1.0
97.06545	0.7
107.08611	0.8
108.08103	1.7
119.27901	0.7
122.06056	3.9
124.07591	10.1
125.70651	0.6
126.05512	1.4
136.07570	100.0
137.05972	1.8
138.09149	1.0
139.03880	0.9
140.07057	1.2
142.12297	1.0
150.05530	0.7
151.03946	0.8
152.07054	18.3
153.01845	3.1
164.07057	77.5
165.07430	1.0
170.08122	5.4
182.08115	16.2
206.20874	0.7
228.10997	1.4
241.11667	1.4
257.11169	4.0
287.14276	6.1
305.02161	1.2
305.05557	8.8
305.12787	1.1
305.18015	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1593
Annotation	Creoside I
Peak:m/z	Relative Intensity
51.84678	1.6
53.03934	4.0
53.44638	2.0
55.01865	4.2
55.05507	7.8
57.03424	6.3
57.07060	4.1
61.02910	5.0
63.23877	1.8
65.03944	3.8
66.03616	1.7
67.01851	4.0
67.05491	3.3
68.55215	1.6
68.99774	4.5
69.03427	15.3
69.07062	2.2
71.04986	36.5
71.60149	1.4
71.60560	2.3
72.55383	1.7
73.06556	4.5
79.05496	4.4
81.03406	8.3
81.07054	5.9
83.04988	8.3
83.08616	5.1
85.02898	35.7
85.06532	14.5
91.05480	3.9
93.07010	2.3
95.04977	15.6
97.02898	14.0
97.10155	16.3
99.04452	4.0
105.07022	2.3
107.04886	1.9
107.08588	51.3
109.02883	7.7
109.06552	3.7
111.04419	6.1
119.04924	1.8
121.02875	3.1
123.04422	45.4
124.07681	1.8
125.09620	93.6
127.03906	38.5
127.04797	2.7
133.02892	5.0
135.04434	8.3
136.07559	5.5
137.02344	7.5
137.05977	2.1
137.09625	4.1
139.03900	49.0
139.05014	2.6
140.04266	1.9
140.07089	1.9
143.03395	2.2
143.10667	100.0
145.04974	7.3
147.04396	3.3
149.02339	23.8
149.05957	1.8
150.03073	1.9
151.03889	18.2
153.01820	41.0
154.02193	1.8
155.03386	27.1
157.06439	3.5
161.02409	1.8
163.03896	7.3
164.06992	1.8
167.03329	4.4
167.10609	10.9
171.02870	7.0
175.03925	4.2
179.03365	17.6
179.10699	2.5
185.05968	3.9
195.02925	6.7
203.03424	6.6
209.11734	2.8
213.05499	8.5
231.06467	17.8
241.04985	6.0
241.13319	1.8
245.04411	1.9
251.12740	2.4
259.05966	24.8
260.06439	1.7
269.13104	2.2
277.07101	2.6
287.05496	17.7
287.10843	1.9
287.14340	3.3
305.02121	6.2
305.06479	23.7
305.09488	3.0
305.14664	9.6
306.06595	2.2
329.03229	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0653
Annotation	Securixanthone A
Peak:m/z	Relative Intensity
52.28997	0.4
67.05508	0.7
68.05554	0.4
70.74674	1.4
81.03389	0.5
81.07063	0.4
85.02901	0.7
87.15781	0.4
91.05475	0.9
93.07038	0.5
103.05429	0.4
105.07011	0.6
107.08562	0.5
115.05428	0.9
117.07011	0.4
122.05986	0.6
123.04400	0.5
124.07568	1.5
127.03906	1.3
131.04900	0.9
136.07571	14.7
137.02322	0.5
139.03851	1.0
145.06441	0.7
146.03622	0.7
147.04399	1.8
149.02385	0.5
149.31012	0.4
151.03877	1.0
152.07047	3.1
153.01802	1.4
153.05487	0.7
155.03416	0.9
155.04803	0.6
157.02841	1.1
160.05226	0.5
162.06641	0.4
163.03909	1.6
164.07050	13.2
170.08148	1.0
171.04408	0.8
174.03123	1.2
175.03917	1.0
178.06288	0.8
179.03400	0.8
182.08116	3.4
183.04362	0.6
185.02397	1.2
186.03107	3.1
188.04755	0.5
189.05528	0.8
190.06128	0.7
191.03357	2.5
199.04044	0.9
200.04660	0.5
201.01761	1.0
201.05438	1.9
202.02602	5.7
203.03389	4.5
205.04959	1.1
206.05695	1.6
213.01820	3.1
214.02599	4.6
216.04231	0.7
217.05081	2.2
219.02911	3.4
227.03397	1.2
229.01337	1.0
229.04930	6.3
230.02083	8.6
231.02866	25.3
232.03352	0.6
233.04495	0.8
234.05136	1.1
237.02928	0.6
241.01305	11.0
244.03702	2.5
245.04442	7.6
246.05206	16.4
247.02260	2.1
257.00848	0.7
258.01468	2.0
259.02481	0.4
259.26694	0.4
262.04892	1.9
263.04761	0.4
272.03137	1.1
273.03918	22.3
274.04474	1.6
275.01846	3.7
290.04178	18.6
305.06519	100.0
306.06863	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
55.05488	1.4
57.03432	3.0
58.02971	1.3
58.06590	1.1
60.04528	6.5
61.02914	3.3
67.12364	1.2
69.03422	11.1
69.07063	33.6
70.67601	2.7
70.67955	1.9
71.04974	1.4
71.08623	19.0
71.42149	1.0
81.03412	6.5
84.04502	3.3
85.02901	54.5
86.02412	5.9
96.04465	1.5
96.08130	2.8
97.02885	36.0
97.06487	5.5
99.04440	2.9
99.75716	1.1
103.03935	5.0
109.02862	8.1
111.74824	1.1
114.09167	19.0
123.04409	3.8
124.07568	1.3
127.03913	14.1
132.15506	1.1
138.09123	3.1
139.03867	1.6
142.08624	100.0
145.04958	7.1
151.03917	1.6
152.04286	1.9
153.01892	1.6
155.03407	2.1
156.10130	2.6
162.50331	1.2
180.10220	1.8
184.09685	72.4
185.10121	1.1
208.09717	14.5
220.09694	2.1
222.11238	1.3
223.07536	7.7
238.10704	2.3
250.10724	7.9
267.52625	1.1
268.09555	1.2
286.12885	2.7
304.01712	1.8
304.08826	2.1
304.14160	2.4
316.25754	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0653
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
51.02374	0.8
53.03918	0.9
55.01849	1.2
57.17456	0.6
65.03939	2.2
66.68663	0.6
67.01849	3.0
67.05505	1.2
68.99779	4.7
69.03419	1.2
69.07039	1.4
70.07391	1.3
70.66059	0.9
71.34993	1.4
81.03407	0.9
85.02898	2.8
86.03235	1.5
88.26742	0.6
89.03922	0.9
95.04964	3.0
97.02876	2.2
105.03383	1.6
109.02848	1.1
111.00762	1.0
111.04437	5.5
111.07242	0.6
114.09200	0.8
121.02850	7.6
123.04419	61.5
125.02350	0.8
127.03919	14.3
128.04207	0.8
129.07016	1.2
133.02852	3.0
135.04381	3.2
137.02332	2.6
139.03871	9.2
142.08601	3.0
143.08942	2.9
147.04413	2.0
149.02335	57.7
150.02950	1.1
151.03882	5.8
153.01819	100.0
154.02206	1.4
155.03383	7.7
157.06548	3.3
161.02316	5.3
161.05933	1.4
163.03900	2.0
165.05530	0.7
167.03391	10.5
167.04753	1.3
171.02879	14.4
175.03925	2.0
175.07500	1.5
179.03397	6.3
183.02785	1.0
184.09686	1.6
185.06017	6.8
185.10040	2.9
189.05528	0.8
195.02893	17.5
203.03398	3.0
203.07188	1.0
213.05426	9.6
214.05748	0.7
217.04953	0.8
218.72092	0.6
227.59718	0.8
231.06516	40.0
232.06984	1.2
241.04927	5.0
245.04437	1.7
246.40457	0.6
258.05292	2.0
259.06003	63.6
260.06369	1.3
269.04474	1.1
287.05478	23.8
288.05835	0.8
305.06525	21.4
305.15683	2.1
329.02106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
54.40007	0.3
54.87342	0.3
55.05500	0.4
56.96563	0.3
57.03435	0.6
61.02917	1.0
65.03933	0.4
68.05008	0.5
68.99832	0.4
69.03432	2.3
69.98646	1.5
70.06564	0.4
70.93194	0.3
71.63759	0.3
73.02892	0.4
73.28414	0.3
78.87079	0.3
79.05492	4.7
80.05007	0.6
81.03389	0.9
81.05803	2.5
81.07055	4.0
82.02920	0.4
82.06570	0.7
85.02900	5.3
86.06071	0.6
86.09694	0.5
87.04451	0.5
90.03630	0.3
94.06554	1.0
95.04963	0.3
96.04483	1.3
96.08126	8.3
97.02872	1.8
97.06512	0.3
98.06092	0.4
99.04440	0.6
106.06527	0.7
109.02899	1.1
109.05285	0.6
110.97561	0.3
112.07612	1.4
116.98604	0.5
120.16358	0.3
122.59887	0.4
123.04449	1.4
124.07585	100.0
125.07945	1.4
127.03897	2.7
133.02881	0.5
139.03885	2.9
142.08623	21.3
143.03392	0.3
145.04968	0.6
145.25952	0.3
146.98088	0.3
149.02348	0.8
151.03900	1.7
153.01787	2.1
155.03392	0.3
161.05923	0.3
163.03928	0.4
171.02849	0.5
175.03940	0.5
179.03323	0.6
185.06006	0.3
203.03362	0.6
231.06593	0.3
259.06003	1.1
287.05545	1.1
304.01624	1.3
304.05215	0.5
304.13797	0.7
305.06485	0.9
305.12085	1.3
316.34830	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01860	1.5
55.05494	1.4
57.03433	4.1
58.02951	1.1
58.06586	1.2
60.04523	7.1
61.02919	2.7
67.01862	2.2
68.99788	1.7
69.03425	9.9
69.07065	32.8
70.21954	3.6
71.01421	0.9
71.04990	0.9
71.08628	18.6
73.02898	1.9
79.05494	1.0
81.03424	7.5
84.04505	2.9
85.02901	55.6
86.02430	6.0
95.04978	1.5
96.08131	4.1
97.02888	36.5
97.06506	4.2
99.04447	2.3
103.03927	4.6
109.02872	11.1
111.04415	1.4
114.09158	18.8
121.02857	3.0
123.04429	23.0
124.03932	0.9
124.07581	0.9
127.03922	16.9
135.04378	1.6
137.02325	1.0
138.09160	3.8
139.03900	4.0
142.08629	100.0
143.09035	0.9
145.04942	6.8
147.04378	1.3
148.74605	0.9
149.01160	1.0
149.02339	19.6
151.03868	4.8
152.10718	0.9
153.01814	31.8
154.08603	0.9
155.03394	6.1
156.10199	3.1
161.02312	1.9
167.03407	3.9
171.02890	5.1
175.03845	1.3
179.03386	2.0
180.10277	1.5
184.09686	64.6
185.05960	1.2
185.10028	1.2
195.02911	5.8
203.03436	1.2
208.09671	13.6
213.05455	4.0
220.09758	1.9
223.07506	2.9
231.06525	12.9
238.10701	2.0
241.04959	2.6
250.10735	7.7
257.45859	0.9
258.01273	1.0
259.05972	19.1
268.11954	1.4
286.12756	1.5
287.05502	7.1
304.01746	2.7
304.05209	1.1
304.08704	1.6
304.13919	3.2
305.06470	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	303.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.05504	11.9
56.05006	1.1
57.07061	1.9
58.97128	1.1
65.77431	0.9
67.05516	5.5
68.99764	1.3
69.03426	2.3
69.07052	6.1
70.74685	3.8
74.06072	1.4
77.03909	1.0
79.05467	3.5
81.07047	5.9
83.04977	100.0
83.08596	1.6
85.06511	1.2
88.07616	8.2
91.05492	5.0
93.07057	7.5
95.04974	5.6
95.05490	1.1
95.08596	6.9
97.06528	1.6
105.07032	13.4
107.08574	6.1
109.02851	1.4
109.06493	3.6
109.10125	4.5
111.00822	2.0
111.08064	1.3
111.11691	2.2
116.84120	1.0
117.06991	2.7
119.04871	1.3
119.07794	1.7
119.08575	18.3
121.02804	1.3
121.10137	2.4
123.11709	1.3
125.09635	2.5
129.06978	1.2
131.08539	3.3
133.10127	3.9
135.08043	4.9
135.11659	5.9
137.02330	6.5
137.05946	3.2
142.08653	1.7
143.08534	1.4
145.10106	4.7
147.11684	5.0
148.67670	1.1
149.09616	1.9
149.13225	1.3
152.98724	1.0
153.01807	6.2
155.08488	1.1
157.10117	2.8
159.11653	3.1
161.09579	1.2
161.13257	1.5
162.00040	1.2
165.01859	2.0
171.11635	1.3
173.13188	1.4
175.11121	1.9
183.02882	1.8
183.08029	1.5
185.13187	3.9
187.03870	1.3
187.14771	4.0
201.05450	3.8
211.14676	1.6
229.04906	5.8
243.25092	4.2
257.04379	3.0
267.21033	1.6
271.09644	1.1
285.03815	1.3
285.22058	3.9
303.01358	7.6
303.04944	75.5
303.19687	7.0
303.22864	7.2
303.27142	15.8
304.02039	1.3
304.05304	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	303.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
55.05502	0.8
58.76732	0.2
60.60169	0.2
65.03931	0.9
67.01865	0.3
67.05509	1.4
67.05814	0.4
68.99802	1.5
69.03406	0.5
69.07076	0.6
71.04990	0.3
71.59172	0.5
79.05472	1.2
81.03414	0.7
81.07048	1.9
83.04964	0.5
85.06529	0.4
86.52381	0.3
91.05486	1.5
92.31213	0.3
93.03400	0.7
93.07034	2.1
95.04971	1.0
95.08611	1.7
97.06488	0.4
97.10137	0.3
103.05438	0.6
105.07035	1.8
107.04953	0.5
107.08590	2.2
109.02839	1.3
109.10174	1.8
111.00791	1.6
115.05473	0.3
117.07021	0.8
119.04900	0.5
119.08580	2.5
120.37749	0.3
121.02824	1.9
121.06480	2.0
121.10146	2.2
123.04411	1.7
123.08073	0.5
123.11670	0.5
127.03907	0.4
129.07019	0.5
131.04958	0.5
131.08600	1.3
133.10124	1.0
135.04434	0.5
135.08058	2.6
135.11665	0.6
137.02339	6.7
137.03394	0.6
137.05972	2.9
138.09163	0.6
139.03888	0.5
143.08554	0.5
145.06508	0.9
145.10132	1.9
147.04375	1.0
147.11732	1.6
149.02339	0.9
149.13225	0.5
151.03906	2.1
153.01823	9.9
153.05415	0.5
155.04916	0.5
155.08542	0.8
156.09335	0.3
157.10074	1.2
159.11694	1.2
161.05995	0.7
161.09636	1.5
161.13263	1.1
163.03926	1.4
164.06987	0.4
165.01831	3.6
165.05589	0.4
165.06996	0.7
165.89268	0.3
166.02571	0.5
166.08661	0.3
169.10103	0.9
171.02940	0.3
171.11668	1.3
173.06021	1.3
173.09671	0.3
173.13248	1.2
175.11095	0.3
175.14844	0.7
177.05461	0.6
177.12671	0.3
181.06516	0.3
182.17999	0.2
183.02885	1.7
183.04485	0.8
183.08011	0.7
183.11674	0.8
185.13255	0.8
187.03915	0.6
187.11092	0.5
187.14813	0.6
191.03432	0.4
191.14314	0.3
195.02785	0.3
197.13193	1.4
198.13947	0.3
199.14777	0.7
201.05486	3.8
201.12654	0.3
205.05013	0.7
211.07593	0.6
211.14803	1.0
213.05315	0.3
215.07077	0.2
215.14229	0.3
219.02887	0.3
219.06531	0.5
225.16353	0.3
227.17938	2.9
228.04242	0.7
229.04964	9.0
229.15869	0.4
229.19620	0.5
230.05231	0.6
239.17932	0.6
243.10187	0.4
245.18858	0.4
247.02354	0.4
247.06117	1.4
257.00735	0.4
257.04468	4.5
257.18985	0.3
257.22659	0.4
258.04984	0.5
267.21051	4.9
271.09613	0.9
272.10358	0.3
274.04678	1.2
275.01877	0.8
275.05240	0.5
285.00537	0.6
285.03946	2.3
285.22095	8.6
303.04968	100.0
303.23093	5.4
304.01849	0.6
304.05325	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	303.2315
Annotation	Haplomitrenone
Peak:m/z	Relative Intensity
55.01867	1.5
55.05507	13.3
57.07066	0.8
65.03922	0.7
66.83282	0.5
67.05491	2.9
68.99794	1.0
69.03434	1.1
69.07074	4.7
71.05003	0.7
71.34481	0.9
71.34821	0.5
77.27104	0.6
79.05499	2.1
81.03387	0.9
81.07054	5.0
83.04975	100.0
83.08628	1.0
84.05333	0.7
84.28870	0.6
85.06538	1.1
91.05463	4.7
93.07027	5.0
95.04974	2.4
95.08604	4.8
97.02858	0.7
97.10146	0.5
99.08115	0.6
103.05480	1.5
105.07023	6.0
107.04955	1.2
107.08590	4.0
109.02845	0.7
109.06515	1.4
109.10131	4.6
111.00789	0.9
111.04430	0.6
111.08097	0.8
111.11723	2.4
111.19469	0.6
115.05444	0.7
117.07027	1.5
119.04933	0.7
119.08565	7.6
121.02866	0.9
121.06482	2.5
121.10132	2.9
122.03613	0.8
123.04419	1.9
123.08029	1.2
123.11713	1.3
125.06007	3.0
125.09612	1.0
129.07028	0.8
131.04932	1.7
131.08528	2.0
133.10109	2.7
135.04367	0.6
135.08069	2.9
135.11696	3.4
137.02327	3.8
137.05969	13.3
137.13200	0.8
138.06308	0.9
141.06955	0.7
143.08565	1.5
145.02916	0.6
145.10124	4.1
147.04372	1.3
147.08012	0.9
147.11674	2.0
149.05975	1.6
149.09613	0.8
149.13269	0.8
151.03879	1.6
151.07516	2.9
151.11130	1.0
152.06241	0.6
153.01811	6.4
153.05476	1.7
153.06946	1.6
153.09082	1.8
155.04875	0.7
155.08578	1.7
157.10165	1.0
159.08084	0.7
159.11679	3.9
161.06000	0.9
161.09583	0.9
161.13217	1.1
163.03955	1.1
163.07494	1.0
163.09573	0.6
165.01807	1.6
165.06963	3.7
167.07002	0.6
168.05705	1.8
169.10114	0.6
171.08032	0.9
171.11604	1.3
173.05952	1.1
173.09554	0.6
173.13136	0.6
175.11143	1.1
175.14738	0.7
177.05429	0.6
177.09117	0.6
181.06367	1.1
181.12257	2.3
182.07231	1.0
183.02861	1.7
183.08047	4.0
183.11633	0.8
185.05994	0.8
185.13264	1.7
187.07449	0.6
187.14827	10.3
195.17505	1.0
196.05235	0.9
197.09546	0.6
199.07465	0.6
201.01758	1.0
201.05437	2.4
201.12752	0.9
201.16318	1.5
203.14297	0.6
207.04492	0.9
209.15298	0.8
211.07506	4.7
211.14799	1.2
213.05489	1.1
215.10608	1.0
225.09117	1.2
229.01343	0.7
229.04979	4.4
229.15800	0.8
239.06929	1.5
240.61853	0.6
242.09508	0.8
243.10185	3.2
245.08023	0.7
247.02379	0.9
247.06084	0.9
249.19507	0.8
253.08423	0.7
257.00885	0.9
257.04477	2.8
257.12329	0.6
257.15198	0.8
271.09604	5.9
275.01904	0.7
285.00363	1.2
285.03827	1.4
285.22076	2.4
288.09836	1.1
303.01358	6.8
303.04932	57.1
303.12045	5.1
303.19681	1.3
303.23148	5.6
304.02042	1.0
304.05289	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	303.2317
Annotation	Haplomitrenone
Peak:m/z	Relative Intensity
53.03948	0.8
54.05751	0.4
55.01874	0.5
55.05506	10.4
55.88894	0.4
56.96563	0.5
57.03434	0.5
57.07076	1.6
64.69376	0.5
65.03956	0.6
67.05504	1.9
68.99792	0.8
69.07060	3.1
70.16518	1.2
70.16922	0.8
71.08616	0.5
79.05486	1.6
80.26190	0.4
81.07045	4.6
83.04976	100.0
83.08593	0.5
84.05325	0.6
85.06533	0.7
91.05466	1.7
93.03381	0.4
93.07037	4.2
95.04955	1.3
95.08599	4.5
97.02900	0.6
97.06526	1.0
105.07003	3.3
107.04974	0.5
107.08575	3.7
109.02880	1.2
109.06540	0.7
109.10138	2.6
111.00761	0.9
111.08080	0.6
117.06982	1.0
117.28204	0.4
119.08575	4.9
119.58443	0.4
121.02869	1.0
121.06510	3.6
121.10130	1.9
123.04408	1.2
123.07970	0.6
123.11662	0.9
125.05981	3.0
125.09648	0.4
129.07019	0.7
131.04950	0.4
131.08504	2.5
133.10114	1.4
134.99753	0.5
135.04482	0.6
135.08023	2.4
135.11687	2.2
137.02359	3.8
137.05969	1.9
143.08582	0.6
145.06538	0.8
145.10130	3.6
147.04411	0.8
147.11671	1.7
149.02328	0.5
149.09645	0.6
149.13214	0.6
151.03906	1.4
153.01833	5.0
153.05408	0.5
153.09084	1.5
155.08582	1.1
157.10124	2.1
159.11699	3.2
161.09637	1.2
161.13297	1.4
163.03886	0.9
163.07486	0.5
165.01848	1.9
165.06972	0.5
169.10103	1.5
171.11661	1.1
172.46545	0.5
173.05994	1.2
173.13286	1.0
178.22321	0.5
181.12219	1.9
183.02913	1.0
183.08066	1.0
183.11649	0.9
185.13251	1.9
187.11246	0.7
187.14822	9.5
197.13222	1.1
201.05444	2.1
201.16354	1.4
203.14247	0.6
203.17931	0.4
203.52193	0.5
205.15829	0.5
209.15402	1.1
211.07550	1.0
211.14774	1.7
225.16386	1.0
227.17949	2.2
229.04968	3.3
229.15883	1.0
243.10175	0.6
247.05869	0.6
257.00775	1.6
257.04385	1.5
257.19034	0.9
267.21054	5.0
271.09619	1.3
274.04761	0.8
275.01825	0.9
275.05264	0.5
285.00412	1.0
285.03934	1.0
285.22089	8.2
285.25003	0.4
303.01300	6.4
303.04901	38.4
303.19501	2.1
303.23111	3.5
303.30835	1.0
304.01990	0.7
304.05136	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2316
Annotation	Haplomitrenone
Peak:m/z	Relative Intensity
53.03940	0.5
55.05511	15.1
57.03428	0.4
57.07064	1.1
60.26550	0.3
65.03943	0.4
67.05501	1.5
69.03432	0.4
69.07068	2.8
71.33980	0.2
79.05502	1.1
81.07050	3.0
83.04978	100.0
83.08610	0.6
84.05306	1.4
85.06541	1.6
91.05491	1.4
93.07040	2.1
94.86103	0.3
95.04961	0.7
95.08588	3.2
97.06555	0.4
97.10168	4.1
99.08076	0.5
105.07026	2.0
107.08606	3.2
109.06522	2.2
109.10137	1.4
111.08092	0.3
115.05456	0.8
117.07038	1.1
119.08587	1.3
121.06497	5.8
121.10137	1.2
123.08088	0.4
123.11700	0.3
131.08597	0.7
133.10150	0.9
135.08051	22.1
135.11710	0.4
136.08374	0.7
137.02390	0.3
137.05959	1.5
137.13255	1.2
139.11172	0.6
145.06572	0.3
145.10138	1.3
147.08110	0.8
147.11682	0.7
149.09668	0.8
151.07489	0.4
151.11180	0.4
153.01872	0.4
153.12895	0.3
159.08086	0.9
159.11635	0.6
161.09639	2.2
162.98769	0.3
171.08081	0.3
173.09621	2.8
173.13280	0.6
175.11250	0.5
177.16438	0.4
183.02899	0.3
183.08035	0.4
187.11188	0.9
187.14807	0.6
189.12769	0.3
195.17438	11.3
196.17889	0.5
201.05426	0.6
201.16377	0.7
203.14473	0.5
211.07584	0.8
211.14767	0.5
229.05025	0.5
229.15919	6.3
242.24867	0.3
247.16954	0.9
257.15240	0.3
271.09686	0.8
285.22214	0.3
300.01666	0.3
303.01569	0.5
303.04919	5.1
303.12170	0.8
303.23151	4.7
304.28531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2316
Annotation	Haplomitrenone
Peak:m/z	Relative Intensity
53.03941	1.0
55.05504	11.9
56.05006	1.1
57.07061	1.9
58.97128	1.1
65.77431	0.9
67.05516	5.5
68.99764	1.3
69.03426	2.3
69.07052	6.1
70.74685	3.8
74.06072	1.4
77.03909	1.0
79.05467	3.5
81.07047	5.9
83.04977	100.0
83.08596	1.6
85.06511	1.2
88.07616	8.2
91.05492	5.0
93.07057	7.5
95.04974	5.6
95.05490	1.1
95.08596	6.9
97.06528	1.6
105.07032	13.4
107.08574	6.1
109.02851	1.4
109.06493	3.6
109.10125	4.5
111.00822	2.0
111.08064	1.3
111.11691	2.2
116.84120	1.0
117.06991	2.7
119.04871	1.3
119.07794	1.7
119.08575	18.3
121.02804	1.3
121.10137	2.4
123.11709	1.3
125.09635	2.5
129.06978	1.2
131.08539	3.3
133.10127	3.9
135.08043	4.9
135.11659	5.9
137.02330	6.5
137.05946	3.2
142.08653	1.7
143.08534	1.4
145.10106	4.7
147.11684	5.0
148.67670	1.1
149.09616	1.9
149.13225	1.3
152.98724	1.0
153.01807	6.2
155.08488	1.1
157.10117	2.8
159.11653	3.1
161.09579	1.2
161.13257	1.5
162.00040	1.2
165.01859	2.0
171.11635	1.3
173.13188	1.4
175.11121	1.9
183.02882	1.8
183.08029	1.5
185.13187	3.9
187.03870	1.3
187.14771	4.0
201.05450	3.8
211.14676	1.6
229.04906	5.8
243.25092	4.2
257.04379	3.0
267.21033	1.6
271.09644	1.1
285.03815	1.3
285.22058	3.9
303.01358	7.6
303.04944	75.5
303.19687	7.0
303.22864	7.2
303.27142	15.8
304.02039	1.3
304.05304	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	303.0862
Annotation	3,3'-Dihydroxy-4,5,4',5'-bismethylenedioxybibenzyl
Peak:m/z	Relative Intensity
51.02364	0.6
51.38793	0.4
53.03931	0.6
55.01871	3.4
64.54427	0.4
65.03926	1.0
67.05506	2.3
68.99775	1.9
69.03407	1.8
70.06566	0.8
72.08143	0.4
77.03874	0.7
79.05466	1.4
79.56406	0.5
81.03407	1.4
83.01363	0.4
83.04937	0.9
85.02909	2.2
85.59137	0.4
91.05476	3.1
93.03370	0.7
95.04968	5.5
96.37811	0.4
97.02873	1.9
98.21104	3.1
103.70258	0.4
105.03363	2.2
105.04530	0.5
107.04942	1.7
109.02851	1.4
111.04435	1.9
115.05460	0.5
119.04092	0.8
119.04924	9.8
121.02851	0.8
122.03579	0.6
123.04420	55.7
124.04801	0.5
127.03894	2.1
131.45183	0.5
132.75815	0.4
133.06425	0.8
135.04413	5.1
137.02332	1.4
137.05960	6.7
139.03893	18.6
140.07039	0.8
141.07265	0.6
143.04935	1.7
145.02773	0.6
145.06480	0.7
147.04399	27.0
149.05974	0.7
150.05531	1.1
151.03894	100.0
152.04442	0.9
152.07034	0.8
153.01788	3.1
153.05463	3.1
161.05975	5.8
163.03912	7.0
165.01767	0.5
165.05481	10.7
165.06885	0.8
167.07027	12.2
169.06487	0.8
171.04512	0.5
173.02353	1.1
173.05980	4.5
175.03851	1.5
175.07549	0.8
177.05486	1.1
179.03392	0.6
179.07019	2.0
181.04938	8.7
182.08075	0.5
183.08397	1.3
187.07549	1.0
189.05423	1.7
191.03383	1.7
193.04951	6.5
193.08546	0.6
197.05899	1.1
199.07574	0.8
201.01833	3.6
207.06561	5.2
211.04051	0.5
211.07631	0.7
211.09682	0.6
213.01926	0.5
215.07100	1.4
217.08662	2.7
229.01346	3.4
231.02863	0.7
239.07071	1.2
243.06586	1.8
247.02423	3.1
257.00815	6.4
257.08105	0.9
259.02457	1.0
261.07629	0.8
267.06580	0.8
275.01834	6.1
285.00302	5.6
285.07568	5.8
285.12402	1.8
303.01382	37.3
303.05164	3.2
303.08582	58.1
303.13727	1.6
304.01740	2.2
304.09042	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.6
51.38793	0.4
53.03931	0.6
55.01871	3.4
64.54427	0.4
65.03926	1.0
67.05506	2.3
68.99775	1.9
69.03407	1.8
70.06566	0.8
72.08143	0.4
77.03874	0.7
79.05466	1.4
79.56406	0.5
81.03407	1.4
83.01363	0.4
83.04937	0.9
85.02909	2.2
85.59137	0.4
91.05476	3.1
93.03370	0.7
95.04968	5.5
96.37811	0.4
97.02873	1.9
98.21104	3.1
103.70258	0.4
105.03363	2.2
105.04530	0.5
107.04942	1.7
109.02851	1.4
111.04435	1.9
115.05460	0.5
119.04092	0.8
119.04924	9.8
121.02851	0.8
122.03579	0.6
123.04420	55.7
124.04801	0.5
127.03894	2.1
131.45183	0.5
132.75815	0.4
133.06425	0.8
135.04413	5.1
137.02332	1.4
137.05960	6.7
139.03893	18.6
140.07039	0.8
141.07265	0.6
143.04935	1.7
145.02773	0.6
145.06480	0.7
147.04399	27.0
149.05974	0.7
150.05531	1.1
151.03894	100.0
152.04442	0.9
152.07034	0.8
153.01788	3.1
153.05463	3.1
161.05975	5.8
163.03912	7.0
165.01767	0.5
165.05481	10.7
165.06885	0.8
167.07027	12.2
169.06487	0.8
171.04512	0.5
173.02353	1.1
173.05980	4.5
175.03851	1.5
175.07549	0.8
177.05486	1.1
179.03392	0.6
179.07019	2.0
181.04938	8.7
182.08075	0.5
183.08397	1.3
187.07549	1.0
189.05423	1.7
191.03383	1.7
193.04951	6.5
193.08546	0.6
197.05899	1.1
199.07574	0.8
201.01833	3.6
207.06561	5.2
211.04051	0.5
211.07631	0.7
211.09682	0.6
213.01926	0.5
215.07100	1.4
217.08662	2.7
229.01346	3.4
231.02863	0.7
239.07071	1.2
243.06586	1.8
247.02423	3.1
257.00815	6.4
257.08105	0.9
259.02457	1.0
261.07629	0.8
267.06580	0.8
275.01834	6.1
285.00302	5.6
285.07568	5.8
285.12402	1.8
303.01382	37.3
303.05164	3.2
303.08582	58.1
303.13727	1.6
304.01740	2.2
304.09042	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.65131	0.2
55.01857	0.4
65.03928	0.5
67.01838	0.2
67.05479	0.4
68.99771	2.0
69.03447	0.2
81.03407	0.6
81.07052	0.4
91.05470	0.2
93.03384	0.6
93.07011	0.5
95.04968	1.0
98.21505	0.5
102.72247	0.2
103.05447	0.2
105.03394	0.3
105.07014	0.7
107.04928	0.2
107.08569	0.5
109.02867	0.9
109.10105	0.2
111.00799	1.9
114.55878	0.2
117.07063	0.4
119.04885	0.3
119.08573	0.3
121.02837	2.1
121.10130	0.2
123.04434	1.1
127.03899	0.5
131.04921	0.3
133.10120	0.3
135.04378	0.5
137.02333	6.7
137.03378	0.5
137.05962	0.4
145.02844	0.3
145.06488	0.4
147.04327	0.3
147.11674	0.4
149.02333	0.7
151.03929	0.6
153.01814	9.9
155.04935	0.8
161.05957	0.8
163.03886	1.3
165.01819	3.7
166.02559	0.4
171.02820	0.2
173.05943	1.5
177.05537	0.2
179.03398	0.3
183.02855	1.7
183.04424	1.0
185.06012	0.2
187.03894	0.8
191.07010	0.3
195.02878	0.5
198.34975	0.2
201.05449	4.3
202.05775	0.2
202.41951	0.2
205.04959	0.5
207.02875	0.3
208.88135	0.2
211.03893	0.5
213.05479	0.2
219.02994	0.3
219.06546	0.6
228.04204	0.6
229.04941	8.9
230.05351	0.3
239.03369	0.4
247.05994	1.2
257.04431	4.6
258.05099	0.2
274.04697	1.0
275.05353	0.5
285.03967	2.0
303.04953	100.0
303.23099	0.8
304.05295	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	303.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82331	2.3
55.01861	6.9
56.96556	3.4
57.03418	7.8
61.02933	15.0
62.93721	2.4
69.03420	19.9
70.06583	4.8
70.09068	12.6
71.04980	16.4
73.02903	8.0
81.03425	6.6
81.04538	4.8
85.02899	42.3
86.03246	3.4
94.30886	2.2
95.04950	3.3
95.06082	4.0
97.02878	17.0
98.06031	9.3
98.97551	11.9
99.04441	18.1
101.00840	2.4
109.02857	6.8
110.01248	3.2
116.07117	4.1
116.98598	5.4
117.96432	2.7
119.01868	9.8
119.04905	4.2
122.06072	3.2
123.04415	27.8
123.05531	9.3
124.07555	4.5
127.03929	15.3
128.02303	4.5
131.01903	4.7
135.03210	2.6
135.04416	4.3
137.02805	4.0
137.06085	2.6
139.03882	9.2
140.03471	4.3
140.07123	3.5
140.08163	3.6
141.01106	3.1
141.03767	6.6
141.05522	6.5
141.06567	52.9
141.08401	3.2
145.01576	2.9
145.03502	2.8
145.04938	9.8
147.04390	15.0
151.03897	46.1
153.01787	10.2
155.01967	3.4
161.02890	5.6
163.03944	3.0
165.05496	4.6
173.02899	3.8
174.03185	3.2
177.02267	3.6
181.04881	3.4
184.05013	3.1
187.01010	2.8
189.00742	3.3
191.03883	3.5
192.02890	3.3
198.04840	3.4
200.04395	7.8
200.98285	6.0
204.02849	4.1
212.57182	5.9
213.03461	11.8
213.07179	3.2
218.99472	3.6
222.03960	7.7
250.10783	2.8
261.02750	3.3
280.09406	3.0
281.09027	3.7
303.01398	10.7
303.10968	100.0
303.15869	25.0
304.10709	2.8
322.10516	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Quercetin
Peak:m/z	Relative Intensity
51.02406	0.1
53.03943	0.1
55.01867	0.3
65.03947	0.4
67.01849	0.3
67.05492	0.2
68.99432	0.1
68.99791	1.9
69.03413	0.2
69.50833	0.5
69.51244	0.2
70.75238	0.1
71.01357	0.2
77.79670	0.1
81.03413	0.7
91.05457	0.1
93.03401	0.7
95.04974	0.8
97.02882	0.1
105.03392	0.2
107.01331	0.1
107.04961	0.2
109.02882	1.1
111.00801	1.9
111.04400	0.1
115.05469	0.1
117.07011	0.3
119.04896	0.1
121.02866	2.3
123.04435	0.8
127.03905	0.5
128.06236	0.1
129.06990	0.1
131.04909	0.3
133.02872	0.1
133.06467	0.1
135.04407	0.4
137.02336	7.3
137.03307	0.2
137.05968	0.1
138.02625	0.2
143.04932	0.1
145.02841	0.2
145.06490	0.6
147.04390	0.1
148.50540	0.1
149.02374	0.8
151.03955	0.2
153.01820	10.3
154.02187	0.3
154.34491	0.1
155.04918	0.6
155.06047	0.1
157.06499	0.2
159.04442	0.3
161.05975	0.6
163.03909	1.3
165.01836	3.8
166.02637	0.6
167.03465	0.1
171.02919	0.2
173.02426	0.1
173.05986	1.5
174.06415	0.1
177.01828	0.1
177.05392	0.2
179.03358	0.4
183.02884	1.5
183.04425	0.9
185.05876	0.1
187.03943	0.8
191.03378	0.4
191.06941	0.2
195.02910	0.5
200.04742	0.2
201.05469	4.3
202.05794	0.3
205.04951	0.5
207.02931	0.3
211.03923	0.3
213.05458	0.3
215.03412	0.2
217.04984	0.1
219.02924	0.3
219.06552	0.6
228.04242	0.5
229.04951	8.9
230.05325	0.5
231.02747	0.1
232.03796	0.2
233.04404	0.1
239.03397	0.4
245.04561	0.2
246.05292	0.1
247.06000	1.2
257.04443	5.2
258.04980	0.3
263.00580	0.1
267.02924	0.2
274.04730	1.2
275.05359	0.5
285.03934	2.3
286.04398	0.2
303.04977	100.0
304.05325	4.9
316.87152	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0494
Annotation	Quercetin
Peak:m/z	Relative Intensity
51.84891	0.0
53.03934	0.1
54.52374	0.1
55.01866	0.2
55.47742	0.1
65.03933	0.4
67.01862	0.3
67.05480	0.2
68.99780	1.9
69.03407	0.2
69.84303	0.3
71.01340	0.1
75.93226	0.1
77.03938	0.1
79.05482	0.1
81.03407	0.5
91.05468	0.1
93.03402	0.6
95.04958	0.8
97.02881	0.1
102.44903	0.1
105.03383	0.1
107.01297	0.1
107.04259	0.0
107.04942	0.2
109.02865	1.2
110.03662	0.1
111.00785	2.1
111.04427	0.1
115.05446	0.2
116.71891	0.1
117.07007	0.3
119.04887	0.1
121.02855	2.0
123.04422	0.7
127.03916	0.5
128.06221	0.1
131.04889	0.4
133.02864	0.1
133.06476	0.2
135.04381	0.6
137.02322	7.5
137.05922	0.2
138.02713	0.1
139.03888	0.1
140.60823	0.1
143.04890	0.1
145.02855	0.2
145.06464	0.8
147.04393	0.1
149.02327	0.8
150.03056	0.1
151.03851	0.1
153.01807	9.8
154.02098	0.1
155.04883	0.9
155.06017	0.1
157.06461	0.1
159.04338	0.3
161.05977	0.7
163.03894	1.2
163.07472	0.1
165.01814	3.9
166.02626	0.5
167.03421	0.1
171.02867	0.1
173.02391	0.1
173.05969	1.4
176.04590	0.1
177.01773	0.2
177.05450	0.2
179.03349	0.3
183.02858	1.5
183.04411	0.9
184.05042	0.1
185.06024	0.1
187.03900	0.9
189.05469	0.1
191.03394	0.3
191.07050	0.2
194.02026	0.1
195.02899	0.3
200.04649	0.1
201.05444	4.5
203.03365	0.1
205.04913	0.5
207.02852	0.3
211.03825	0.4
213.05426	0.2
215.03400	0.2
216.03957	0.1
217.04945	0.1
219.02989	0.3
219.06526	0.5
228.04134	0.6
229.04929	9.9
230.05331	0.1
232.03706	0.2
233.04468	0.1
239.03497	0.4
245.04398	0.2
246.05257	0.2
247.06000	1.2
257.04416	5.0
258.04892	0.2
267.02966	0.1
274.04691	1.3
275.05383	0.4
285.03894	2.4
286.04483	0.1
302.03979	0.1
303.04947	100.0
304.05292	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.3
65.03921	0.4
67.01869	0.3
67.05503	0.2
68.99432	0.2
68.99783	1.8
69.03410	0.2
71.33641	0.4
73.95150	0.2
75.06178	0.2
79.05470	0.2
79.40831	0.1
81.03394	0.6
81.07046	0.1
85.02874	0.2
93.03398	0.6
95.04988	0.8
103.05436	0.2
105.03392	0.1
105.07075	0.3
107.04964	0.3
109.02879	0.9
111.00809	1.8
115.05420	0.2
117.06984	0.3
121.02862	1.8
123.04408	1.1
127.03905	0.5
131.04922	0.5
133.02869	0.2
135.04408	0.5
137.02341	6.0
137.03375	0.3
137.05962	0.4
138.02698	0.2
139.03967	0.4
139.05295	0.2
143.04877	0.2
145.02812	0.2
145.06483	0.7
147.04396	0.4
149.02341	0.7
151.03894	0.7
153.01823	8.9
154.02156	0.3
155.04901	0.8
159.04410	0.2
161.05959	0.8
163.03935	1.2
165.01828	3.3
166.02570	0.5
172.05031	0.7
173.02383	0.2
173.05972	1.2
177.01938	0.2
177.05463	0.2
179.03398	0.4
183.02881	1.4
183.04414	0.8
187.03918	0.7
191.03392	0.6
191.07005	0.2
195.02802	0.3
200.04558	0.6
201.01770	0.4
201.05467	4.3
202.05807	0.3
203.03427	0.2
205.04944	0.5
211.03828	0.3
213.05542	0.3
215.03468	0.2
218.05583	1.2
219.02922	0.4
219.06485	0.6
228.04134	0.5
229.04944	8.7
230.05270	0.3
232.03830	0.2
239.03615	0.3
245.04512	0.3
246.05161	0.6
247.02368	0.4
247.06053	1.3
257.00897	0.5
257.04459	5.0
258.04971	0.3
259.02457	0.2
274.04752	1.3
275.01831	0.7
275.05319	0.5
285.00607	0.3
285.03879	2.2
303.04959	100.0
304.01892	0.3
304.05304	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	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.3
56.36269	0.1
65.03945	0.5
66.18481	0.1
67.01862	0.3
67.05489	0.3
68.99789	1.6
69.03417	0.2
69.82835	0.1
71.15765	0.2
81.03416	0.4
85.02908	0.2
91.05482	0.1
93.03407	0.6
95.04954	0.8
97.02874	0.1
105.03371	0.1
105.07068	0.1
107.04935	0.1
109.02873	1.0
110.03688	0.1
111.00798	1.7
111.04396	0.2
117.07013	0.3
121.02867	2.0
123.04432	0.7
127.03888	0.4
131.04903	0.4
132.88416	0.1
133.02817	0.2
133.06494	0.1
135.04417	0.3
137.02333	6.7
137.03378	0.3
137.05959	0.2
138.02684	0.1
139.03903	0.1
139.05374	0.1
143.04886	0.1
145.02843	0.2
145.06491	0.7
147.04424	0.2
147.86121	0.1
149.02354	0.8
149.05956	0.1
151.03893	0.3
153.01819	9.3
154.02139	0.2
155.04930	0.9
155.06059	0.1
157.06494	0.2
158.33621	0.1
159.04330	0.2
161.06009	0.5
163.03891	1.0
165.01828	3.5
165.05600	0.1
166.02687	0.4
171.02888	0.1
173.02327	0.2
173.05978	1.4
177.01926	0.2
177.05479	0.3
179.03387	0.4
181.01268	0.1
181.04936	0.1
183.02882	1.5
183.04440	0.8
184.05132	0.1
184.64110	0.1
187.03891	0.8
191.03416	0.4
191.07001	0.2
195.02878	0.4
200.04692	0.1
201.01802	0.2
201.05463	3.7
202.05737	0.1
203.03352	0.1
205.04956	0.4
207.02869	0.3
211.03908	0.3
213.05394	0.2
215.03406	0.2
217.04991	0.1
219.02858	0.3
219.06564	0.5
222.61607	0.1
228.04227	0.6
229.04942	8.6
230.05354	0.3
232.03839	0.1
233.04317	0.1
239.03398	0.4
245.04669	0.1
247.02423	0.2
247.06009	1.2
257.00903	0.2
257.04431	4.3
258.04941	0.2
274.04718	1.3
275.02008	0.1
275.05426	0.3
285.00598	0.2
285.03882	2.0
286.04538	0.1
303.04965	100.0
304.05307	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	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03942	0.2
55.01865	0.3
57.30551	0.2
65.03934	0.4
65.19396	0.2
67.01856	0.5
67.05480	0.2
68.99781	1.9
69.29268	1.6
69.29677	0.4
80.36632	0.1
81.03400	0.4
93.03393	0.6
95.04949	1.0
96.41219	0.2
96.98730	0.2
98.20677	0.3
105.06964	0.3
107.04963	0.2
109.02866	0.7
111.00800	1.6
111.04406	0.3
117.07003	0.3
121.02859	2.1
123.04420	1.1
127.03895	0.4
131.04918	0.2
133.06454	0.2
135.04434	0.4
137.02330	7.0
137.03386	0.4
139.03880	2.2
145.02846	0.2
145.06435	0.5
147.04367	0.2
149.02362	0.8
151.03854	0.3
153.01813	8.8
154.02156	0.2
155.04874	0.5
159.04401	0.3
161.05954	0.7
163.03902	1.6
165.01817	3.3
165.05467	0.2
166.02544	0.6
173.05983	1.1
177.01917	0.2
179.03362	0.4
183.02888	1.4
183.04404	0.4
187.03886	0.8
191.03381	1.3
191.07056	0.2
195.02859	0.4
201.05458	3.1
205.04926	0.3
207.02879	0.2
211.03860	0.3
213.05499	0.3
215.03380	0.2
219.02901	0.2
219.06445	0.5
228.04147	0.5
229.04947	8.6
230.05148	0.3
233.04312	0.2
239.03429	0.4
243.06680	0.2
247.05894	1.0
257.00540	0.2
257.01627	0.3
257.04425	4.9
258.04999	0.3
274.04718	1.2
275.05338	0.3
285.03955	2.1
285.12241	0.2
286.04514	0.2
303.04953	100.0
303.14056	3.6
304.05267	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	303.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36123	0.3
66.21907	0.3
67.26387	0.3
68.51298	0.2
69.80038	1.8
98.21443	0.6
98.97573	1.1
101.00853	0.6
116.98589	0.9
118.50774	0.3
119.01913	5.1
120.01966	0.3
134.99701	0.9
137.02936	2.3
165.99652	0.3
177.00935	9.6
178.01041	1.8
179.00720	1.1
182.99956	0.4
201.00954	0.5
217.03963	1.7
218.03825	0.7
219.01991	18.2
220.02098	4.1
221.01743	2.3
222.01981	0.9
225.00899	2.2
226.01004	0.4
230.97269	0.3
242.03603	0.4
243.01950	5.5
244.02144	1.2
260.04700	0.3
261.03043	100.0
262.03177	19.7
263.02921	1.9
279.00476	2.0
280.00824	0.6
284.04626	4.5
284.99792	1.7
285.04553	1.7
292.19012	0.4
299.22314	0.3
301.01074	0.5
303.00836	3.3
303.05362	4.6
304.05402	0.7
321.01450	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24939	0.1
55.01856	0.4
55.05497	0.1
62.27115	0.1
65.03926	0.4
67.01848	0.3
67.05480	0.4
68.99784	1.6
69.03413	0.3
71.60374	0.2
79.05495	0.4
79.24316	0.1
81.03393	0.4
81.07058	0.3
85.02869	0.2
88.44483	0.1
91.05464	0.3
93.03400	0.6
93.07026	0.2
95.04939	1.0
95.08548	0.3
95.90234	0.1
97.02865	0.2
99.08063	0.2
103.05466	0.2
105.03362	0.2
105.07033	0.2
107.04928	0.2
109.02874	1.0
110.03654	0.1
111.00784	1.6
111.04477	0.3
115.05455	0.3
117.07005	0.4
119.04926	0.4
121.02849	2.0
121.06487	0.1
122.89174	0.1
123.04414	2.5
127.03898	0.6
128.71802	0.1
129.07005	0.2
130.06509	0.1
131.04916	0.3
133.02841	0.2
133.06476	0.2
135.04410	0.7
137.02324	7.4
137.03351	0.4
137.05957	0.8
138.02625	0.1
139.03882	3.7
144.08040	0.2
145.02795	0.4
145.06474	0.8
147.04405	0.8
149.02321	0.8
149.05971	0.2
151.03909	1.2
153.01813	9.5
155.04837	0.7
157.06467	0.2
159.04391	0.2
161.04752	0.1
161.05998	0.7
161.07130	0.1
163.03883	1.4
165.01816	3.3
165.05472	0.6
166.02446	0.3
173.02350	0.2
173.05952	1.2
175.03839	0.2
177.05457	0.2
179.03438	0.4
183.02864	1.4
183.04381	1.0
183.07875	0.1
187.03914	0.8
191.03374	2.2
191.07054	0.1
195.02924	0.5
199.15027	0.2
200.04404	0.2
201.01775	0.6
201.05450	4.2
202.05827	0.2
203.03383	0.2
205.04970	0.5
207.02892	0.4
207.06464	0.1
211.03888	0.2
213.10313	0.3
217.01334	0.1
219.02925	0.3
219.06479	0.5
228.04103	0.6
229.01273	0.3
229.04936	8.5
230.05270	0.4
231.02823	0.2
232.03842	0.1
233.04457	0.2
237.75275	0.1
239.03333	0.4
239.07109	0.1
241.09624	0.3
243.02747	0.1
243.06592	0.4
247.02342	0.5
247.05934	1.0
257.00845	0.8
257.04410	4.6
258.04858	0.4
259.02377	0.3
267.11218	0.2
274.04715	1.2
275.01819	0.7
275.05258	0.3
285.00299	0.6
285.03903	2.2
285.07343	0.3
285.12302	1.9
285.15240	0.2
286.04556	0.2
303.01541	5.2
303.04935	100.0
303.14066	15.3
304.01715	0.5
304.05273	4.5
314.14249	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	302.998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35987	0.6
56.96561	2.3
61.02907	1.9
64.10598	0.7
68.24406	0.7
69.51703	1.1
69.52106	5.5
85.02895	1.6
88.94555	0.7
91.68655	0.8
97.02893	1.1
98.21558	1.3
98.97585	5.7
103.35863	0.8
109.02895	1.7
116.98615	7.1
119.01917	6.4
131.01915	2.1
134.99670	5.9
137.02940	3.5
139.02573	1.0
142.03493	1.0
153.00818	1.6
153.95709	0.7
156.97501	0.8
157.03456	1.7
157.46349	0.8
160.04430	0.9
166.99174	0.9
176.98329	2.5
177.00937	18.4
177.02397	1.5
178.01071	2.2
179.00676	1.1
183.01427	0.9
186.98218	6.6
187.48210	1.5
187.98146	2.4
188.96391	1.2
196.95462	1.0
197.97041	4.7
198.47224	1.0
198.49019	2.8
200.98309	4.4
201.00835	1.3
201.02451	3.3
202.93613	1.1
203.81180	0.7
203.96992	1.9
206.97539	1.3
208.48822	1.2
209.97032	5.2
212.97565	0.9
214.96541	16.4
215.97650	1.7
216.47331	0.8
216.94815	2.3
218.03673	2.5
218.97485	3.2
219.01988	32.6
219.47522	1.4
220.02121	1.3
220.94637	1.0
221.01886	1.3
222.47394	1.0
223.01607	1.3
224.98387	1.9
225.00850	1.7
225.95319	0.9
226.95999	4.0
227.96483	1.2
229.46454	1.1
230.97557	2.3
231.47548	0.9
231.97380	0.8
232.93047	1.8
232.96567	1.4
235.96054	1.1
237.95406	2.5
238.46631	3.5
238.95717	4.8
239.46725	2.6
239.97864	2.1
240.48119	1.0
242.03598	1.4
242.99348	4.9
243.01900	1.5
246.44264	1.0
248.44574	0.7
249.46049	0.9
249.95013	1.4
255.95099	3.2
256.45105	1.9
256.96783	100.0
257.96790	6.5
258.95468	3.8
259.45450	3.1
260.97186	1.3
261.03043	45.7
261.45874	0.8
261.97153	4.6
262.03143	9.9
263.02893	1.1
264.95547	3.4
265.95422	1.4
267.46036	1.7
267.95901	1.6
268.95145	1.1
269.44226	1.2
270.95401	2.2
272.94223	1.2
274.94226	5.2
274.97641	43.4
275.97650	3.6
276.95886	2.9
277.45786	1.8
277.95737	1.8
278.44708	4.5
279.00296	0.7
279.44675	1.4
279.98273	59.4
280.45728	1.5
280.98370	5.8
284.04590	1.8
284.98709	1.8
287.44852	0.9
288.44571	1.6
288.96097	1.2
289.95697	2.1
292.95126	5.3
294.93088	1.1
297.95938	2.0
297.99283	11.3
298.98563	20.9
302.99829	6.2
303.05713	2.5
314.96423	2.2
315.96301	1.3
322.00024	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	302.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.05511	1.2
57.03427	4.7
57.59841	1.1
61.02914	4.3
65.03907	1.2
67.05520	5.7
68.99792	1.2
69.03424	11.0
69.07088	1.3
69.51382	1.7
69.51791	7.6
70.06590	1.8
71.04978	2.6
72.08141	4.6
73.02888	2.5
79.05489	4.4
81.03419	6.6
81.07064	6.1
82.10830	1.1
85.02903	84.7
86.09715	2.0
91.03912	1.3
91.05473	1.7
93.05767	2.0
94.06563	2.8
95.04966	5.7
97.02279	2.3
97.02889	38.3
97.03517	2.3
97.06535	1.9
98.06032	1.1
98.09714	1.2
99.04494	2.1
103.03942	5.4
104.22800	1.3
108.08117	11.2
109.02888	11.9
109.06508	1.6
110.06059	2.6
112.07626	1.7
122.06029	6.7
123.04434	2.3
123.46938	1.3
125.05977	4.6
126.05519	6.3
126.09135	4.8
127.03909	21.2
130.06548	4.1
136.07579	15.0
137.02332	2.2
139.03926	4.1
140.05957	2.2
140.07060	44.4
141.07304	1.3
143.11765	4.3
145.04951	14.9
147.04417	3.2
150.09087	3.8
151.03903	3.2
152.07056	18.8
153.01804	4.4
154.08638	6.4
163.03923	1.9
163.05920	2.2
164.07054	19.9
165.01816	1.6
171.11304	3.8
173.02353	2.7
178.08618	15.0
182.08124	100.0
183.08461	2.2
191.03418	2.8
201.01837	4.9
201.05466	1.6
202.08649	1.3
206.08107	41.3
218.08154	3.6
229.01337	5.6
229.04962	4.6
229.07616	1.1
231.02808	1.6
236.09163	4.6
247.02347	5.1
248.09187	9.6
257.00781	10.0
257.04456	2.3
275.01813	10.8
285.00406	9.2
285.03552	1.8
289.81598	1.2
302.00525	4.9
302.03818	1.5
302.07190	1.3
303.01334	68.2
303.04987	54.0
303.08328	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	302.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50452	0.9
57.03422	2.4
60.24052	1.1
60.67216	1.1
61.02907	2.5
61.14619	0.9
65.03939	2.4
67.05498	29.6
69.03420	14.0
69.07069	11.0
71.28214	3.0
71.28587	1.0
71.48451	1.0
81.03407	5.2
81.52113	1.1
84.08125	1.2
85.02894	32.8
95.04964	41.2
95.05562	2.5
96.05291	1.1
97.02888	31.4
97.46098	0.9
99.04460	2.6
103.03947	2.9
109.02873	5.5
112.07590	32.2
113.05995	3.2
122.06051	1.5
123.04401	2.4
124.07561	1.5
127.03890	6.9
128.02338	1.0
136.07539	1.7
140.07054	100.0
141.07388	1.3
145.04938	2.9
152.07094	1.3
154.08568	5.0
178.08643	3.1
182.08119	55.6
183.08522	1.5
206.08118	12.1
218.08138	1.9
248.09148	7.9
284.11084	1.5
302.12546	1.3
302.16760	1.2
303.01279	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.216
Annotation	Triptonoterpene
Peak:m/z	Relative Intensity
55.05513	3.9
55.53983	0.5
57.03428	0.7
57.07062	0.4
59.04990	1.0
66.47217	0.4
67.05505	2.8
69.03407	1.9
69.07063	2.5
70.85728	1.4
71.04991	0.6
73.66870	0.4
76.95757	0.4
79.05491	2.5
81.07051	2.7
83.04979	13.0
83.08620	0.9
85.40684	0.4
91.05476	3.9
93.07041	5.5
95.04958	0.6
95.08599	5.4
97.06548	3.4
105.07034	5.0
107.04937	0.7
107.08575	4.5
109.06508	1.5
109.10149	4.4
111.08069	1.9
117.07019	2.2
119.08582	10.0
121.06500	1.7
121.10137	3.8
123.08096	0.5
123.11696	1.6
128.06241	0.6
129.06961	2.0
131.08551	4.8
133.06523	0.6
133.10112	3.1
135.08034	1.3
135.11667	1.1
137.09621	0.9
140.72211	0.5
141.06935	0.6
142.07796	0.8
143.08562	3.6
144.09363	0.6
145.06490	1.5
145.10117	5.9
146.07268	0.5
147.08047	12.8
147.11668	2.0
148.08379	0.5
149.09610	9.7
150.08746	0.5
155.08545	1.0
156.09282	1.2
157.10083	4.3
158.07256	0.8
158.10924	0.6
159.08044	3.7
159.11676	2.9
160.08815	0.7
161.09612	3.6
161.13213	1.8
163.11198	2.2
169.10107	2.1
170.10907	1.0
171.08080	3.9
171.11670	3.6
172.08820	0.7
173.09599	5.1
173.13248	5.4
174.10219	0.5
175.11185	3.1
175.14717	0.5
181.10173	0.9
183.11670	0.9
184.12407	0.7
185.09587	1.7
185.13271	4.8
186.10417	2.2
187.11201	4.7
187.14801	2.2
189.12704	3.3
195.11705	0.9
197.13260	1.4
198.10460	0.8
199.11174	2.4
199.14793	2.7
201.12749	1.9
201.16368	0.7
203.14304	2.1
209.13229	1.3
211.11162	0.6
211.14793	2.3
212.11938	0.9
213.12756	5.2
213.16354	2.0
215.14294	9.3
216.14676	0.6
217.15764	0.7
223.14729	0.8
225.16272	0.9
226.13530	0.6
226.17070	0.6
227.14290	3.6
227.17792	0.7
241.15857	1.5
255.21097	6.1
256.21509	0.6
265.19501	1.6
273.22150	3.5
283.20520	4.7
301.21597	100.0
302.21912	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	302.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61509	0.8
53.03941	1.7
55.01853	1.2
57.03424	2.4
57.56232	0.7
61.02914	2.6
65.03928	1.5
67.05502	30.4
69.03429	15.3
69.06716	1.3
69.07066	18.0
70.03107	3.9
71.04967	0.9
73.02919	1.8
79.99730	0.8
81.03404	5.0
84.08160	1.3
85.02904	38.7
85.03415	1.9
92.52066	0.8
94.06554	1.8
95.04967	43.8
96.01012	0.8
97.02890	33.1
98.20820	1.1
99.04433	2.1
103.03944	5.1
109.02891	7.0
112.07603	30.9
113.05969	4.1
121.06554	1.0
122.06032	1.8
123.04414	2.5
124.07568	1.9
127.03904	9.3
130.08635	0.8
136.07574	2.3
140.07062	100.0
141.07368	2.3
145.04924	4.8
151.03969	1.3
153.01797	1.1
154.08630	5.8
158.08118	0.9
164.07060	1.4
178.08609	3.5
182.08127	61.0
206.08104	14.2
206.09900	1.5
218.08147	2.8
236.09131	1.8
248.09174	9.7
257.00790	1.5
266.10199	1.0
275.01749	1.3
284.11194	1.5
285.00247	1.2
302.12390	3.4
303.01352	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	301.216
Annotation	4-Oxoretinol
Peak:m/z	Relative Intensity
53.57536	0.5
54.06358	0.5
55.05482	0.9
57.03432	0.8
57.07072	2.6
64.25996	0.5
65.73024	0.5
67.05503	1.9
69.03426	1.3
69.07060	1.0
70.06596	3.4
70.16143	2.7
74.72017	0.5
79.05493	0.8
81.07056	4.4
83.08594	0.7
88.07646	4.2
91.05476	6.2
93.07037	2.3
95.04934	0.7
95.08578	2.8
102.09150	1.1
105.07013	2.2
106.08652	2.3
107.04953	1.7
107.08586	2.2
109.06496	0.8
109.10121	2.7
113.09678	0.6
117.07015	1.6
119.08575	13.7
121.06496	1.5
121.10133	1.2
123.08047	0.7
123.11689	6.3
129.07005	1.9
131.08559	1.8
132.05733	4.5
133.10127	1.6
135.08057	0.8
135.11678	0.8
139.11183	1.8
141.12769	0.7
143.08521	0.7
145.06462	1.1
145.10097	1.0
146.07266	1.0
147.08041	100.0
148.08337	2.3
149.09624	10.7
158.07237	1.3
159.08060	3.6
159.11639	1.0
161.09615	11.4
167.14310	1.0
169.10100	1.0
171.08047	1.4
172.08804	1.2
173.09651	4.4
175.11209	1.9
177.09157	0.7
185.09651	1.3
187.11179	20.3
188.11560	0.9
189.12740	2.0
191.10634	0.7
199.11169	3.3
201.12785	1.1
203.14310	0.6
213.12691	3.9
215.14363	0.8
227.14328	1.5
230.05394	0.5
283.20511	6.9
284.29538	2.4
301.21606	18.9
302.30524	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	301.216
Annotation	4-Oxoretinol
Peak:m/z	Relative Intensity
54.21317	0.4
55.05514	2.6
56.98476	0.4
57.03432	1.2
57.07048	0.8
67.05510	2.9
69.03430	0.9
69.07076	2.9
69.49368	3.5
70.06600	0.5
71.04957	0.5
79.05479	1.9
81.07057	4.5
82.32107	0.4
83.04974	2.6
83.08593	0.8
85.06535	0.7
91.05481	8.1
93.07038	3.2
95.04972	0.8
95.08603	4.0
97.06516	2.0
97.10151	1.0
105.07029	4.5
107.04956	1.8
107.08593	4.1
109.10160	4.4
111.08103	1.0
113.09631	0.7
115.05433	0.8
116.06229	0.5
117.07024	2.7
119.08578	16.2
121.06504	1.7
121.10142	3.1
123.08090	0.6
123.11703	5.7
127.11204	0.7
128.06229	0.8
129.06978	2.5
131.04900	0.8
131.08557	2.9
132.05714	5.4
133.06506	0.5
133.10114	2.5
135.08029	1.2
135.11697	0.9
137.13255	0.8
139.11179	1.3
142.07771	0.6
143.08572	2.2
145.06483	1.7
145.10133	3.0
146.07317	1.1
147.08040	100.0
147.11732	1.2
148.08423	2.1
149.09616	15.4
149.10565	0.3
155.08525	1.2
156.09233	0.6
157.10135	2.1
158.07263	1.5
159.08070	4.2
159.11700	1.7
160.08862	0.5
161.09607	6.8
161.13298	0.6
163.07512	0.5
163.11160	1.4
169.10138	1.1
170.10818	0.7
171.08040	2.2
171.11688	1.5
172.08841	1.2
173.09624	6.4
173.13243	2.0
175.11160	3.5
183.11784	0.6
185.09634	2.4
185.13261	2.4
186.10423	0.8
187.11177	16.8
187.14763	0.9
189.12723	3.0
198.10350	0.5
199.11200	3.0
199.14825	0.7
201.12692	2.5
203.14337	1.3
204.14532	0.5
211.11148	0.7
211.14796	0.6
213.12729	4.2
213.16301	0.9
214.13112	0.4
215.14314	3.2
217.15862	0.7
227.14337	2.5
229.15921	0.6
241.15881	1.1
255.21129	3.8
273.22250	1.2
283.20523	5.7
301.03516	0.6
301.07208	0.9
301.10632	0.7
301.21603	42.0
302.21893	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2159
Annotation	4-Oxoretinol
Peak:m/z	Relative Intensity
55.01879	0.8
55.05510	4.2
57.03432	1.0
57.07071	1.6
59.05004	0.7
67.05494	5.0
68.10937	0.6
69.03403	2.2
69.07063	4.3
70.99095	1.1
70.99425	0.7
79.05484	3.6
81.07070	4.4
83.04984	2.9
83.08586	1.8
85.06515	1.1
91.05484	3.5
93.07043	7.7
95.04949	2.1
95.08597	7.0
97.06508	2.3
97.10163	1.2
103.05457	0.9
105.07023	7.2
105.24754	0.6
107.04968	1.2
107.08591	6.8
109.06496	2.2
109.10149	5.8
111.08058	1.6
112.00115	0.6
113.09631	0.9
117.07014	2.7
119.08569	12.6
121.06487	3.0
121.10136	6.2
123.08092	1.7
123.11707	1.8
125.09586	1.0
128.06223	1.1
129.05496	0.8
129.06984	2.2
130.07796	0.8
131.08566	5.8
133.10138	4.1
135.08011	3.9
135.11658	2.1
137.09627	1.4
142.07776	1.4
143.08566	5.5
145.06448	2.2
145.10104	7.5
147.08032	12.9
147.11633	3.1
149.09612	12.8
149.13199	0.8
155.08566	2.0
156.09328	0.9
157.06454	1.2
157.10072	4.6
158.07295	0.9
159.07997	4.0
159.11684	4.1
160.08765	1.0
161.09616	4.6
161.13232	2.1
163.11172	2.3
169.10106	2.1
170.10878	1.0
171.08055	3.1
171.11679	4.6
172.08841	1.4
173.09637	5.6
173.13255	6.0
175.11176	4.7
177.12778	1.0
181.10126	0.9
182.10863	0.8
183.11703	1.3
185.09668	3.6
185.13252	5.7
186.10323	2.5
187.11150	5.7
187.14824	2.7
189.12718	3.6
191.14238	1.3
195.11694	1.2
197.13240	1.3
198.10405	0.9
199.11124	2.1
199.14790	2.8
200.11845	1.0
201.12671	3.5
201.16260	0.8
203.14346	2.1
209.13275	1.5
211.14792	2.0
213.12695	5.6
213.16292	0.7
215.14336	9.1
217.15892	1.0
223.14828	1.4
225.16354	1.8
226.66147	0.7
227.14305	5.0
227.17834	0.7
229.15781	0.9
241.15889	2.2
241.19499	0.9
243.17389	0.7
245.15205	0.7
255.21069	7.5
265.19534	2.1
273.22134	2.0
283.20544	9.0
284.62958	0.7
301.03436	1.6
301.10699	1.8
301.21597	100.0
301.28696	2.9
302.21939	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	301.216
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
55.05506	6.2
57.03429	1.9
57.07066	2.2
65.03923	2.3
67.05502	16.3
69.01318	1.1
69.03413	2.8
69.07060	6.9
69.33785	2.5
69.34185	12.5
71.04981	3.0
75.03418	1.0
79.05492	7.3
79.55672	1.4
79.56152	1.1
81.07045	14.3
83.04952	4.5
83.08611	3.4
85.06517	1.4
91.05484	7.4
93.07036	12.0
93.92520	1.2
95.04964	100.0
95.08606	11.6
97.06509	7.5
98.20735	2.3
99.45365	1.1
105.07037	11.8
107.04966	1.5
107.08598	13.2
107.60028	1.5
109.05785	2.0
109.06519	41.3
109.10152	6.2
111.08067	2.2
111.11695	1.4
117.07029	2.9
119.08595	9.4
121.06498	17.7
121.10136	7.8
123.08033	7.0
123.11686	4.4
131.08530	1.6
133.10109	7.8
135.08051	33.0
135.11679	4.6
136.08420	1.8
137.09598	2.5
145.10127	4.1
147.08017	1.8
147.11684	3.5
149.09598	5.1
149.13193	1.8
151.11230	1.5
157.10046	1.3
159.08144	1.5
159.11754	2.8
161.09593	1.5
161.13261	2.7
163.11197	3.8
163.14905	1.3
169.10286	1.5
173.13277	2.4
175.11275	1.2
175.14771	3.7
183.11595	1.3
191.14369	2.8
193.15874	15.7
229.15741	1.4
283.20377	1.7
301.03442	3.8
301.07001	4.2
301.16476	2.4
301.21619	55.2
301.24963	2.1
301.29346	1.6
301.33017	3.4
302.21945	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2161
Annotation	4-Oxoretinol
Peak:m/z	Relative Intensity
54.21571	0.3
55.01861	0.8
55.05495	1.3
57.03421	0.4
57.07056	0.6
59.31316	0.4
59.42688	0.4
66.13095	0.3
67.05505	2.1
69.03432	0.7
69.07056	1.5
70.85575	0.9
71.04977	0.6
75.17638	0.3
76.32391	0.3
78.89459	0.4
79.05485	1.1
80.09319	0.4
81.07056	3.6
82.37125	0.3
83.04955	0.7
83.08601	1.0
91.05471	5.1
92.25595	0.3
93.07057	1.9
93.15641	0.3
95.08599	1.9
95.48710	0.3
97.06540	0.8
97.10134	0.5
105.07006	1.7
107.04958	2.4
107.08575	1.6
107.46995	0.3
109.10169	2.3
117.07011	1.6
119.08572	13.0
121.06544	1.0
121.10115	1.4
123.11697	5.0
125.09673	0.4
126.47009	0.4
128.06250	0.8
129.07010	1.4
131.04895	0.5
131.08562	1.2
132.05698	4.8
133.10147	0.7
135.08051	0.8
135.11667	1.3
139.03859	0.5
139.11168	1.0
141.12775	0.4
143.08478	0.4
145.06491	1.1
145.10118	0.8
146.07251	0.6
147.08037	100.0
148.08427	1.8
149.09625	6.7
149.13292	0.5
155.08630	0.4
157.08650	0.4
157.10194	0.4
158.07231	1.3
159.08080	3.3
159.11722	0.9
161.09624	4.8
167.14279	0.6
171.08081	1.0
171.11623	0.5
172.08833	1.0
173.09631	2.8
175.11186	1.9
184.08824	0.6
185.09602	0.6
185.13281	0.6
187.11177	19.1
189.12758	0.7
199.11220	1.8
201.12659	0.9
203.14407	0.5
213.12732	2.2
227.14244	0.6
237.51324	0.3
241.15703	0.5
283.20511	5.2
301.03488	0.9
301.06851	0.4
301.21573	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	301.2165
Annotation	4-Oxoretinol
Peak:m/z	Relative Intensity
55.01855	1.6
55.05494	3.4
56.96548	1.5
57.03416	2.4
57.07080	2.0
62.19634	1.3
67.05494	4.1
69.07048	2.4
69.24375	1.0
71.59833	1.6
73.51074	1.0
79.05479	3.4
81.03380	1.1
81.07066	7.5
82.81541	1.2
83.04976	4.0
83.08607	2.3
85.02915	1.2
85.06535	1.4
88.71538	1.1
89.66883	1.1
91.05466	7.7
93.07036	4.3
94.08221	1.0
95.04960	2.1
95.08600	7.4
97.02887	1.2
97.06507	1.5
97.10175	2.3
98.97572	1.5
105.07031	5.2
107.04959	2.8
107.08584	4.5
109.06493	1.8
109.10181	5.7
111.08097	1.3
116.98597	1.6
117.06999	1.9
118.70271	1.1
119.08575	16.4
121.06464	1.8
121.10136	3.6
123.08038	1.3
123.11686	7.5
129.06979	2.4
131.08582	2.3
132.05724	5.1
133.06456	1.1
133.10106	4.1
135.08052	1.5
135.11769	1.7
137.06004	1.2
139.11134	1.7
140.07007	1.2
141.06998	1.3
143.08566	1.7
145.06438	1.7
145.10136	2.2
147.08037	100.0
148.08374	2.0
149.09602	10.1
149.13239	1.6
150.44968	1.1
150.68987	1.1
152.07950	1.1
153.06985	1.4
155.08498	1.4
159.08040	3.9
159.11690	3.2
161.09607	5.2
163.11145	1.3
171.08049	2.5
171.11670	1.3
172.08862	1.3
173.09631	5.3
173.13231	1.3
175.11179	2.5
175.14830	1.3
181.06520	1.8
185.09613	2.8
187.11165	23.8
189.12672	1.5
199.11105	3.3
201.12741	2.7
201.14513	1.0
201.16446	1.4
207.23462	1.0
213.09091	1.2
213.12836	2.5
220.09813	1.1
255.21033	2.0
273.11526	1.4
283.17218	1.0
283.20502	6.2
295.20990	1.2
301.03757	7.0
301.07065	3.2
301.10620	8.5
301.21719	13.4
301.25052	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82321	1.7
53.03928	2.5
54.41637	1.4
55.01868	30.0
55.05264	1.8
55.05509	26.6
57.03433	57.8
58.30656	1.3
59.46742	1.4
60.02154	1.7
61.02922	1.7
65.03926	1.8
66.92409	1.5
67.05175	2.3
67.05502	29.2
69.03403	7.7
69.07059	11.8
71.04971	2.0
73.02912	15.3
79.05489	24.6
81.03419	7.6
81.07051	22.4
82.04196	8.4
83.04971	15.6
83.08617	10.9
85.02880	2.8
85.06538	2.5
91.04958	2.6
91.05473	16.0
93.07055	15.5
95.04961	12.3
95.08597	9.1
97.02863	2.1
97.06524	9.8
97.10168	23.4
98.07313	9.4
101.05994	4.1
105.07022	11.8
107.04963	2.2
107.08588	15.3
109.06501	3.9
109.10138	4.8
111.04482	2.0
111.08061	4.9
116.04704	43.7
117.07002	4.5
119.08588	9.6
121.10145	6.1
123.08052	6.8
125.09622	25.4
126.10415	3.4
129.05469	100.0
129.07002	3.9
131.08556	6.4
133.10130	11.1
135.08022	4.4
135.11676	2.2
137.09605	3.7
143.07025	22.4
143.10677	2.5
145.10118	3.2
146.10950	1.4
147.11661	6.1
149.09627	2.5
153.09055	2.3
157.08595	43.1
157.09985	4.3
159.11618	2.4
163.11157	3.4
164.11995	2.1
165.12711	3.3
171.10185	14.3
175.09712	1.5
175.11174	6.3
185.11720	6.0
186.98837	1.5
189.09583	2.5
189.11224	28.9
193.12245	5.8
199.13243	8.3
200.14032	11.2
207.45192	1.5
210.12491	4.1
211.84166	1.4
227.12750	15.2
228.93932	1.3
229.22919	1.8
236.67807	1.5
240.86020	1.5
301.03467	3.4
301.06967	4.1
301.16449	80.1
301.21783	4.7
301.24838	2.7
302.16675	2.1
306.19916	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	301.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38152	1.8
55.01628	2.6
55.01870	34.2
55.05503	31.7
57.03434	56.3
57.07054	1.6
61.02905	1.9
65.03933	3.1
67.05156	2.7
67.05497	28.0
69.03422	9.2
69.07064	11.8
69.92941	9.0
70.04180	1.5
71.05000	1.8
73.02911	18.0
79.05487	32.3
81.03413	8.0
81.07049	27.9
82.04198	8.2
83.04977	20.4
83.08608	12.3
83.94677	1.5
85.02908	3.7
85.06557	2.1
87.04434	1.6
91.05458	19.8
93.07034	22.0
94.07829	1.8
95.04951	15.3
95.08598	26.1
97.02884	2.9
97.06524	12.1
97.10165	24.1
98.07304	13.1
98.21439	2.5
99.04440	2.5
101.05997	4.9
105.07037	13.1
107.04944	5.5
107.08599	21.1
109.06501	4.6
109.10137	9.0
111.04431	3.0
111.08070	5.5
116.04710	44.0
116.05556	2.2
117.06995	4.0
119.08571	11.0
119.26385	1.6
121.06512	2.7
121.10143	10.1
123.08056	6.0
123.11728	3.7
125.05971	2.9
125.09624	24.4
129.05469	100.0
129.06967	3.8
131.08560	8.6
133.10135	15.8
135.07997	3.8
135.11679	9.4
137.09586	2.5
143.07039	20.7
145.10144	5.2
147.08041	2.2
147.11674	8.6
148.32692	1.5
149.09566	4.0
149.13321	3.5
150.23112	1.5
151.11188	1.9
153.09122	2.3
157.08611	41.8
157.10094	7.0
159.11685	3.2
161.13202	3.1
163.11172	3.8
167.07007	1.6
171.10141	12.7
171.81822	1.9
173.13329	2.8
175.11182	4.0
177.16116	1.7
181.12254	2.2
185.11766	3.8
189.11209	29.4
193.12251	6.8
199.13211	9.0
199.14902	2.5
200.14061	11.8
227.12718	16.0
283.20764	2.7
301.03397	2.9
301.06845	2.7
301.16437	76.4
301.21609	16.1
301.25067	4.2
301.28674	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2895
Annotation	3-ketosphinganine
Peak:m/z	Relative Intensity
54.23437	1.0
55.05507	6.8
56.05032	11.0
57.06821	1.1
57.07072	11.7
60.04522	11.4
67.05497	7.6
69.07063	5.6
70.06587	2.7
71.04975	1.3
71.08617	5.7
71.61350	1.5
79.05476	3.8
81.07059	7.7
83.04951	2.1
83.08607	5.5
85.06523	1.7
85.10172	2.4
86.06049	4.5
91.05499	1.5
93.07032	4.1
95.08609	9.1
97.10140	2.7
105.07013	1.4
107.08554	2.6
109.10156	4.0
111.63737	1.1
113.98652	1.1
119.08607	2.8
123.11663	1.6
131.08578	1.3
133.10092	1.6
145.10088	1.8
147.08017	1.5
159.11676	1.3
177.02484	1.2
194.68538	1.2
240.26805	1.9
254.28464	7.7
264.26694	1.5
270.27917	22.3
279.64792	1.6
281.03342	1.2
282.27933	22.2
300.12341	1.8
300.15680	1.9
300.28961	100.0
300.32230	4.3
301.03705	2.3
301.06821	1.9
301.10461	1.2
301.21524	3.4
301.29218	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01865	31.4
55.05504	34.1
56.96558	2.1
57.03431	52.8
57.07064	3.6
60.02122	2.2
61.02936	1.9
65.03929	2.4
67.05501	30.3
69.03418	5.8
69.07069	14.5
71.04991	3.1
71.60201	2.8
73.02908	15.5
79.05485	29.9
81.03429	9.5
81.07059	25.3
82.04183	8.9
83.04977	18.8
83.08614	13.5
84.60127	1.8
85.02870	2.5
85.06513	2.7
86.09697	2.9
87.79086	1.9
91.05468	20.0
93.07035	21.7
94.07301	1.8
95.04958	17.6
95.08591	11.9
97.02901	3.8
97.06502	11.9
97.10160	22.2
98.07304	10.7
99.08100	2.3
101.06011	3.8
104.10715	6.0
105.07009	15.2
107.04954	4.7
107.08587	19.1
109.06477	5.4
109.10143	8.2
111.08040	5.3
111.11686	2.0
112.08923	1.9
116.04705	43.7
117.07020	6.6
119.08575	9.4
121.06427	3.4
121.10142	9.7
123.08060	8.9
125.09640	22.4
126.10380	2.9
129.05463	100.0
129.06973	4.2
130.07832	2.0
131.08533	9.8
133.10103	12.5
135.07993	4.4
135.11681	4.4
137.09576	5.3
138.52930	2.7
143.07013	19.6
145.10091	7.5
147.08026	2.8
147.11684	9.8
151.11217	2.5
153.09082	2.8
157.08607	46.7
157.10081	6.8
157.53716	3.6
158.55412	4.6
159.11676	3.1
163.11122	4.8
165.12704	2.6
167.10660	1.9
171.10162	13.2
175.11127	4.0
175.14879	2.2
178.38774	1.9
181.12244	2.3
184.07339	5.4
185.11758	4.3
185.13422	1.8
189.11209	36.7
193.12265	3.9
199.13301	6.6
200.14081	12.9
209.11804	2.8
221.22313	1.8
227.12704	17.8
228.13480	2.7
240.09929	4.7
253.22493	2.2
280.65530	4.3
283.20523	2.2
301.03427	10.9
301.06815	4.3
301.16458	90.4
301.21640	8.5
301.25305	5.5
301.29120	3.5
302.16803	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.6
55.05500	1.3
56.96562	6.1
57.03432	8.0
57.07070	1.5
59.05006	1.5
59.82516	0.8
61.02923	8.3
61.90572	1.0
62.06068	1.6
63.98103	0.8
67.05480	3.5
68.04996	1.3
69.03424	16.7
70.06583	1.3
71.01353	0.8
71.04984	3.7
71.40194	0.8
71.40540	1.4
72.33145	0.8
73.02892	5.6
74.75155	0.9
76.22513	0.9
81.03419	6.4
83.01315	0.9
83.04990	1.5
83.06101	3.6
84.08104	1.1
85.02897	33.9
85.06534	10.3
86.03242	1.1
87.04448	3.8
91.03943	3.0
92.04938	1.2
93.04496	2.1
94.06562	1.8
95.06089	18.5
97.02884	15.8
98.97566	4.4
99.04422	4.6
100.07591	1.0
103.07583	1.8
109.02870	4.4
109.07650	4.2
110.06023	1.9
110.07154	45.4
111.05518	1.0
112.08730	2.0
112.99141	1.2
115.03934	1.0
116.07085	1.2
116.98620	1.8
117.05479	1.2
119.01888	3.0
120.08090	12.7
121.04089	0.9
121.06504	3.1
121.08602	2.7
122.06029	1.6
122.09691	1.2
123.06856	0.9
124.99158	0.8
127.03915	8.1
128.02374	1.1
128.98601	1.4
131.00204	1.4
131.01849	2.1
132.03419	1.1
133.03458	2.4
134.07129	2.1
134.99626	1.2
136.06172	1.9
138.05490	67.2
138.09125	21.1
139.05881	2.2
140.07002	1.0
143.01874	1.1
145.03412	1.4
145.04945	4.6
146.99637	1.2
147.05035	1.6
149.01210	1.6
149.02922	1.3
149.06587	2.3
150.05510	1.5
152.07057	0.8
152.08226	2.8
153.05736	2.9
153.55879	1.0
155.01891	1.8
156.07678	2.9
157.03448	2.5
158.99635	1.6
159.03235	1.6
159.05026	3.0
161.02937	2.0
161.05583	6.3
161.06638	1.8
162.02991	1.0
162.06377	1.6
163.02754	1.3
163.04446	2.0
163.06023	0.9
169.04486	1.0
170.05182	6.4
170.06284	2.5
173.01408	1.2
173.02980	2.7
175.04539	3.6
175.06152	0.9
176.07214	0.9
177.00604	1.4
177.04294	2.0
177.05994	1.2
178.04900	2.1
185.02928	0.9
185.06531	1.2
185.12793	0.9
187.04471	1.0
189.00624	0.8
189.06049	1.6
193.98962	0.8
195.05293	1.2
197.12831	9.8
198.06731	0.8
198.08737	1.2
198.98592	0.9
199.04514	1.5
201.04337	1.0
201.06070	1.4
203.07660	2.3
206.04449	1.5
212.13922	73.5
213.14217	1.2
214.15565	2.1
215.07610	3.8
216.07843	0.9
217.09212	1.1
219.01674	2.4
219.07268	7.3
221.05086	3.7
222.05217	0.9
231.07056	1.2
236.14000	1.1
237.02779	4.0
238.15363	2.0
242.07536	1.9
245.05034	1.7
254.14967	19.4
256.07309	0.9
256.16641	1.0
258.14487	20.7
264.00897	0.9
264.08707	0.9
272.93936	0.9
275.09674	1.7
276.09995	0.9
282.09741	2.6
282.14511	4.7
300.10623	22.8
300.15466	100.0
300.60089	1.7
301.08807	11.2
301.15790	2.5
305.10867	10.0
306.10953	1.4
307.07040	1.7
319.08759	1.5
321.10248	3.4
322.10135	1.0
323.11786	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	300.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75838	0.4
51.66183	0.4
57.03431	2.6
57.07072	0.5
59.95002	0.4
62.06080	3.3
65.69402	0.4
67.05490	1.0
69.03425	1.7
70.06571	0.6
71.21001	0.7
71.21327	0.4
73.02914	0.6
80.73711	0.3
81.03417	0.7
82.05325	0.6
83.06088	2.2
85.02894	3.2
85.06527	4.9
86.09675	0.6
91.03977	0.4
92.05016	0.7
93.04521	1.3
94.06559	3.0
95.06078	13.8
95.06696	0.7
97.02895	1.5
98.97552	0.5
99.04472	0.6
103.07574	0.6
104.10714	0.9
109.07639	3.7
110.06089	1.9
110.07154	34.9
111.05553	0.4
111.07570	0.4
112.08720	1.4
119.01949	0.5
120.08070	0.4
120.21207	0.4
121.06461	0.7
123.64445	0.3
127.03921	0.9
134.07135	2.2
136.08690	0.6
138.05487	100.0
138.09126	1.5
139.05853	2.9
139.08617	0.5
139.42439	0.4
140.28297	0.4
145.04912	0.4
152.08173	2.8
153.01758	0.4
154.09697	0.4
156.07683	2.3
156.51776	0.4
156.97441	0.5
161.05585	0.4
174.98436	0.6
180.97433	0.5
184.07318	0.9
184.12013	0.9
185.02974	0.3
193.03185	0.7
197.12836	8.1
198.08759	1.1
198.98538	4.1
212.13916	52.7
213.12296	0.9
213.14232	1.1
214.15532	1.8
214.68961	0.4
216.99516	1.5
221.05096	0.5
228.99496	0.7
236.13992	1.2
238.15488	1.0
254.14970	14.5
256.16565	0.9
258.14484	16.1
258.17252	0.8
271.08960	0.4
282.14417	4.5
300.10736	36.5
300.15479	75.8
301.01593	0.5
301.08682	8.2
301.15756	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	300.1074
Annotation	anthraniloyl-O-glucose
Peak:m/z	Relative Intensity
57.03433	0.7
57.07057	0.3
61.02916	0.3
62.06081	0.9
65.03931	0.2
65.49657	0.2
67.05495	0.3
69.03419	0.5
69.71269	0.1
71.17252	0.1
71.59914	0.3
81.03414	0.4
82.05339	0.3
83.06100	1.0
85.02895	1.2
85.06536	1.8
86.09692	0.3
92.04988	0.4
93.04528	0.6
93.05772	0.3
94.06566	2.5
95.06087	5.3
96.04485	0.5
97.02894	0.3
104.10740	0.4
109.07643	1.2
109.08295	0.2
110.06047	2.3
110.07155	13.2
111.05540	0.3
112.08728	0.4
119.01913	0.2
120.08057	0.2
121.06541	0.3
124.09293	0.1
125.00019	0.2
131.01920	0.2
134.07117	0.5
136.08693	0.2
138.05490	100.0
139.05844	0.9
139.08611	0.3
152.08174	0.9
156.07672	0.7
156.19308	0.2
156.97490	0.2
162.07629	0.2
168.08789	0.2
174.98570	0.3
184.07370	0.2
184.12010	0.4
185.12785	0.3
197.12833	2.8
198.98512	1.8
212.13925	19.4
213.12383	0.3
214.15517	0.7
216.99551	0.7
218.94713	0.2
219.06030	0.2
228.99638	0.3
236.14120	0.4
245.05122	0.2
254.12360	0.3
254.14993	5.3
256.16544	0.3
258.14487	5.4
282.14404	1.3
300.10782	35.6
300.15524	23.7
301.08710	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47880	1.1
53.03937	2.8
55.05507	29.2
57.03403	1.2
57.06791	1.5
57.07071	29.1
57.30372	1.2
59.04985	2.2
61.05602	1.1
65.03928	2.1
67.05498	50.7
69.07060	55.2
70.07396	1.6
71.04967	2.0
71.08626	16.9
71.60212	1.4
71.60598	1.4
79.05482	7.6
81.07049	100.0
82.07374	3.4
83.04974	1.5
83.08610	43.3
85.06535	27.9
85.10178	7.1
91.05450	3.4
92.87495	1.0
93.07011	5.3
93.47696	1.1
94.47021	1.2
95.04932	1.3
95.08598	91.5
96.08934	3.7
97.09533	2.0
97.10162	37.7
98.97547	1.6
99.08070	3.6
100.55556	1.2
105.07023	4.2
107.08567	5.0
108.74043	1.2
109.06493	1.1
109.10146	60.7
111.11703	23.3
111.12440	2.1
113.05208	1.1
113.09693	1.3
119.08565	3.6
121.10132	2.7
123.08122	1.4
123.11703	29.8
125.13239	5.9
129.06998	1.5
131.08562	2.7
133.10143	3.2
135.08078	1.5
135.11665	2.1
137.13243	17.7
142.63721	1.1
143.08542	3.1
145.10123	2.9
147.07997	2.4
147.11682	1.6
149.13283	1.3
151.14781	8.8
157.10109	2.7
158.80727	1.0
159.08038	1.4
159.11679	2.3
161.09627	2.7
161.69966	1.1
165.16403	4.0
171.11655	2.8
173.09525	1.2
177.09204	1.4
179.17966	2.5
185.13312	1.3
187.11116	1.5
193.19461	1.7
197.09619	1.3
197.13461	1.6
199.11137	1.6
201.96782	1.1
207.21008	2.3
211.11189	1.2
224.07793	1.0
225.12756	1.1
239.14220	2.4
241.15921	1.6
253.19817	1.6
263.27298	12.3
267.10477	1.8
275.48383	1.1
281.18979	4.4
281.28275	7.0
299.05768	2.4
299.09210	3.8
299.19995	11.2
299.23639	3.0
300.09549	1.2
300.20157	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75602	1.2
53.03931	2.5
54.65422	1.2
55.05505	29.1
57.07069	29.2
65.03930	1.7
67.05495	41.7
69.03404	1.6
69.07063	47.8
71.04984	4.9
71.08624	17.9
71.60488	2.2
79.05485	8.2
81.03391	1.7
81.07051	100.0
83.04973	2.1
83.08611	39.5
85.06526	3.8
85.10178	8.6
91.05446	6.9
93.07043	9.6
95.04983	2.1
95.08600	92.2
96.08933	1.9
97.10160	31.6
99.08057	3.1
105.07011	8.3
107.04946	1.6
107.08577	7.0
109.06471	2.6
109.10146	56.4
110.10427	1.3
111.08065	1.7
111.11715	18.7
114.03414	1.3
117.07011	3.0
119.04945	1.2
119.08569	9.1
121.06474	3.2
121.10127	6.6
123.08066	2.3
123.11697	30.6
125.13256	6.2
129.06967	3.5
131.08598	6.1
133.10124	4.3
135.08022	3.1
135.11673	4.2
137.02306	1.7
137.13242	17.2
141.06978	1.6
142.07770	1.8
143.08560	4.3
145.06496	4.2
145.10124	7.3
147.08040	10.4
147.11723	3.7
149.13235	1.7
151.14740	6.2
153.01855	2.4
155.08562	3.9
156.09363	1.8
157.10104	7.8
159.08020	3.0
159.11723	3.5
161.09578	3.4
161.13225	1.8
165.16374	4.0
169.10127	4.3
171.08012	2.2
171.11662	5.3
173.09583	3.5
173.13257	3.4
179.17941	4.4
183.11618	3.1
185.09569	2.6
187.11208	2.2
189.12758	2.6
195.08012	1.4
197.09587	3.8
197.13127	3.1
199.11169	2.4
199.14731	3.4
203.10608	8.1
207.21167	2.1
209.79161	1.3
211.11150	3.3
211.14819	1.6
213.12819	1.4
215.10724	1.3
223.11151	1.6
223.14842	1.7
229.12082	2.3
237.16527	1.4
239.14384	1.7
241.16064	1.4
243.13734	2.3
253.19470	3.1
263.27240	8.1
281.18964	9.4
281.21939	2.0
281.28256	1.6
284.06808	1.8
299.05667	4.3
299.09180	5.9
299.12653	3.1
299.16599	3.2
299.20023	29.8
299.23535	5.3
299.29282	1.6
300.12460	1.4
300.20441	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	299.2004
Annotation	3-Methoxy-D-homoestra-1,3,5(10),8-tetraen-17abeta-ol
Peak:m/z	Relative Intensity
55.05304	0.8
55.05509	9.2
57.03431	1.8
57.07061	1.8
64.44379	1.3
65.18858	0.9
67.05495	7.1
69.03400	1.5
69.07060	6.3
69.44237	9.8
70.62347	0.9
70.86767	0.9
71.04987	2.7
77.80838	1.0
79.05477	1.9
81.07051	7.4
83.04947	1.9
83.08601	3.0
85.06545	1.5
85.24166	0.9
91.05470	3.5
93.07026	5.2
95.04956	0.9
95.08600	17.5
96.40543	1.0
97.10168	7.0
98.20766	1.9
105.07029	6.3
107.05026	1.1
107.08595	4.9
109.06530	1.2
109.10158	8.8
111.08141	1.3
115.05496	0.9
117.06991	1.4
119.08576	5.2
121.06487	2.3
121.10134	3.9
123.11699	2.5
128.06212	1.1
129.07010	1.2
131.08545	2.5
133.10117	3.2
135.08028	2.7
137.13242	1.2
141.06982	1.7
142.07776	2.1
143.08582	2.6
145.06482	4.3
145.10081	4.8
146.07262	1.8
147.08044	10.3
147.11688	2.8
154.07718	1.2
155.08543	2.7
157.10162	1.6
158.07315	3.2
159.08069	7.7
159.11688	2.1
160.08812	1.4
160.15213	1.0
161.09633	14.3
163.07529	2.1
165.06992	1.2
167.08563	1.9
169.10118	1.9
170.07260	2.5
171.08054	9.9
171.11725	1.6
172.08746	1.4
173.09618	17.9
175.07466	1.2
175.11166	9.2
179.08516	2.0
181.06436	1.7
182.07379	2.4
182.19550	1.1
183.08047	3.5
183.11668	1.4
184.08829	8.9
185.09598	31.1
185.13297	1.5
187.11166	6.4
193.10120	1.3
196.08850	3.7
197.09604	83.4
198.10400	2.5
199.11179	24.8
201.09143	1.2
201.12790	2.5
210.10400	2.3
211.11162	42.0
212.11852	2.8
213.12758	5.9
215.14278	2.4
223.11070	2.2
224.11996	1.4
225.12749	12.0
226.13464	1.5
227.14259	7.4
229.12248	1.5
238.13512	2.5
239.14316	7.3
252.15068	2.2
253.15857	1.8
255.17505	1.5
274.47559	1.2
281.18976	63.2
282.19550	1.1
299.05685	3.8
299.09210	2.3
299.12689	3.8
299.20044	100.0
300.20123	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2004
Annotation	Totarolenone
Peak:m/z	Relative Intensity
55.05498	6.2
55.95431	1.3
57.03405	1.4
57.07073	2.9
59.04485	1.2
67.05500	5.0
69.03414	3.8
69.07050	3.2
69.49919	11.5
79.05482	3.0
81.07045	12.7
83.08627	3.4
83.77769	1.3
85.06544	2.6
88.19551	1.3
91.05482	8.8
91.68333	1.4
93.07034	5.8
95.08601	7.9
97.10152	2.5
99.08089	2.9
105.07039	6.6
107.04907	3.3
107.08591	4.2
109.06511	1.9
109.10138	4.8
111.04516	1.8
117.07003	3.8
119.08571	14.6
121.06491	10.7
121.10164	2.3
123.08054	15.4
123.11684	1.4
128.06229	2.5
129.06973	3.3
131.08566	5.3
132.05692	4.3
133.10126	1.7
135.08070	2.1
143.08577	2.2
145.06467	3.2
145.10144	2.7
147.08037	100.0
149.09619	2.5
157.10110	1.9
158.07263	3.7
159.08058	10.8
161.09618	6.0
163.11220	1.6
167.08409	1.5
169.10106	1.8
171.08005	7.7
173.09604	17.4
175.11240	1.9
183.08047	1.7
184.08878	2.7
185.09583	6.3
187.11150	11.8
196.08881	2.8
197.09598	7.8
197.13188	1.8
198.10313	3.3
199.11171	7.4
201.12737	6.0
210.10332	2.9
211.11168	14.1
211.14627	1.7
213.12737	13.1
215.14359	2.7
225.12726	4.5
239.14272	13.3
241.15833	4.3
257.15311	18.9
271.20526	1.9
281.18976	22.0
299.05978	2.7
299.09048	1.6
299.16580	3.2
299.20041	25.4
299.23413	1.9
299.31161	2.4
300.12485	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2004
Annotation	Totarolenone
Peak:m/z	Relative Intensity
53.03952	1.1
55.01874	1.4
55.05503	4.2
55.44855	0.9
57.07074	6.6
59.70367	0.9
60.04520	1.9
65.89737	1.0
67.05505	8.2
69.03411	2.7
69.07056	6.9
69.52592	6.0
69.53000	1.6
71.04975	1.1
71.08621	3.8
72.08153	18.3
79.05487	3.9
81.07059	14.6
83.04989	1.7
83.08608	3.5
85.10217	0.9
91.05476	11.9
93.07032	4.6
95.04987	1.5
95.08601	11.2
97.06515	3.9
97.10176	2.7
99.08103	1.1
101.06041	1.1
103.05466	0.9
105.07028	6.1
107.04941	1.9
107.08583	4.4
109.06519	1.6
109.10133	6.1
111.08074	2.1
111.11707	1.2
117.07000	4.3
119.08569	17.3
121.06499	9.2
121.10149	4.4
123.08063	20.5
123.11705	1.7
127.07561	1.2
129.06990	2.1
131.08568	5.6
132.05727	5.1
133.10124	4.5
133.22601	1.0
135.08051	2.9
137.09630	1.6
143.08559	3.0
145.06459	2.6
145.10115	4.5
146.07259	1.5
147.08041	100.0
149.09596	4.2
155.08559	1.4
157.06693	1.0
157.10143	3.9
158.07324	1.9
159.08058	14.0
159.10274	1.1
159.11719	2.8
161.09615	7.4
163.11154	1.9
165.12749	2.9
169.10217	1.4
171.08099	3.1
171.11691	2.5
172.84157	1.1
173.09618	17.2
173.13190	2.2
174.10239	1.5
175.11163	2.0
183.11658	1.9
185.09618	2.7
185.13219	3.1
187.11180	8.0
187.14766	1.6
189.12727	2.3
193.10091	1.7
195.08041	1.0
197.09573	5.6
197.13225	2.2
198.10410	1.0
199.11197	3.3
201.12787	6.1
203.14345	1.7
210.10373	2.3
211.11137	6.1
211.14798	2.3
211.20473	1.8
213.12698	5.5
215.10889	1.2
215.14360	3.4
221.13234	2.8
225.12819	1.7
227.14246	1.2
229.12303	1.1
239.14310	10.3
241.15811	1.8
243.13860	1.7
253.15929	1.5
253.19408	1.4
257.15384	16.7
271.20557	3.6
281.19016	13.3
282.27893	12.5
299.05609	3.2
299.20053	60.0
299.27548	1.8
299.30573	20.4
300.20282	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	299.2005
Annotation	Totarolenone
Peak:m/z	Relative Intensity
53.53740	0.6
53.64370	0.8
55.05503	2.8
57.07053	0.8
62.48559	0.7
67.05511	3.8
69.03426	2.4
69.07059	1.9
70.85863	1.4
70.86240	1.5
71.04960	0.7
76.28529	0.7
79.05469	2.6
81.07056	10.1
83.08609	1.5
85.06541	1.1
91.05471	7.9
93.07038	2.8
95.04970	1.2
95.08628	4.5
99.08092	1.8
105.07033	2.7
107.04940	1.7
107.08588	2.1
109.06493	1.7
109.10149	2.5
115.05466	0.8
117.07000	3.1
118.34782	0.6
119.08573	15.2
120.91897	0.7
121.06500	10.5
121.10142	2.1
123.08062	11.1
123.11677	1.0
128.06210	1.2
129.07010	2.5
131.04951	0.7
131.08556	2.8
132.05688	6.4
133.10118	2.2
135.08063	1.0
137.09627	1.2
141.06982	1.0
143.08551	1.5
145.06480	3.3
145.10117	2.3
146.07220	0.9
147.08040	100.0
148.08411	1.1
149.09602	1.9
154.12210	0.6
155.08566	2.7
156.09370	0.7
157.10149	1.3
158.07306	4.0
159.08055	11.0
159.11688	1.1
161.09601	8.2
163.11162	1.4
165.12753	0.9
167.08493	0.9
169.06444	0.8
169.10146	1.3
170.07207	1.0
171.08057	5.5
171.11664	0.7
172.08823	2.4
173.09625	17.5
175.07530	0.8
175.11189	1.7
179.08624	1.1
183.08104	2.4
183.11682	1.5
184.08815	2.6
185.09663	4.7
187.11165	11.5
189.12750	1.0
196.08783	1.9
197.09604	8.5
197.13248	1.0
198.10426	3.7
199.11177	6.1
200.11971	0.8
201.12743	5.9
203.14294	0.8
210.10426	1.6
211.11162	13.3
213.12715	14.6
215.10632	0.8
215.14342	1.7
221.13223	2.8
225.12711	5.0
227.14265	1.7
237.12732	1.1
238.13539	0.7
239.14288	13.3
241.15749	2.3
257.15378	20.2
263.17877	0.8
271.20734	1.7
281.18988	21.2
281.22055	1.2
299.20044	28.8
306.96014	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2004
Annotation	3-Methoxy-D-homoestra-1,3,5(10),8-tetraen-17abeta-ol
Peak:m/z	Relative Intensity
50.37173	1.0
51.90992	1.0
53.03938	1.4
55.05268	1.4
55.05511	19.7
56.96530	1.4
57.03426	1.7
57.07075	12.5
62.05573	1.4
65.03931	1.1
67.05499	29.2
69.03410	2.1
69.06718	2.1
69.07066	29.1
69.50127	1.1
69.55186	3.2
69.55591	7.1
71.04991	2.5
71.08606	5.5
79.05489	9.7
81.03419	2.0
81.07056	59.3
83.04986	2.0
83.08145	1.5
83.08620	24.2
85.06542	11.2
85.10173	3.3
91.05464	8.7
93.07052	10.5
95.04961	3.7
95.08604	50.8
97.02868	1.9
97.10168	18.2
98.97581	3.3
99.08080	2.3
105.07047	8.6
107.04956	2.8
107.08584	8.2
109.06483	2.6
109.10154	31.5
111.11713	9.1
113.09632	1.8
116.98614	3.7
117.07009	3.6
119.04876	1.5
119.08578	12.7
121.06483	3.2
121.10128	5.7
123.08042	2.1
123.11703	16.6
125.13255	3.9
128.06168	2.2
129.06979	3.8
131.08496	6.4
132.05717	1.8
133.10121	4.8
133.28027	1.1
134.99634	2.3
135.08034	2.9
135.11671	2.6
137.02321	4.4
137.05864	1.6
137.13245	6.5
139.11185	7.3
141.06979	2.1
142.07747	2.1
143.08545	4.9
145.06470	4.9
145.10143	7.6
147.08040	54.8
147.11696	3.6
149.09624	2.3
151.14809	3.9
153.01796	1.4
153.12755	2.9
155.07100	1.1
155.08537	5.8
156.09308	1.5
157.10091	5.0
158.07253	7.0
158.99532	1.5
159.08052	10.6
159.11729	3.0
161.05988	1.5
161.09616	19.5
161.13307	1.6
165.07004	2.3
165.16364	1.6
167.08510	2.4
168.09267	1.3
169.10133	5.5
170.07301	3.1
171.08037	6.1
171.11671	3.7
172.08823	1.5
173.08276	2.0
173.09616	19.8
175.11186	7.4
177.00667	3.0
179.08607	1.7
179.17960	1.4
180.09212	1.5
181.10124	2.1
182.07336	1.9
183.08067	4.1
183.11710	5.3
184.08823	9.8
185.09627	20.6
185.13252	2.9
187.11174	24.2
189.12724	2.3
193.10162	1.9
193.19511	1.2
195.08095	3.4
195.11586	2.0
196.08864	3.9
197.09613	22.2
197.13205	3.5
198.10420	5.1
199.11177	31.3
199.14893	2.0
200.11870	1.9
201.12740	3.5
207.11714	1.6
207.20979	1.8
209.09703	2.2
210.10489	5.8
211.11176	33.6
211.14680	1.9
212.11937	3.4
213.12657	10.4
215.10811	1.5
215.14369	1.7
217.19809	1.2
221.13228	1.4
223.11148	3.7
224.11978	3.3
225.12723	19.1
225.16289	1.3
227.14392	1.6
237.12804	3.0
238.13521	2.4
239.14322	25.9
240.14946	2.1
241.15886	21.0
251.14343	2.7
252.15175	1.7
253.15887	3.4
253.19556	3.0
263.27344	5.1
266.16681	4.2
267.10446	1.2
268.11282	1.4
269.18921	1.7
281.18976	55.7
281.28400	4.2
299.05975	2.6
299.11017	4.7
299.16815	3.4
299.20050	100.0
299.23172	3.3
300.20425	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2005
Annotation	3-Methoxy-D-homoestra-1,3,5(10),8-tetraen-17abeta-ol
Peak:m/z	Relative Intensity
55.05509	8.4
57.03423	2.5
57.07068	1.3
62.72181	1.0
62.82360	0.9
65.03947	0.9
67.05507	16.2
69.03412	1.5
69.07057	6.7
69.62639	7.5
79.05497	5.4
81.07046	8.9
83.08595	2.7
85.06527	1.3
91.05472	11.8
93.07037	9.1
95.04968	1.6
95.08601	54.6
97.06533	1.6
97.10159	6.2
98.21467	1.5
99.08086	1.8
105.07032	9.6
107.04961	2.4
107.08577	5.2
109.06497	1.1
109.10149	16.4
111.08054	1.3
113.09623	2.4
117.07022	4.7
119.08593	15.1
121.06493	2.9
121.10130	10.6
123.11734	1.8
125.09631	1.4
128.06219	2.5
129.06996	4.4
130.07771	1.4
131.08562	6.5
132.05670	3.3
133.06544	1.2
133.10141	7.8
135.08000	1.9
135.11667	1.7
137.09642	1.0
141.07010	3.9
142.07788	3.4
143.08571	5.6
144.05690	1.2
145.06459	5.5
145.10095	7.1
146.07310	1.5
147.08038	100.0
147.11691	5.2
149.09627	4.6
149.13261	1.7
152.06226	1.1
153.06996	2.3
154.07756	4.1
155.08530	7.1
156.09297	3.0
157.06496	1.2
157.10107	5.5
158.07271	11.7
159.08054	16.6
159.11664	2.6
160.08897	1.2
161.09610	13.6
165.07024	1.5
167.08533	3.1
168.09381	2.0
169.06497	1.8
169.10153	7.4
170.07280	3.5
171.08037	12.6
171.11722	3.4
172.08820	3.3
173.09616	62.2
175.11182	5.9
178.07816	2.1
179.08540	2.6
181.06523	3.1
181.10127	2.6
182.07237	2.6
182.10864	1.5
183.08084	3.4
183.11696	4.0
184.08832	8.3
185.09605	26.2
185.13208	2.1
187.11157	18.4
193.10152	3.0
195.08125	2.6
195.11697	1.9
196.08849	5.6
197.09612	69.8
197.13324	2.4
198.10262	3.0
199.11177	41.7
201.12749	4.5
207.11682	1.7
209.09546	2.8
209.13351	1.1
210.10374	3.7
211.11166	35.4
211.14609	1.7
212.11917	3.7
213.12691	5.1
215.14313	1.9
221.13211	1.9
223.11290	4.2
223.14943	1.1
224.11891	1.2
225.12732	18.1
226.13678	1.0
227.14359	5.7
237.12724	3.1
238.13448	4.9
239.14291	7.8
251.14252	1.6
252.15024	3.0
253.15881	28.1
266.16763	1.7
281.18991	69.2
299.05698	1.6
299.20056	49.0
299.23071	1.7
300.20279	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2005
Annotation	Totarolenone
Peak:m/z	Relative Intensity
52.67917	1.6
55.05495	7.0
56.96555	2.0
57.07066	3.2
66.40495	1.4
67.05493	6.1
69.03419	2.4
69.07055	5.7
69.29140	5.7
69.29570	12.5
71.04979	3.0
71.08638	1.9
72.08130	2.7
79.05490	3.5
79.07522	1.5
81.07040	16.4
83.04974	2.2
83.08614	5.1
85.06546	3.5
90.74707	1.4
91.05484	9.1
93.07028	5.9
95.04953	2.5
95.08607	8.5
97.10159	2.3
98.97555	1.4
99.08052	3.2
105.07021	4.4
107.04948	2.9
107.08595	3.5
109.06490	2.5
109.10159	7.1
111.08057	2.6
111.11629	1.8
117.07027	3.1
119.08566	18.6
121.06503	9.0
121.10115	2.6
123.08061	12.0
123.11765	2.4
129.06975	2.8
131.08563	5.4
132.05705	5.5
133.10138	3.0
135.03668	1.4
135.08037	2.1
139.11171	2.0
142.07794	2.1
143.08560	2.9
144.05737	2.0
145.06523	3.3
145.10101	2.7
147.08035	100.0
149.09573	2.6
151.07623	1.5
155.08583	2.7
157.10165	2.3
158.07344	2.1
159.08040	12.8
159.11612	1.6
161.09642	5.3
161.10922	1.6
161.26315	1.4
163.11194	2.4
167.08589	1.9
171.08043	5.4
171.11661	1.8
172.08813	2.2
173.09627	17.2
175.11101	2.8
183.08110	1.7
183.11639	2.7
184.08821	2.5
185.09601	4.1
185.13310	2.0
185.41634	1.6
187.11172	9.5
195.08078	2.1
195.11659	1.7
197.09595	7.2
197.13358	2.5
198.10361	4.7
199.11140	7.3
201.12656	4.8
210.10341	2.6
211.11163	13.9
213.12718	17.6
215.10649	1.5
215.14377	2.4
221.13205	1.7
225.12752	5.1
237.12579	1.6
239.14256	11.6
239.18048	1.8
241.15907	3.9
257.15363	21.3
271.20428	4.8
281.18979	26.1
299.05804	3.7
299.09122	3.0
299.16617	3.6
299.20023	26.3
299.23340	3.2
299.31067	2.0
300.12445	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2005
Annotation	 (-)-Sonderianol
Peak:m/z	Relative Intensity
50.13246	1.4
51.39886	1.5
55.05511	12.2
57.07064	4.6
62.35801	1.7
67.05486	6.6
67.44179	1.4
69.03448	1.8
69.07060	6.7
71.08600	1.6
79.05486	3.7
81.07065	10.4
83.04972	2.8
83.08618	13.6
91.05482	6.5
93.07037	4.3
94.42812	1.8
95.04968	1.5
95.08614	9.3
99.08093	2.8
105.07003	4.8
107.04955	2.5
107.08612	3.6
109.10147	6.1
111.08054	2.9
113.09676	2.0
116.98615	1.8
117.06976	3.4
119.08579	8.4
120.21091	1.4
121.06477	3.3
121.10138	6.6
123.08050	2.7
123.11636	1.8
129.06987	2.2
131.08525	5.6
132.05696	1.6
133.10081	3.3
135.08064	2.4
137.13148	1.8
139.11163	2.5
143.08548	5.0
145.06519	3.8
145.10133	4.6
147.08047	56.4
149.09628	3.0
149.13190	2.1
154.07761	2.0
155.08479	3.6
156.09332	2.4
157.10141	3.1
158.07234	6.9
159.08044	9.9
159.11771	3.9
161.09602	8.6
167.08543	2.6
168.09297	1.8
169.10150	3.7
170.07298	1.6
171.08115	4.0
172.08806	4.3
172.14682	1.5
173.09619	19.6
173.13261	2.3
181.06471	5.7
183.08095	2.1
183.11702	4.2
184.08859	8.1
185.09618	7.1
187.11186	29.4
195.07988	2.2
196.08879	10.9
197.09644	11.9
197.13181	2.0
198.10391	3.4
199.11186	24.6
201.12747	11.5
210.10484	2.6
211.11177	100.0
212.11864	2.1
213.12785	7.6
215.10637	1.6
215.14413	2.8
225.12808	12.7
227.14287	4.2
238.13496	1.6
239.14229	5.5
241.15804	2.7
252.14983	2.1
255.17375	2.1
257.15219	2.0
281.18982	36.2
299.05835	2.7
299.16599	2.7
299.20044	52.1
299.23083	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2003
Annotation	 (-)-Sonderianol
Peak:m/z	Relative Intensity
51.21996	1.9
55.01856	3.3
55.05509	20.9
55.88267	2.0
56.96541	9.5
57.03428	2.4
57.07055	9.1
59.04982	2.4
65.03944	2.5
67.05495	20.2
69.03413	6.1
69.07069	14.0
69.99693	11.3
71.04974	2.6
71.08626	4.8
76.40776	2.2
79.05488	12.2
81.03401	2.5
81.07055	25.1
83.04975	34.4
83.08617	13.0
85.06525	9.4
91.05473	18.5
93.07045	17.2
95.04954	6.6
95.08595	40.7
97.06522	5.7
97.10160	6.2
98.20798	2.2
98.97574	44.5
99.08076	5.2
105.07021	19.7
106.26216	2.2
107.08588	19.1
109.06493	10.5
109.10158	20.1
111.08101	3.2
115.05437	4.1
116.98605	37.5
117.07011	7.7
119.08548	23.9
120.26059	2.5
121.06479	7.9
121.10160	15.9
123.07993	3.7
123.11723	13.9
127.03859	2.3
128.06198	4.2
129.06995	8.4
130.07793	2.7
131.08569	11.3
132.05675	3.3
133.10124	15.4
134.99652	26.0
135.08038	20.1
135.11684	3.5
137.02299	2.7
137.05963	3.1
140.00165	5.2
141.07007	6.1
142.07748	5.4
143.08559	11.7
145.06465	10.2
145.10104	18.6
146.07281	2.5
146.99643	3.5
147.08035	100.0
147.11659	6.4
149.09645	23.4
153.00662	5.2
153.06985	5.4
153.09077	2.6
155.08562	11.2
156.09317	6.1
157.06461	2.8
157.10138	10.7
158.01224	4.5
158.07251	14.2
158.99615	21.5
159.08038	20.6
159.11690	6.6
161.04614	2.6
161.09598	19.4
163.07544	27.4
165.07016	4.9
167.08606	4.2
168.09300	2.7
169.06490	3.5
169.10107	6.7
170.07243	4.6
171.08052	13.5
171.11681	9.6
172.08775	6.3
173.09615	50.3
173.13211	3.5
175.11198	5.1
177.00697	43.8
179.08536	2.8
181.06421	5.4
181.10133	5.4
182.07294	3.1
183.08061	7.5
183.11688	11.8
184.08829	25.1
185.09589	23.5
185.13217	4.8
186.10416	3.4
187.11205	38.0
189.09100	3.1
189.12738	2.5
193.10075	2.8
195.01788	4.6
195.08092	4.7
195.11737	2.7
196.08853	4.6
197.09607	40.0
197.13213	8.7
198.10364	9.7
199.11176	70.4
199.14790	2.4
200.02248	7.7
201.12721	16.9
203.10690	3.5
207.11771	2.7
209.09695	2.4
210.10324	5.0
211.11174	48.5
211.14589	4.0
212.11882	6.1
213.12688	26.9
214.07118	2.4
215.10724	4.3
215.14339	3.0
217.12219	2.8
219.01761	9.9
221.13133	2.9
223.11232	5.5
224.11913	3.6
225.12750	27.4
225.16321	3.6
227.14366	4.9
229.12076	2.4
237.02946	4.2
237.12712	3.5
238.13411	3.1
239.14301	14.7
239.17973	3.5
241.15872	9.3
243.13666	2.3
251.14120	3.2
252.14981	3.2
253.15810	13.0
253.19514	4.5
255.17407	27.3
258.60330	2.9
267.10696	11.1
268.11453	4.8
271.20663	2.4
276.11145	25.7
276.61404	6.7
277.12076	11.0
278.61490	6.2
279.62076	5.5
281.15985	4.3
281.18994	64.7
285.07495	2.8
287.61938	16.5
288.12070	4.5
288.62787	4.1
299.05713	4.9
299.09277	3.9
299.12738	7.4
299.16409	5.4
299.20035	80.6
299.23557	7.2
300.12769	3.7
300.20123	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1334
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
53.03934	2.7
55.01863	1.8
55.05263	1.1
55.05508	13.2
56.96544	1.6
57.03431	16.3
57.07059	1.5
59.04995	7.5
59.58719	0.7
61.02924	8.8
62.06077	1.1
67.05489	2.4
69.03425	12.2
69.07086	0.7
70.06577	3.3
71.04987	16.5
71.60121	1.3
73.02900	2.9
73.06535	2.9
73.78712	0.7
79.05508	0.9
81.03414	5.2
81.07054	1.3
83.04977	26.9
83.06077	2.1
83.95561	0.7
84.04481	1.0
84.08134	2.6
85.02898	30.1
85.06555	3.7
86.03228	1.8
86.09699	2.0
86.65538	0.7
87.04486	1.6
91.03950	1.6
91.05816	1.0
93.04503	1.6
95.04966	1.1
95.06081	8.4
95.08567	1.8
97.02880	9.6
98.03222	1.0
98.97574	1.3
99.04452	3.5
101.06009	100.0
102.05672	0.7
102.06313	4.2
104.10757	1.5
107.08614	0.8
109.02863	4.0
109.03971	0.9
109.07622	1.4
109.10142	1.1
110.06023	1.0
110.07152	24.5
111.07454	1.2
112.08760	1.0
115.02441	1.1
115.03841	1.0
116.01112	0.7
116.07074	2.2
116.98585	0.9
118.06581	1.2
119.01913	5.0
119.07043	16.4
120.08105	3.6
121.06449	0.9
122.09722	0.9
127.03908	6.3
127.30230	0.7
128.04147	1.0
131.01889	1.9
133.03522	1.8
136.06180	3.5
136.07570	2.1
137.02893	0.8
137.04596	2.7
137.05721	0.9
137.06601	1.3
137.08092	19.6
138.05490	17.8
138.06512	1.1
138.09154	3.5
139.04024	0.8
143.01894	1.5
145.03444	3.1
145.04958	3.1
146.99655	0.9
147.05084	1.1
152.07094	1.1
152.08199	1.2
153.01846	0.9
155.01900	1.1
156.07719	1.3
156.10272	1.2
157.03453	2.0
159.05029	1.0
161.02965	2.5
161.05508	2.2
164.07001	1.1
166.07315	0.8
171.04973	1.4
173.01395	0.8
173.02946	3.2
175.04559	2.0
177.04201	0.7
177.06035	1.7
179.04428	0.8
183.05069	1.5
184.07338	1.8
185.03015	1.2
187.04480	1.6
189.06087	1.1
191.03952	1.0
191.08961	0.9
195.11310	0.9
196.04268	0.8
197.12920	3.1
201.06039	1.2
203.03908	1.6
210.12608	0.9
211.04608	1.2
211.12738	3.4
212.13921	27.7
213.12361	0.9
214.15474	1.1
221.04987	4.2
231.07172	1.4
237.02814	1.5
245.05089	1.6
252.02629	1.2
254.14995	5.8
255.13434	1.6
258.14487	7.6
259.06647	1.8
267.00031	1.4
281.12387	1.3
281.15201	1.5
282.14362	1.7
283.03128	2.2
299.06021	11.2
299.09738	1.7
299.13089	6.5
299.59116	1.1
300.10696	6.0
300.15533	36.4
301.06024	1.8
305.10928	1.4
321.10330	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	299.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34595	0.3
53.03923	0.3
55.05500	1.3
67.05505	0.6
69.03429	10.6
69.03803	0.6
69.72629	2.1
71.01353	1.3
71.04985	0.9
73.84107	0.3
79.01851	3.2
81.03409	0.6
81.07056	0.7
83.04979	4.2
85.02902	1.1
93.07021	0.3
95.08596	0.7
97.02886	1.0
105.07056	0.4
107.01297	1.2
107.08605	0.3
109.02872	1.3
111.04435	5.5
111.86890	0.3
119.08610	0.6
119.38570	0.3
123.04465	1.0
125.02341	3.8
127.03909	1.1
128.23000	0.3
129.05501	1.9
132.82767	0.3
133.10104	0.3
137.02298	0.8
137.05957	1.4
139.03793	0.4
141.07054	0.3
143.03394	6.3
151.03952	0.4
153.01825	100.0
154.02176	2.0
155.02280	1.0
161.06027	0.4
171.02928	0.9
175.07556	0.9
179.03441	0.6
179.10918	0.3
181.01378	0.6
181.06543	0.3
185.09712	0.5
189.05473	1.4
189.09009	0.4
201.05482	0.5
207.02934	1.6
211.07700	0.4
219.06497	0.9
223.02408	0.4
238.95885	0.4
239.07153	0.4
248.73299	0.3
253.12241	0.4
257.08090	0.4
263.05710	0.5
281.06564	1.7
299.08969	3.6
299.12814	2.3
299.20007	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0912
Annotation	Alfalone
Peak:m/z	Relative Intensity
51.83011	0.2
53.03936	0.8
55.01868	0.3
55.05495	0.3
56.96569	0.3
61.51018	0.2
67.01849	0.3
67.05505	0.4
71.60402	0.4
74.78606	0.2
76.13960	0.2
76.37527	0.2
77.65896	0.2
79.05494	1.1
80.77981	0.2
81.07039	0.5
83.04977	0.4
83.08604	0.3
85.06528	0.2
86.99290	0.2
91.05470	0.3
93.07059	0.3
95.04953	1.5
95.08588	0.3
105.07021	0.3
107.04948	100.0
108.05261	1.6
108.29958	0.2
109.02844	0.2
109.06499	0.3
109.10165	0.3
119.08538	0.3
121.02861	0.8
123.04431	0.2
125.06020	0.4
127.03912	0.3
131.08525	0.3
137.02333	0.5
137.05946	0.5
138.79482	0.2
141.01808	0.3
145.10135	0.2
147.04407	0.5
153.01830	1.6
183.02957	0.2
189.05368	0.2
192.04179	1.6
193.04955	33.3
194.05312	0.7
197.06042	0.3
235.04453	0.2
299.05673	3.7
299.09100	65.7
299.19891	1.1
300.06049	0.4
300.09344	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	299.076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.4
55.05496	0.8
58.52570	0.3
67.04497	0.3
67.05492	1.0
69.03410	0.9
69.07040	0.5
70.09077	1.0
70.09486	0.4
79.01861	3.1
79.05482	0.5
81.07043	1.3
83.04968	2.0
85.02882	0.7
86.89235	0.3
91.05468	0.7
93.07032	0.9
95.04956	0.5
95.08594	0.9
97.02893	0.9
105.07008	0.5
107.01311	0.8
107.04931	1.8
107.08601	0.7
109.02873	0.3
109.10143	0.5
111.04437	3.7
115.05482	0.5
117.06953	0.3
119.08605	0.4
121.10150	0.6
125.02342	3.3
129.04286	0.3
129.05446	0.6
131.08531	0.6
133.10158	0.4
137.02316	1.1
137.05975	0.6
143.03386	7.4
143.08527	0.3
145.06465	0.5
145.10179	0.6
147.04474	0.3
147.11679	0.3
153.01817	100.0
154.02167	2.1
155.02309	0.3
157.10081	0.5
159.11662	0.3
161.05962	0.6
163.03958	0.4
171.04376	0.4
171.11772	0.3
173.05913	0.6
173.13249	0.4
179.03394	1.2
181.01312	1.3
182.11018	0.3
189.05434	0.4
193.04906	0.4
195.02831	0.4
201.05409	0.9
207.02899	4.5
209.04459	0.5
218.05547	0.5
219.06543	2.9
221.04445	1.2
223.02316	0.7
235.05957	0.4
237.03862	0.7
239.10962	0.3
245.04457	0.6
263.05502	1.0
267.10052	0.5
276.48035	0.3
281.06546	5.0
281.18854	0.5
281.22516	0.5
299.01962	0.7
299.05606	0.3
299.09033	2.2
299.12708	1.0
299.16766	0.5
299.20084	2.1
299.23523	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74735	0.2
51.02370	0.4
55.01867	0.3
55.05494	1.1
57.07052	0.3
59.49958	0.2
67.05475	0.5
69.03415	0.8
69.64841	0.6
69.65250	1.5
71.04953	0.3
79.01853	3.9
79.05480	0.3
81.03404	0.5
81.07040	0.7
83.04976	2.6
85.02928	0.4
90.39525	0.3
91.05463	0.4
93.07024	0.7
95.08600	0.7
97.02878	1.0
99.04408	0.3
101.06019	0.2
105.07037	0.5
107.01318	0.8
107.04929	0.4
107.08569	0.6
109.10123	0.5
111.04441	1.1
119.04939	0.3
119.08601	0.6
125.02345	3.7
127.03929	0.4
133.10077	0.3
137.02315	1.2
137.05919	0.4
143.03389	7.8
145.10110	0.3
147.04480	0.3
153.01822	100.0
153.02802	3.9
154.02144	2.9
157.10086	0.3
161.05940	0.3
171.02881	0.5
171.11693	0.3
189.05460	0.3
243.60147	0.3
256.07352	0.3
299.09149	1.3
299.12943	0.6
299.20029	1.2
320.68311	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.4
53.03941	0.2
55.05494	1.0
67.05489	0.6
68.99776	0.4
69.03082	0.3
69.03425	4.5
69.07056	0.6
69.91236	1.0
71.01327	0.6
71.04983	0.4
73.74247	0.2
79.01845	4.1
81.03384	0.6
81.07032	1.0
83.04973	3.2
85.02892	0.7
85.06515	0.2
86.96200	0.2
91.05476	0.7
93.07026	0.5
95.04939	0.3
95.08584	1.0
97.02884	0.9
97.06508	0.3
105.07025	0.7
107.01313	1.1
107.04935	0.6
107.08554	0.5
107.69390	0.3
109.02866	0.9
109.10181	0.3
111.04430	2.4
111.11913	0.3
117.06946	0.3
119.08571	0.4
121.10140	0.6
123.04383	0.5
123.11658	0.5
125.02331	4.1
127.03885	0.8
129.05464	0.9
129.06993	0.5
131.08510	0.5
133.10115	0.5
135.08040	0.4
135.11736	0.3
137.01357	0.4
137.02336	3.4
137.03362	0.3
137.05957	0.8
139.34688	0.3
143.03381	7.9
145.10115	0.7
147.04434	0.4
151.03905	0.2
151.58475	0.2
153.01816	100.0
154.02153	2.3
157.10107	0.5
159.11784	0.3
161.09668	0.3
169.10136	0.4
171.02859	0.7
175.07584	0.3
175.76915	0.2
183.07892	0.2
183.11697	0.4
185.13206	0.4
189.09015	0.4
197.05904	0.3
213.12683	0.3
251.66615	0.3
257.08261	0.3
267.06549	0.4
281.19040	0.3
297.86829	0.3
299.08942	2.6
299.12747	0.5
299.16785	0.4
299.20029	1.8
299.23105	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
53.76606	1.3
55.01862	2.1
55.05508	4.7
56.96558	2.4
57.03434	85.6
59.04996	18.1
61.02923	10.3
67.58060	1.0
67.68499	1.0
69.03426	12.6
69.07046	1.5
70.06557	1.1
71.04981	3.8
71.39689	2.9
73.02907	3.1
73.06554	1.7
80.04998	1.3
81.03410	6.2
81.07031	1.7
83.04970	3.4
85.02900	35.6
85.06529	2.2
88.44270	1.2
91.03953	2.7
96.08109	1.4
97.02877	12.8
98.97581	5.3
99.04475	2.0
101.06017	22.0
109.02898	3.4
112.18289	1.1
116.98635	5.2
119.07047	100.0
124.03948	28.3
127.03914	10.0
128.98640	1.4
130.06561	1.2
134.99629	2.1
136.06183	10.1
136.07143	1.1
136.07622	1.7
136.09676	1.6
137.05969	2.4
139.03992	1.2
145.04939	10.4
146.05981	1.4
146.99686	1.8
147.04398	3.2
152.05717	1.7
153.01810	3.4
154.02185	1.3
158.99684	2.3
163.06020	2.5
166.07288	4.1
177.00739	2.2
200.04300	1.5
208.04904	1.7
217.05498	1.9
218.06352	1.4
219.01735	1.7
237.02831	2.0
239.11320	3.1
244.05879	1.6
247.06676	1.2
280.06943	1.8
289.07339	1.8
298.09259	6.9
298.12750	2.6
298.18674	1.3
299.06039	3.4
300.06097	2.5
306.73959	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1144
Annotation	Nelarabine
Peak:m/z	Relative Intensity
50.99398	0.2
51.05339	0.2
54.84346	0.2
55.01866	0.4
55.05500	1.4
56.96526	0.4
57.03434	0.6
57.04554	0.5
57.49105	0.3
57.70998	0.2
61.02905	0.5
69.03428	1.2
70.06586	0.4
70.74564	0.8
73.02925	0.4
73.06544	1.4
79.01848	0.2
80.04999	0.5
80.91216	0.3
81.03397	0.8
82.03726	0.3
83.04984	0.4
85.02901	2.1
91.05793	0.2
96.04478	0.4
96.50905	0.2
97.02900	1.3
98.97601	0.3
101.06019	3.7
109.02862	0.3
110.03497	0.9
113.81284	0.2
115.03902	0.3
116.98559	0.4
119.01862	0.3
119.07059	1.7
123.06664	0.4
124.03947	14.2
127.03896	0.5
128.04561	2.0
134.99585	0.4
135.03015	0.4
136.06183	1.3
136.09692	0.5
139.03896	0.4
141.65678	0.3
145.04980	0.6
149.04568	2.3
152.05679	6.1
153.01842	2.0
153.02896	0.4
153.04042	1.7
154.02135	1.7
166.07237	100.0
167.05647	18.9
167.06866	0.5
167.07175	0.5
167.07721	0.6
173.45836	0.2
193.10854	0.3
208.06752	0.3
235.07515	0.5
237.02766	0.3
239.11418	0.6
242.97473	0.2
266.99930	0.3
268.00104	0.4
283.02911	0.4
298.06320	0.3
298.09201	4.1
298.18243	0.3
299.06082	1.0
300.06207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1282
Annotation	5574-80-1
Peak:m/z	Relative Intensity
51.78742	0.8
55.01863	5.0
55.05485	0.9
55.56941	0.8
57.03420	4.0
57.07046	1.0
61.02919	6.5
62.42089	0.8
65.03910	1.2
67.05494	1.7
69.03429	7.4
71.04987	1.2
71.59444	1.6
72.08125	0.9
73.02890	2.1
76.04205	0.7
81.03416	6.0
82.03748	2.6
83.01305	0.8
83.04963	2.5
85.02894	27.9
87.04443	0.9
88.03991	0.9
91.03914	1.4
91.05459	2.1
92.05008	4.8
94.06564	17.5
95.04944	3.6
97.02885	9.3
99.04414	1.2
101.02360	1.2
103.03934	4.8
106.06561	3.5
109.02871	2.8
110.07152	1.0
111.04436	2.6
115.03913	1.3
115.05453	1.8
117.05766	4.7
118.06535	23.9
120.04454	53.9
123.04416	7.5
127.03909	6.2
130.06517	14.8
132.04442	3.1
132.08073	31.2
134.06046	1.7
136.06215	2.8
136.07568	35.0
137.02316	1.9
137.05989	1.0
139.03889	16.0
141.05484	1.4
142.06458	1.5
144.08073	2.8
145.04932	4.6
146.05995	78.1
147.06361	1.1
148.07558	7.7
151.03908	5.1
153.01814	8.9
154.02159	6.4
156.08051	1.5
158.06000	4.1
159.06763	2.9
160.07568	60.7
161.07997	1.3
163.05983	2.5
164.06996	2.0
169.04982	3.3
170.06052	0.9
170.09595	2.1
172.07568	16.9
174.09033	1.0
178.08607	4.0
183.06866	1.9
184.07515	7.5
185.08299	1.1
186.09180	1.9
188.06998	1.0
190.08588	2.7
196.07602	3.3
198.09079	7.3
200.07019	1.1
202.08572	8.4
214.08578	7.6
214.27415	1.0
220.09700	1.1
225.09689	1.6
226.08612	6.1
232.09665	2.9
238.10724	5.4
244.09654	7.9
256.11716	2.5
262.10715	7.7
280.08987	1.6
280.11786	19.2
298.06509	3.1
298.12836	100.0
299.05737	3.7
299.13031	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
54.15952	0.3
55.01874	0.7
55.05511	1.3
56.96555	1.5
57.03435	16.1
57.07068	0.3
57.32125	0.2
59.05001	3.7
60.04506	0.3
61.02928	2.5
69.03430	3.5
70.04062	0.3
70.06562	0.4
71.04990	0.9
71.58215	0.4
72.04538	0.3
73.02913	1.1
73.06552	0.7
77.94912	0.2
80.05006	2.6
81.03423	2.4
81.07028	0.3
83.04980	0.8
84.08148	0.5
85.02899	11.8
86.03278	0.3
87.04445	0.7
91.03944	0.6
91.05435	0.4
96.04481	2.7
96.08141	0.3
97.02888	3.7
98.97573	2.5
99.04453	1.0
101.06008	4.2
109.02871	1.8
110.03236	0.3
110.07192	0.4
111.04459	0.3
115.03915	0.4
116.98631	1.8
117.05480	0.3
119.04926	0.9
119.07050	16.7
120.04488	0.3
124.03948	100.0
125.04317	1.2
127.03908	2.9
128.02292	0.5
128.98566	0.5
134.99664	1.3
136.06175	4.7
136.07545	1.0
136.09598	0.4
137.05972	0.9
139.03905	0.4
140.00049	0.3
145.04962	2.5
146.06090	0.4
146.99644	0.5
147.04413	1.2
151.63983	0.3
152.05702	0.6
153.00690	0.4
153.01820	2.4
154.02142	1.3
155.30272	0.3
158.01236	0.6
158.99648	0.9
161.02928	0.3
164.07063	0.4
166.07254	1.4
173.02924	0.3
175.04306	0.3
177.00699	1.1
184.04839	0.4
191.03903	0.6
193.10895	0.7
199.04381	0.3
202.08508	0.3
208.04982	0.4
217.05441	1.2
219.01813	1.0
237.02824	2.4
239.11351	1.0
240.05785	0.5
256.06781	0.3
258.76083	0.3
268.00006	0.3
280.07242	0.4
284.02811	0.3
289.07513	1.0
297.58752	0.5
298.09164	24.1
298.18436	0.8
299.06082	1.1
299.09552	0.9
300.06125	1.2
302.05322	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0966
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
51.35266	0.2
55.01840	0.2
57.03437	0.2
58.59232	0.2
61.01150	4.0
67.11249	0.1
69.03423	0.6
70.01642	1.0
75.02372	0.2
75.02708	1.8
81.03405	0.5
82.03730	0.2
83.08582	0.2
85.02901	1.1
92.71999	0.2
94.04057	0.4
94.06551	0.4
95.04929	0.2
97.02896	1.8
101.09657	0.2
103.02193	0.3
109.02874	0.2
111.04414	0.2
117.05794	0.2
118.06529	0.8
119.03542	0.7
120.04459	1.9
120.08077	0.2
123.04408	0.4
127.03942	0.2
130.06523	0.5
132.08081	0.9
136.06177	100.0
137.04649	0.3
137.06628	1.0
139.03923	0.4
141.96252	0.2
144.08101	0.2
145.03215	1.5
146.05991	2.0
153.01797	0.7
154.02220	0.9
158.05943	0.2
160.07608	1.8
163.04247	1.4
172.07600	0.4
175.35199	0.2
184.07570	0.2
198.09070	0.2
202.08669	0.2
220.09731	0.3
226.08650	0.2
238.10794	0.2
252.58932	0.2
262.10767	0.3
275.30536	0.2
280.11725	0.9
298.06558	0.5
298.09686	5.0
298.12921	2.4
299.06006	0.3
299.09894	0.2
300.06021	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.9
55.05505	27.8
57.07069	11.7
64.16193	1.0
67.05496	36.4
69.03418	3.2
69.07059	53.0
71.04968	2.5
71.08619	6.4
71.61055	1.7
79.05488	10.3
81.03400	4.8
81.07048	100.0
83.08611	27.7
85.06535	5.6
85.10163	3.3
91.05457	4.6
93.07041	16.2
94.82705	1.1
95.04922	2.1
95.08596	78.3
97.02876	1.5
97.06503	3.2
97.10152	20.5
98.97546	1.5
99.08081	2.3
105.07008	4.1
107.04937	1.4
107.08589	15.9
109.02866	2.5
109.06492	2.0
109.10144	52.4
111.04425	1.2
111.08074	3.9
111.11714	11.3
116.98640	1.9
119.08572	2.0
121.06467	2.0
121.10123	12.1
123.11683	24.3
125.09601	3.1
125.13245	3.5
131.08525	2.8
133.06541	1.3
133.10072	3.3
134.99658	1.2
135.08054	1.6
135.11694	12.9
136.06177	1.4
137.09566	1.1
137.13264	10.8
139.51022	1.1
143.03368	1.7
143.08469	1.6
145.10141	1.2
147.11623	2.0
149.13243	11.5
151.14795	6.3
153.01813	13.8
153.02931	1.6
157.10092	2.3
159.11702	1.9
161.09558	1.9
163.14810	6.2
165.16389	3.5
169.10144	1.1
171.11678	2.0
173.13066	1.2
177.16368	3.1
179.17979	2.6
181.10182	1.7
184.08641	1.2
185.09665	1.2
187.11198	1.6
191.17921	2.4
195.11705	1.4
199.11061	1.9
201.12787	1.5
205.19499	2.9
211.11067	1.5
222.10066	1.2
223.80550	1.3
237.08926	1.6
245.72459	1.0
251.75740	1.0
255.13736	1.9
261.22034	1.6
261.25714	9.0
265.08490	1.9
266.12683	1.5
269.18878	1.8
276.72522	1.4
279.17291	3.7
279.23337	2.2
279.26746	5.3
297.06070	2.6
297.11102	2.6
297.18420	13.2
297.22003	2.9
297.27835	3.0
299.05991	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1847
Annotation	Crocetin dialdehyde
Peak:m/z	Relative Intensity
53.03912	0.8
55.05507	7.3
56.96561	4.7
57.03411	1.7
57.07064	3.0
59.04988	1.7
66.21696	0.8
66.95116	0.7
67.05502	10.2
68.43850	0.9
69.03402	2.7
69.07062	11.4
70.76714	2.5
71.04990	1.1
71.08625	1.1
71.23370	0.8
74.14004	0.9
77.89695	0.7
79.05488	5.4
81.03419	6.1
81.07049	18.9
83.04970	4.4
83.08611	6.7
85.02883	3.8
85.06525	3.2
91.05455	8.0
93.07043	6.9
95.04945	3.3
95.08600	23.0
97.06510	2.4
97.10159	2.7
98.97570	2.0
99.08073	1.8
105.07027	6.2
107.04955	1.5
107.08576	6.8
109.06501	1.2
109.10151	8.7
111.08070	12.2
111.11715	2.0
113.09645	2.9
116.98603	1.3
117.07019	1.5
119.08591	4.5
121.06498	1.4
121.10110	4.7
123.08067	2.0
123.11710	4.5
125.09597	1.7
128.06194	1.4
129.06978	2.8
131.08537	4.4
133.10121	5.3
134.99629	2.2
135.08067	1.6
135.11690	2.6
136.61549	0.9
137.09598	1.5
141.07031	1.0
142.07712	1.5
143.08548	2.8
145.06465	1.8
145.10109	2.7
147.08032	8.7
147.11644	2.1
149.01227	1.2
149.09584	1.9
149.13245	1.7
151.11183	1.0
151.14856	1.0
153.01804	6.1
153.07021	1.0
155.08543	2.0
157.10092	4.9
158.07242	3.8
159.08040	19.7
159.11679	2.2
160.08791	1.4
161.09586	13.8
163.14810	1.2
165.06996	2.1
167.08542	2.6
169.06450	1.0
169.10083	2.2
170.07266	5.1
171.08011	7.4
171.11649	2.1
173.09619	13.7
174.10278	1.1
175.11188	5.2
179.08521	1.1
180.09236	1.0
181.06523	1.1
181.10162	1.6
182.07260	1.0
183.08031	3.8
183.11690	1.5
184.08794	9.5
185.09601	31.4
185.11261	1.5
187.11182	3.1
192.09158	1.0
193.10231	1.3
193.12219	4.1
195.08017	5.3
195.11671	1.8
196.08792	2.8
196.12483	1.1
197.09608	21.8
197.13309	1.1
198.10414	4.9
199.11166	44.0
200.11639	1.3
201.12819	2.3
205.10130	1.8
208.08821	2.0
209.09697	4.1
209.13264	2.3
210.10358	1.4
211.11189	30.8
211.13245	4.4
213.12711	10.9
219.11624	1.6
221.09564	3.5
222.10445	3.0
223.11169	15.1
223.13087	0.9
223.14842	1.6
224.11923	1.7
225.12723	3.3
227.10725	1.0
227.14374	1.4
235.11142	3.3
236.11900	4.2
237.12721	9.0
239.14207	5.4
241.12244	1.1
241.15987	1.2
249.12779	1.2
250.13475	3.1
251.14302	2.3
251.18121	1.5
253.15894	4.4
254.13048	2.1
255.13715	4.9
255.17558	1.8
261.25830	1.3
264.15152	1.4
266.12601	1.4
267.08966	6.3
269.19034	3.2
274.97507	1.4
279.17407	28.5
279.26538	1.0
280.17667	1.5
285.10071	18.8
285.16882	1.9
286.10443	3.2
291.03680	1.2
292.98615	0.9
297.11319	2.7
297.18488	100.0
298.18808	2.7
299.06152	1.7
308.11740	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1849
Annotation	Crocetin dialdehyde
Peak:m/z	Relative Intensity
51.02367	1.1
53.03932	3.3
55.01867	1.6
55.05505	5.1
56.96563	1.0
57.03426	2.3
57.07071	1.7
59.04990	3.1
59.34588	0.9
65.03922	1.2
67.05499	16.8
68.45230	0.9
69.03426	10.0
69.07064	5.4
69.44942	1.1
69.59161	1.0
70.24820	3.2
70.25205	2.0
71.04979	1.0
79.01857	2.0
79.05483	8.6
81.03416	14.4
81.07053	11.3
81.30373	1.0
83.04985	4.9
83.08602	2.5
85.13733	1.1
91.04948	1.8
91.05472	15.4
91.82679	1.2
93.07038	14.4
95.04968	3.7
95.08607	9.0
96.84613	1.0
97.02896	4.6
97.06512	2.1
97.10163	2.3
99.04474	1.5
105.07031	24.9
107.04951	2.8
107.08592	12.6
109.02857	5.1
109.06520	8.3
109.10159	14.1
111.08104	2.0
115.05463	2.0
116.06255	1.3
117.07029	5.5
119.08580	18.5
121.06483	3.2
121.10136	12.1
123.04469	2.0
123.08080	4.0
123.11677	1.7
125.02371	2.4
127.03907	2.4
128.06226	4.6
129.07028	5.5
130.07764	1.1
130.21930	1.1
131.08560	16.3
133.09114	1.7
133.10127	29.1
134.10880	1.8
135.08066	9.8
135.11652	5.9
137.08524	1.4
137.09607	28.6
139.11166	1.3
141.06982	1.8
142.07755	4.5
143.03415	4.6
143.08559	20.1
145.06461	5.8
145.10115	11.4
147.08040	9.2
147.11673	4.0
149.09592	4.2
153.01823	48.6
153.02791	1.9
154.02209	1.4
154.07764	1.1
155.08545	4.8
156.09367	3.2
157.10120	8.7
159.08046	14.9
159.11699	4.3
160.08803	1.5
161.09618	32.2
163.07553	5.5
163.11179	2.1
165.07002	3.9
166.07806	1.6
167.08569	5.0
168.09337	1.9
169.10155	5.4
170.10847	2.4
171.02892	2.5
171.08029	3.6
171.11705	6.6
172.08804	4.1
173.09671	7.4
173.13245	3.7
175.11211	3.5
177.09196	1.3
179.08513	6.2
180.09361	3.2
181.10103	6.8
182.10826	2.2
183.08051	1.6
183.11708	8.2
185.09692	7.2
185.13254	4.6
186.10413	2.8
187.07492	1.1
187.11177	3.7
189.12740	3.5
189.67908	1.1
191.08723	1.4
191.10634	1.2
192.09305	1.5
193.10146	5.1
194.10918	2.9
195.08115	1.4
195.11655	7.2
196.08736	1.4
197.09602	2.3
197.13309	2.7
198.10271	1.3
199.11273	5.5
199.14838	1.6
201.12730	15.2
203.14314	1.7
207.11700	4.0
208.08870	2.2
208.12489	2.7
209.09596	4.7
209.13242	11.9
211.11191	3.6
211.14825	2.7
212.12027	1.2
213.12758	3.2
219.11716	2.1
221.09700	2.1
221.13240	4.3
222.10416	2.9
222.14046	2.4
223.11249	5.6
223.14830	3.9
224.11894	2.2
225.12753	3.7
227.14307	5.8
228.14992	3.0
231.11552	2.2
235.11134	2.1
235.14850	1.3
236.12102	1.5
236.15460	1.1
237.12704	7.7
237.16479	1.7
239.14313	6.5
241.12216	2.6
241.15959	2.6
243.13982	1.4
246.13983	2.0
249.12732	2.6
250.13570	1.1
251.17972	9.5
253.15869	2.8
255.13750	3.8
255.17529	1.6
261.16422	1.4
264.15164	3.5
269.19000	7.7
279.17444	37.7
280.17899	1.4
297.05869	8.2
297.18500	100.0
298.06726	1.2
298.18665	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	297.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10807	0.2
51.02372	0.7
53.03938	4.0
55.01859	0.4
55.05503	0.5
59.25220	0.3
67.05492	0.7
69.03426	2.3
69.07057	0.6
71.04971	0.9
71.35172	0.5
73.03677	0.2
79.01853	5.0
79.05495	0.5
81.03411	11.5
81.07038	0.9
83.04981	0.3
83.08597	0.3
83.96788	0.3
85.02891	0.5
85.06531	0.3
93.07027	0.5
95.08591	0.7
96.62135	0.2
97.02884	7.7
98.97595	0.4
99.04432	2.6
104.57211	0.3
105.82235	0.2
107.01308	1.8
107.04948	0.5
107.08591	0.6
109.02876	7.3
109.10154	2.7
121.10142	0.6
123.11720	0.4
125.02332	4.8
127.03915	4.5
132.38112	0.3
143.03384	9.2
147.04425	0.4
153.01817	100.0
154.02148	1.1
167.82434	0.2
171.02876	3.3
200.59695	0.3
203.03510	0.3
219.06691	0.3
233.04466	0.3
247.01537	0.2
261.14963	0.7
297.05975	6.8
297.11435	0.5
297.18420	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02420	0.8
53.03946	3.0
55.01905	0.6
55.05545	0.8
57.07110	0.5
67.05509	1.3
69.03429	4.1
69.07069	1.6
69.79714	1.4
71.05026	0.9
71.08657	0.4
79.01851	4.0
79.05526	0.6
81.03413	17.9
81.07051	2.7
83.05018	0.3
83.08655	1.0
85.02924	0.5
85.06548	0.3
87.00919	0.2
91.05528	0.9
93.07055	1.5
95.05019	0.6
95.08606	2.4
97.02885	6.8
97.06564	0.4
97.10182	0.5
98.20879	0.4
99.04448	2.0
105.07074	1.0
107.01306	1.8
107.08624	0.9
109.02874	8.7
109.06586	0.3
109.10178	1.6
111.11744	0.4
117.07004	0.3
119.08595	0.5
121.02840	0.3
121.10149	0.9
123.08064	0.2
123.11723	0.7
125.02345	5.0
127.03913	5.1
127.04790	0.4
131.04930	0.3
131.08543	0.4
133.10121	0.6
135.04335	0.3
135.11711	0.3
137.09625	0.3
137.13272	0.3
139.03873	0.3
143.03392	7.1
143.08565	0.5
145.06538	0.3
145.10201	0.3
147.04411	0.5
147.11694	0.6
149.09622	0.3
149.13260	0.5
153.01820	100.0
154.02148	1.5
155.08606	0.3
157.10101	0.5
159.04364	0.3
159.08057	0.4
165.06926	0.2
171.02872	4.1
171.11711	0.2
173.13258	0.4
175.03922	0.3
179.08504	0.2
181.01248	0.4
183.11720	0.4
193.10031	0.2
194.07179	0.2
199.11110	0.3
201.12700	0.3
203.03351	0.4
205.04849	0.3
207.02745	0.4
225.12669	0.3
233.04401	0.4
261.25516	0.3
265.08456	0.5
266.12558	0.3
276.88785	0.2
279.17169	0.7
297.05853	11.7
297.11060	1.2
297.18649	3.2
297.27585	0.5
299.06033	0.3
306.25531	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1846
Annotation	Crocetin dialdehyde
Peak:m/z	Relative Intensity
51.64877	0.4
55.01847	0.6
55.05510	2.6
56.08512	0.4
57.07066	1.1
59.04979	0.8
67.05495	3.0
69.07058	3.3
70.98884	1.1
70.99240	0.4
77.84219	0.5
79.05470	1.1
81.07036	2.1
83.04982	1.3
83.08604	1.5
84.10099	0.5
85.06527	1.6
86.87421	0.5
89.61845	0.6
90.74253	0.5
91.05471	2.3
93.07040	2.6
95.04946	0.6
95.08600	8.4
97.06515	0.5
99.08089	1.0
103.74638	0.5
105.07003	1.3
107.08585	1.2
109.10143	1.1
111.08078	12.7
113.09637	3.0
114.80936	0.5
115.05387	0.6
116.98609	1.1
117.07019	0.5
119.08595	2.5
121.06525	0.6
121.10141	1.4
123.08045	1.2
125.09615	1.3
126.13237	0.5
128.06219	0.6
129.06993	1.5
131.08554	1.1
133.10175	2.7
134.99678	0.6
135.08078	0.9
141.06970	1.1
143.08546	1.5
145.06453	1.6
145.10114	2.1
146.07283	0.9
147.08035	8.9
149.09593	0.8
151.11147	1.0
153.06970	0.7
155.08560	1.3
157.10106	1.9
158.07254	3.1
159.08037	18.2
160.08751	1.3
161.09599	12.2
165.06985	1.8
166.07733	0.6
167.08527	1.9
169.06505	1.7
169.10092	0.8
170.07233	4.6
171.05157	0.5
171.08063	6.2
171.11655	1.1
173.09604	12.5
174.10341	1.4
175.07585	0.6
175.11211	3.8
176.48889	0.6
178.07718	0.9
179.08505	1.3
181.00829	0.5
181.06445	1.6
181.10072	0.7
182.07190	1.4
183.08049	3.1
183.11574	0.5
184.08829	9.8
185.09602	31.1
186.10179	1.4
187.11182	3.2
193.10123	1.6
195.08034	5.4
195.11720	1.1
196.08852	2.6
197.09598	21.9
198.10332	3.0
199.11168	43.6
200.11578	1.7
205.10060	1.1
207.08058	1.1
208.08795	2.4
209.09618	3.6
210.10434	1.7
211.11159	30.0
212.11646	1.5
213.12733	9.2
219.11548	0.9
221.09587	1.8
222.10439	2.4
223.11171	14.5
223.14598	0.7
224.11826	1.2
225.12750	3.4
227.14206	1.1
235.11151	3.1
236.11931	3.9
237.12737	8.4
238.13144	0.6
239.14328	5.3
241.12160	2.4
249.12637	1.2
250.13481	2.1
251.10182	0.9
251.14220	1.6
252.61592	0.5
253.15782	3.8
254.12999	1.7
255.13777	5.4
255.17455	1.3
261.16309	0.9
264.15091	1.0
266.12469	0.7
269.18973	3.5
274.97470	1.5
279.17416	24.5
280.17963	0.7
292.98688	0.6
297.18469	100.0
298.18829	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	296.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79106	1.0
51.02381	1.2
53.03943	8.4
55.01858	1.5
55.05508	10.0
56.96577	1.4
57.03432	15.7
61.02933	2.2
67.05470	1.2
69.03427	13.1
69.07076	4.9
69.52309	8.9
70.04055	1.8
71.04988	17.6
75.04470	3.7
79.01829	5.6
79.05486	4.9
81.02918	1.1
81.03416	39.2
81.07053	52.6
82.07370	1.2
85.02903	12.3
93.07027	1.1
97.02885	12.5
98.21564	1.7
99.04455	3.3
99.08088	59.3
103.03995	1.2
107.01302	2.9
107.04957	2.8
107.08553	1.7
109.02873	19.1
116.98619	2.1
117.09122	19.2
120.08115	3.9
121.08386	1.9
125.02341	5.2
127.03914	9.1
127.18805	1.0
131.04930	1.1
134.99634	1.2
136.07590	1.9
137.05988	3.4
143.03384	9.5
145.04938	1.7
147.04326	1.2
153.01820	100.0
165.06998	1.1
171.02888	4.1
177.00667	1.1
205.05017	1.2
207.08035	1.5
231.98874	1.2
234.10327	3.6
235.07558	3.8
250.09921	3.4
265.08752	1.4
265.12241	8.5
266.99887	1.7
283.03159	1.3
296.05908	1.0
296.16293	6.2
297.06027	22.8
299.06091	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	297.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.8
53.03941	4.8
54.02333	0.3
57.03429	0.4
63.31991	0.3
67.05481	0.5
69.03424	6.7
69.03766	0.6
71.05011	1.4
71.60013	0.8
79.01852	4.1
79.05483	0.5
81.03412	31.5
85.02897	0.6
91.05499	0.8
93.07070	0.7
95.04993	0.4
95.08605	0.5
97.02898	6.3
98.21165	0.4
99.04457	2.5
102.79797	0.4
105.07059	0.4
107.01303	2.0
107.04974	0.5
107.08565	0.5
109.02875	13.6
119.08581	0.6
121.06512	0.4
121.10226	0.4
125.02350	4.7
127.03918	5.4
131.04877	0.5
131.08592	0.5
135.04378	0.7
143.03395	8.4
147.04398	0.9
153.01820	100.0
154.02141	1.2
159.08040	0.7
163.03902	0.7
165.01860	0.4
167.07048	0.9
171.02881	4.9
177.01814	1.8
181.01254	0.8
195.02759	0.7
195.06520	1.4
205.04886	0.7
207.02831	0.4
223.05991	1.1
233.04356	0.5
237.03777	0.4
237.12692	0.5
255.13722	1.5
261.03894	0.4
266.12476	0.5
297.05988	23.6
297.18329	0.8
298.06375	0.6
299.05975	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.7
53.03944	4.6
54.11221	0.2
54.56247	0.3
55.01879	0.4
55.05521	0.3
57.03439	0.4
68.99790	0.3
69.03426	7.7
69.07072	0.3
71.04989	1.1
71.12233	0.4
71.12593	0.5
79.01847	4.5
79.05503	0.4
81.03412	38.7
81.07038	0.4
82.03766	0.3
85.02898	0.8
85.63259	0.2
87.38134	0.3
91.05471	0.5
93.07032	0.5
95.08617	0.5
97.02887	5.9
99.04450	2.6
105.07037	0.4
107.01314	1.9
107.04961	0.8
107.08588	0.8
109.02875	15.9
109.10171	0.3
119.08556	0.5
123.04395	0.4
125.02342	4.7
127.03912	6.6
131.04956	0.3
131.08554	0.2
133.06387	0.3
143.03387	8.3
143.08548	0.3
145.10130	0.4
147.04388	0.7
153.01819	100.0
153.02820	3.6
154.02174	1.0
159.04439	0.6
163.03836	0.3
170.02112	0.4
171.02875	4.5
177.05516	0.3
179.03326	0.4
181.01343	0.7
183.11650	0.4
193.04947	0.5
195.02826	0.3
203.03218	0.3
207.02930	0.6
211.02429	0.3
233.04294	0.3
237.03891	0.4
261.03842	0.3
261.14874	0.3
266.12424	0.5
279.23096	0.3
297.05972	27.7
297.18149	0.9
297.33545	0.3
298.06485	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03929	2.7
55.01858	2.9
55.05300	1.3
55.05510	14.8
57.03424	3.0
57.07056	4.1
67.05496	28.4
69.03421	4.0
69.07064	14.3
71.04973	3.3
71.08621	16.4
74.27620	1.2
74.83244	1.2
79.05481	14.1
81.03416	11.3
81.07050	21.2
83.04975	7.8
83.08606	3.5
85.06505	3.5
86.09701	2.8
91.05476	9.7
93.07028	21.8
95.04958	12.6
95.08599	17.8
97.06500	3.6
97.10155	3.7
99.08080	10.7
105.06997	6.9
105.44446	1.3
107.08592	10.3
109.06501	3.7
109.10142	11.1
111.11761	1.4
117.07001	1.8
119.08561	7.5
121.10139	9.3
121.64543	1.3
123.08077	3.4
123.11736	1.8
125.00002	1.6
125.09614	1.7
129.07001	1.6
133.10118	6.4
135.11684	5.3
137.09579	7.2
139.11188	3.9
145.10078	2.0
147.11678	2.6
149.13242	4.3
151.11174	15.2
157.10165	1.7
161.13188	2.4
163.11183	2.9
165.12738	2.6
171.11781	1.7
179.14311	6.1
184.07344	6.4
195.38257	1.3
197.97218	1.3
208.48933	1.6
219.96179	1.4
221.15379	4.1
234.10356	1.5
235.07504	1.4
250.09856	1.8
265.12283	5.4
277.18463	2.6
277.21591	56.2
295.22693	100.0
296.16476	2.9
296.22769	1.6
315.93094	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03941	12.7
55.01867	4.2
55.05501	23.5
57.07064	7.9
67.05502	50.2
69.03421	4.5
69.07065	37.8
71.08626	4.3
71.33662	5.4
75.80760	2.8
79.05483	32.1
81.03413	54.1
81.07047	46.8
83.04963	16.1
83.08606	9.5
85.02900	3.6
85.06557	3.0
85.10172	5.1
88.27125	2.5
91.05465	22.0
93.07043	34.7
95.04961	40.3
95.08601	20.2
97.06541	3.8
97.10124	5.6
97.38157	2.3
98.18430	2.8
99.08067	3.8
105.07023	18.4
107.08563	24.5
109.06514	10.2
109.10162	16.6
119.08577	14.8
121.10142	8.7
123.11703	7.9
125.09635	7.5
129.07016	3.8
131.08566	3.4
133.10123	14.9
135.08037	4.0
135.11694	10.1
143.08575	3.5
143.95612	2.6
145.10101	4.3
147.11688	11.1
149.13235	6.5
151.11166	44.2
153.09108	3.1
161.13243	13.3
163.14818	7.2
165.12759	9.7
171.11688	6.1
175.14810	5.0
177.16582	2.6
179.14189	4.4
185.13286	3.7
189.12759	2.7
207.13823	4.0
217.19365	3.6
221.15288	3.4
231.21028	12.6
241.19485	6.2
249.22150	3.2
250.10089	3.9
259.20544	12.2
265.12204	9.7
277.21619	100.0
295.05942	3.2
295.23163	4.7
296.16632	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03932	3.0
55.01855	6.7
55.05510	40.2
57.03418	3.2
57.07053	7.5
64.37463	2.7
65.03947	3.4
67.05502	100.0
69.03425	6.5
69.06773	2.7
69.07069	29.2
71.04987	6.0
71.08626	35.7
74.58027	2.4
79.05488	54.3
81.03398	6.0
81.07052	77.3
83.04995	11.6
83.08614	31.9
85.02892	3.4
85.06522	8.0
89.01960	2.2
91.05477	25.2
93.06468	4.4
93.07042	72.9
95.04973	11.5
95.08601	50.7
97.06519	13.0
97.10157	33.2
98.20714	5.4
99.08086	27.0
105.07014	22.3
107.04976	3.1
107.08585	53.2
108.05777	2.7
109.06516	5.0
109.10151	69.6
111.08053	3.1
111.11707	3.2
113.09620	3.8
117.07037	7.9
119.08572	15.7
121.10142	37.0
123.08006	3.3
123.11685	11.6
125.09615	28.2
131.08566	8.0
133.10101	15.9
135.08041	4.4
135.11673	37.3
137.09601	3.8
137.13242	3.6
139.11174	2.8
141.09088	3.7
143.08546	3.9
145.10175	6.8
147.11670	7.6
149.13280	19.3
151.11160	12.9
153.09132	2.4
153.12706	2.5
157.10095	4.3
159.11668	6.6
161.13297	12.3
163.11151	4.6
163.14813	3.6
167.10658	3.6
167.14224	3.2
171.11642	5.0
173.11731	5.1
173.13197	5.0
175.14819	5.9
177.12785	4.1
179.14313	62.4
185.13257	4.6
189.11177	20.4
195.13757	3.6
199.14821	3.6
213.16484	3.2
221.15361	4.9
229.28265	3.7
233.22723	2.7
235.07500	5.6
235.16908	5.2
241.19551	3.7
249.51070	2.5
250.09792	3.8
259.20624	16.2
261.22220	2.9
265.12247	9.6
277.21625	81.7
279.23233	4.0
295.06036	4.0
295.22754	9.6
296.16620	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	295.2266
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
52.99328	6.8
55.01857	7.5
55.05492	24.7
55.18097	5.8
55.95691	7.4
56.96527	6.7
57.03429	32.0
57.07063	13.3
57.10201	7.4
67.05492	60.3
69.03403	7.1
69.07051	29.0
69.24559	7.4
70.25462	18.1
70.25861	14.4
73.02889	8.9
79.05489	39.3
81.03386	8.1
81.07054	100.0
83.04971	6.8
83.08615	16.3
85.02884	11.6
85.06572	6.4
91.05462	30.9
93.07030	43.7
95.04963	16.6
95.08594	78.9
97.02820	7.1
97.06516	11.0
97.10155	8.8
99.08012	10.1
105.07022	30.7
107.08569	32.6
108.59769	6.9
109.06557	7.2
109.10159	36.2
111.08040	12.8
113.09678	9.1
115.98691	7.0
119.08595	25.4
121.10081	33.3
123.08026	8.5
123.11676	12.6
128.65062	6.4
131.08533	14.4
133.10103	26.0
135.11668	25.2
145.10077	12.5
147.11725	12.6
149.09592	12.1
149.13261	17.4
151.11218	12.8
154.18423	6.8
159.11713	14.5
161.13257	9.9
161.38770	6.1
165.12688	8.4
169.94730	7.1
171.11719	10.0
172.37639	6.3
173.13290	8.6
187.14824	19.3
205.16042	7.6
219.08353	6.9
232.17990	7.9
234.10455	9.8
235.07587	14.3
241.19482	10.3
250.09846	12.5
259.20520	15.0
265.12213	26.1
277.21640	82.9
295.05994	8.1
295.22659	38.0
296.16153	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	295.2268
Annotation	Colneleate
Peak:m/z	Relative Intensity
53.03934	4.2
55.01866	2.7
55.05507	13.3
56.96574	1.5
57.03426	3.3
57.07055	5.1
66.69022	1.6
67.05499	28.2
69.03425	3.9
69.06181	1.6
69.07074	13.6
69.45182	7.6
69.45605	6.8
69.50398	1.4
70.04040	2.3
71.04990	3.3
71.08633	18.3
79.05484	17.9
81.03419	12.3
81.07056	21.8
83.05009	7.6
83.08599	5.7
85.06548	2.7
86.09693	4.0
91.05482	9.7
92.31826	1.5
93.07043	24.0
93.60275	1.7
95.04965	14.4
95.08592	20.4
97.06532	7.1
97.10145	6.1
99.08086	10.1
104.18159	1.6
105.07025	8.6
107.08590	13.2
109.06512	4.4
109.10137	12.0
117.06940	2.7
119.08575	7.6
121.10136	8.3
123.08046	4.4
123.11665	2.7
125.00013	2.2
127.11169	2.3
131.08563	3.0
133.10091	5.6
135.08029	2.4
135.11697	5.5
137.09642	7.3
138.69077	1.6
139.11162	1.9
145.10112	2.2
147.11676	4.7
149.13278	3.7
151.11195	12.5
153.12747	2.8
155.57275	1.4
157.10159	2.3
159.11664	4.2
161.13269	4.6
163.11188	2.8
172.83440	1.5
179.14304	6.0
184.07314	7.9
185.07645	2.2
185.13264	2.8
203.12834	1.9
221.15445	3.7
235.16951	1.8
243.47229	1.7
250.09888	2.5
265.12222	5.9
277.19348	1.1
277.21619	57.4
295.22693	100.0
296.16174	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
52.20695	2.2
53.03946	2.3
53.32887	2.2
55.01871	40.4
55.05507	25.2
56.96568	2.2
57.03422	3.2
57.07074	10.9
57.07318	2.3
67.05498	34.1
69.07066	19.3
69.90313	14.8
71.08627	14.9
71.63773	2.2
79.05489	22.7
81.03397	7.3
81.07055	39.9
83.04973	15.6
83.08613	23.6
85.06556	4.4
85.10165	8.9
86.82150	1.9
87.55608	2.1
91.05468	25.5
92.92400	2.1
93.07039	30.8
93.65208	2.2
94.74789	2.2
95.04971	10.6
95.08604	31.5
95.30382	2.3
97.02898	2.0
97.06523	16.2
97.10155	4.8
98.05018	2.6
98.21391	3.5
99.08093	13.9
99.60346	2.7
104.51245	2.5
105.07024	24.1
107.04964	3.0
107.08595	17.7
109.00463	2.5
109.06511	6.5
109.09549	2.1
109.10128	12.7
110.21154	2.0
111.08071	49.4
113.09650	13.4
115.54575	2.5
115.75907	2.3
117.07004	2.8
119.08602	15.2
121.10136	13.8
123.08024	5.2
123.11697	9.0
123.12566	3.0
125.09621	2.5
127.47199	2.4
129.06926	3.1
131.08592	7.6
133.10133	17.8
135.08052	3.0
135.11668	12.0
136.48557	3.0
137.09593	4.0
137.13341	2.7
139.11197	5.0
145.10130	7.2
147.11716	14.2
149.09596	7.3
149.13260	6.8
151.11166	12.7
157.10139	5.4
159.11726	5.8
161.13246	7.0
163.11188	3.3
163.14771	3.1
165.12735	24.8
169.65097	2.2
171.11647	3.5
175.11154	3.9
179.14278	10.8
179.54291	2.3
185.13248	3.6
193.12129	2.4
199.14793	3.0
211.28812	2.3
221.11784	2.4
231.21082	6.3
235.16913	3.4
241.19606	2.9
242.24886	2.6
249.16386	2.3
249.22090	7.9
250.09872	3.9
259.20602	9.9
265.12265	9.6
270.10953	2.5
272.15430	3.8
272.63187	2.3
277.21597	100.0
295.05911	3.8
295.17352	4.3
295.22620	56.5
296.16458	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	294.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12539	0.2
52.99440	0.2
54.14624	0.2
57.07070	1.3
57.43212	0.2
59.71254	0.2
61.23110	0.2
66.04699	0.3
67.05482	0.2
69.07042	0.2
71.08633	1.2
79.05494	0.5
81.07040	0.8
88.07622	0.2
91.05467	0.3
94.04180	1.7
95.04933	0.3
96.08976	0.2
107.04851	0.2
109.06486	0.2
122.03641	6.3
123.11729	0.4
124.68095	0.2
137.05966	100.0
138.06281	1.4
141.12732	2.4
158.14272	0.3
158.15379	1.5
170.15417	0.5
233.50327	0.2
261.14215	0.2
294.20703	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
54.05389	0.3
55.01874	1.9
55.05500	0.6
57.03436	5.3
59.05004	0.3
60.77044	0.3
61.02924	10.6
62.73782	0.4
67.05512	0.6
69.03426	18.3
69.07063	11.6
70.79396	0.8
70.79723	0.3
71.01340	0.5
71.04982	2.0
73.02911	4.3
73.06553	0.6
81.03416	7.3
81.07030	0.5
81.64534	0.3
83.01334	0.8
85.02900	100.0
86.03234	0.9
87.04475	2.6
87.08102	16.9
90.72977	0.3
91.03947	6.7
91.05479	0.7
95.08587	0.5
97.02886	20.6
98.03271	0.4
99.04453	4.2
100.94164	0.4
101.02378	1.0
103.03944	0.9
105.07020	0.5
105.09142	1.3
107.08528	0.4
109.02879	8.3
109.10106	0.3
110.06026	0.4
115.03930	1.4
115.07573	0.3
119.04910	0.4
120.08122	0.6
127.03912	20.8
128.10732	0.5
133.08604	1.4
136.07562	2.0
145.04950	25.9
150.07755	1.7
153.01855	1.1
163.06010	3.4
177.05597	0.3
181.08597	0.4
221.03441	0.5
255.64577	0.3
277.10715	0.5
278.10336	0.4
295.03452	0.7
295.16379	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1901
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
53.03925	1.1
55.01863	5.5
55.05512	6.4
56.96574	1.7
57.07077	2.9
66.71483	1.0
67.05503	9.9
69.03431	2.2
69.07068	13.6
71.04978	1.5
71.08617	1.3
71.59373	1.8
79.05486	7.5
81.06573	2.4
81.07051	40.8
82.07366	1.1
83.04951	3.9
83.08604	5.8
85.02886	1.5
85.06522	2.6
91.05473	4.0
93.07053	8.5
95.04979	2.2
95.08605	16.7
97.02871	1.2
97.10116	2.1
97.39180	1.1
98.97572	1.2
99.08084	2.1
105.07037	7.2
107.08588	8.0
109.06521	12.0
109.10152	8.9
110.10428	1.2
111.04433	11.8
111.08068	1.5
116.98604	1.3
119.08555	5.8
121.06477	1.6
121.10157	6.1
123.08082	2.9
123.11707	4.2
125.05993	2.9
128.06210	1.1
131.08543	3.0
133.10129	4.8
134.99652	1.1
135.08035	5.8
135.11670	3.9
137.05969	100.0
137.09595	2.1
137.13245	3.5
138.06293	1.3
141.09052	1.5
143.08633	1.6
145.10143	2.4
147.08092	2.8
147.11713	6.3
148.68155	1.1
149.09592	3.6
149.13239	3.1
151.07608	2.5
151.08749	1.1
151.11107	1.2
153.12675	1.3
157.10120	2.1
159.11620	1.9
161.09625	4.9
161.13254	3.4
163.11182	1.1
163.14909	2.0
165.09114	1.8
169.10115	1.4
171.11653	1.6
173.13229	1.6
175.11131	4.0
175.14760	1.5
177.00677	1.6
179.10571	1.5
181.12210	1.3
183.11624	1.7
185.13235	1.2
189.12726	1.2
193.12178	1.4
203.17920	6.1
204.13194	1.0
213.16399	1.9
221.18996	2.9
231.17429	7.8
234.10371	2.0
235.07620	1.5
241.15753	1.2
249.18513	12.1
259.24155	1.9
265.12323	2.6
274.16232	1.2
277.18011	45.8
277.21243	2.5
295.09714	2.4
295.19250	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	294.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01867	0.9
56.05029	0.6
56.96564	1.7
57.03440	2.4
58.06589	0.3
61.02922	1.5
67.01853	0.8
67.05494	0.4
69.03426	10.7
69.07063	9.6
69.91438	1.6
70.06586	0.4
71.04993	1.2
72.04531	0.4
73.02905	1.4
81.03418	2.7
83.04977	0.7
85.02900	10.4
85.06534	0.7
85.59264	0.3
86.03217	0.3
86.09702	100.0
87.04467	1.3
87.10040	0.8
91.03940	0.4
97.02885	6.0
98.09704	0.5
98.97584	2.5
99.04432	2.0
101.02406	0.6
109.02892	2.4
110.97583	0.6
112.99155	0.8
115.03967	0.5
116.98621	1.5
119.01921	0.8
127.03916	10.8
128.04236	0.4
128.98634	1.0
131.00182	0.7
131.01894	0.4
132.10202	11.1
133.03458	0.4
134.99681	0.5
145.04958	3.4
147.05028	0.3
149.02887	0.5
153.01820	0.7
153.05789	0.6
158.99681	0.6
161.02977	0.6
161.06757	0.4
163.04498	0.4
169.04427	0.4
170.05130	0.4
173.04460	2.4
175.04478	1.3
177.00774	0.8
178.04997	0.9
184.04939	1.4
187.02730	0.4
189.06128	0.5
191.03886	0.7
191.05450	0.6
193.03851	0.6
200.04431	0.5
201.00603	0.6
201.06082	0.4
202.01070	0.3
203.04066	0.4
203.07732	0.4
207.01923	0.3
212.12915	1.4
213.07059	1.0
219.01875	0.7
221.05107	0.6
223.04939	0.4
229.06403	0.3
230.13800	2.5
232.02135	0.4
237.02892	1.1
248.14845	0.6
249.06418	0.4
250.07259	0.3
258.13364	5.2
276.14407	10.1
277.05984	0.6
291.09357	0.8
294.06299	0.4
294.09647	1.8
294.15381	5.3
294.18201	0.4
295.07071	1.0
303.01462	0.5
305.10953	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2062
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
57.07080	0.8
67.05507	0.7
69.07045	0.3
71.08620	0.3
79.05482	0.4
80.28905	0.1
81.07048	1.9
88.07582	0.1
91.05477	0.4
91.40459	0.1
94.04188	1.4
96.83921	0.1
100.07621	0.1
107.04931	0.2
109.06506	0.3
122.03637	5.8
123.11696	1.4
137.05965	100.0
138.06322	1.3
139.11159	0.2
158.15388	1.3
170.15390	2.3
186.28636	0.1
209.11685	0.2
217.23485	0.1
238.11504	0.2
276.20605	0.2
294.20645	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2837
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
51.80724	0.3
53.03944	0.6
55.01872	0.5
55.05507	18.7
56.96555	0.4
57.03447	0.4
57.07072	10.1
59.05010	0.6
59.05795	0.4
65.03925	1.1
66.04700	0.4
67.05502	28.2
68.94794	0.4
69.03426	0.7
69.07064	37.8
70.07393	0.5
70.93340	0.5
70.93654	0.9
71.04987	1.5
71.08623	4.2
79.05488	10.3
81.07052	100.0
81.70960	0.4
82.07385	0.8
83.04987	0.5
83.08615	19.1
83.09113	1.0
85.06538	10.0
85.10192	1.9
91.05475	2.8
93.07041	12.7
95.04958	1.9
95.08601	83.1
96.08932	1.0
97.06554	1.0
97.10165	12.6
98.97569	2.0
99.04471	0.4
99.08089	8.7
103.05464	1.0
105.07021	2.5
107.08591	12.3
107.09293	0.9
109.06482	1.4
109.10149	49.1
110.10510	0.5
111.08088	1.5
111.11707	8.4
113.09639	5.7
115.11221	0.4
116.98617	0.9
119.08566	2.7
121.06537	0.7
121.10144	9.6
123.04391	0.6
123.08086	1.0
123.11700	26.7
125.09628	1.9
125.13276	2.6
127.11188	1.3
129.12727	0.6
131.04921	3.4
131.08549	1.2
133.10127	1.8
134.99681	0.8
135.08057	2.8
135.11685	6.7
137.09593	1.4
137.13246	9.9
137.14240	0.8
139.11220	1.0
139.14783	0.7
141.12688	0.6
143.08560	0.9
145.10127	0.9
147.11676	0.8
149.09625	2.0
149.13255	9.4
149.14362	0.4
151.14813	8.1
157.10132	0.8
159.11697	1.4
161.09637	1.3
163.11162	0.8
163.14835	5.2
165.16373	5.7
171.11646	0.7
173.13242	1.5
175.11192	1.0
175.14761	0.6
177.00691	1.0
177.12813	0.6
177.16380	2.9
179.17931	2.7
191.17953	1.7
193.12227	0.9
193.19510	1.0
195.17422	0.6
199.14825	1.2
201.12721	1.0
205.19571	2.3
207.13934	0.5
215.10764	0.5
218.45482	0.5
219.13821	3.2
219.20935	2.5
221.88753	0.4
222.06889	0.4
223.20543	1.6
233.22641	0.6
237.14796	2.6
237.22191	0.6
239.76071	0.4
257.15323	0.4
257.19077	0.7
275.20102	4.7
275.27289	4.5
293.02463	0.4
293.17371	1.4
293.21100	12.1
293.28342	25.4
294.21393	0.9
294.28537	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08164	0.8
53.03935	1.5
55.05508	31.3
56.96570	1.4
57.07072	16.4
57.17040	0.8
59.04988	0.8
67.05502	39.1
69.07064	46.8
70.66692	3.2
71.04966	1.3
71.08630	10.9
75.03276	0.8
79.05486	20.4
81.07051	100.0
82.07380	2.0
83.04963	1.1
83.08140	1.6
83.08614	29.6
85.02905	1.1
85.06535	14.6
85.10194	4.7
87.80091	0.8
90.00404	0.9
91.05474	6.5
93.07040	34.5
95.04955	2.1
95.08601	80.4
96.08899	1.8
97.06527	2.2
97.10161	19.7
98.97584	4.7
99.08084	11.1
105.07021	2.9
107.08589	33.3
109.06499	1.1
109.10151	51.7
111.08073	2.1
111.11707	10.6
113.09624	2.7
116.98618	3.1
119.08552	1.8
121.10143	18.5
123.11707	24.6
125.13249	3.2
131.04875	0.9
133.10094	1.0
134.99638	1.6
135.11682	16.0
137.13254	11.4
139.11174	2.0
149.09540	0.9
149.13252	25.2
151.14827	5.7
158.99623	3.1
163.14821	9.3
165.16422	2.5
175.11322	1.0
176.29817	0.9
177.00699	2.9
177.16394	5.6
179.17949	3.4
181.15829	1.1
191.14447	1.1
191.17842	3.0
193.19456	3.0
195.17477	1.6
198.25868	1.0
205.19489	4.4
219.01692	1.3
219.21103	4.0
223.20525	4.6
233.15424	2.8
250.15132	0.9
272.14615	1.4
273.15469	4.3
275.20081	2.0
275.23984	1.3
275.27298	10.6
293.21359	1.6
293.24911	3.2
293.28351	54.6
294.28790	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2473
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
51.66188	1.3
53.03936	1.6
55.01858	1.4
55.05503	14.3
57.03440	1.6
57.07058	2.5
65.03940	4.5
66.55415	1.2
67.05503	98.5
68.53775	1.3
69.03429	1.2
69.07063	14.2
71.04984	1.4
71.08646	1.7
71.59597	1.3
71.60000	2.1
79.05495	22.6
81.03423	2.4
81.07056	100.0
83.04960	3.4
83.08612	10.5
85.06554	2.9
91.05482	14.9
91.16468	1.3
93.07052	26.3
93.07632	2.3
95.04956	7.3
95.08607	81.2
97.06548	7.1
97.10175	5.6
99.08098	1.3
105.07027	17.4
107.05024	2.0
107.08595	19.9
109.06525	5.1
109.10154	35.9
111.08104	3.1
111.11705	1.4
112.72821	1.2
117.06995	7.2
119.08582	16.2
121.06496	2.3
121.10154	15.2
123.08071	4.7
123.11700	17.9
125.09634	3.1
129.07021	1.9
130.07785	1.4
131.08569	13.7
133.10133	12.2
134.51256	1.2
135.08064	4.2
135.11707	11.2
137.09636	4.9
137.13252	9.9
139.11217	2.2
141.09145	1.3
145.10097	10.1
147.11662	9.3
149.09619	14.2
149.13295	4.9
151.11179	6.1
151.14751	6.4
155.08594	2.6
157.10101	1.8
159.11690	10.1
161.13261	4.3
163.11192	15.9
163.14830	3.5
165.12781	4.9
169.10121	2.6
171.11723	2.3
173.13272	8.7
175.14861	2.0
177.12694	3.4
177.16374	2.7
179.14359	2.9
183.11777	2.7
187.14822	4.3
191.14380	2.1
197.13316	1.8
209.11781	1.7
209.15454	1.8
215.14279	1.7
215.17981	1.6
219.21001	1.6
229.19449	2.4
237.11209	2.6
239.17972	9.2
243.21130	8.5
247.20581	1.8
257.19055	14.8
261.22293	6.3
272.81552	1.3
275.20056	61.9
276.20395	2.6
293.15598	1.8
293.21213	11.5
293.24762	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	293.2472
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03936	2.5
55.05505	7.9
57.07064	1.7
65.03938	2.1
67.05500	94.2
69.07056	8.6
69.37741	10.8
79.05488	10.7
81.07053	100.0
82.07381	1.2
83.04984	1.3
83.08614	4.6
85.06527	1.4
91.05468	4.9
93.07038	11.9
95.08601	81.0
96.03523	1.1
97.06514	1.2
97.10159	2.6
105.07028	3.5
107.08594	9.0
109.06544	2.1
109.10152	36.9
111.08041	1.3
117.06952	1.5
119.08576	3.9
121.10113	6.8
123.08026	1.9
123.11697	20.5
131.08583	3.8
133.10141	3.0
135.11662	5.8
137.09654	1.3
137.13269	7.6
145.10152	3.5
147.11674	2.7
148.02606	1.2
149.09621	2.1
149.13181	2.7
151.11101	2.4
151.14795	3.0
159.11714	2.6
163.11212	1.7
163.14804	1.8
164.91136	1.2
165.16551	1.4
166.64001	1.5
173.13240	3.3
177.12709	1.6
183.14151	1.0
187.14873	2.6
191.14281	1.7
193.10114	1.6
195.11629	1.4
235.11243	1.9
243.21040	3.8
261.22131	7.3
265.15976	1.4
272.86722	1.1
293.15457	11.6
293.24738	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.24252	2.0
53.03927	2.9
55.01872	4.5
55.05510	22.1
56.82278	2.1
57.03434	4.8
57.07066	8.5
59.05005	4.3
65.03961	2.7
67.05499	34.0
69.03433	8.6
69.07069	21.5
69.50272	11.4
69.50675	6.6
71.04990	14.0
79.05485	24.6
81.03410	9.3
81.07049	55.8
83.04983	24.3
83.08625	12.2
85.02911	5.2
85.06535	30.4
91.05471	30.4
93.07037	61.0
95.04935	11.2
95.08603	64.1
97.06538	9.3
97.10159	4.3
98.11841	2.0
98.97569	2.7
99.08076	6.1
101.06014	13.0
103.05475	2.8
105.07021	43.1
107.04932	6.0
107.08584	50.0
109.02880	10.6
109.06516	19.1
109.10152	43.6
111.08038	13.0
112.61414	2.3
113.09636	32.1
117.06996	12.8
119.08568	50.3
121.06534	6.3
121.10125	41.1
123.04420	5.5
123.08053	16.1
123.11697	13.6
125.09626	11.3
129.06998	4.0
129.09108	2.7
130.07811	2.3
131.04964	2.4
131.08556	24.1
133.10115	44.4
134.72792	2.7
135.08049	24.2
135.11678	32.8
137.09613	40.4
137.13229	3.5
139.03854	2.9
139.11224	3.2
141.04416	3.7
142.07784	3.4
143.08586	9.9
144.09308	2.4
145.10124	24.2
147.08057	10.0
147.11673	15.7
149.02344	9.6
149.09608	18.2
149.13229	7.5
151.11205	4.1
157.10075	12.2
159.08058	4.7
159.11699	38.1
161.09589	9.0
161.13277	7.6
163.11189	22.5
165.09042	10.8
167.10661	4.4
169.10139	6.9
170.11133	2.5
171.11691	7.0
173.09642	3.8
173.13261	37.8
175.07515	2.2
175.11157	10.5
175.14807	17.8
177.12781	4.1
179.10600	4.0
183.11786	6.6
187.11174	4.2
187.14908	5.4
189.12712	3.5
189.16391	3.6
191.14328	9.3
193.15865	7.7
197.13312	5.1
199.14822	17.1
201.12743	15.0
201.18092	2.6
203.07033	4.8
213.16289	2.9
215.14406	5.3
215.18015	5.4
217.15819	25.0
219.13776	5.4
229.19528	4.3
229.39711	2.3
231.17509	3.4
233.15361	3.1
233.19031	4.0
237.14818	5.1
239.18021	10.3
257.19009	29.6
263.20163	7.8
265.21597	7.0
275.20050	100.0
276.20334	4.0
293.21118	58.7
293.24405	4.3
294.21213	2.4
311.52713	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03953	3.0
55.01858	6.2
55.05509	30.2
55.26363	2.5
56.96558	7.3
57.03419	8.2
57.07064	10.0
59.04994	3.5
67.05502	37.7
68.00522	2.1
69.03423	8.3
69.07065	36.2
70.16934	8.8
71.04992	15.5
71.08659	2.0
78.82441	2.0
79.05497	30.7
81.03432	13.1
81.07056	84.8
83.04971	23.0
83.08607	14.6
85.02899	7.0
85.06538	32.4
89.03905	5.4
91.05483	28.2
93.07034	65.3
95.04999	10.2
95.08607	100.0
97.02811	2.3
97.06512	8.3
97.10168	11.5
99.08081	7.5
105.07021	38.6
107.04976	7.0
107.07874	3.6
107.08596	62.1
109.02881	12.6
109.06530	15.3
109.10158	59.3
111.08079	14.9
111.11683	5.2
113.09650	24.4
117.03345	7.2
117.07009	10.7
119.08569	47.2
121.06495	7.3
121.10143	49.5
123.04440	23.0
123.08052	16.1
123.11699	24.2
125.09637	8.6
126.75026	2.3
128.06148	2.9
129.06993	4.8
131.04893	4.3
131.08549	24.0
133.06419	3.1
133.10133	45.5
135.08051	24.5
135.11684	40.4
137.09610	42.1
137.13225	8.0
139.03893	5.8
139.11182	4.4
141.04404	3.4
143.08543	9.6
144.09314	3.8
145.02849	15.8
145.10123	23.4
147.04375	9.3
147.08037	11.4
147.11684	16.7
149.09619	17.4
149.13268	8.4
151.11186	4.9
151.14824	3.6
153.01819	2.4
155.08545	3.1
156.09322	3.0
157.06287	2.0
157.10117	14.6
158.10899	2.5
159.08043	3.4
159.11690	33.5
161.05966	2.2
161.09616	9.7
161.13269	6.9
163.03853	2.4
163.11186	24.1
163.14816	7.5
165.09125	9.1
167.10687	8.0
169.01813	2.7
169.10153	2.9
171.11702	9.0
173.13264	36.2
175.11232	7.1
175.14847	21.8
177.05450	25.1
177.12773	6.5
177.16393	3.7
179.10733	3.4
183.11687	9.4
184.12569	3.1
185.13242	3.4
187.11176	6.0
187.14824	9.9
189.12767	2.7
191.14355	10.2
193.12286	2.6
193.15857	7.9
195.11591	2.3
197.01250	4.5
197.13278	7.0
197.88853	2.4
199.14813	18.7
201.12677	10.0
203.14259	3.0
205.15985	2.3
213.16338	2.9
215.14381	4.0
215.17924	7.4
217.15894	26.2
219.13725	5.3
219.17366	2.7
227.02298	6.7
229.19595	5.8
233.19008	2.8
237.14771	3.4
239.17963	10.3
245.03310	4.0
245.19026	3.5
247.20573	2.3
257.19025	30.0
263.20016	8.2
265.21671	8.4
269.03314	6.1
273.07550	8.1
275.20068	98.6
276.20361	3.1
287.04318	3.2
293.21140	61.1
293.24438	3.6
293.28030	10.9
294.21463	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03931	4.9
55.01870	9.8
55.05506	25.7
56.96571	5.3
57.03432	5.1
57.07062	7.4
57.11370	1.9
62.16872	1.9
65.03947	2.1
65.08585	2.0
66.11343	1.9
67.05177	2.4
67.05504	43.8
69.03439	4.5
69.07066	23.5
69.51144	4.5
69.51555	12.8
70.34357	2.1
71.04978	4.7
71.08607	2.8
72.92608	2.1
79.05054	3.4
79.05490	43.1
81.03393	4.6
81.07053	100.0
83.04958	5.0
83.08609	14.9
85.06535	4.9
85.86303	1.7
91.05471	34.0
93.07035	36.9
95.04965	19.8
95.08597	36.1
97.06516	8.0
97.10160	6.5
99.08089	2.5
101.05953	2.4
105.07018	38.1
107.04929	7.2
107.08580	28.2
109.06514	26.6
109.10155	15.9
111.08073	7.4
117.07010	9.4
119.07785	3.6
119.08570	36.2
119.09358	3.1
121.06461	5.6
121.10120	15.7
122.03643	4.5
123.04426	7.7
123.08067	14.4
123.11722	9.7
124.04772	2.8
125.09619	5.2
129.06982	4.5
129.98601	2.2
131.08556	14.4
133.10132	26.4
135.08043	9.3
135.11678	8.0
137.05969	58.8
137.09601	10.9
139.11131	3.9
143.08546	4.8
145.10126	16.6
147.11676	14.9
149.09613	13.0
149.13245	4.4
151.11191	7.4
155.08612	3.0
157.10092	4.2
159.11658	10.8
161.09601	3.7
161.13231	5.2
163.11165	11.8
163.14803	2.1
165.12708	4.0
171.11700	4.2
173.13245	6.0
175.11205	5.9
177.12729	3.7
179.14238	2.3
183.11713	2.7
185.13248	1.9
187.11121	2.6
187.14833	2.3
191.03412	2.2
191.10727	2.5
191.14322	2.3
197.13261	3.1
201.12758	2.5
215.14250	2.4
219.02866	5.4
223.13226	2.7
229.19551	5.3
237.11162	4.8
239.17870	3.5
247.20624	6.3
257.19061	13.2
261.56204	2.2
265.21729	2.1
275.16974	4.7
275.20047	86.3
276.20428	4.6
293.02893	4.3
293.15137	5.5
293.21085	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	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.36866	0.9
53.03955	1.8
55.01855	3.9
55.05257	1.5
55.05510	17.6
56.96548	1.8
57.03413	1.3
57.06786	1.3
57.07071	25.9
65.03909	1.1
67.05499	29.9
69.03406	2.9
69.07065	29.3
70.79543	2.2
70.79910	2.2
71.04985	4.4
71.08623	2.7
73.86330	1.0
79.05060	1.5
79.05487	19.7
81.03409	2.0
81.07049	56.7
83.04980	8.8
83.08617	9.3
85.02892	2.2
85.06541	20.0
91.05465	18.9
91.76952	1.1
93.07031	23.2
95.04963	8.2
95.08598	38.0
97.06520	4.1
97.10171	8.1
97.15260	1.1
98.97554	1.6
99.08076	3.5
99.11684	1.3
103.05437	2.5
105.07020	23.1
107.04939	4.8
107.08586	19.5
109.06499	10.5
109.10140	19.9
111.08018	1.7
111.11712	2.3
117.06998	7.6
119.08569	16.3
121.06477	8.0
121.10141	15.0
123.08089	6.6
123.11681	9.9
125.09592	2.4
127.11166	1.6
131.04932	5.5
131.08566	10.8
133.06476	2.5
133.10118	17.5
135.08058	4.0
135.11681	8.4
137.09613	2.9
137.13229	4.6
143.08539	2.0
145.10106	12.1
147.08069	2.5
147.11693	10.0
149.09644	5.3
149.13219	6.2
151.11172	6.8
151.14754	1.6
155.08548	1.9
157.10110	2.6
159.08060	1.6
159.11700	5.8
161.09618	4.2
161.13268	3.8
163.03922	1.4
163.11133	5.2
163.14809	3.7
165.16417	1.9
166.78818	1.0
169.10138	1.6
171.11697	2.8
173.09695	2.2
173.13226	6.1
175.11082	2.2
175.14818	1.4
183.11690	1.7
187.14734	2.0
189.12761	1.5
191.03444	1.2
191.14310	2.8
197.13158	1.4
199.11237	1.2
201.12827	2.2
205.15909	1.1
205.19313	1.4
207.13803	1.5
213.16359	1.1
215.17897	1.7
219.02763	1.2
219.13800	2.8
219.21082	1.5
229.19466	2.1
233.15387	1.5
239.17882	3.5
247.20583	2.3
251.13344	1.2
257.18970	12.7
257.21738	1.2
257.22610	1.0
271.31265	1.0
272.14658	1.7
275.20050	100.0
276.20267	1.4
293.02963	1.6
293.12390	1.1
293.15482	4.2
293.21109	35.1
293.24670	5.5
293.28333	6.6
301.16595	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03928	4.0
54.42955	1.3
55.01864	13.4
55.05508	26.4
56.96545	3.2
57.03411	1.8
57.07053	4.1
67.05502	29.0
69.03397	3.6
69.07063	19.1
71.04980	4.5
71.34152	1.7
71.34483	2.6
79.05061	2.3
79.05488	42.2
81.03417	5.8
81.07050	30.0
82.07419	1.8
83.04955	6.1
83.08619	13.2
91.05472	26.1
93.07030	24.7
95.04980	7.6
95.08603	19.1
97.06522	20.5
97.10164	18.7
99.08091	2.4
103.05437	3.4
105.07018	33.3
107.04952	7.6
107.08585	100.0
109.06501	6.0
109.10149	13.4
111.08082	2.6
116.98595	2.4
117.07001	6.9
119.08576	17.4
121.06521	1.8
121.10153	12.6
123.04410	1.5
123.08041	3.9
123.11680	4.9
125.09609	16.7
129.06944	2.1
131.04915	6.7
131.08543	9.9
131.93623	1.4
133.06480	1.8
133.10118	18.0
134.99673	2.2
135.08025	4.5
135.11659	7.6
136.75494	1.6
137.09601	3.0
137.25124	1.6
145.06447	2.0
145.10112	12.2
147.11658	11.0
149.01169	1.8
149.09592	15.8
149.13242	2.3
151.11191	3.6
152.93359	1.5
155.08560	2.3
157.10097	2.8
159.08070	2.0
159.11667	7.8
161.13258	4.2
162.88121	1.5
163.11137	6.7
165.09157	1.4
169.09964	1.5
171.11746	2.1
173.13292	3.7
175.11227	2.4
175.14725	1.4
175.96620	1.4
181.12256	2.4
183.11815	1.6
187.11159	4.1
189.11200	16.9
196.00713	1.8
205.19380	2.0
219.02916	3.0
229.19524	3.5
239.17918	5.2
247.02525	1.9
247.20580	2.6
257.18921	9.3
275.20047	91.1
276.20352	5.2
292.64426	3.0
293.02811	3.1
293.15018	5.4
293.21078	13.8
293.27893	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	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03860	1.3
53.04077	1.0
55.01755	2.8
55.02044	1.1
55.05395	7.7
55.05696	3.0
57.03356	0.9
57.06953	2.0
57.07258	1.1
67.05372	20.0
67.05775	5.0
69.03329	1.3
69.06934	16.0
69.07353	3.9
70.73612	1.3
71.04903	1.3
77.03836	0.7
79.05352	13.8
79.05868	2.4
81.03329	0.7
81.06913	23.3
81.07449	3.5
83.04841	6.3
83.08485	4.1
85.06393	2.0
91.05333	15.5
91.05965	2.1
93.06893	19.8
93.07537	2.4
95.04816	6.9
95.08456	16.8
95.09126	1.6
97.06375	3.6
97.10031	2.0
99.07940	0.8
103.05328	0.7
105.06876	20.4
105.07657	2.0
107.04803	5.5
107.08440	12.7
109.06367	9.4
109.09994	8.0
111.07903	2.5
117.07009	5.0
119.08424	12.8
121.06493	7.7
121.09982	7.3
123.08049	4.0
123.11543	2.3
129.06854	1.7
129.78885	0.6
131.08560	10.8
133.06323	2.4
133.10114	16.4
135.08046	3.8
135.11670	3.9
137.09462	2.1
141.06897	0.6
143.08435	2.3
145.06308	1.9
145.10097	9.1
147.07872	2.4
147.11662	11.5
149.09615	4.3
149.13136	2.3
151.11171	6.3
155.08440	0.9
157.09982	2.8
159.07956	1.0
159.11696	4.1
159.92154	0.6
161.09462	2.8
161.13206	3.0
163.11192	4.5
165.12680	1.2
169.10005	1.2
171.11572	2.4
173.09494	2.2
173.13257	4.1
175.11049	2.4
177.12752	1.2
179.14165	1.0
183.11642	1.3
187.11023	2.0
187.14713	1.3
189.12616	1.2
191.14175	2.5
197.13106	1.2
199.14647	1.0
201.12761	3.3
205.19466	1.1
207.13730	2.8
211.14795	0.8
215.14191	0.9
215.17908	1.5
219.13739	3.5
220.45755	0.7
229.19357	2.3
231.17426	1.6
235.17061	0.7
239.17986	4.0
247.20642	3.1
257.18997	12.5
275.20041	100.0
276.20346	3.8
293.15646	1.3
293.21100	31.7
294.21448	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03942	5.3
55.01874	11.5
55.05507	58.0
57.03446	3.8
57.07064	8.6
67.05500	42.9
67.09847	2.3
69.03439	3.6
69.07068	15.5
69.38057	3.1
69.38462	17.5
71.04971	5.5
71.28963	2.2
75.01707	2.4
79.05489	90.4
81.03423	3.8
81.07054	38.5
83.04976	23.9
83.08608	17.5
85.06538	5.0
91.05477	30.7
93.07043	42.1
95.04960	9.6
95.08575	16.9
95.63297	2.2
97.06533	7.6
97.10164	28.3
105.07034	33.0
107.04948	45.9
107.08592	71.1
109.06512	5.3
109.10139	19.7
111.08057	6.4
117.07001	11.2
119.08582	27.1
121.06519	5.1
121.10130	24.1
123.08084	3.9
123.11712	7.9
125.09624	30.7
131.08539	13.9
133.10143	27.1
135.08060	14.3
135.11664	6.0
137.09627	3.7
139.59477	2.1
145.10098	14.3
147.11676	16.9
149.09610	88.4
150.09894	2.5
151.11168	2.5
153.09058	4.7
159.11736	10.3
161.13277	7.6
161.94241	2.5
163.11183	4.9
163.14775	2.9
169.10243	2.5
169.12245	5.9
171.10153	3.3
171.11636	2.4
173.11838	4.8
173.13280	7.9
181.04907	5.5
183.11636	3.0
187.11192	2.4
187.13295	3.8
189.11220	26.2
191.10614	3.0
191.14319	2.5
209.11742	5.8
209.15352	5.6
210.26610	2.3
229.19446	11.7
237.11189	17.1
247.20598	5.3
257.19003	24.5
275.20053	100.0
276.20392	5.0
290.57718	2.4
293.15024	2.5
293.21106	11.0
298.76025	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	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01858	5.0
55.05505	17.8
57.07061	3.5
60.76810	2.4
67.05501	97.7
69.03416	4.0
69.07066	13.6
71.04977	3.5
79.05495	24.5
81.06580	5.1
81.07052	100.0
82.50975	2.2
83.04987	4.2
83.08624	11.8
85.06527	3.6
90.78138	2.4
91.05474	17.5
93.07029	30.4
95.04951	9.8
95.08603	84.4
96.14480	2.5
97.06510	8.0
97.10138	5.4
105.07036	17.0
107.04936	4.8
107.08597	23.9
109.06532	3.7
109.09583	2.5
109.10162	33.8
111.08054	6.1
113.09677	2.4
117.06995	9.7
119.08557	17.8
121.06508	2.3
121.10130	20.2
122.29063	2.3
123.08037	6.7
123.11703	16.2
125.09612	4.3
130.82832	2.2
131.08549	9.8
133.10127	14.1
135.08023	7.4
135.11679	11.2
137.09584	7.0
137.13260	6.1
145.10091	14.7
147.11667	10.0
149.09622	18.3
149.13208	6.3
151.11168	7.6
151.14784	4.2
159.11691	13.1
161.13190	6.0
163.11166	15.1
165.12750	6.2
171.11749	3.3
173.09705	3.2
173.13260	12.1
175.11195	2.7
177.12662	3.9
177.16472	3.4
179.14209	3.2
181.31366	2.5
183.11658	2.8
187.14803	4.7
191.10712	3.1
191.14326	2.3
192.45929	2.6
197.13206	3.6
213.16727	2.4
225.26903	2.4
229.19484	3.9
237.11215	4.2
239.17915	7.9
243.21071	8.4
253.55893	2.5
257.19000	21.8
261.22314	3.6
266.13751	2.5
275.20056	74.7
275.23071	4.6
276.20447	2.7
277.03732	2.6
293.15048	5.2
293.21167	9.3
293.24701	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	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03944	3.7
55.01867	7.8
55.05506	13.8
57.03431	2.6
57.07076	1.9
59.04988	0.7
65.03937	1.4
67.05502	31.5
69.03432	2.0
69.07062	15.8
71.04987	3.2
71.08648	1.1
77.66576	0.7
79.05132	0.8
79.05487	33.6
81.03419	5.7
81.07052	100.0
82.07388	0.9
83.04982	4.4
83.08620	10.2
85.02935	0.7
85.06532	2.3
91.05473	21.1
93.07038	19.2
95.04961	14.4
95.08598	18.1
97.06524	7.3
97.10168	1.7
99.04446	0.8
99.08110	2.9
105.07024	21.7
107.04954	8.2
107.08585	14.5
109.06509	44.3
109.10151	7.8
111.08095	4.3
117.07008	6.1
119.08572	18.1
119.09433	0.7
121.06509	4.4
121.10136	10.5
123.04367	0.9
123.08056	8.4
123.11710	3.5
125.09595	1.1
129.06975	3.2
129.17392	0.6
131.08559	10.2
132.59695	0.7
133.06503	1.5
133.10120	16.4
135.08038	4.2
135.11670	4.3
137.09602	3.7
137.13254	1.1
143.08592	2.3
145.06468	1.9
145.10123	8.0
147.08035	1.9
147.11679	13.3
149.09610	6.7
149.13269	5.9
151.11185	4.2
154.07825	0.8
155.08533	1.5
157.10182	4.1
159.11667	8.2
161.09581	1.3
161.13240	3.5
163.11198	6.0
163.14822	2.5
165.11559	0.7
165.12703	4.2
169.10136	0.7
171.11659	2.0
173.09616	2.5
173.13219	3.8
175.11212	3.5
175.14864	1.3
177.12761	2.2
179.14331	1.6
183.11699	1.8
185.13263	1.2
187.11224	2.0
187.14806	1.7
191.14308	1.5
193.12228	4.7
197.13264	1.6
201.12782	1.4
205.53404	0.8
207.13812	1.1
211.14922	1.3
215.14218	1.3
215.17947	1.1
219.13867	1.0
219.17404	1.1
223.13272	1.0
229.19511	3.3
237.11311	1.1
239.17984	3.1
247.20534	5.4
257.19000	8.3
275.20047	64.3
276.20544	1.8
293.15628	1.4
293.21075	34.9
293.28162	1.0
294.21475	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.16695	2.0
53.03933	4.7
55.01869	9.4
55.05261	2.6
55.05502	34.1
56.96543	7.0
57.03415	3.1
57.07051	5.6
59.04982	2.2
65.03907	3.7
67.05499	44.2
69.03407	6.8
69.06719	3.1
69.07059	35.4
70.72250	6.5
71.04964	8.0
79.05488	35.9
81.03405	7.7
81.06577	3.9
81.07047	77.3
83.04956	8.7
83.08601	10.6
85.02867	6.3
85.06527	8.6
91.05457	27.2
93.06458	3.5
93.07033	37.4
95.04948	18.1
95.08596	51.5
97.02863	3.5
97.06505	13.0
97.10156	22.3
99.04417	3.3
99.08045	3.7
103.05441	2.3
103.88617	2.3
105.07012	33.5
107.04938	8.0
107.08579	37.5
109.06516	24.6
109.10153	31.2
111.08072	8.0
113.06027	2.5
113.09590	4.7
116.98595	5.3
117.06998	9.3
119.04900	2.5
119.08571	32.5
121.06520	10.3
121.10133	26.0
123.04386	13.1
123.08067	11.5
123.11683	13.6
124.04762	2.8
125.09637	14.1
129.07004	4.4
131.04921	10.6
131.08562	19.5
133.10110	23.6
135.04399	2.2
135.08054	10.3
135.11662	15.2
137.09573	8.0
137.13240	7.8
139.03873	6.2
139.11182	4.5
140.04247	4.6
141.04361	3.4
141.09081	2.8
142.07832	2.6
143.08603	4.8
145.10114	18.0
147.04349	6.3
147.08029	4.0
147.11693	19.8
149.09608	20.9
149.13232	7.6
151.03899	2.9
151.07426	2.2
151.11151	6.2
151.14886	2.2
153.05385	2.5
155.08516	2.6
157.10117	5.0
158.99599	2.1
159.11671	16.9
161.09586	4.2
161.13261	11.1
163.03886	2.9
163.11147	10.6
163.14784	4.9
165.09106	2.9
165.12764	4.7
168.43877	2.1
169.10042	2.4
171.11653	2.7
173.09665	2.5
173.13203	13.7
175.03949	2.4
175.11070	4.6
175.14813	2.1
177.12723	9.1
179.10606	3.3
179.14319	3.0
183.11728	2.5
187.14810	6.4
189.11208	4.9
189.12839	4.3
189.16408	3.0
191.03378	7.1
191.14304	4.9
193.12325	3.3
197.01112	11.5
197.13260	2.2
203.03380	6.2
215.02242	4.5
215.09099	2.0
215.14316	3.4
217.15721	2.9
219.13782	4.9
223.13261	5.4
224.11876	2.0
229.15782	2.5
229.19498	7.0
233.19002	3.1
236.91057	2.2
237.14870	4.7
239.17851	5.8
247.20551	7.1
253.04518	4.6
257.18970	14.3
262.05032	8.1
265.15939	2.7
271.05411	7.0
272.11047	2.2
273.55624	2.8
275.20047	77.2
275.23151	4.4
293.15271	7.3
293.21075	100.0
293.24649	7.5
293.27982	3.1
294.21002	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	293.2105
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
50.93434	3.2
53.03941	30.4
53.44482	3.1
53.68427	3.8
55.01863	14.3
55.05506	22.2
57.07067	9.5
57.76935	3.3
62.30521	3.0
67.05498	64.4
69.03430	3.0
69.07066	46.9
70.54348	11.7
71.04986	3.4
79.05493	35.9
81.03414	50.8
81.07049	89.4
83.04986	17.4
83.08617	6.2
83.42631	3.0
91.05469	62.2
93.07037	45.5
95.01320	10.3
95.04969	19.3
95.08607	57.2
97.06532	26.8
97.10145	7.2
99.04463	3.6
99.08086	4.3
101.77382	3.5
105.07025	99.6
107.04932	27.4
107.08607	23.2
109.06500	8.7
109.10155	12.0
111.04427	4.2
111.08046	5.5
117.07005	14.2
119.08576	52.7
121.06493	10.2
121.10149	10.2
123.04469	3.2
123.08050	16.4
123.11698	3.1
125.06015	3.7
125.09644	3.8
129.06992	4.0
131.08556	28.2
133.10124	64.7
134.21342	3.4
135.08028	6.0
135.11642	17.1
141.06972	6.4
143.08528	5.4
145.06537	9.5
145.10136	18.0
147.11670	26.6
149.09656	9.9
149.13243	11.0
153.05472	3.4
157.10136	5.3
159.11642	17.6
161.13240	6.3
163.11095	3.6
169.10126	8.9
171.11668	5.3
173.13232	6.3
177.12724	7.7
179.14247	15.3
181.04958	3.1
183.11697	5.7
187.11212	18.3
191.10716	4.4
195.13684	4.2
197.13251	3.5
205.12393	5.0
209.11716	5.7
219.83946	3.4
237.11276	8.8
241.14384	7.6
247.16943	4.4
255.69359	3.1
257.18967	8.6
275.17163	3.3
275.20035	100.0
278.62750	3.5
293.21121	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.08436	2.3
55.01843	6.8
55.05505	16.5
57.03415	6.2
57.07059	4.3
67.05505	27.0
69.03414	5.6
69.07066	58.5
69.27575	27.3
71.04968	3.6
73.93805	2.1
79.05484	30.2
80.80741	2.0
81.03432	11.2
81.07056	33.0
83.04974	7.9
83.08604	9.4
85.02870	5.1
85.06516	5.1
91.05476	28.6
93.07038	43.0
95.04960	44.5
95.08602	27.4
97.06512	11.0
97.10163	8.2
98.00176	2.5
102.96029	2.5
103.05441	4.1
105.07024	24.8
107.04938	11.0
107.08582	31.4
109.06526	11.8
109.10146	13.6
111.11652	2.5
117.06987	9.3
117.07748	2.2
119.08572	22.0
121.06495	8.4
121.10143	13.9
123.04417	4.0
123.08050	6.9
123.11649	2.9
125.09605	2.8
129.06946	6.2
131.04918	9.7
131.08539	14.9
133.10110	16.6
135.08041	17.0
135.11658	8.5
137.09633	4.3
139.11253	4.0
143.08548	5.9
144.09180	3.2
145.10139	10.4
147.11615	8.3
149.05954	4.1
149.09573	7.5
151.03767	3.5
151.11133	4.2
154.07791	2.7
157.10126	7.0
159.08018	4.5
159.11684	15.3
160.41165	2.4
161.09621	3.9
161.13278	5.9
163.03902	6.6
163.07487	6.6
163.11215	4.1
169.10136	3.7
171.11694	6.1
173.13216	4.7
175.11224	2.7
175.14777	3.6
177.05464	78.2
177.12770	6.2
178.06238	69.4
179.06636	3.6
183.11598	2.4
185.13283	4.1
187.11153	6.8
191.07021	21.2
191.10670	4.1
193.08571	4.8
203.12698	4.2
203.14429	4.8
205.12187	9.0
207.13779	6.9
215.10635	8.8
219.02911	4.4
219.13791	4.2
219.17371	8.0
221.15358	6.7
229.19469	2.8
233.11703	100.0
233.15233	3.8
234.12006	7.6
237.14891	22.5
247.20485	7.1
257.19019	11.4
275.16855	4.3
275.20023	61.5
276.20480	2.6
293.02951	8.9
293.15253	10.1
293.21045	61.4
308.69827	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	293.1533
Annotation	Elisabatin B
Peak:m/z	Relative Intensity
53.05456	1.5
67.05493	2.9
67.85160	1.5
69.03423	7.3
70.26805	2.8
70.27218	6.9
78.13983	1.5
78.70067	1.6
79.05480	2.2
81.07063	1.7
87.23655	1.4
91.05477	8.9
93.07009	3.0
95.04958	2.5
98.20779	1.7
105.06985	1.9
109.06498	4.5
115.05378	1.6
119.08559	8.7
142.07782	2.2
143.08524	3.2
147.08029	14.8
155.08450	2.1
159.08073	13.4
167.08563	2.6
168.47108	1.6
178.07771	3.0
179.08580	4.7
180.09265	2.1
183.08122	1.9
183.11664	1.8
185.09650	2.0
189.07133	1.8
191.08551	2.1
192.09265	4.8
193.10086	16.8
194.10884	2.4
195.11757	3.0
197.09589	9.2
199.11212	4.8
203.08551	3.3
206.10939	5.6
207.11650	9.5
208.08826	2.4
208.12556	8.7
209.09612	5.3
216.09277	2.2
217.10153	8.5
218.10922	4.7
219.11772	4.7
220.08725	3.0
221.09663	12.7
221.13248	3.0
222.10223	2.2
223.11182	5.9
223.14879	2.2
224.11748	2.2
231.11720	2.5
232.12494	7.2
233.09578	3.9
235.11182	16.2
236.11937	21.6
237.12836	2.0
237.16467	2.2
245.09653	5.1
246.10291	3.1
247.11224	2.5
247.14789	6.2
249.12764	6.3
250.13567	7.2
251.14304	4.5
257.13272	2.1
259.11172	2.7
260.11954	14.9
263.10620	2.5
263.14447	2.2
264.15106	4.4
265.12637	2.7
265.15808	18.3
275.14270	16.1
293.15359	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.063
Annotation	Unknow
Peak:m/z	Relative Intensity
61.30021	1.2
66.39285	1.2
69.31770	1.1
69.65391	9.7
75.75939	1.2
80.82550	1.5
93.11134	1.2
94.54988	1.3
119.01904	3.7
125.65574	1.3
137.03006	1.2
141.35907	1.3
143.01894	5.9
155.01855	1.6
161.02948	11.8
164.05276	1.3
173.02939	5.6
203.04042	5.7
238.39337	1.3
263.06186	1.8
293.06311	100.0
294.06808	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1533
Annotation	Elisabatin B
Peak:m/z	Relative Intensity
55.01869	2.0
64.74956	1.2
67.05497	3.5
69.03423	7.7
70.91983	3.2
77.08395	1.2
79.05480	3.4
81.07047	3.8
83.04998	1.3
91.05472	10.9
95.04953	2.4
95.08587	1.4
105.07028	3.2
107.08583	1.4
109.06507	3.6
117.06987	2.8
119.08571	11.5
119.27272	1.1
119.42208	1.4
126.20935	1.2
129.06992	2.5
138.59627	1.2
141.06914	1.5
142.07820	1.6
143.08588	3.1
147.08049	17.2
155.08546	3.3
157.10074	2.2
159.08038	13.6
165.06993	2.2
167.08511	1.3
168.09372	1.4
169.10202	2.9
171.08025	1.8
171.11722	1.3
178.07776	3.4
179.08485	6.6
180.09261	1.9
181.10066	3.4
183.08078	3.0
183.11671	1.3
185.09669	1.9
192.09401	5.7
193.10101	15.9
194.10892	2.4
195.08076	2.4
195.11678	3.7
196.08931	1.5
197.09612	7.3
199.11168	3.9
202.07770	2.9
203.08530	4.1
204.09395	1.7
205.10190	2.9
206.07637	1.3
206.10875	5.3
207.07903	1.3
207.11667	11.5
208.08762	2.1
208.12454	7.2
209.09624	5.0
209.13307	2.6
210.10359	1.8
211.11147	4.1
217.10141	7.9
218.10861	3.1
219.11676	4.2
220.08862	3.2
221.09615	17.6
221.13127	2.4
222.10371	4.1
222.13893	1.8
223.11183	8.0
223.14740	3.4
231.11818	2.7
232.08846	1.6
232.12477	7.2
233.09727	2.2
233.13284	3.4
234.10306	5.7
235.11177	18.4
236.11940	25.2
236.15633	1.9
237.12801	5.1
242.11256	1.4
245.09622	6.1
246.10358	2.2
247.11182	4.1
247.14807	7.4
249.12743	8.6
250.13478	9.4
251.10744	1.5
251.14285	5.0
259.11142	2.4
260.11984	14.6
263.10678	2.4
263.14249	3.6
264.11807	1.9
264.15030	5.1
265.12650	2.7
265.15826	19.6
273.12744	2.2
275.11560	2.4
275.14297	20.4
278.12961	3.4
293.15359	100.0
294.15643	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	291.268
Annotation	Arachidonyl alcohol
Peak:m/z	Relative Intensity
53.03935	2.1
53.85418	1.2
55.01864	2.7
55.05298	1.4
55.05513	15.9
56.96560	3.8
57.03418	1.5
57.07070	47.0
65.03928	3.3
67.05166	2.6
67.05499	30.6
68.99763	1.9
69.03424	3.6
69.07060	27.5
71.04977	5.2
71.08625	2.8
71.60513	3.1
79.05486	17.5
81.03423	2.3
81.07052	86.9
82.07375	2.7
83.04974	5.3
83.08607	16.6
85.02906	1.8
85.06538	33.7
91.05473	12.8
93.07038	44.2
93.07627	2.4
94.39472	1.4
95.04960	7.0
95.08601	68.0
96.08923	1.8
97.02905	1.8
97.06523	3.2
97.10179	5.2
98.97574	2.7
99.04450	1.7
99.08101	1.4
105.07024	26.7
107.04981	4.0
107.08587	38.2
108.08868	1.5
109.06519	4.4
109.10152	37.4
111.04423	2.4
111.08085	9.7
111.11711	4.5
117.07024	2.8
119.04950	8.6
119.08578	27.8
120.08963	1.5
121.10138	30.5
123.04418	64.9
123.05321	3.2
123.08032	8.6
123.11694	20.5
124.04768	2.4
125.09624	1.8
127.11172	9.5
129.07066	1.4
131.08534	6.6
133.06483	1.7
133.10098	11.3
135.04436	1.7
135.08104	2.6
135.11693	23.5
137.09612	2.7
137.13242	7.9
139.03893	100.0
139.11197	2.1
140.04259	3.2
143.04984	2.0
143.08536	2.6
145.10159	4.4
146.99637	2.0
147.04398	22.5
147.08035	2.3
147.11691	20.5
148.04785	1.7
149.13246	19.1
151.03911	1.8
151.07529	16.5
151.14836	4.0
152.07779	1.4
153.12750	3.6
156.09355	1.4
157.10091	3.8
159.11722	3.3
161.02925	2.1
161.05936	7.2
161.09702	2.8
161.13213	11.0
163.03880	1.9
163.14828	7.9
165.05490	12.4
165.06746	2.1
165.08984	1.4
165.12672	2.9
169.04965	2.3
171.11658	2.5
173.09659	1.5
173.13261	2.7
175.14828	4.1
177.00720	1.8
177.16405	5.1
179.07068	2.3
185.09677	1.6
185.13222	2.6
189.05540	2.2
189.12708	5.1
189.16385	4.9
191.14316	3.4
191.17915	17.0
197.11739	1.9
203.17963	4.1
207.06540	5.8
207.12019	1.3
207.13745	7.9
215.03305	1.6
215.14169	1.6
217.16106	1.6
217.19505	29.8
218.19965	1.3
221.13403	1.5
231.13699	3.1
233.15439	7.9
248.11894	1.8
255.17339	1.7
273.18610	4.9
273.25735	31.3
274.26077	2.1
285.09964	3.4
291.08475	9.4
291.13647	4.6
291.19489	13.7
291.23398	2.4
291.26785	28.8
292.19974	2.0
292.27151	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.268
Annotation	Arachidonyl alcohol
Peak:m/z	Relative Intensity
53.03938	1.4
55.01861	1.3
55.05508	4.2
57.07074	27.6
59.04976	0.6
60.40783	0.5
65.03942	0.5
67.05497	6.6
68.99783	0.6
69.03428	0.6
69.07053	3.5
69.08945	0.4
69.40687	3.9
71.04974	0.9
73.45174	0.5
79.05493	7.5
81.07053	100.0
82.07384	1.4
83.04964	1.0
83.08614	1.8
85.06540	22.3
90.40633	0.4
91.05474	1.8
93.03411	0.7
93.07047	4.9
93.47713	0.4
95.04974	2.1
95.08602	24.5
97.10173	1.9
98.98476	0.5
105.07028	2.9
107.04973	0.5
107.08573	4.3
109.06505	0.6
109.10149	10.0
111.04446	1.5
111.11687	0.9
115.05447	0.6
119.04936	2.8
119.08568	1.4
121.06484	0.5
121.10127	3.2
123.04426	32.0
123.11716	5.8
124.04804	1.3
127.03892	0.8
127.11196	1.8
131.04941	0.5
131.08521	0.4
133.06462	0.7
133.10136	1.1
135.04395	0.5
135.11716	4.0
137.13261	1.8
139.03897	50.6
139.11183	0.9
140.04274	1.7
143.04909	1.1
145.10178	0.4
147.04393	10.1
147.11717	1.2
149.13240	1.9
149.58397	0.5
151.03905	1.5
153.12772	0.7
153.25885	0.4
161.05991	3.3
161.13283	2.4
163.03908	0.8
163.14935	1.0
165.05472	7.7
175.14737	0.6
179.07069	1.6
189.05490	1.1
189.16412	1.5
191.17932	7.1
197.19055	0.5
207.06557	2.8
211.20605	0.5
217.19498	4.8
231.13583	0.5
249.07587	0.8
273.25790	4.2
275.55838	0.5
291.08640	4.1
291.13815	1.3
291.19717	2.3
291.26865	10.2
292.27356	0.6
295.09848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.268
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
52.86415	0.8
53.03933	1.8
55.05507	21.3
57.03426	1.3
57.07070	11.1
59.04983	1.0
65.03925	1.3
67.05497	30.2
69.03419	0.9
69.07062	42.5
69.96810	5.2
70.06561	1.4
71.04984	1.4
71.08626	4.6
73.69323	0.9
77.03948	0.8
79.05061	1.8
79.05489	25.7
81.07051	100.0
82.07379	1.7
83.08138	1.3
83.08614	13.7
85.06532	10.9
85.10173	2.3
89.96602	0.8
91.05473	13.7
93.07037	57.2
95.04968	3.5
95.08599	78.5
96.08958	0.9
97.06529	1.3
97.10154	10.8
98.97540	0.9
99.08077	3.7
105.07021	22.6
107.08587	54.7
108.08868	1.1
109.06506	2.5
109.10144	39.5
110.10448	1.4
111.08067	2.8
111.11721	6.5
113.09647	1.8
119.08572	17.5
119.09359	1.6
121.10133	44.3
122.10482	1.1
123.04421	7.1
123.08078	2.0
123.11694	24.2
125.09627	2.4
125.13193	1.2
127.11153	1.2
132.10223	2.0
133.10106	13.4
135.11681	33.4
136.26471	0.9
137.09590	1.5
137.13242	8.3
139.03900	10.8
139.11168	1.5
147.04373	2.1
147.11662	13.3
147.12769	1.2
149.13248	60.3
150.13556	1.5
151.11162	1.7
151.14792	3.0
161.13249	9.2
163.14804	25.5
163.16095	1.8
165.05434	1.8
165.12735	3.7
165.16348	1.8
175.14816	3.8
177.16388	9.9
179.14371	1.1
179.18008	1.4
181.15898	1.4
189.16357	4.9
191.17946	3.5
195.17484	1.5
203.17912	5.4
205.19554	1.1
217.19528	4.6
221.59276	0.9
231.21107	1.0
233.22751	1.4
235.20538	2.0
247.24258	1.8
273.25760	22.0
274.26028	1.1
291.08353	1.0
291.26859	78.2
292.27063	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	291.2679
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
52.85652	0.9
53.03940	1.6
55.01868	1.7
55.05511	5.0
56.96558	1.7
57.03418	1.0
57.07072	28.2
59.04978	1.0
65.03929	1.7
67.05499	10.0
68.99789	1.6
69.03399	0.9
69.07060	5.8
71.04982	1.4
71.13041	2.2
79.05485	8.6
81.07050	100.0
82.07377	1.6
83.04974	3.1
83.08607	2.6
85.06537	23.0
86.93514	0.8
87.43903	1.0
91.05451	4.6
93.07037	7.8
95.04954	3.4
95.08598	29.2
97.06492	1.0
97.10159	1.9
99.04421	1.7
105.03407	1.0
105.07029	5.4
105.29527	1.0
107.04974	1.1
107.08585	6.4
109.06515	1.3
109.10136	11.0
111.04457	2.7
111.08067	1.4
111.64277	0.9
117.06979	1.3
117.30013	0.9
119.04920	4.8
119.08569	3.6
121.06520	1.0
121.10132	6.7
123.04420	45.9
123.08040	1.4
123.11673	6.8
124.04764	1.8
127.03930	1.2
127.11170	2.5
129.07019	1.1
131.08487	1.8
133.10121	3.7
135.04422	1.3
135.08047	1.2
135.11710	4.7
137.05933	1.1
137.09596	1.1
137.13258	1.9
139.03891	70.3
139.11174	1.5
140.04236	3.2
143.08533	1.1
145.10107	1.9
146.74628	1.1
147.04405	19.4
147.11694	3.7
149.09608	1.1
149.13248	2.7
151.03900	2.1
151.07605	1.4
151.11179	0.9
151.14824	1.2
153.12648	1.2
157.10098	2.0
159.11649	3.1
161.05963	4.9
161.13229	3.2
161.59549	0.8
163.03905	1.2
163.11021	1.0
163.14850	1.1
165.05496	9.2
169.04990	1.4
173.13185	1.3
175.14919	1.4
179.07063	2.8
189.16385	1.0
191.17943	6.6
200.17825	0.9
203.17888	1.2
207.06473	5.1
215.17958	2.1
216.64273	1.3
217.19533	4.4
233.09485	1.0
242.58139	1.0
251.01262	0.9
255.21184	1.1
263.14325	1.3
273.18427	1.8
273.22153	3.4
273.25748	4.1
276.11462	1.0
291.08563	4.1
291.13687	2.0
291.19577	3.8
291.23422	1.7
291.26709	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	291.2678
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03926	1.8
55.05263	1.5
55.05508	19.2
57.03413	1.4
57.07069	9.5
65.03919	1.6
66.67567	1.0
67.05501	29.8
69.03404	1.4
69.07064	37.5
69.52879	2.2
69.53275	7.5
71.04964	1.1
71.08633	5.8
73.05316	0.9
79.05488	19.3
81.03397	1.0
81.07053	100.0
82.07372	1.7
83.08614	16.1
85.06543	6.3
85.10139	1.3
91.05476	11.9
93.07040	45.4
95.04954	4.2
95.08601	75.4
96.02974	0.9
96.08910	1.4
97.06494	2.0
97.10159	11.6
99.08097	4.7
105.07021	15.7
107.08590	43.4
109.06469	1.6
109.10148	41.2
111.04411	1.2
111.08070	2.7
111.11723	6.0
113.09615	1.2
119.04917	1.3
119.08562	12.9
121.10139	37.8
121.11021	2.2
123.04428	16.6
123.08043	2.7
123.11698	25.1
124.11960	1.0
125.09610	1.5
125.13236	1.5
127.11168	1.1
133.10123	8.9
134.45087	1.1
135.10675	1.6
135.11674	23.8
137.13240	7.4
139.03903	28.1
139.11145	1.4
143.04977	1.0
147.04433	5.6
147.11659	10.1
149.13258	39.1
149.14429	1.3
150.13528	1.5
151.03873	1.6
151.14793	2.6
161.05962	1.2
161.13255	6.5
163.14798	21.1
165.05489	4.9
165.12738	2.0
165.16447	1.7
175.14784	3.8
177.16348	7.0
181.15898	1.2
189.16383	3.1
191.17970	3.3
203.17868	3.5
207.06448	2.2
217.19551	5.1
235.20558	2.7
252.17807	1.0
273.25732	14.3
291.08597	2.4
291.26819	70.1
292.27219	4.5
308.53745	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.9
55.05500	3.4
56.96564	1.5
57.07072	25.4
67.05502	3.9
68.65249	1.0
68.99797	2.0
69.07061	3.4
71.08627	18.9
72.64638	0.9
73.06557	1.2
79.05489	2.4
81.07043	6.7
83.04967	2.9
83.08614	2.7
85.06553	2.7
85.10175	17.3
89.06025	56.4
91.05478	4.1
92.83904	1.2
93.07037	4.8
95.04962	4.1
95.08601	7.5
95.38847	1.3
97.02890	1.1
97.06551	1.3
98.98472	1.4
99.04453	1.6
99.11739	2.1
105.07007	4.3
107.04906	1.3
107.07052	4.4
107.08591	4.2
109.06490	2.1
109.10169	2.4
111.04453	4.0
112.41993	1.0
115.05431	1.3
119.04945	4.9
119.08588	3.5
121.10149	3.7
123.04421	60.6
124.04794	1.3
130.08653	3.2
131.08583	2.4
132.58873	1.2
133.06439	1.8
133.08598	10.9
133.10115	1.7
135.04381	1.5
135.08044	1.4
135.11684	2.4
137.06006	1.8
139.03889	100.0
140.04216	3.8
141.85405	1.1
143.04929	1.7
145.10149	1.4
147.04384	20.3
147.08073	1.2
147.11684	3.5
148.04762	1.2
151.03908	1.6
151.09627	18.1
161.05975	9.0
163.03876	1.1
163.14780	1.1
165.05469	12.6
171.11629	1.3
177.05423	2.0
179.07007	2.6
181.04970	1.3
189.05475	1.6
189.16254	1.3
207.06519	5.9
213.95299	1.2
217.19550	2.1
231.92751	1.1
263.14200	2.1
273.07498	1.4
273.18515	2.1
273.25772	1.8
291.08600	7.0
291.13699	4.1
291.19489	5.1
291.22531	1.2
291.26627	1.5
292.08954	1.2
292.14551	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2315
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03928	3.2
55.01863	2.2
55.05262	1.7
55.05507	20.1
57.07067	2.4
59.04965	1.0
59.11915	0.9
60.97588	1.0
65.03940	1.6
67.05499	38.3
69.06726	1.2
69.07065	18.7
69.59856	7.5
71.05000	1.5
71.11791	0.9
73.06525	1.2
79.05489	70.5
80.05791	1.3
81.07051	47.4
82.97004	0.9
83.04958	1.8
83.08622	8.2
85.06536	2.3
91.05476	24.8
93.07038	100.0
95.04960	9.0
95.08604	30.3
95.09126	0.6
95.09224	1.0
97.06520	2.6
97.10158	3.7
99.08083	1.3
105.04495	1.5
105.07027	18.8
107.08588	54.8
108.08928	1.3
109.06490	3.0
109.10142	15.6
111.08111	1.5
117.07024	2.2
119.04919	1.6
119.08575	14.2
121.06490	1.1
121.10134	46.6
123.04418	8.4
123.08069	3.0
123.11671	3.0
125.09605	1.9
129.06998	2.9
131.08560	7.5
133.10114	14.1
135.08020	2.1
135.11684	52.2
137.09630	1.8
139.03903	14.5
143.08524	2.5
145.10138	5.0
147.04425	2.8
147.11652	8.4
149.09601	4.9
149.13251	32.2
151.11206	1.2
157.10100	3.1
159.11687	3.8
161.13263	9.5
163.11153	3.4
163.14812	10.5
165.05475	1.1
171.11655	2.9
173.13263	2.2
175.11195	1.6
175.14824	5.9
177.12778	3.0
177.16357	1.4
179.07202	0.9
185.13234	4.9
189.12729	3.1
195.13788	1.1
199.14819	2.6
203.14284	1.9
209.15361	2.7
213.16359	2.7
215.18027	1.2
217.19528	2.3
221.15312	1.4
231.17455	2.3
231.20938	1.1
235.16910	2.9
241.19545	5.3
249.18472	1.8
259.20575	7.6
291.23169	71.1
292.23553	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03919	1.3
55.01867	1.7
55.05510	6.0
56.96550	1.6
57.07063	4.6
59.04989	2.2
65.03909	0.9
67.05497	6.4
69.03425	2.7
69.07059	3.9
70.99522	2.4
71.04972	2.1
73.04132	0.8
79.05501	5.4
81.03419	1.8
81.07055	12.4
82.94149	1.0
83.04974	3.5
83.08640	4.5
85.02894	1.4
85.06527	3.7
85.19994	0.8
91.05476	6.9
93.07033	12.0
95.04964	6.1
95.08602	19.1
97.06514	3.0
99.08089	0.9
105.07025	11.4
107.04948	4.1
107.08596	9.4
109.06519	6.1
109.10135	6.9
111.04465	2.1
111.08076	24.5
113.09650	1.6
117.07021	1.8
119.04932	2.1
119.08590	10.1
121.06533	2.4
121.10115	8.6
123.04421	27.2
123.07178	2.1
123.08063	30.1
123.11717	2.3
125.09627	1.2
130.07768	1.4
131.08565	5.5
133.06470	3.5
133.10112	6.9
135.08034	5.4
135.11696	5.3
137.09576	4.7
139.03894	46.5
140.04224	1.1
142.07861	1.0
143.04889	0.9
143.08527	2.3
144.09387	1.2
145.10114	14.7
146.99675	1.0
147.04407	10.3
147.08041	3.8
147.11659	7.9
149.09648	4.3
149.13292	2.2
151.07536	100.0
152.07907	1.6
153.09120	0.9
155.08592	1.7
155.10681	1.8
156.09334	1.7
157.10135	4.1
159.08084	1.6
159.11714	3.6
161.05980	4.0
161.09633	3.4
161.13278	2.3
163.03969	1.5
163.11165	3.8
165.05453	6.9
165.09019	1.0
171.11702	3.2
173.13260	5.9
175.11217	4.3
177.09103	2.1
177.12738	2.1
179.06979	2.0
179.10669	3.3
182.44551	0.9
185.13228	1.7
187.11172	3.0
187.14722	1.1
189.05522	1.9
189.12724	28.0
189.16432	1.1
191.14288	6.1
192.11447	4.0
197.11696	13.3
197.13228	1.7
203.14452	1.4
207.06538	2.1
207.13794	59.6
208.14191	1.4
213.16414	1.8
215.14270	5.0
217.12216	2.2
217.19530	0.9
231.17433	1.6
233.15359	17.9
234.15826	1.1
235.13287	1.7
255.17462	4.2
259.11682	1.0
273.07657	1.5
273.18472	9.3
273.25885	1.1
291.05539	0.9
291.08499	4.6
291.14020	2.1
291.19531	54.3
291.26825	4.1
292.19995	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03909	1.6
55.01878	2.3
55.05508	10.8
56.96559	1.6
57.03428	1.2
57.07079	5.2
59.04982	1.9
67.05494	9.8
68.99790	1.7
69.03406	3.4
69.07065	10.7
70.62217	2.0
70.62545	1.2
71.04976	4.0
71.08627	1.5
72.60744	1.2
79.05490	10.2
81.03400	2.5
81.07053	24.5
83.04979	4.9
83.08615	10.7
85.02879	2.4
85.06526	3.9
86.52579	1.1
91.05476	6.9
93.03394	1.1
93.07038	18.0
95.04960	8.8
95.08601	23.9
97.02925	1.1
97.06535	5.7
97.10171	2.9
98.21449	1.2
98.97571	2.7
98.98466	1.2
103.05470	1.0
105.07030	12.3
107.04945	11.9
107.08588	14.9
108.05706	1.0
109.02864	1.7
109.06509	6.0
109.10140	10.2
111.04436	3.7
111.08070	25.7
113.09653	2.0
116.98616	2.0
117.06973	3.1
119.04914	6.2
119.08572	11.5
121.06484	2.4
121.10129	10.1
123.04420	63.6
123.08048	25.9
123.11678	5.9
124.04694	1.3
125.09604	3.1
127.03909	2.5
129.07024	1.7
131.08597	5.8
133.06467	3.2
133.10147	8.7
134.99605	1.5
135.08046	6.9
135.11684	7.1
137.05992	1.5
137.09583	4.0
137.13283	2.0
139.03893	100.0
140.04231	2.8
143.04863	2.5
143.08524	2.0
145.10124	3.5
147.03241	1.2
147.04399	24.2
147.08012	2.2
147.11714	8.5
149.09633	6.1
149.13231	4.6
151.03947	2.4
151.07527	62.6
155.10628	3.3
157.10136	5.9
158.99599	1.2
159.04350	1.0
159.08047	1.3
159.11580	2.4
161.02930	2.0
161.05962	7.7
161.09584	3.0
161.13272	2.5
163.03854	1.6
163.11154	2.2
163.14812	2.8
165.05464	14.6
165.09125	1.1
171.11641	2.9
173.09543	1.8
173.13243	5.4
175.11148	3.8
175.14847	1.7
177.00676	1.2
177.05511	1.2
177.09061	2.4
177.16353	1.7
178.58658	1.0
179.07089	2.5
179.10649	3.1
181.12227	2.0
189.05466	1.8
189.12718	14.3
189.16367	1.4
191.14276	12.5
192.11472	2.5
197.11710	10.5
197.13260	1.8
203.17920	2.1
207.06596	6.9
207.13791	38.6
213.16367	2.0
215.14293	2.8
217.12247	3.5
217.19534	2.3
219.01630	1.1
231.06644	1.4
233.09482	1.1
233.15347	37.3
249.18466	1.9
255.17340	2.7
263.14145	1.7
273.18503	7.8
273.25757	4.8
291.05722	1.0
291.08597	7.2
291.13849	3.4
291.19510	51.1
291.26694	11.0
292.19638	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.086
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
55.01864	1.3
65.03918	1.0
67.05489	1.0
68.99773	1.6
69.33989	4.6
69.34676	0.5
79.12055	0.4
80.86728	0.4
83.04980	0.8
85.02893	0.9
91.05460	1.3
91.95110	0.5
93.03407	0.7
95.04967	2.4
98.21508	0.9
111.04434	2.0
115.05432	1.0
119.04933	5.7
123.04420	64.8
127.03902	1.6
133.06471	0.8
137.02336	0.7
139.03893	100.0
140.04222	1.0
143.04889	2.3
147.04404	22.2
151.03914	2.5
153.05467	0.6
161.05983	7.8
163.03888	1.8
165.05464	15.8
169.04996	1.0
177.05486	0.8
179.07045	3.4
181.04921	1.4
189.05502	2.3
207.06528	7.7
249.07535	0.9
273.07547	1.7
291.08597	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	291.0859
Annotation	(+)-Catechin hydrate
Peak:m/z	Relative Intensity
51.02375	0.4
53.03937	0.4
55.01877	1.9
55.05499	0.6
60.55733	0.4
62.88464	0.4
63.81742	0.3
64.28612	0.4
65.03941	1.1
67.05492	2.5
68.99774	2.0
69.07070	0.8
70.15180	1.6
79.05470	0.6
80.31643	0.3
81.03389	1.1
81.07048	3.1
83.04971	1.5
85.06541	0.4
91.05476	2.5
91.35564	0.4
93.03390	1.1
93.07053	1.4
94.39394	0.3
95.04946	3.3
95.08579	2.2
96.87882	0.3
97.02911	0.4
97.10139	0.4
98.22935	0.4
98.97552	0.4
105.07004	1.2
107.05016	0.5
107.08586	1.0
109.02887	0.4
109.06519	0.6
109.10163	1.2
111.04435	2.5
115.05453	0.8
119.04926	6.1
119.08582	0.5
121.10113	1.1
123.04416	62.1
123.11699	0.9
124.04726	0.9
127.03889	1.3
131.04889	0.6
131.08551	0.6
133.06490	1.1
133.10030	0.5
135.04372	0.8
135.11710	0.4
136.04753	0.6
137.02344	0.9
139.03888	100.0
140.04240	1.9
143.04880	2.8
147.04393	20.2
147.11688	0.7
148.04716	0.5
149.13264	1.1
151.03929	2.5
151.07494	0.5
153.05473	0.8
159.04420	0.5
161.05975	7.3
163.03952	1.9
163.14839	0.6
165.05463	15.7
165.06877	0.8
166.05788	0.5
169.04945	1.5
177.05470	0.8
179.07008	3.8
181.04971	0.9
181.64223	0.4
189.05411	2.1
199.11238	0.5
207.06503	5.4
249.07533	1.6
251.66006	0.4
261.06607	0.4
273.07547	2.2
291.05243	0.5
291.08582	9.2
291.20123	1.2
291.26804	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
51.23153	0.2
53.03925	0.4
55.01861	1.3
55.05507	5.2
57.03419	0.6
59.04977	0.2
60.85450	0.2
62.15278	0.2
65.03939	0.5
67.05164	0.3
67.05499	3.8
67.99295	0.2
69.03432	1.0
69.07063	2.8
69.84435	1.2
71.04984	0.5
79.05055	0.3
79.05489	5.0
80.06271	0.2
81.03395	0.7
81.07050	4.8
83.04999	0.9
83.08614	2.9
85.02866	0.2
85.06527	0.3
91.05472	4.3
93.07038	4.7
94.04217	0.3
95.04965	2.4
95.08594	1.8
97.06498	0.6
97.10157	2.3
105.03373	0.3
105.07021	4.5
107.04955	2.1
107.08591	2.7
108.05711	0.3
109.06484	0.7
109.10130	0.8
111.08044	0.4
112.26316	0.2
115.05424	0.3
116.06229	0.3
117.07009	1.6
119.04932	1.1
119.08578	3.4
120.05753	0.3
121.06499	1.5
121.10133	1.3
123.04420	3.1
123.08077	1.4
123.38055	0.2
125.09591	0.9
128.06241	0.4
129.06982	1.2
130.07748	0.5
131.04945	0.2
131.08575	2.7
133.06499	2.5
133.10103	0.9
134.07268	0.7
135.08047	0.9
135.11678	0.6
137.09602	0.5
139.03880	4.3
143.08537	0.8
145.06487	0.4
145.10109	1.5
147.04391	0.9
147.08044	2.5
147.11655	0.4
149.09625	0.9
149.13254	0.2
157.10149	0.9
159.08093	0.4
159.11703	0.6
161.06000	0.5
161.09618	0.8
162.10342	1.1
163.11191	0.7
165.05467	0.6
165.09128	0.4
171.11731	0.4
175.11180	0.6
177.12665	0.2
189.11194	0.3
193.12250	0.3
207.06535	0.3
223.13251	1.0
225.85561	0.2
231.13879	0.2
245.19087	0.2
249.14990	1.6
255.17192	0.3
261.14786	0.4
262.15640	0.3
263.16577	0.2
263.19736	0.2
273.18478	2.7
291.19519	100.0
292.19876	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52953	0.4
52.79955	0.4
55.01870	1.2
55.03364	0.3
59.07389	0.4
63.29297	0.5
65.03925	0.7
67.01885	0.5
67.05489	1.3
68.55655	0.4
68.99783	1.2
70.24492	1.0
83.04967	1.5
85.02881	0.6
91.05475	1.4
93.03386	1.1
95.04948	2.5
97.02900	0.7
105.03436	0.6
105.07007	0.4
107.17080	0.4
111.04433	3.3
115.05457	1.0
119.04929	5.0
123.04418	65.6
124.04716	0.6
127.03887	1.1
133.06512	1.0
137.02347	1.3
137.05986	0.6
139.03891	100.0
140.04239	0.7
143.04918	2.6
147.04398	19.9
151.03894	2.9
153.05444	0.7
161.05966	6.5
163.03917	1.9
165.05463	16.5
168.47589	0.4
169.03683	0.4
169.04973	1.7
176.46313	0.4
177.05464	0.7
179.07005	2.6
181.04947	0.9
189.05534	1.7
195.24808	0.4
198.52264	0.4
205.08656	0.5
207.06523	6.1
249.07536	1.6
253.49783	0.5
272.82861	0.4
273.07510	1.8
283.17999	0.4
291.08578	8.4
292.09079	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.086
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.02382	0.3
55.01864	1.6
57.56062	0.3
65.03931	0.6
67.05488	1.3
68.99784	1.3
70.01476	0.8
70.01884	1.1
73.30839	0.3
83.04985	0.9
83.14584	0.3
85.02873	0.5
91.05457	1.2
93.03381	0.8
95.04973	2.8
97.02871	0.5
98.20838	0.7
105.03358	0.4
107.04947	0.5
111.04444	2.7
115.05457	1.0
119.04939	5.3
123.04417	65.0
124.04764	0.8
127.03925	1.0
131.04878	0.7
133.06519	0.7
135.04384	0.7
137.02341	0.9
137.06004	0.9
139.03889	100.0
140.04236	0.9
143.04887	2.2
147.04398	20.0
149.05923	0.4
151.03909	2.6
151.07536	0.5
153.05464	0.9
159.04414	0.7
161.05963	8.7
161.07239	0.6
163.03874	1.6
165.05461	16.1
168.76874	0.3
169.04994	1.3
177.05493	0.9
179.07048	3.2
181.04953	0.8
189.05478	2.0
207.00966	0.3
207.06514	7.6
249.07597	1.2
273.07553	1.9
291.08627	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	291.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73258	1.1
56.96563	84.0
69.50339	7.5
71.95212	1.0
74.97577	0.9
84.96035	4.8
86.56965	0.9
87.91911	1.1
98.20649	2.0
98.97580	41.5
111.05537	1.4
112.99099	1.9
116.98618	36.7
119.01866	4.1
121.01698	1.0
123.01140	1.8
124.98274	1.6
124.99111	15.3
127.00658	2.5
128.98584	1.6
131.00119	4.0
134.99652	22.8
139.00644	1.4
140.00090	1.8
140.98502	1.1
141.02190	3.2
143.00159	56.5
145.01653	4.2
145.03409	1.9
149.01167	3.1
151.00566	1.7
152.98512	5.3
153.00626	3.9
157.01639	2.6
157.03401	1.5
158.99632	1.2
159.03304	7.9
159.10608	1.0
161.01215	74.2
161.02740	3.2
162.01357	1.0
166.01682	1.4
167.00243	2.3
169.01711	7.6
169.02950	1.2
170.99654	29.0
173.01135	1.0
173.51855	1.1
174.99165	1.7
175.02750	1.3
175.04454	1.6
177.00737	1.8
177.04327	2.3
179.02248	10.8
184.02763	3.0
184.99707	1.7
185.01239	29.0
185.02844	2.6
186.99094	3.1
187.02800	12.7
189.00711	63.8
194.99580	2.4
201.00629	2.3
203.02277	34.7
203.04004	1.4
205.00166	9.0
205.03752	1.9
207.01729	13.2
211.17038	1.0
212.02194	1.6
213.00699	19.8
215.03848	1.5
218.04414	1.2
221.03336	8.3
221.05174	1.5
223.01146	1.5
226.03604	2.8
229.00195	1.7
229.03761	2.2
231.01743	43.7
232.04120	1.1
239.05978	3.0
245.03252	3.9
247.01199	3.9
249.02805	51.6
254.03233	2.3
263.04236	6.3
265.02124	1.6
267.03867	30.0
272.04190	2.1
273.02768	10.3
282.04224	1.7
285.04935	20.1
290.05243	1.4
291.03745	58.0
309.04901	100.0
310.05081	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2524
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03959	1.2
55.05505	7.1
56.91233	0.9
57.07071	100.0
59.04991	1.3
59.96664	0.9
65.03946	1.5
67.05495	6.8
69.07060	8.8
70.85867	1.3
70.86219	2.1
71.04961	1.0
77.03901	1.2
79.05487	5.1
81.06577	1.8
81.07049	30.6
83.08617	4.8
85.06535	91.9
86.06871	1.1
91.05473	9.4
93.07035	29.8
95.04954	2.4
95.08599	34.6
97.06548	1.0
97.10158	3.9
99.08071	4.9
105.07024	28.9
107.04931	1.0
107.07856	2.1
107.08587	43.8
109.06488	2.4
109.10149	11.9
111.04449	5.6
117.06999	2.7
119.08568	46.6
121.06479	1.1
121.10129	16.4
123.04408	8.9
123.11691	5.2
127.03902	4.5
127.11156	3.0
131.08551	4.4
133.10126	21.8
135.04408	13.0
135.08075	1.2
135.11694	4.8
137.13237	3.2
139.03885	7.3
141.12733	2.1
144.09375	1.3
145.10103	13.3
147.11678	12.9
149.02324	1.3
149.13252	18.3
151.03949	2.0
151.11168	3.8
155.14284	8.2
159.11681	21.4
160.12289	1.1
161.13252	4.1
163.03918	2.7
163.14825	2.6
173.13239	3.4
175.14828	2.4
187.14806	3.0
189.16362	73.4
190.16727	1.8
197.19019	8.0
203.17894	1.9
215.17934	9.3
225.03293	1.0
259.06021	1.8
261.22156	2.6
271.24176	15.4
289.06979	2.9
289.17993	1.9
289.21942	2.1
289.25229	36.7
290.25641	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2524
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03927	1.5
55.01855	1.5
55.05503	14.2
56.96558	1.9
57.03412	1.4
57.07074	14.0
60.96133	1.2
62.34288	1.2
64.48144	1.1
65.03924	3.8
67.05498	15.4
67.73590	1.5
68.99768	1.6
69.03421	3.4
69.07063	36.7
71.04964	1.8
71.08612	5.7
73.90456	1.1
79.05482	12.3
81.03410	1.9
81.06577	2.8
81.07051	48.6
83.04944	1.9
83.08614	15.5
85.06510	1.7
85.10157	2.8
89.03873	1.2
91.05464	13.2
93.03378	2.4
93.07043	26.1
95.04959	4.2
95.08601	50.3
95.20753	1.4
97.06490	6.7
97.10162	5.3
102.49744	1.2
103.09569	1.4
105.07016	25.4
107.04967	6.3
107.08586	34.9
109.06516	33.6
109.10145	30.8
111.04443	13.1
111.08064	14.1
111.11688	4.3
114.92509	1.2
115.05386	1.9
117.07011	6.7
119.08566	26.5
121.06493	42.8
121.07372	2.6
121.10134	24.0
121.11012	1.3
123.04421	21.1
123.08033	9.4
123.11694	23.6
125.13295	1.5
127.03910	13.4
131.04962	1.7
131.08574	9.4
133.10124	14.0
135.04408	42.4
135.08043	67.3
135.11676	12.5
137.02243	1.4
137.09589	3.4
137.13243	5.1
139.03896	20.0
145.10117	17.3
147.11685	10.3
149.02332	5.4
149.09598	6.4
149.13252	6.7
151.03893	10.9
151.11182	1.5
151.14775	2.5
152.04411	1.5
153.12755	3.9
159.04382	1.4
159.11682	14.3
161.13232	9.7
163.03874	6.2
163.11185	13.5
163.14812	5.8
165.12682	1.5
173.13206	7.5
175.14780	6.3
177.12755	5.6
177.16368	4.0
179.03404	1.5
179.14365	2.4
179.17897	9.5
181.15819	2.1
185.13100	1.4
187.14792	4.4
187.55016	1.7
189.16336	6.3
189.61365	1.3
191.14349	3.1
191.17932	2.9
198.96407	1.2
201.16347	6.9
205.15854	2.9
205.19539	1.9
207.17245	1.5
215.06955	2.1
215.17935	18.1
217.19502	5.2
219.17447	2.1
229.19528	1.3
231.06532	3.5
231.21144	2.6
233.18971	3.0
259.06006	5.1
261.07510	4.8
267.09122	2.5
269.17899	1.4
271.06049	3.4
271.24185	41.7
272.24786	1.4
285.10086	5.1
289.07077	4.7
289.22086	3.5
289.25241	100.0
290.25626	4.2
308.11798	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2524
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03949	1.2
55.05508	13.1
57.07072	2.1
59.05021	0.7
60.06274	0.5
65.03915	0.8
67.05505	6.8
68.99763	0.5
69.03426	0.8
69.07059	6.5
70.24596	1.7
78.59863	0.5
79.05479	7.8
81.07051	75.2
82.07385	0.6
82.39465	0.4
83.04974	100.0
83.08608	2.3
84.05273	0.6
85.06544	1.6
91.05482	2.0
93.07041	7.6
93.07613	0.7
95.04971	0.7
95.08599	30.7
97.10174	2.7
105.07036	3.3
107.08580	7.6
109.06504	1.0
109.10155	10.5
111.04431	3.3
111.08073	0.6
111.11699	2.5
119.08582	5.0
121.02923	0.6
121.06458	0.6
121.10130	9.0
123.04417	4.8
123.08033	0.7
123.11703	4.9
125.09599	2.2
127.03910	3.8
131.08511	0.9
133.10098	2.1
135.04407	9.0
135.07990	1.5
135.11685	6.4
137.13206	2.2
139.03888	4.4
139.11215	2.7
145.10065	1.8
147.11639	2.0
149.02269	1.1
149.13258	2.8
151.03860	1.9
153.12675	2.1
159.07959	0.5
159.11690	2.9
161.13214	1.9
163.03854	1.4
163.14799	0.7
167.14218	0.5
173.13237	2.6
175.14726	1.7
177.16344	4.0
187.14757	1.0
189.16370	7.3
191.17941	9.7
193.15848	0.6
194.73691	0.5
195.17325	0.7
201.16266	0.8
205.15462	0.5
209.18997	2.8
215.17932	3.6
229.19394	0.8
231.20917	1.5
233.18871	1.1
259.05875	1.2
261.07391	0.7
271.05984	0.8
271.16656	0.8
271.24176	6.4
289.06656	1.6
289.17984	0.6
289.22067	1.1
289.25235	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	289.2523
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
51.32969	0.7
53.03953	1.6
55.05258	1.2
55.05509	13.7
57.07065	3.1
59.04979	1.1
65.03935	2.6
67.05496	8.9
69.07066	6.7
71.04965	1.1
71.59843	1.5
77.03960	0.8
79.05489	7.1
81.07053	76.6
83.04977	100.0
83.08622	2.2
85.02900	1.0
85.06554	1.6
91.05480	3.6
92.32496	0.7
93.03394	2.2
93.07042	7.5
95.04965	2.2
95.08601	34.0
97.10166	2.9
105.07033	6.7
107.04951	2.2
107.08596	7.9
109.10142	11.7
111.04437	14.8
111.11729	3.1
111.74123	0.8
119.08580	5.1
121.10129	8.9
123.04420	21.2
123.08089	1.2
123.11697	4.5
125.09639	2.4
127.03906	12.6
128.04294	1.0
131.04945	1.4
131.08588	1.5
133.10124	5.7
133.47125	0.8
135.04408	39.0
135.07950	0.8
135.11684	6.3
136.04762	2.2
137.02298	1.3
137.13298	1.9
139.03899	21.1
139.11165	2.5
140.04228	0.8
145.10123	2.3
147.08104	1.0
147.11690	2.3
149.02333	4.4
149.05984	0.9
149.13232	2.7
151.03896	9.6
153.01865	1.7
153.12749	2.1
154.07875	0.8
155.08478	0.9
159.11691	3.4
161.13272	2.6
163.03896	7.5
173.13287	2.2
175.14813	1.7
177.16400	3.6
179.03473	1.4
187.14812	1.2
189.16371	7.4
191.17915	9.7
197.06067	1.1
209.19026	2.7
213.05435	1.1
215.07016	0.9
215.17987	2.4
219.06401	0.9
229.19505	1.4
231.06540	3.3
231.21109	1.6
233.19006	1.6
254.95078	0.8
259.06027	4.6
261.07611	3.9
271.05978	3.1
271.21579	0.7
271.24216	5.0
289.07077	7.5
289.18423	1.5
289.21625	6.4
289.25262	11.6
289.29239	6.3
289.32092	1.1
308.09879	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2524
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03940	1.0
55.05510	13.5
57.07069	11.2
62.53512	1.0
64.40545	1.0
65.03935	3.0
67.05502	13.5
69.03428	5.1
69.07064	33.2
71.04975	1.2
71.08624	7.3
77.03880	1.4
77.39504	1.2
79.05497	9.8
81.07052	49.3
83.04964	3.8
83.08602	12.5
85.02909	1.5
85.06529	2.8
85.10153	3.5
89.03915	1.1
91.05472	11.0
92.13257	0.9
92.75270	1.0
93.03410	1.2
93.07037	23.8
95.04957	2.4
95.08600	47.7
97.06536	3.1
97.10173	7.7
98.97562	1.2
103.05403	1.4
105.07015	21.1
107.04910	4.0
107.08587	33.0
109.06508	33.2
109.09458	1.9
109.10150	28.5
109.10898	1.4
111.04427	10.4
111.08070	14.3
111.11727	4.3
111.96351	1.0
115.05399	1.2
117.06984	5.3
119.08572	26.2
120.08909	1.1
121.02959	1.0
121.06498	40.6
121.10128	22.0
123.04420	14.2
123.08045	7.7
123.11704	19.4
125.09594	2.1
127.03921	9.7
131.08601	6.9
133.10112	14.6
135.04416	28.9
135.08047	65.2
135.11670	11.6
137.09641	1.5
137.13235	4.2
139.03886	13.0
145.10109	17.7
147.11679	9.7
149.02295	1.9
149.06001	1.6
149.09636	5.1
149.13235	7.9
151.03929	6.5
151.11111	1.8
151.14804	1.6
153.12671	2.2
159.11702	15.0
161.13239	9.7
163.03893	4.7
163.11195	13.2
163.14799	5.1
165.12721	1.5
165.16331	1.7
169.01334	1.1
173.13210	6.5
175.14844	7.2
177.12781	6.5
177.16365	3.6
179.17937	8.8
181.15817	1.9
187.14830	3.8
189.16377	5.5
191.14279	3.4
191.17972	3.3
191.84961	1.1
201.16321	5.5
203.17879	1.0
205.15887	2.6
205.19601	1.6
215.17943	16.2
217.19479	4.9
219.17418	1.7
229.19337	1.9
231.06482	2.7
231.21086	2.3
233.18878	2.6
245.22594	1.3
259.06012	2.9
261.07547	1.2
261.25815	1.5
271.05981	1.8
271.24197	39.0
277.77573	1.2
286.63770	1.1
289.07047	3.4
289.25229	100.0
290.25516	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	289.2521
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
50.59054	1.1
53.03951	1.4
55.05513	9.6
57.07073	100.0
64.79768	0.9
64.92212	1.0
67.05503	4.8
68.17238	0.8
69.07056	7.2
70.96416	0.8
71.04860	2.3
79.05490	7.0
81.06575	1.6
81.07055	32.4
83.08607	3.3
83.76643	1.0
85.06538	87.9
86.17707	1.0
91.05488	8.4
93.07034	25.4
95.04951	1.7
95.08603	31.3
97.10169	3.2
99.08105	5.4
105.07021	27.2
107.08591	40.2
109.06510	1.7
109.10167	13.7
111.04455	2.4
117.07013	1.8
119.08575	44.6
121.10181	12.2
123.04427	3.7
123.11713	4.5
127.03912	3.0
127.11257	1.2
131.08562	5.4
133.10126	22.3
133.11081	1.6
135.04323	5.1
135.11676	6.0
137.13246	2.7
139.03911	1.3
141.12762	2.3
144.09274	1.3
145.10115	10.1
147.11687	12.5
149.13252	15.8
151.11183	3.9
155.14307	8.8
159.11696	19.7
161.13239	5.7
163.03867	1.0
163.14864	1.8
173.13307	3.1
175.14806	1.9
187.14922	2.8
189.16374	65.1
194.06830	0.9
197.18987	7.2
201.16385	1.6
215.17963	7.2
231.21097	1.3
243.21194	1.2
261.22198	1.4
271.24188	16.7
289.22037	1.4
289.25293	32.1
289.28555	5.0
290.25342	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0916
Annotation	Dianthoside
Peak:m/z	Relative Intensity
50.01396	0.2
53.03944	0.4
55.01857	0.4
57.03410	0.4
61.02914	0.8
65.03930	0.5
67.05490	0.3
68.99783	0.3
69.03429	1.7
71.04978	0.2
71.16163	0.5
78.16505	0.2
81.03403	1.0
83.05005	0.3
85.02903	4.7
90.11733	0.2
91.03942	0.5
93.03394	0.3
95.04988	0.4
97.02880	1.9
107.04945	0.5
107.18225	0.2
109.02878	1.0
111.04436	2.9
117.03389	0.2
123.04424	4.6
127.03906	100.0
128.04248	1.8
131.04898	0.4
135.04407	8.3
135.05417	0.5
136.04729	0.3
137.02274	0.4
137.76730	0.2
139.03894	5.7
145.04955	0.9
149.02348	0.7
151.03873	1.9
153.01755	0.5
157.06448	0.3
163.03909	1.5
177.05495	0.3
189.17981	0.2
197.05963	0.3
201.05394	0.3
205.05055	0.2
217.38098	0.2
225.05792	0.2
231.06516	0.7
243.06534	0.4
259.05975	1.1
261.07605	0.6
268.06326	0.2
271.06198	1.2
289.06796	1.4
289.12369	2.5
299.33630	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0704
Annotation	Isookanin
Peak:m/z	Relative Intensity
53.03906	0.7
53.74881	0.8
65.03932	7.1
67.05486	1.7
68.99783	1.7
70.41725	2.6
75.11924	0.7
79.05486	1.6
81.03415	1.3
83.60275	0.8
87.44484	0.7
89.03905	2.7
93.03400	5.7
95.04940	2.8
97.02839	0.7
103.05469	1.2
103.87404	0.8
105.06999	0.7
107.04960	6.1
109.02876	0.8
111.00790	1.1
111.04435	33.3
117.03370	2.7
119.04834	0.7
121.02839	1.7
123.04420	70.1
127.03909	9.8
131.04927	3.1
135.04405	100.0
136.04678	0.8
137.02368	3.8
137.03246	0.8
139.03891	52.7
141.06940	1.2
145.06551	1.1
149.02335	8.9
149.05943	1.8
151.03888	23.0
153.01797	1.4
157.06534	0.8
159.04465	0.9
163.03888	18.5
167.03362	1.7
168.01068	0.7
169.06435	1.1
173.06039	0.9
177.05493	2.0
179.03409	3.0
185.05945	1.9
187.03893	0.9
197.05948	2.0
203.06973	1.1
213.05441	2.5
215.06993	2.0
225.05450	1.5
229.04933	1.1
231.06471	7.2
241.05003	2.1
243.06569	1.9
253.04903	0.8
259.05984	12.5
261.07568	10.0
271.05966	8.1
289.07050	14.4
309.93179	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0703
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
50.56704	0.8
51.02381	0.9
55.01856	1.0
65.03929	7.2
67.05483	2.8
68.64864	0.7
68.99780	2.7
69.03397	0.7
69.07059	0.9
70.79596	2.5
79.05476	3.1
81.03410	1.6
81.07047	2.4
89.03909	3.0
91.05482	0.9
93.03393	6.8
93.07009	2.1
95.04977	4.0
95.08582	1.7
97.02895	0.7
97.04903	0.6
100.64151	0.6
105.03436	0.9
105.07013	1.7
107.04916	4.1
107.08615	1.4
109.02869	0.7
109.10128	1.3
111.04433	33.8
111.05203	1.8
117.03397	3.3
119.08569	0.9
121.02876	1.5
121.10193	1.0
123.04416	55.4
127.03905	12.7
129.11702	0.7
131.04883	3.1
135.04399	100.0
135.11655	0.8
137.02327	3.3
139.03888	58.0
145.10101	1.2
149.02315	11.6
149.05959	2.5
149.13293	0.9
151.03885	26.4
159.04385	2.2
159.07924	1.2
163.02531	1.3
163.03889	20.7
173.05994	2.0
177.05495	2.5
179.03392	2.8
183.04489	0.9
185.05981	1.8
197.06001	1.7
201.05441	1.4
205.04970	1.1
213.05476	1.8
215.07106	1.8
225.05455	1.4
229.04961	1.2
231.06526	6.9
241.04915	1.6
243.06435	2.4
259.05978	11.1
261.07574	10.1
261.10120	1.3
271.05994	7.9
284.32318	0.7
289.07056	13.5
289.14951	0.8
289.18063	1.2
289.25293	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	289.0705
Annotation	Isookanin
Peak:m/z	Relative Intensity
55.01878	1.5
55.67028	1.1
59.78869	0.9
63.02032	1.1
65.03943	5.7
67.01844	3.4
67.05482	0.9
68.99766	2.9
69.03432	1.2
74.69048	1.1
74.73061	0.9
76.03127	1.0
81.31319	0.9
82.26730	0.8
84.94986	0.8
88.21026	1.1
89.03910	4.2
93.03409	6.7
95.04950	3.0
97.73947	1.0
107.04957	7.0
111.00778	3.0
111.04440	32.8
117.03355	4.3
121.02884	1.4
123.04424	51.2
127.03897	8.0
131.04906	2.8
135.04410	100.0
137.02330	3.5
139.03891	47.9
145.02797	5.6
149.02364	12.1
149.05914	1.6
150.03130	1.7
151.03908	23.4
153.01822	49.0
159.04422	2.8
163.03897	41.6
167.03415	1.1
171.02885	11.6
173.06023	1.4
175.36084	1.1
177.05391	1.1
179.03387	4.9
185.06026	1.1
197.05914	2.2
203.07095	1.3
213.05455	2.4
215.06915	2.7
218.11478	1.2
229.05083	1.2
231.06508	8.6
241.04965	2.6
243.06525	3.3
259.05972	13.7
261.07532	10.0
271.06042	8.8
289.07047	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0703
Annotation	Isookanin
Peak:m/z	Relative Intensity
50.95511	0.7
55.01852	0.7
57.34817	0.7
62.91291	0.7
65.03938	7.9
67.05487	2.1
68.99783	2.6
70.77015	1.8
70.77402	1.4
79.05465	1.6
81.03407	1.0
83.04985	1.0
84.31934	0.7
89.03901	3.3
93.03394	8.3
95.04951	3.2
107.04938	6.0
109.02833	1.2
111.04429	33.7
117.03371	3.3
121.02863	2.2
123.04417	58.0
127.03921	11.1
129.06985	0.7
131.04916	3.2
135.04399	100.0
136.04735	1.5
137.02344	3.5
139.03888	55.5
141.06943	1.2
144.06125	0.7
145.18114	0.7
149.02328	11.6
149.05936	2.3
150.03076	1.3
151.03882	24.1
152.04657	0.7
155.04897	1.0
157.06435	1.5
159.04449	1.1
161.42851	0.8
163.03891	18.2
167.03395	0.9
169.06564	1.2
173.05974	1.2
177.05464	2.3
179.03384	3.3
185.05975	2.2
197.05977	2.3
201.05403	1.6
213.05400	3.7
215.07033	1.1
225.05446	1.8
231.06506	8.6
241.04924	3.2
243.06493	3.0
259.05991	15.4
261.07581	9.7
271.05984	8.0
289.07053	11.0
289.11935	0.9
312.88715	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0703
Annotation	Isookanin
Peak:m/z	Relative Intensity
50.04081	0.8
51.26272	0.9
62.38447	0.8
65.03938	7.5
67.05500	1.7
68.99783	3.9
71.06348	2.2
89.03923	2.3
91.05488	1.3
93.03383	6.8
95.04951	4.9
103.05481	1.0
107.04942	15.1
110.25468	1.1
111.03693	2.2
111.04432	31.6
117.03390	2.5
121.02847	4.0
122.15868	1.0
123.04418	63.7
127.03899	13.6
131.04921	3.2
135.04405	100.0
137.02332	2.4
139.03888	52.2
141.07048	1.8
143.05008	1.0
147.04407	1.6
149.02322	26.4
149.05974	2.4
151.03896	22.6
153.01819	16.0
157.06508	2.4
159.04454	1.5
161.05951	1.4
163.03888	24.7
167.03465	1.8
169.06474	2.2
173.05954	1.8
177.05513	1.2
179.03407	3.6
185.06017	1.9
195.03050	1.1
197.05988	4.5
201.05464	2.2
205.05066	1.3
213.05490	2.6
215.07011	14.3
225.05519	1.6
229.04964	1.8
231.06441	6.6
241.04930	1.8
243.06522	21.4
253.07677	1.1
259.05978	9.2
261.07602	10.2
271.06012	14.9
289.07068	19.4
289.14813	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0704
Annotation	Isookanin
Peak:m/z	Relative Intensity
52.01965	0.7
53.03934	0.7
53.78334	0.6
55.01860	1.3
65.03945	7.3
67.05505	1.3
68.99783	2.7
69.03413	0.9
69.25526	0.6
69.79001	3.5
78.88000	0.7
79.05481	1.2
81.85627	0.5
83.04972	0.7
85.02928	0.6
89.03904	3.1
89.10629	0.6
93.03403	6.6
95.04947	3.6
103.05511	1.0
107.04953	18.7
109.02866	1.0
111.00797	0.9
111.04433	31.2
112.84629	0.6
116.12206	0.7
117.03387	2.2
121.02870	3.7
123.04421	50.0
127.03908	10.3
131.04924	2.9
135.04407	100.0
136.04704	0.7
137.02345	2.8
139.03896	45.5
145.06415	0.8
147.04372	0.9
149.02330	27.2
149.05940	2.0
151.03886	23.6
152.04616	0.8
153.01808	20.6
157.06552	1.0
159.04414	1.5
163.03902	18.7
167.03423	2.3
169.06520	2.4
173.05963	1.5
175.07594	0.7
177.05536	1.7
179.03397	2.9
185.05954	1.1
187.03804	0.7
195.02896	2.2
195.52530	0.6
197.05928	3.1
201.05547	1.4
203.07091	1.0
213.05458	2.7
215.07021	14.4
225.05493	1.6
229.04913	0.9
231.06467	7.8
241.04961	2.4
243.06512	15.8
259.06000	12.1
261.07593	8.8
271.06006	11.5
289.07040	15.6
289.10052	0.5
289.15189	1.1
289.18188	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0701
Annotation	3,4-Dihydroxyphenyl caffeate
Peak:m/z	Relative Intensity
53.03938	1.0
55.01856	3.0
57.03416	3.4
59.82105	0.8
61.02913	2.6
64.55363	0.9
65.03931	6.5
67.05513	1.9
68.99764	2.7
69.03414	6.2
70.06573	1.3
70.17863	2.8
73.02903	4.1
79.05459	1.1
79.66103	0.8
81.03401	4.0
81.04536	6.2
85.02897	14.5
85.82053	0.8
86.45943	0.9
89.03897	2.5
93.03410	7.0
94.55923	0.8
95.04948	4.0
97.02872	6.1
98.97560	2.0
99.04414	2.7
101.00813	1.0
105.03386	1.4
107.04950	6.7
109.02879	3.1
111.00850	1.1
111.03699	1.9
111.04437	31.1
116.98624	0.8
117.03355	2.9
119.01908	5.6
120.69804	0.9
121.02757	1.1
123.04420	49.7
127.03893	57.6
127.04993	15.0
127.05893	1.3
127.08661	1.3
128.98546	1.2
131.04892	3.3
133.03424	2.2
135.04405	100.0
137.02309	3.2
139.03893	55.5
143.01884	2.1
145.03479	0.9
145.04936	2.7
149.02324	8.7
149.05942	2.5
150.03181	1.0
151.03882	23.2
153.01819	1.6
159.04410	2.0
161.02965	5.5
161.05988	1.1
162.03073	2.2
163.02585	1.5
163.03902	20.1
168.31380	0.9
169.06476	1.7
173.02924	2.9
173.05965	2.0
174.03195	1.1
177.00807	0.9
177.05467	1.5
179.03381	3.3
183.05028	2.7
183.55205	0.9
185.02852	1.6
185.05939	1.3
186.04651	1.1
187.00909	1.1
187.03946	1.4
189.02448	1.0
189.55173	1.3
191.03934	1.6
192.55717	1.0
197.06009	3.1
198.55542	2.7
199.06277	2.7
200.04462	2.1
201.05418	1.9
207.55321	0.9
213.05440	2.5
215.00397	1.0
215.06923	1.7
217.01923	0.9
225.05359	1.1
229.05025	1.4
231.06464	6.0
241.04936	1.9
243.04283	1.0
243.06540	2.6
245.04959	1.2
247.03009	2.0
259.05991	10.6
261.07593	9.0
263.06012	1.1
271.06094	8.7
276.06201	1.0
289.06522	12.8
289.12476	6.0
289.15173	0.9
294.07343	1.1
301.51373	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0703
Annotation	Isookanin
Peak:m/z	Relative Intensity
53.28761	0.6
62.53473	0.5
64.60643	0.6
65.03933	5.6
67.05479	1.5
68.99780	4.2
71.12386	1.6
72.95388	0.6
77.03899	0.7
79.05479	0.9
81.03382	0.8
83.04978	1.0
87.75483	0.6
89.03918	2.0
89.55793	0.6
93.03398	7.3
95.04963	2.8
97.17963	0.6
103.05476	1.1
105.03327	1.0
107.04944	6.6
109.02841	0.6
111.00804	0.8
111.04429	32.4
115.05388	0.9
117.03336	2.3
121.02869	1.4
123.04419	52.1
127.03899	24.7
131.04922	3.0
135.04402	100.0
136.04791	0.6
136.07494	0.8
137.02367	3.0
139.03888	47.4
139.94334	0.7
149.02333	8.9
149.05984	1.4
151.03889	21.8
153.01813	1.9
155.05005	0.9
159.04413	2.6
161.05977	0.8
163.03894	23.3
167.03503	1.0
168.28677	0.7
169.06516	1.0
173.06026	2.0
177.05475	2.6
179.03426	2.6
187.03845	1.8
188.05640	0.7
197.06010	3.1
201.05553	1.5
203.06960	1.0
205.04996	1.0
213.05403	1.8
215.07019	3.3
225.05399	1.1
229.04985	1.3
231.06494	4.7
241.04997	1.4
243.06512	3.3
259.05981	6.3
261.07532	7.2
271.06012	7.3
271.14450	1.3
289.07047	13.3
289.11935	1.1
289.15640	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2368
Annotation	Lobophytumin E
Peak:m/z	Relative Intensity
53.03948	0.4
55.05508	13.0
57.07072	0.7
59.04995	0.6
67.05492	1.1
69.07067	2.2
70.78667	0.4
70.79018	0.9
73.34373	0.3
74.35255	0.3
79.05479	0.7
81.07053	4.2
83.04977	100.0
83.08605	1.3
84.05312	1.2
85.06551	1.4
85.16713	0.3
91.05479	1.6
93.07034	2.2
95.08601	4.7
97.10164	4.1
99.08110	0.4
105.06325	0.3
105.07024	7.2
107.08600	2.8
109.10157	2.5
117.07016	0.5
119.08582	14.2
120.08916	0.5
121.10130	1.6
123.11704	0.7
125.09646	0.7
131.08592	0.8
133.10124	3.1
135.11714	0.8
137.13254	1.2
139.11099	0.3
142.14258	0.3
145.10155	1.2
147.11708	0.9
149.13280	0.8
151.11189	0.6
153.12772	0.4
157.10156	0.6
159.11720	1.4
161.13242	0.7
163.11183	1.5
171.11685	0.5
173.13316	1.1
175.14801	1.5
185.13205	0.6
187.14847	1.2
189.16368	6.4
195.17436	11.1
196.17813	0.4
213.16391	1.2
229.19594	2.1
269.22623	2.7
287.05396	0.4
287.23669	9.3
288.24243	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2367
Annotation	Lobophytumin E
Peak:m/z	Relative Intensity
53.03938	0.6
55.05505	13.6
55.54341	0.2
56.96559	0.4
57.07070	1.6
59.05011	0.3
65.03928	0.2
67.05523	1.1
69.07058	2.7
70.91915	0.7
79.05497	1.3
81.07049	4.7
83.04974	100.0
83.08615	0.8
84.05319	1.2
85.06543	1.8
89.70779	0.2
91.05471	2.1
93.07044	2.7
95.04973	0.4
95.08604	4.2
97.10155	4.1
98.97562	0.3
99.08080	1.0
103.05455	0.6
105.07023	9.1
105.39982	0.3
106.07355	0.2
107.08579	2.9
109.06520	0.2
109.10155	2.4
111.08081	0.3
115.34771	0.2
116.98608	0.3
117.06987	1.2
119.08571	15.1
120.08946	0.4
121.02886	0.4
121.06474	0.3
121.10117	1.8
123.08070	0.2
123.11681	0.7
125.09624	0.7
129.06978	0.3
131.04855	0.2
131.08569	1.1
133.10123	2.7
135.11676	1.1
137.13255	1.0
142.07832	0.3
143.08546	0.4
145.10123	2.0
147.11691	1.2
149.13260	0.6
151.11140	0.6
153.01823	0.8
153.12732	0.3
157.10112	1.1
159.11687	1.8
161.09610	0.3
161.13229	0.8
163.11168	1.4
171.11702	0.5
173.13232	0.9
175.14807	1.6
177.12752	0.3
177.16353	0.3
185.13283	0.6
187.14812	1.3
189.16359	3.7
189.49084	0.2
191.14270	0.3
195.17432	11.6
196.17723	0.4
198.60060	0.2
199.14801	0.7
201.16309	0.5
203.17924	0.3
213.16394	0.8
227.17838	0.6
229.19473	1.9
256.15097	0.3
259.55521	0.2
269.19659	0.4
269.22546	2.1
287.02225	0.4
287.05444	6.3
287.12592	0.3
287.20172	0.7
287.23624	7.4
288.05814	0.5
288.09814	0.3
288.24042	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2367
Annotation	Lobophytumin E
Peak:m/z	Relative Intensity
53.03948	0.5
55.01883	0.1
55.05507	14.8
56.05832	0.3
57.07078	1.1
58.23411	0.2
59.04994	0.4
64.23717	0.1
67.05500	1.5
69.03426	0.2
69.07066	2.3
70.20948	0.7
70.21299	0.3
71.04990	0.3
78.62217	0.1
79.05478	1.1
79.86324	0.2
81.07053	5.2
82.07368	0.1
83.04974	100.0
83.08616	1.2
84.05303	1.7
85.06537	1.6
91.05473	2.1
93.07034	3.2
95.04970	0.3
95.08601	4.8
97.06496	0.2
97.10159	4.0
99.08092	0.6
103.05450	0.3
105.07022	8.7
106.07351	0.2
107.08587	3.2
109.06464	0.3
109.10139	3.0
111.08092	0.3
117.06996	1.0
119.08572	15.5
120.08932	0.5
121.06551	0.2
121.10141	1.9
123.11703	0.7
125.09634	0.7
129.06940	0.2
131.08548	0.8
133.10124	3.3
134.10417	0.2
135.11662	1.3
137.13229	1.1
137.14104	0.2
139.11266	0.4
143.08585	0.5
145.10114	1.9
146.10553	0.2
147.11661	1.4
149.13231	0.5
151.11168	0.7
153.01788	0.2
153.12738	0.3
156.09317	0.1
157.10106	0.9
159.11703	1.8
161.13219	1.0
163.11171	1.9
165.61513	0.2
171.11714	0.5
173.13229	1.5
175.14828	2.1
177.12700	0.2
177.16315	0.4
185.13281	0.4
187.14792	1.5
189.16370	5.6
195.17435	11.3
196.17720	0.4
199.14822	0.9
201.16353	0.3
213.16389	1.0
215.17958	0.3
227.17964	0.4
229.19498	2.7
231.17421	0.5
243.21074	0.2
269.22635	3.1
270.23016	0.3
287.05493	4.1
287.20267	0.4
287.23645	9.7
288.23969	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1641
Annotation	Methallenestril
Peak:m/z	Relative Intensity
55.05461	2.2
57.07027	1.3
65.03928	0.5
65.40803	0.4
65.61707	0.5
67.05444	1.5
69.03372	0.5
69.07066	2.4
70.06534	0.5
70.79540	1.4
71.04938	0.6
77.37524	0.5
79.05441	1.5
81.07060	4.2
83.04926	1.7
83.08546	1.4
85.06478	1.9
88.07575	0.8
91.05413	1.3
91.28877	0.4
92.93005	0.5
93.07059	2.3
95.04890	0.6
95.08605	10.7
105.07008	2.8
106.08589	0.8
107.04908	0.5
107.08533	2.1
109.06484	0.7
109.10112	0.7
111.08023	0.5
117.06959	1.2
119.08578	3.1
121.02855	0.7
121.06499	8.4
121.10107	1.2
128.06152	0.6
129.06944	1.0
131.08501	2.1
133.10103	2.5
135.08037	3.0
141.06903	0.6
143.08525	1.1
145.06483	5.5
145.10046	1.6
146.07198	2.0
147.08041	25.3
147.11568	0.7
148.08325	0.7
151.54320	0.5
153.01793	1.3
155.08510	0.7
157.06487	0.8
157.10062	1.9
158.07205	1.7
159.08040	11.4
159.11641	2.2
160.08328	0.6
161.09607	5.0
163.07521	5.5
170.07278	0.6
171.08041	30.1
171.11559	0.9
172.08559	1.8
173.09622	7.5
173.13260	0.6
175.09763	0.7
175.11169	8.5
185.09615	11.1
185.13278	1.1
187.11176	56.1
188.11490	2.6
191.06996	5.3
197.09589	1.3
198.10306	1.3
199.11185	6.3
201.12662	1.6
201.16368	1.4
211.11108	1.1
212.11914	2.0
213.05368	0.9
213.12733	1.5
213.16396	0.5
217.08542	2.3
226.13461	1.5
227.14311	0.6
227.17960	0.7
241.15865	100.0
242.16206	5.3
242.21507	0.5
243.17496	0.7
259.16940	13.4
269.15173	0.7
269.22617	0.8
287.05508	15.2
287.16440	30.9
287.19919	2.7
287.23532	2.0
288.05789	0.7
288.16702	1.8
288.28961	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.11
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.4
56.96551	0.7
68.99787	0.6
69.03412	1.6
69.91000	1.3
69.91406	0.8
70.06581	3.0
71.06919	0.8
73.02906	0.4
79.01848	0.4
81.03419	0.4
85.02895	0.9
91.22433	0.3
97.02888	1.8
98.21497	0.4
98.97595	0.7
100.36047	0.4
107.04929	0.5
109.02853	0.6
112.07612	1.9
113.07908	1.1
116.98601	0.9
119.01889	2.3
121.06482	0.8
124.03936	0.9
125.02345	1.2
125.04276	0.5
126.05501	0.6
127.03921	0.9
130.08621	0.6
134.99628	0.6
137.05879	0.5
140.07031	0.9
141.07361	1.2
143.01912	2.6
143.03372	1.1
147.04358	0.5
149.02298	0.6
153.00659	0.3
153.01813	6.3
155.97523	0.4
158.99698	0.4
161.02940	7.4
167.07008	0.4
170.05193	0.4
174.55185	0.5
175.81601	0.4
177.00648	0.6
186.04472	0.6
193.04926	0.5
203.03656	1.4
204.05557	0.5
206.08255	0.5
213.05403	0.4
219.01709	0.6
231.06721	0.4
237.02737	0.8
241.04965	0.6
246.85773	0.4
270.07523	0.4
276.04984	0.6
277.44772	0.4
278.58911	0.6
287.05560	10.0
287.10986	100.0
288.05698	0.4
288.11325	3.2
296.13647	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Cyanidin
Peak:m/z	Relative Intensity
51.31119	0.2
52.68899	0.2
52.72990	0.2
56.40430	0.1
57.07047	0.3
57.33350	0.2
65.03933	0.3
67.05489	0.3
68.99785	2.0
69.03415	0.3
69.07048	0.4
69.39638	1.7
71.04990	0.2
74.01594	0.2
74.58310	0.2
79.05490	0.9
81.03387	0.2
81.07061	1.0
83.04961	0.3
83.08596	0.2
85.06523	0.2
91.05438	0.3
93.07021	0.7
95.04960	0.4
95.08595	0.8
95.51021	0.2
96.58018	0.2
98.20760	0.3
103.05432	0.3
105.03376	0.7
105.07004	0.6
106.47857	0.2
107.04939	1.0
107.08571	0.4
109.02866	0.6
109.10172	0.4
111.00795	1.6
111.04434	0.4
115.05445	0.3
117.07011	0.3
119.04949	0.2
119.08556	0.9
121.02859	5.7
121.06480	0.2
121.10114	0.4
122.27009	0.2
123.11694	0.4
127.03929	0.2
128.06201	0.2
129.06934	0.5
131.04897	0.3
133.02846	0.9
133.10112	0.6
135.04408	0.4
135.08104	0.2
135.11653	0.3
137.02330	2.0
143.04892	0.2
145.06432	0.5
145.10088	0.4
147.04362	1.1
147.11656	0.4
149.13254	0.2
151.03860	0.2
153.01811	9.0
157.06490	1.2
159.11684	0.6
161.05972	0.4
161.13266	0.2
165.01814	3.0
169.06384	0.2
171.04430	0.7
175.11209	0.2
183.02879	1.5
185.05952	1.1
185.13268	0.2
189.05469	0.3
197.06006	0.3
201.16446	0.2
203.06979	0.4
213.05440	2.9
213.16345	0.3
231.06494	1.5
241.04927	1.5
258.05203	2.3
259.05978	0.9
269.04449	0.4
269.22482	0.3
287.05469	100.0
287.23599	1.7
288.05801	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	287.0547
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03949	0.1
55.01869	0.1
65.03926	0.3
65.56937	0.1
67.01865	0.3
68.99430	0.1
68.99783	2.0
69.03409	0.2
70.95571	0.2
71.01351	0.1
77.03948	0.1
79.05488	0.6
80.53201	0.1
81.03399	0.3
84.70470	0.1
89.03944	0.1
94.04179	0.1
95.01328	0.1
95.04951	0.4
97.02855	0.1
103.05475	0.2
105.03389	0.8
107.04943	1.2
109.02851	0.8
111.00793	1.3
111.04446	0.5
115.05440	0.1
117.06984	0.1
119.04936	0.2
121.02854	6.5
122.03090	0.1
126.03127	0.1
127.03906	0.3
128.06200	0.1
129.01811	0.1
129.07004	0.3
133.02835	0.8
135.04433	0.3
135.08041	0.1
137.02321	2.0
141.06998	0.3
143.04895	0.1
145.06474	0.5
147.04399	1.2
151.03876	0.2
153.01813	10.4
154.02257	0.1
157.06462	1.3
161.05959	0.4
163.03838	0.1
165.01820	3.5
169.06491	0.1
171.02975	0.2
171.04350	0.6
173.05878	0.1
175.03838	0.1
175.07504	0.1
179.03322	0.1
183.02879	1.7
183.04506	0.1
184.05179	0.1
185.05952	1.2
189.05484	0.3
191.03360	0.1
194.02188	0.1
195.18781	0.1
197.05974	0.3
201.05499	0.1
203.03363	0.2
203.06999	0.3
213.05443	3.0
216.04227	0.1
217.05011	0.1
229.04875	0.4
231.06483	1.3
241.04935	1.6
242.05595	0.1
243.06551	0.2
245.04439	0.2
252.45235	0.1
258.05215	2.0
259.06033	0.8
269.04492	0.3
287.05466	100.0
288.05804	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88037	0.1
51.02388	0.1
53.03928	0.2
55.01865	0.1
65.03933	0.4
67.01850	0.2
68.99434	0.1
68.99785	1.8
69.03428	0.2
71.01344	0.1
71.56029	0.1
72.54552	0.1
77.08411	0.1
79.05486	0.5
81.03420	0.2
85.02869	0.1
95.04961	0.3
103.05463	0.2
105.03395	0.9
107.04946	1.1
109.02876	0.7
111.00804	1.4
111.04459	0.4
115.05467	0.2
117.07027	0.1
119.04945	0.2
121.02861	6.0
121.03828	0.2
121.06448	0.1
122.03169	0.1
127.03902	0.2
128.06168	0.1
129.06996	0.4
131.04881	0.1
133.02856	0.9
133.06477	0.1
135.04410	0.4
137.02339	2.0
139.05450	0.1
141.06993	0.3
143.04893	0.1
145.06483	0.5
147.04402	1.5
151.03850	0.1
153.01822	10.0
154.02197	0.1
157.06487	1.3
161.02306	0.1
161.05943	0.4
165.01831	3.1
166.02332	0.1
169.06560	0.1
171.02948	0.1
171.04395	0.7
173.05928	0.1
175.03932	0.2
175.07538	0.1
183.02893	1.6
184.05086	0.1
185.05960	1.3
189.05466	0.2
195.04256	0.1
197.05931	0.2
199.03847	0.1
201.05476	0.2
203.03354	0.2
203.07050	0.3
213.03415	0.1
213.05458	3.0
214.06003	0.1
216.04214	0.1
229.05017	0.4
230.66034	0.1
231.06487	1.2
241.04948	1.5
242.05638	0.1
243.06506	0.2
258.05243	2.1
259.06021	0.8
269.04352	0.4
269.06876	0.1
286.04529	0.1
287.05484	100.0
288.05826	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Cyanidin
Peak:m/z	Relative Intensity
53.03938	0.1
65.03930	0.3
65.19544	0.1
67.01868	0.2
68.99780	1.8
69.03395	0.2
70.59394	0.4
70.69863	0.1
79.05483	0.4
81.03391	0.3
83.31886	0.1
91.05443	0.1
93.03394	0.2
95.04936	0.3
103.05463	0.2
105.03378	0.5
105.06998	0.1
107.04937	1.0
109.02856	0.5
111.00779	1.0
111.04401	0.3
119.04948	0.2
121.02853	5.3
127.03932	0.1
128.06241	0.1
129.07001	0.2
133.02823	0.7
135.04391	0.4
137.02332	1.5
141.06927	0.2
145.06451	0.6
147.04370	1.2
153.01814	8.1
157.06461	1.2
161.05928	0.3
165.01820	3.1
169.06422	0.2
171.04407	0.5
173.05907	0.1
183.02887	1.6
183.46423	0.1
185.05933	0.9
189.05511	0.1
194.02293	0.1
196.52975	0.1
197.06012	0.3
201.05408	0.1
203.07114	0.2
213.05443	2.4
216.04265	0.1
229.04964	0.3
231.06523	1.2
241.04944	1.4
243.06580	0.2
245.04305	0.2
258.05197	1.9
259.05991	0.8
269.04367	0.4
287.05469	100.0
288.05823	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48878	0.1
53.03921	0.1
65.03918	0.2
67.01864	0.2
68.99787	1.5
69.03419	0.2
69.47845	0.4
69.48267	1.0
74.09680	0.1
79.05483	0.6
79.21268	0.2
81.03403	0.3
92.36110	0.1
95.04947	0.2
98.21204	0.6
103.05428	0.2
105.03374	0.7
107.04932	0.7
109.02854	0.6
111.00799	1.2
111.04459	0.4
115.05363	0.1
121.02865	5.5
127.03947	0.2
129.07014	0.3
133.02821	0.9
135.04419	0.4
137.02333	1.7
141.06995	0.2
145.06480	0.6
147.04404	1.4
153.01822	8.6
157.06500	1.2
161.06020	0.2
163.03943	0.2
165.01837	3.0
169.06400	0.2
171.04390	0.5
175.03900	0.3
183.02850	1.6
185.05977	1.2
189.05522	0.2
201.05521	0.2
203.03386	0.3
213.03474	0.2
213.05461	2.7
228.43150	0.2
229.04953	0.5
230.05621	0.2
231.06448	1.1
241.04919	1.3
258.05237	2.0
259.05988	0.8
269.04404	0.4
287.05478	100.0
288.05786	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	287.0548
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.81291	0.2
55.76885	0.2
67.01855	0.3
68.78176	0.2
68.99795	1.9
69.35979	1.1
69.36396	0.8
74.58424	0.2
79.05489	0.8
81.03407	0.2
91.05474	0.3
95.04948	0.3
103.05485	0.3
105.03378	0.7
107.04965	1.2
109.02856	0.7
109.36183	0.2
109.45270	0.2
111.00836	1.1
111.04409	0.5
112.70517	0.2
121.02867	5.3
127.03899	0.2
129.06947	0.3
133.02838	0.7
135.04422	0.4
136.07594	0.3
137.02339	2.3
137.05952	0.3
139.97144	0.2
145.06505	0.6
147.04399	1.2
147.91678	0.2
151.07497	0.2
153.01814	8.2
157.06438	1.1
160.83247	0.2
161.02336	0.3
161.05963	0.6
163.07486	0.2
164.07077	0.3
165.01848	3.6
167.08571	0.4
171.04419	0.6
183.02849	1.3
185.05975	0.8
195.08044	0.7
197.05928	0.3
203.06987	0.4
213.05435	3.0
216.95296	0.2
223.07568	0.3
227.10677	0.8
231.06487	1.0
241.04904	1.4
242.05760	0.2
245.04587	0.2
255.10063	0.6
258.05228	2.0
259.06015	0.9
269.04385	0.4
287.05484	100.0
288.05841	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	285.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01857	1.9
55.05263	2.3
55.05508	41.1
56.96553	6.3
57.03237	1.4
57.03442	15.9
57.07074	19.1
63.00036	3.4
65.03931	2.4
67.05173	3.0
67.05501	45.0
69.03410	3.7
69.07063	54.8
69.45106	15.3
71.04996	10.9
71.08633	11.1
71.57571	1.6
79.05485	22.4
81.03414	37.1
81.07052	100.0
83.04984	17.7
83.08613	57.7
85.02902	33.1
85.06551	9.8
85.10155	7.2
91.05476	24.4
93.07040	27.0
95.04967	20.6
95.08602	92.4
96.08887	2.0
97.02908	3.3
97.06516	2.9
97.10160	34.2
98.21532	3.4
98.97549	3.6
99.08093	3.0
105.07035	29.1
107.04948	7.9
107.08589	19.6
108.08876	1.7
109.06502	5.9
109.10149	63.8
111.08071	10.5
111.11713	23.3
113.06010	4.1
113.09620	2.1
115.05421	2.9
116.98607	2.6
117.06995	4.6
119.08578	29.3
121.00474	10.6
121.06514	2.3
121.10137	14.5
121.50677	4.0
123.08050	4.0
123.11702	50.2
124.11251	1.6
125.13282	5.3
128.06221	2.8
129.06984	8.0
131.08597	14.4
133.06470	3.8
133.10120	13.3
134.99666	2.5
135.08040	2.4
135.11671	2.6
137.05965	3.6
137.09619	2.5
137.13266	15.6
141.06967	3.9
142.07726	2.5
143.08603	8.7
145.10100	11.9
146.03636	2.6
147.08022	3.4
147.11673	16.4
149.02287	2.7
149.09633	4.7
149.13248	2.2
150.63194	1.7
151.03874	2.1
151.14775	8.2
153.16357	2.4
154.07764	2.6
155.08536	5.4
157.10149	16.1
157.15765	1.6
159.11694	10.6
161.05981	13.9
161.09636	2.7
161.13257	4.2
162.06503	2.0
163.11224	1.8
165.07013	16.6
165.12737	3.3
165.16394	7.6
167.08565	2.3
168.49892	3.7
169.10130	5.5
171.08057	2.1
171.11661	8.3
172.51141	2.4
173.09573	2.9
173.13243	6.6
175.11201	10.2
175.14832	3.3
177.00253	3.4
177.50372	5.4
178.00497	1.9
179.17949	3.7
181.06471	3.3
182.07222	5.5
183.08022	2.1
183.11688	5.8
184.12367	2.1
185.09651	2.4
185.13232	6.2
185.18909	1.8
187.07520	2.6
187.11209	2.7
187.14859	3.9
190.51199	3.2
193.06500	12.7
193.10420	2.8
193.12225	40.3
193.19545	4.7
194.07234	3.3
194.12628	3.0
197.06058	3.8
197.13277	4.8
199.01630	2.0
199.14746	6.1
199.51727	3.0
201.16345	2.4
210.06714	12.5
211.07605	2.7
211.11241	2.0
211.13219	33.5
213.16464	3.0
217.02434	2.2
217.52711	3.1
221.05991	18.6
222.06651	2.5
224.15436	1.7
225.09084	32.4
225.16309	4.3
226.09550	1.9
227.14233	2.6
227.17972	2.7
229.03299	2.4
229.15977	1.8
230.53615	12.0
231.03531	2.8
238.06192	6.2
239.03801	2.0
239.06795	2.2
239.18008	2.0
239.54048	3.2
242.04204	3.3
249.02994	2.4
249.18576	2.1
249.25769	10.5
253.08597	70.7
254.09090	7.8
257.12900	2.6
261.55756	1.8
267.21091	23.4
267.24020	3.0
267.26776	8.6
268.11087	2.3
270.08948	2.0
285.04065	3.7
285.07629	4.0
285.11191	45.1
285.16611	28.7
285.22076	38.0
285.25302	5.4
286.11765	6.1
286.22183	2.6
291.03738	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2211
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
51.60944	1.4
55.01866	1.8
55.05505	18.8
56.96538	1.6
57.03418	7.0
57.07080	13.8
59.61366	1.5
63.00020	6.4
66.12811	1.9
67.05504	26.1
69.03413	4.5
69.07066	33.6
69.07626	1.7
71.04967	5.1
71.08604	6.8
71.59645	3.1
71.60003	2.1
79.05482	22.8
81.03414	19.7
81.07048	50.5
83.04971	11.5
83.08615	24.9
84.21362	1.6
85.02885	9.4
85.06512	5.3
85.10158	2.7
91.05471	21.1
93.07040	36.5
95.04955	12.7
95.08600	51.5
96.21201	1.7
97.06562	3.4
97.10158	17.5
98.97560	3.8
98.98449	4.2
103.05439	2.1
104.24058	1.5
105.07018	36.4
107.04967	2.9
107.08582	25.1
109.06497	4.9
109.09456	2.5
109.10144	31.4
111.08027	5.1
111.11709	8.4
115.05402	2.3
116.98597	3.2
117.06981	6.5
119.08563	30.4
121.06456	4.8
121.10133	17.2
123.04382	2.9
123.08088	2.6
123.11697	22.7
125.13245	1.6
128.06236	2.3
129.06981	5.1
131.08560	15.8
133.06453	3.6
133.10121	14.7
134.99594	3.2
135.08022	4.7
135.11671	8.4
137.05977	2.0
137.09596	2.3
137.13216	6.7
141.06927	2.0
142.07774	4.7
143.08545	12.3
145.10117	24.4
146.03598	2.2
147.07967	2.2
147.11650	15.3
149.09592	4.1
149.13219	4.5
151.11212	2.4
151.14783	2.8
154.07753	2.9
155.08537	12.1
157.10118	18.0
158.99571	1.9
159.08009	4.3
159.11684	17.4
160.97650	2.1
161.05994	9.2
161.09663	2.5
161.13205	6.9
162.06718	2.2
163.03900	2.8
163.18700	1.7
165.06985	13.4
168.09354	4.0
169.10107	15.5
170.10858	2.8
171.11656	9.9
173.09546	5.9
173.13257	13.3
173.51678	1.6
175.11186	8.1
175.14839	19.0
179.17888	2.3
182.07220	4.3
183.11693	13.5
185.13255	9.0
187.07559	2.0
187.11162	2.6
187.14832	8.0
189.12587	2.3
191.03342	2.2
191.14188	2.5
193.06476	12.6
193.12225	16.1
193.15834	3.4
196.12518	2.5
197.13245	16.1
198.13765	1.8
199.14757	10.6
201.12733	4.3
201.16322	2.9
209.05721	2.0
209.13197	3.3
210.06805	9.6
211.13222	7.2
211.14983	10.6
213.16322	5.9
215.14281	3.8
215.17838	2.4
220.10350	3.1
221.05965	16.3
222.96947	1.9
224.15579	4.6
225.09105	23.4
225.16350	9.3
227.17915	3.8
229.05112	2.3
229.15730	4.6
238.06255	3.5
239.07047	3.1
239.17972	5.9
243.17473	2.4
249.25661	2.6
252.23611	1.6
253.08594	51.9
254.09111	5.0
257.22552	4.5
267.21054	100.0
267.26859	3.1
268.10931	4.5
270.08923	2.4
276.62262	1.7
277.12299	2.1
285.04083	3.0
285.07532	7.3
285.11148	35.5
285.16940	6.8
285.19049	3.3
285.22079	92.3
285.25165	5.7
286.12308	5.1
286.22415	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	285.2212
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
54.83553	0.7
55.01868	1.3
55.05507	4.4
57.03429	2.8
57.07070	1.1
65.03915	0.8
67.05166	0.8
67.05505	7.9
69.03409	1.5
69.07066	6.3
70.62337	1.4
70.62708	1.3
71.04964	1.3
79.05485	5.6
81.03396	1.1
81.07049	13.3
83.04951	1.0
83.08609	4.2
85.02905	0.8
91.02534	0.7
91.05454	5.7
92.99043	0.6
93.07040	11.0
95.04980	1.3
95.08037	1.2
95.08599	13.2
97.06520	2.4
97.10139	1.4
103.05450	0.7
105.07030	12.5
107.04949	1.3
107.08595	12.1
109.06511	1.3
109.10161	8.7
109.97168	0.6
111.08071	0.7
115.05424	0.8
117.06998	4.7
119.04893	1.0
119.08577	16.0
121.02868	1.5
121.06502	3.7
121.10132	10.0
121.53609	0.6
123.04449	1.6
123.08029	1.3
123.11681	2.4
125.09631	1.1
128.06204	0.9
129.06963	3.4
130.07758	1.2
131.08549	9.1
133.10126	6.9
135.04413	1.0
135.08054	3.8
135.11699	4.8
141.06978	2.1
142.07784	1.5
143.08537	8.3
144.05836	0.6
144.09369	1.0
145.06439	0.9
145.10121	14.0
147.04419	1.2
147.08018	1.1
147.11676	7.3
149.09634	0.9
149.13232	2.2
151.03906	1.5
153.01817	2.2
155.08551	6.7
156.09370	1.4
157.10106	9.6
159.08093	1.5
159.11679	10.7
161.05945	2.0
161.09637	3.7
161.13240	4.8
163.03889	1.4
163.11137	1.2
165.07045	1.9
167.06989	0.9
167.08482	1.0
169.10101	8.4
170.10928	1.7
171.11681	10.5
172.08815	0.9
173.09659	3.3
173.13261	8.5
175.11185	2.1
175.14780	3.1
177.12737	0.7
181.10159	1.3
182.07303	1.0
182.10880	2.5
183.03145	0.7
183.11696	7.4
184.12453	2.5
185.09610	1.1
185.13272	6.9
186.59409	0.7
187.11168	4.7
187.14807	5.6
189.12740	3.1
189.16335	0.9
191.03400	2.2
191.14296	0.8
193.06487	1.4
195.11765	1.2
196.12514	2.3
197.13246	10.2
198.13983	1.3
199.14757	5.7
201.12708	2.1
201.16425	2.1
203.14230	1.1
209.13219	2.2
209.58235	0.6
210.13979	0.9
211.14816	7.6
212.15434	1.9
213.16298	3.3
215.14349	2.3
221.06076	1.4
223.14806	0.7
224.15613	2.3
225.09090	3.0
225.16360	7.4
227.17946	14.2
229.15834	2.5
229.19456	0.8
238.17221	1.5
239.07063	1.0
239.17892	3.5
241.15825	2.1
241.19543	1.6
243.06610	0.8
243.17421	0.9
252.18665	1.3
253.08522	5.0
257.18924	4.0
257.22668	2.4
267.21075	42.7
268.13312	1.1
268.21368	1.6
270.08850	1.0
285.03989	2.1
285.07596	3.9
285.11261	4.8
285.15192	2.2
285.22104	100.0
286.22433	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	285.2212
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
55.05505	10.9
57.03422	1.6
57.07075	1.9
58.17735	0.6
66.27436	0.7
67.05499	4.7
69.03428	1.5
69.07066	3.7
70.07964	3.5
71.04999	0.8
71.08615	0.7
73.75891	0.7
79.05483	2.8
81.03416	1.9
81.07067	4.3
83.04975	100.0
83.08614	1.6
85.02896	1.2
85.06515	1.0
91.05468	5.2
93.07034	4.8
95.04975	2.5
95.08591	6.5
97.06492	0.8
98.21533	0.7
105.07025	14.1
105.07656	0.5
107.04960	0.8
107.08568	3.7
109.06494	1.6
109.10155	5.4
111.08077	1.1
115.06058	0.7
117.07028	2.6
119.08574	30.4
121.10147	2.2
123.11684	1.1
125.09633	4.4
131.08571	3.6
131.66801	0.6
133.10139	2.6
135.08035	5.6
135.11710	1.5
137.09644	0.8
142.07808	1.2
143.08601	1.4
145.10089	4.3
146.96544	0.6
147.08026	1.0
147.11690	2.1
149.02266	0.7
149.09627	1.1
149.13290	1.1
151.11183	0.8
153.12769	1.0
157.10127	3.2
159.11722	1.5
161.13333	1.1
169.10123	1.5
175.11171	1.1
175.14899	1.4
185.13240	6.2
187.14873	3.5
193.12297	2.5
193.15985	1.5
197.13248	0.8
199.14738	0.7
211.13222	1.3
211.14948	1.4
225.09146	1.0
227.18121	0.8
245.63356	0.7
253.08498	1.6
262.85477	0.7
267.21234	1.2
268.10947	1.5
275.75833	0.7
285.04227	1.1
285.07620	1.5
285.10995	1.6
285.17197	2.0
285.22141	8.6
285.29895	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2211
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
50.04368	0.9
53.03931	1.8
55.01861	0.8
55.05506	7.2
55.44802	0.8
57.03415	3.5
57.07062	1.2
58.42281	0.7
59.13525	0.7
67.05505	7.2
68.79682	0.7
69.07062	8.6
71.04987	1.3
71.92903	0.8
79.05479	5.8
81.03397	3.4
81.07051	17.4
83.04981	12.9
83.08612	4.2
85.02874	2.7
85.06519	1.1
89.74642	0.9
91.05478	11.9
93.07036	31.0
95.04953	3.5
95.08603	18.9
97.06497	1.0
97.10161	1.9
105.07022	25.1
107.04906	1.1
107.08585	17.0
109.06489	2.5
109.10155	7.0
111.08044	2.1
111.11698	1.1
117.07013	3.8
119.08577	25.2
121.06507	0.9
121.10132	10.5
123.08052	1.4
123.11716	6.3
125.09584	1.4
126.09243	0.8
128.06215	1.9
129.07033	4.0
131.08559	11.5
133.06532	0.9
133.10121	11.6
135.08054	1.7
135.11690	4.6
137.09583	1.2
137.13232	1.1
141.06941	2.7
142.07782	1.3
143.08545	6.6
145.10112	16.3
147.08031	1.3
147.11646	8.8
149.09602	2.2
149.13228	2.5
153.06995	1.3
155.08539	11.3
156.09271	1.6
157.10107	9.7
159.11690	8.1
161.03009	2.0
161.05943	2.7
161.09622	0.9
161.13226	6.3
165.06955	2.7
165.12755	1.9
167.08562	1.6
168.09341	2.2
169.10120	13.5
170.10841	1.9
171.11684	7.7
173.13243	10.8
175.11183	1.4
175.14819	19.2
179.14220	1.2
181.10046	2.1
182.07317	1.4
182.10918	2.9
183.11697	13.4
184.12450	2.0
185.13263	5.8
187.14809	5.2
189.12692	1.1
191.14293	1.7
193.06474	1.6
193.12207	3.4
193.15833	5.1
195.11714	1.5
196.12442	2.9
197.13243	17.5
198.13969	2.3
199.14703	4.0
201.16345	1.1
203.14252	0.9
209.13200	4.5
210.06776	2.2
211.13165	2.3
211.14804	9.6
212.15448	1.7
213.16382	4.3
215.14427	1.1
219.17442	1.1
221.05960	3.2
223.14742	2.0
224.15558	7.4
225.09081	5.6
225.16391	8.3
226.16820	0.9
227.17896	0.8
237.16357	3.2
238.06096	1.6
238.17184	1.7
239.17915	3.4
241.19366	2.3
243.17461	1.1
243.21014	1.4
252.18759	2.2
253.08553	10.9
254.09027	1.2
267.21060	100.0
268.21390	2.7
285.04095	1.1
285.07791	1.7
285.11215	7.2
285.17258	4.3
285.22083	58.0
286.22430	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2212
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
53.03951	0.8
55.05510	11.9
57.03437	1.1
57.07071	1.4
67.05503	3.2
69.03421	0.8
69.07065	4.3
70.07738	1.2
71.04983	0.8
79.05497	2.4
81.03407	1.8
81.07055	6.3
83.04975	100.0
83.08616	2.0
84.05304	0.7
85.02915	1.5
85.06536	1.8
91.05478	3.5
91.89505	0.3
92.95557	0.3
93.07047	3.6
94.73679	0.3
95.04980	1.9
95.08601	5.8
97.06501	0.6
97.10168	0.9
98.20717	0.3
104.40285	0.3
105.07021	7.6
107.04955	0.4
107.08604	3.1
107.48859	0.3
109.06533	1.0
109.10137	3.2
111.08080	1.3
111.11663	0.4
115.05440	0.5
117.06975	1.8
119.08574	17.9
121.06503	0.4
121.10156	1.8
123.08022	0.6
123.11723	1.2
125.09606	1.5
128.06203	0.3
129.07033	0.9
130.07822	0.3
131.08575	5.6
133.10120	1.4
135.08038	1.6
135.11726	0.5
137.05954	0.4
137.09621	0.5
142.07730	0.5
143.08560	3.0
144.09320	0.6
145.10110	8.1
146.10802	0.3
147.11679	2.2
149.09648	0.9
153.06927	0.4
154.07689	0.3
155.08539	0.9
156.09360	0.4
157.10103	3.8
158.10896	1.0
159.11682	7.0
161.05959	1.3
161.13242	1.1
162.06551	0.4
165.06956	2.1
167.08572	0.4
168.09332	0.5
169.10110	2.4
170.10895	0.4
171.11650	1.1
173.13263	0.8
175.11147	1.0
175.14792	0.4
177.12770	0.5
182.07220	0.3
183.11690	2.5
185.13254	6.0
187.14813	32.0
188.15044	0.6
189.12700	0.3
193.06525	2.0
193.12257	2.2
196.12500	0.5
197.13298	1.3
199.14819	0.5
201.16373	1.4
210.06683	1.8
211.07486	0.4
211.13214	1.2
211.14954	1.7
221.06003	1.9
225.09097	3.6
225.16432	0.8
226.09573	0.3
227.07002	0.4
227.18013	0.5
229.15942	1.6
231.30669	0.3
238.06187	0.3
253.08585	8.8
254.09175	0.8
257.19180	0.3
267.21039	2.5
268.10861	0.8
270.08939	0.4
285.04132	0.4
285.07837	0.6
285.11188	5.2
285.16882	1.4
285.22076	12.8
286.11542	0.5
286.22314	0.5
306.70752	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2209
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
52.78878	2.0
53.03933	2.2
55.05503	17.2
57.07061	6.9
67.05498	21.9
67.25298	1.7
69.07063	24.1
69.44981	4.1
69.45387	15.2
71.04991	13.1
72.93779	1.7
79.05490	14.2
79.95387	1.8
81.03368	2.4
81.07051	31.9
83.04945	5.4
83.08578	8.7
85.02882	2.1
86.06102	1.9
91.05478	15.6
93.07040	22.7
95.04950	5.8
95.08046	2.7
95.08599	32.1
97.10155	6.9
98.21503	2.2
105.07025	25.2
107.04941	2.6
107.08584	22.9
109.06503	1.9
109.10152	14.5
111.08087	2.2
117.06996	9.3
119.08573	29.0
121.06472	3.4
121.10129	17.6
123.08041	3.0
123.11703	17.8
128.06177	1.9
129.06943	2.9
131.08556	25.7
133.06413	2.2
133.10124	18.0
135.08049	6.0
135.11684	13.7
137.09599	3.7
137.13223	7.0
142.07780	2.7
143.08589	10.6
145.10106	26.4
146.97296	2.3
147.08014	18.3
147.11676	15.0
149.09584	5.8
149.13239	4.5
155.08511	3.9
157.10086	11.1
159.08047	5.4
159.11694	20.8
161.09621	5.9
161.13245	9.4
163.14871	2.7
164.98419	5.3
169.10107	6.7
171.11682	12.4
173.09651	3.8
173.13264	16.5
175.11122	4.1
175.14803	8.2
177.12689	2.2
183.11661	8.7
185.13245	13.4
185.63182	2.4
186.96751	2.3
187.11147	6.8
187.14815	13.0
189.12695	7.1
189.16330	3.2
197.13188	7.2
199.14787	7.2
200.15549	3.5
201.12691	6.9
201.16364	7.1
203.14162	3.1
211.14787	5.5
213.16313	3.8
215.14351	3.4
215.17882	13.3
217.15782	4.0
221.10008	2.3
225.16409	4.4
227.17935	11.3
229.15887	4.4
241.19330	4.8
243.17398	2.9
243.21039	15.7
253.08542	2.2
257.22589	15.1
267.21017	20.3
268.11102	3.9
285.07468	7.9
285.10608	2.5
285.16925	6.5
285.22086	100.0
286.30997	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83279	1.5
53.03945	2.9
55.01863	5.7
55.05255	3.2
55.05507	35.7
56.96560	2.7
57.03182	3.0
57.03435	42.0
57.07072	9.9
59.05000	3.3
65.03931	2.8
66.39994	1.6
67.05499	50.1
69.03440	4.5
69.07061	35.4
71.04978	12.3
71.08625	5.9
71.12462	3.7
77.03915	1.9
79.05484	30.3
81.03413	85.4
81.07050	85.4
83.04974	20.6
83.08613	48.6
85.02899	80.1
85.06545	6.9
91.05476	43.0
93.07037	30.5
95.04967	43.8
95.08603	50.5
97.02895	4.5
97.06519	7.6
97.10159	18.0
98.97581	2.7
98.98477	2.4
99.08085	2.3
105.07026	38.1
107.04942	10.1
107.08585	18.6
109.06529	7.2
109.10143	32.7
111.04432	4.4
111.08075	19.6
111.11723	9.2
113.05991	6.6
115.05450	4.5
116.98619	3.6
117.07006	4.6
119.07783	3.5
119.08577	44.0
121.00507	3.9
121.10138	20.7
122.99701	1.7
123.04442	2.5
123.08078	6.4
123.11683	22.0
125.09628	3.0
128.06221	2.0
129.06996	15.3
131.04913	2.0
131.08569	18.5
133.06479	4.8
133.10127	18.7
135.11740	4.5
137.09648	4.8
137.13219	4.4
141.06995	4.8
142.07808	5.2
143.08548	3.6
145.10115	11.4
147.08047	6.0
147.11685	26.4
149.09598	11.9
149.13216	2.0
151.11206	2.7
151.14795	2.5
154.07770	2.9
155.08530	2.9
157.06523	3.1
157.10132	22.6
159.11717	5.4
161.04793	2.4
161.05914	9.7
161.13116	1.9
162.06735	2.5
163.11253	2.1
165.06953	13.3
165.12759	6.4
169.10149	3.4
171.11740	5.0
172.00978	1.8
173.13246	4.6
175.11169	23.9
177.00571	2.6
177.50391	2.1
179.08571	2.3
181.06593	3.1
182.07253	4.9
183.11662	2.6
185.13281	6.8
187.07555	2.2
187.14838	2.6
193.06491	13.2
193.12225	100.0
197.05942	12.6
197.09691	2.6
197.13223	2.9
199.14835	4.9
210.06775	11.0
211.13263	84.3
217.02536	1.8
221.05984	15.5
225.09102	28.0
225.16576	2.2
227.17918	6.2
230.53546	3.2
234.90359	1.9
238.06247	4.6
239.07108	4.1
239.14246	2.0
239.17865	2.2
249.25700	3.3
252.09833	1.9
253.08586	56.6
254.09138	4.3
254.16733	4.8
257.22397	1.7
267.12180	2.1
267.15939	5.3
267.21225	8.2
267.26965	2.7
268.10901	5.8
270.08853	3.2
276.62515	2.9
280.26544	1.9
285.04315	2.5
285.07681	6.8
285.11261	37.5
285.16742	85.4
285.22156	23.3
285.25275	4.1
286.11401	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
55.01854	2.5
55.05511	6.8
56.96558	1.1
57.03435	11.1
65.03924	1.5
67.05494	14.9
68.99770	1.1
69.03413	3.7
69.07066	4.9
69.66665	5.5
71.04985	2.4
75.04477	1.0
79.05490	15.0
81.03413	100.0
81.07049	13.3
83.04984	6.1
83.08614	21.2
85.02888	4.1
85.06538	2.1
91.05475	17.5
93.07046	7.5
95.04960	25.9
95.08601	5.6
95.58965	0.8
97.02901	2.7
97.06517	2.3
99.08080	1.3
100.02192	1.0
105.07020	14.2
107.04949	8.9
107.08569	4.3
109.02821	1.3
109.06494	3.1
109.10142	2.9
111.04409	2.2
111.08086	9.6
111.11730	1.6
115.05432	1.7
117.06986	2.2
118.01547	0.9
119.04916	1.5
119.08563	12.3
121.02860	3.5
121.06477	2.8
121.10123	6.6
123.04398	1.4
123.08057	3.3
123.71506	0.9
129.07002	7.1
131.08565	7.1
133.06473	3.3
133.10146	4.7
134.99666	1.1
135.04439	2.4
137.05991	1.2
137.09598	1.8
142.07745	2.2
145.10085	2.4
147.04401	2.3
147.08029	3.1
147.11681	7.7
149.09642	5.0
151.03922	1.2
151.78511	0.9
153.01805	2.8
157.10112	9.1
159.11610	1.5
161.05974	1.8
163.03865	3.5
165.07001	1.3
165.12663	2.1
167.03410	2.0
169.10188	1.0
171.11580	1.2
175.11205	12.9
183.02914	1.0
191.03374	17.8
193.12228	50.3
197.05991	2.1
199.07619	1.1
211.09645	3.6
211.13243	8.0
217.80962	0.9
221.06027	1.7
225.09081	2.0
227.06865	0.9
239.07097	1.1
243.06508	3.0
249.18527	1.7
253.08577	3.6
255.06671	0.9
257.04343	1.0
257.08325	0.9
267.06293	1.0
267.15857	17.1
268.10968	1.4
276.62427	0.9
285.04031	2.6
285.07645	6.5
285.11310	3.3
285.16742	6.4
285.22186	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	285.1696
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03928	3.7
55.01857	3.3
55.05508	21.2
57.03435	39.7
57.07052	1.6
65.03915	2.2
67.05168	2.4
67.05502	31.3
69.03414	3.2
69.07064	8.6
69.57833	12.9
71.04980	9.3
79.05491	34.9
81.03416	81.9
81.07052	40.4
83.04984	19.4
83.08616	30.8
83.09099	1.8
85.02898	71.6
85.06499	2.0
87.04448	2.1
91.05474	42.1
93.07030	20.0
95.04971	34.5
95.08596	16.2
97.02874	2.5
97.06519	5.8
97.10182	3.7
99.08050	1.9
105.07028	27.8
107.04967	8.0
107.08595	8.8
109.06508	5.9
109.10153	6.2
111.04438	3.8
111.08083	17.8
112.18082	1.8
113.05971	6.3
115.05423	2.5
117.78084	1.6
119.08579	24.8
121.06557	2.1
121.10139	16.0
123.08058	6.4
123.11649	3.0
129.06993	11.5
131.08554	12.8
132.34413	1.5
133.06482	4.3
133.10135	14.8
135.08147	1.6
142.07797	3.7
147.08051	3.3
147.11681	22.1
149.09613	6.7
153.01756	1.5
157.10136	16.9
165.12741	4.3
168.78067	1.6
175.11194	23.1
191.03389	3.5
193.12242	80.3
201.06973	1.9
211.13287	56.2
216.86850	1.7
225.09149	2.5
253.08704	2.2
254.65656	1.8
267.15909	9.0
285.04028	2.8
285.07639	3.1
285.11646	4.2
285.16959	100.0
286.17453	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70582	1.9
53.03945	2.2
55.01854	4.5
55.05258	2.7
55.05503	27.0
56.21656	1.9
57.03434	49.4
57.07076	3.3
59.04998	2.2
59.65592	1.9
67.05172	2.5
67.05501	38.7
68.42077	1.9
69.03415	6.8
69.07061	14.8
71.04989	9.8
71.12706	4.7
72.93990	2.0
77.36508	1.6
77.39011	2.2
79.05059	2.6
79.05489	33.1
79.27228	2.0
81.03413	91.1
81.07052	51.5
83.04973	16.1
83.08148	2.7
83.08613	36.1
85.02898	99.1
85.06541	4.2
91.05475	44.4
93.07040	28.2
95.04965	43.5
95.08604	24.8
97.02846	4.1
97.06525	7.3
97.10168	2.8
105.07021	37.7
107.04266	2.3
107.04929	10.1
107.08576	14.0
109.06506	11.2
109.10147	12.0
111.04427	6.7
111.08083	22.0
113.05984	7.4
117.06985	2.8
119.01929	2.8
119.04915	2.8
119.08569	34.7
121.06496	4.1
121.10130	20.1
123.08077	3.1
123.11671	6.6
129.07013	16.1
131.08571	19.9
133.06435	6.1
133.10161	14.0
135.08031	2.7
135.11710	3.6
142.07755	4.2
145.10109	7.9
146.41353	1.8
147.07974	5.0
147.11691	25.0
149.09598	8.4
153.01826	2.6
155.08591	3.1
157.10138	19.0
159.11684	2.2
161.02863	2.7
161.05988	5.3
161.13306	2.0
165.06985	5.8
165.12711	6.9
167.07022	2.0
169.10178	2.0
171.11658	3.1
173.13226	2.4
175.11192	26.7
182.07320	2.9
187.07529	2.8
187.14940	2.6
189.56761	2.2
193.06413	5.7
193.12230	100.0
199.14726	3.4
210.06752	5.6
211.07494	2.5
211.13264	87.2
217.53352	2.0
219.87627	1.9
221.05911	8.6
225.09019	20.2
235.04065	1.9
238.06129	3.3
244.13176	3.8
247.70346	2.0
250.16003	2.6
253.08604	33.2
254.09047	3.2
257.04465	2.0
265.16351	2.9
267.15845	2.4
267.20978	5.2
268.11002	3.0
285.04141	2.9
285.07513	7.3
285.11124	25.1
285.16885	96.6
285.21756	18.8
285.25308	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07249	1.8
53.03931	2.8
55.01855	3.6
55.05509	22.1
55.61546	1.5
57.03436	44.9
57.07054	1.7
59.04977	2.5
65.03941	2.4
67.05502	36.8
69.03419	5.0
69.07062	8.7
70.16968	1.5
71.04989	11.8
72.85782	1.6
74.51363	1.7
79.05061	2.0
79.05492	33.5
79.46918	1.9
81.03415	76.6
81.07048	41.8
83.04978	18.1
83.08140	2.2
83.08614	35.4
85.02899	83.5
85.06528	3.6
87.70740	1.3
91.05476	41.9
93.07044	24.4
95.04961	35.9
95.08604	16.8
97.02876	3.6
97.06505	6.7
97.10138	5.7
99.08096	1.9
102.29890	1.4
105.06384	2.6
105.07030	35.0
107.04936	7.3
107.08580	11.3
107.11324	1.5
109.06490	7.6
109.10128	5.2
109.95168	1.4
111.04427	4.8
111.08064	16.8
113.05995	4.9
115.05421	2.5
117.06972	2.4
119.04898	1.9
119.08569	27.5
121.06413	2.8
121.10133	13.9
123.08067	4.6
123.11681	4.2
129.07013	14.9
131.08582	14.0
133.06464	2.7
133.10130	16.2
142.07744	3.4
145.10127	2.6
147.08015	4.0
147.11681	26.3
149.09612	8.3
157.10117	21.1
161.13228	1.7
163.11253	2.6
165.12741	5.9
175.11169	29.1
192.36543	1.5
193.12231	91.5
211.13287	70.7
229.13408	3.0
253.08539	1.8
267.15872	4.8
268.10788	3.5
281.26529	1.6
285.04306	2.3
285.07529	4.7
285.16925	100.0
285.22101	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	285.1694
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03918	2.7
55.01857	3.9
55.05265	1.8
55.05506	22.2
57.03433	49.4
57.07045	1.7
62.15840	1.5
65.03926	3.0
67.05501	38.5
69.03410	4.5
69.07063	12.1
69.41069	8.1
69.41494	5.2
71.04990	11.1
77.02855	1.3
79.05489	35.3
80.12299	1.2
81.03411	77.8
81.07051	53.3
83.04548	1.5
83.04979	17.9
83.08612	33.3
85.02899	84.4
85.06519	3.7
87.04457	2.3
91.05473	46.7
93.07034	29.0
95.04960	38.9
95.08596	20.0
97.02885	4.2
97.06512	6.1
97.10147	3.4
99.08074	1.6
105.04506	1.4
105.07025	38.6
107.04970	7.8
107.08593	10.6
109.06514	7.4
109.10125	8.0
111.04434	4.3
111.08073	18.0
113.05983	5.7
115.05425	2.8
117.06946	1.8
119.08571	31.1
120.73756	1.4
121.06501	2.8
121.10146	18.1
123.08040	5.7
123.11666	6.0
126.20937	1.3
129.06993	12.8
131.08568	14.6
133.06467	4.2
133.10118	16.3
137.09598	2.5
142.07753	3.9
145.10104	2.0
147.08052	4.2
147.11676	25.2
149.09621	9.4
157.10109	17.9
159.11644	2.3
165.12723	8.1
171.01347	1.5
171.11723	1.8
171.31653	1.3
175.11162	27.1
193.12227	95.5
211.13264	71.7
227.17836	1.5
231.14255	1.5
236.46887	1.4
267.15909	2.9
270.05417	1.4
276.62225	2.0
285.04352	1.7
285.07605	4.0
285.16937	100.0
285.22070	5.1
285.30115	1.7
285.33478	3.3
286.17279	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	285.1694
Annotation	Hysterone D
Peak:m/z	Relative Intensity
51.37496	1.3
53.03930	2.3
55.01860	2.9
55.05510	21.1
57.03437	48.0
59.05000	2.5
67.05178	2.4
67.05503	36.3
68.74216	1.4
69.03404	4.2
69.07076	8.5
69.39000	3.6
69.39413	10.5
71.05004	10.2
79.05071	1.7
79.05495	32.5
81.03414	81.3
81.07056	40.4
83.04541	2.0
83.04984	17.3
83.08610	30.8
85.02904	80.2
85.06525	3.9
89.31037	1.5
91.05479	37.5
93.07041	22.2
93.43085	1.3
95.04970	39.0
95.08590	17.5
97.02894	4.1
97.06520	5.1
97.10144	4.0
99.04448	1.4
99.08044	2.0
105.07027	32.1
107.04956	7.0
107.08598	11.0
109.06503	5.4
109.10146	4.0
111.04472	3.7
111.08076	20.2
113.06013	7.0
113.06670	1.4
115.05412	2.2
117.06995	2.4
119.08582	24.9
120.74416	1.5
121.06496	1.9
121.10144	14.5
123.08043	6.2
123.11680	3.1
125.09561	1.8
129.07002	15.7
131.08568	14.0
133.06473	3.0
133.10135	13.9
137.09615	2.0
142.07765	3.1
145.10138	2.3
147.08035	5.2
147.11679	25.5
148.48958	1.3
149.09644	7.9
157.10114	19.8
157.11308	2.4
163.11211	2.0
165.12767	6.9
175.11177	27.6
193.12238	100.0
211.13290	82.2
250.92734	1.5
267.15884	4.5
285.07474	1.9
285.16956	96.9
285.22055	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Hysterone D
Peak:m/z	Relative Intensity
50.04751	1.1
53.03932	2.9
55.01852	3.7
55.05510	21.0
56.97049	1.2
57.03431	41.1
62.46261	1.2
67.05500	36.0
69.03421	6.7
69.07068	8.6
71.04991	9.0
71.61591	1.6
79.05058	1.8
79.05486	26.5
80.79380	1.3
81.03412	68.7
81.07053	40.2
83.04980	16.4
83.08616	27.9
84.12569	1.3
85.02900	73.7
85.06539	3.2
87.04462	1.5
91.05474	36.6
93.07040	24.9
95.04961	34.0
95.08604	17.8
97.02880	3.6
97.06506	7.4
97.10162	3.1
99.08077	3.6
105.07025	29.8
107.04935	7.6
107.08580	14.4
109.06521	6.1
109.10141	4.5
111.04420	3.4
111.08084	17.5
113.05987	5.5
115.05405	2.8
117.06993	1.9
119.08574	26.4
121.06523	1.8
121.10141	15.0
123.08045	5.0
123.11679	4.7
125.09595	3.0
129.05534	1.8
129.07002	11.7
131.08554	14.2
133.06499	3.5
133.10103	14.9
135.11691	1.4
137.05873	1.6
137.09595	2.0
142.07712	2.7
145.10098	2.9
147.08006	3.5
147.11674	23.9
149.09633	8.0
157.10136	21.3
157.11342	2.6
165.12755	3.4
175.11171	23.5
181.68353	1.2
183.11879	1.6
187.52647	1.6
193.12228	93.5
194.12598	1.8
211.13272	78.0
259.20267	1.3
267.15887	2.7
267.20963	2.0
268.10898	2.2
285.04193	1.8
285.07446	2.5
285.16931	100.0
285.22055	3.8
285.29846	1.9
285.33078	1.6
286.17206	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Hysterone D
Peak:m/z	Relative Intensity
50.21721	1.8
53.03926	6.1
55.01864	3.7
55.05510	19.1
57.03435	45.2
57.07052	3.7
65.03922	2.0
67.05505	27.4
69.03416	3.5
69.07066	10.1
69.39363	15.1
71.04982	9.2
79.05486	28.1
81.03413	71.2
81.06593	3.3
81.07052	40.6
83.04974	15.6
83.08618	29.8
85.02901	67.9
85.06525	4.2
89.16769	1.7
91.05478	41.2
93.07031	21.4
95.04959	39.6
95.08607	14.5
97.02882	4.1
97.06509	5.8
97.10152	4.4
97.27792	1.8
105.07032	25.1
107.04914	7.9
107.08601	9.6
109.06491	6.8
109.10116	7.3
111.04430	2.1
111.08073	15.6
113.05979	5.7
115.05431	3.0
117.06980	3.5
118.98716	1.7
119.08573	25.3
121.06494	1.8
121.10147	15.3
123.08028	5.0
123.11622	2.5
125.09630	2.3
129.06990	12.8
131.08580	13.3
133.10162	13.0
135.04424	25.5
137.09590	1.7
142.07745	4.4
145.10136	3.1
147.08009	3.7
147.11682	24.1
149.09607	8.8
156.66554	1.7
157.10110	19.4
162.42455	1.7
165.12729	5.0
175.11165	20.8
192.92728	1.8
193.12234	100.0
194.73642	1.8
201.42055	1.8
211.13287	66.3
222.96783	1.9
223.70477	1.8
229.09865	2.9
267.15836	5.1
268.10913	3.3
276.95593	1.9
285.03830	2.8
285.11224	7.2
285.16916	79.7
285.21982	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	285.0756
Annotation	(-)-Gancaonin K
Peak:m/z	Relative Intensity
53.03938	0.6
54.45397	0.2
55.01868	2.4
55.05502	0.6
62.12537	0.2
65.03925	0.8
67.05494	1.4
68.99778	1.9
69.03425	0.3
69.07056	0.8
70.76048	0.7
77.03872	0.3
79.05064	0.3
79.05489	4.9
81.03410	0.6
81.07063	1.5
83.04935	0.4
83.08616	0.4
85.06529	0.3
87.62892	0.2
89.03908	0.3
91.05476	1.5
93.03393	1.1
93.07061	1.1
95.04967	3.0
95.08594	1.2
97.02823	0.3
101.27032	0.2
103.05487	0.4
105.04492	0.3
105.07024	1.6
107.04948	5.0
107.08594	1.1
109.02853	0.3
109.06484	0.3
109.10132	1.1
111.04429	0.7
115.05484	0.2
116.98666	0.2
117.03355	0.6
117.06999	0.4
119.04938	0.6
119.08575	1.3
121.01987	0.3
121.02866	6.0
121.06433	0.4
121.10133	0.8
123.08080	0.2
123.11713	0.4
129.06973	0.5
131.08559	1.2
133.06508	1.5
133.10107	0.8
135.04404	11.9
135.08075	0.2
135.11624	0.4
137.05983	0.2
139.03876	0.3
141.01807	0.6
141.06978	1.0
143.08543	0.5
143.75681	0.2
145.02853	1.3
145.06477	0.7
145.10085	1.0
147.04395	6.2
147.11690	0.7
149.02225	0.3
149.13342	0.3
153.01788	0.3
155.08522	0.3
157.10114	1.0
159.07991	0.3
159.11676	1.0
161.05971	0.9
161.13202	0.4
162.54634	0.2
163.03906	14.4
164.04234	0.2
165.01794	1.8
165.06990	0.8
169.06462	1.8
169.10168	0.5
171.04424	0.5
171.11661	0.6
173.05850	0.5
173.13225	0.4
182.07246	0.3
183.02899	3.0
183.11681	0.5
185.13300	0.6
187.07582	0.5
187.14780	0.6
191.03381	100.0
192.03748	2.2
193.06494	0.6
197.05983	5.5
197.13280	0.5
199.14764	0.5
201.05493	1.6
201.12685	0.3
209.04437	0.4
210.06656	0.5
211.07437	0.4
215.06979	0.6
221.05916	1.0
225.05373	1.0
225.09019	1.4
225.12785	0.2
225.16393	0.3
227.18059	0.5
238.06354	0.5
243.06511	18.6
253.08542	3.3
257.08014	0.2
257.22906	0.2
266.29559	0.2
267.21106	1.6
268.11047	0.4
285.07556	9.3
285.11163	2.6
285.18591	0.3
285.22049	4.4
285.29718	0.3
286.07883	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0757
Annotation	(-)-Gancaonin K
Peak:m/z	Relative Intensity
51.02372	0.2
53.00331	0.3
53.03927	0.9
55.01866	2.5
55.05493	0.9
56.96558	1.2
57.03419	1.0
57.07070	0.3
61.02933	2.4
61.03234	0.4
63.00053	0.2
65.03940	0.6
67.05504	2.1
68.99786	2.5
69.03428	4.2
69.07046	0.9
70.79175	0.7
70.79539	0.3
71.04975	0.9
73.02906	0.9
74.84467	0.2
77.03926	0.3
79.01853	0.2
79.05488	9.5
81.03418	2.1
81.07040	2.1
83.01322	0.3
83.04974	0.6
83.08621	0.4
85.02900	20.1
85.06524	0.6
87.04448	0.7
89.03890	0.7
91.03955	1.5
91.05470	1.8
93.03394	0.6
93.07027	1.3
95.04966	3.7
95.08602	1.8
97.02876	4.9
97.06522	0.4
99.04423	0.7
105.03387	1.2
105.07027	2.0
107.04951	6.0
107.08571	1.2
109.02858	1.7
109.06489	0.4
109.10139	0.8
111.04433	1.0
111.08073	0.4
111.11703	0.3
115.05428	0.3
116.98640	0.5
117.03384	0.7
117.07001	0.5
119.04905	0.8
119.08562	1.7
121.02863	5.8
121.10136	0.8
123.04421	8.6
123.07985	0.3
123.11673	0.6
125.09599	0.4
127.03904	4.1
128.06200	0.3
129.07013	0.6
131.04913	0.4
131.08562	1.2
133.06476	1.1
133.10188	0.5
135.04408	12.9
135.11716	0.4
136.04665	0.3
139.03935	0.3
139.11076	0.3
141.01816	0.5
141.06995	0.9
143.08548	0.8
145.02859	1.6
145.04945	6.4
145.06250	0.4
145.06503	0.4
145.10120	1.3
146.03589	0.3
147.04395	6.9
147.11667	0.8
149.13278	0.3
151.03903	0.4
153.01747	1.4
155.08527	0.3
157.06517	0.3
157.10130	0.8
159.08003	0.4
159.11673	1.0
161.05936	0.6
161.13187	0.4
163.03894	14.8
163.06041	0.7
165.01819	1.5
165.06966	1.2
165.12779	0.3
169.06509	2.0
169.10175	0.5
171.04414	0.4
171.08026	0.9
171.11630	0.6
173.05969	0.5
173.09535	0.3
173.13188	0.6
183.02852	2.8
183.04300	0.3
183.11658	0.5
185.13245	0.3
187.07539	0.5
187.14832	0.4
189.16443	0.2
191.03378	100.0
192.03728	1.8
193.06451	0.6
193.12305	0.3
197.05969	5.2
197.13191	0.7
199.14763	0.4
201.05495	1.4
210.06699	0.8
211.02679	0.4
211.07555	0.5
211.14796	0.6
213.04391	0.5
213.16264	0.3
215.07104	0.5
219.06525	0.3
221.05997	0.7
221.15323	0.3
223.07419	0.2
225.05421	1.3
225.08981	1.5
225.16234	0.3
239.02217	1.6
239.07043	0.9
241.08551	0.3
242.05676	0.3
243.06514	17.6
244.06958	0.5
253.08557	2.8
257.03314	2.7
257.08188	0.5
262.03851	0.7
267.21060	1.6
268.10934	0.5
270.05261	0.4
280.04822	0.5
285.04269	0.3
285.07559	9.4
285.11182	3.0
285.18759	0.4
285.22083	4.6
285.29517	0.3
286.07797	0.3
308.71472	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0756
Annotation	(-)-Gancaonin K
Peak:m/z	Relative Intensity
51.10209	0.3
53.03949	0.4
53.40695	0.2
53.93975	0.2
55.01867	2.6
55.05501	0.6
56.96562	0.2
57.03420	0.3
65.03933	0.7
67.05491	1.3
68.99786	2.0
69.03415	0.6
69.07059	0.4
71.04967	0.5
71.10908	0.5
79.05492	3.4
80.69318	0.2
81.03415	1.5
81.07046	1.6
83.04945	0.6
85.02882	0.5
89.03899	0.3
91.05469	1.5
93.03405	0.7
93.07021	0.6
95.04960	2.9
95.08594	0.8
97.06520	0.3
105.07005	1.1
107.04948	5.5
107.08587	0.6
111.04436	0.9
111.08079	0.3
115.05485	0.4
117.03351	0.5
117.07080	0.3
119.04956	0.6
119.08580	0.8
121.02865	5.4
121.06526	0.4
121.10120	0.3
123.04432	0.4
123.11653	0.4
129.07018	0.4
131.08568	0.5
133.06473	1.1
135.04404	11.3
137.02351	0.3
141.01836	0.6
141.06981	0.8
145.02861	1.4
145.06447	0.5
145.10144	0.4
147.04407	5.9
147.11659	0.7
147.19380	0.3
151.03882	0.4
153.01802	0.4
153.05457	0.3
157.06496	0.4
157.10147	0.4
159.08044	0.3
159.11671	0.4
161.05965	0.7
162.06583	0.2
163.03899	14.1
165.01801	2.2
165.06947	0.4
169.06454	1.7
171.04402	0.5
171.11711	0.4
173.05934	0.6
175.10936	0.3
180.87326	0.3
183.02869	3.1
186.13597	0.3
191.03383	100.0
192.03758	1.5
193.06371	0.3
193.12317	1.2
195.92278	0.3
197.05972	4.7
199.14809	0.4
201.05495	1.5
201.59740	0.3
211.13200	0.3
215.07130	0.3
225.05461	0.7
225.09109	0.7
243.06526	16.7
247.09645	0.3
253.08653	1.3
267.06406	0.3
267.21112	0.3
268.10956	0.4
284.29553	0.3
285.03973	0.9
285.07599	8.3
285.11255	1.3
285.16891	0.3
285.18979	0.2
285.21869	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0989
Annotation	Isoguanosine
Peak:m/z	Relative Intensity
53.03929	0.1
55.01844	0.3
56.96553	0.5
57.03415	0.4
59.04994	0.3
60.60357	0.1
61.02929	0.3
63.13788	0.1
69.03416	0.6
69.07048	0.1
70.06588	0.3
70.19028	0.6
71.01332	0.2
73.02892	0.5
73.70348	0.1
74.45033	0.1
81.03396	0.2
83.04959	0.1
85.02904	1.0
87.04458	0.4
89.06005	0.1
91.03938	0.2
97.02884	0.7
98.97588	0.5
105.05500	0.3
109.02854	0.4
109.05121	0.3
110.03519	1.7
115.04003	0.2
116.98601	0.3
117.10598	0.1
119.01921	0.2
126.68196	0.1
127.03904	0.4
128.04578	1.2
128.98611	0.2
134.04579	0.2
134.99654	0.2
135.03020	2.3
136.01436	0.2
136.06161	0.2
136.07527	0.2
137.02988	0.2
139.03935	0.1
145.04964	0.3
152.05669	100.0
153.01889	0.4
153.04071	7.9
153.06049	0.4
154.02438	0.2
170.05144	0.2
173.02922	0.2
177.04211	0.1
196.54613	0.1
219.01778	0.2
237.02809	0.3
261.02737	0.2
284.11163	0.2
284.29611	0.3
302.01913	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54149	4.2
55.01867	5.3
56.96572	10.3
57.03451	8.6
59.05016	4.4
61.02927	10.3
62.60798	3.9
67.44010	3.8
69.03423	18.6
70.06586	18.6
70.07928	15.9
73.02911	11.2
76.02218	5.5
78.12810	3.8
81.03397	10.9
85.02904	43.3
87.04472	8.9
95.06091	4.2
96.72444	3.9
97.02890	19.6
98.97614	7.5
102.96912	6.7
105.05524	6.0
109.02885	6.5
110.07153	4.6
112.07607	10.3
116.98625	8.6
117.01905	3.8
119.01900	5.0
122.02679	9.0
123.04482	4.4
127.03919	15.2
128.04179	4.0
129.68794	3.8
131.01817	5.2
135.03043	4.1
138.05518	6.3
139.03981	4.5
145.04956	8.6
146.02719	5.3
152.05676	100.0
153.01852	13.1
153.04083	5.4
155.06982	3.8
162.05478	5.1
170.56053	5.3
170.99640	5.1
178.09827	6.1
184.55167	7.6
193.55609	9.3
194.06197	4.6
202.57352	6.1
219.01749	7.1
237.02835	5.4
266.07535	9.1
271.94547	4.1
284.05243	7.9
284.08133	8.8
284.11386	9.2
284.29373	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	283.2053
Annotation	11-cis-Dehydroretinal
Peak:m/z	Relative Intensity
55.05263	0.8
55.05507	8.5
57.07057	2.8
67.05483	3.2
67.44470	0.7
69.07064	14.0
70.54271	1.9
70.54615	1.3
73.13914	0.6
79.05490	1.7
81.07051	4.7
83.04956	1.1
83.08611	4.4
89.06033	1.1
90.39494	0.6
91.05476	1.5
93.07053	4.6
95.08588	4.3
97.10153	3.8
105.07019	2.5
107.04914	0.7
107.08591	2.7
109.10132	3.7
117.07018	0.8
119.08562	3.1
121.06487	1.6
121.10123	3.0
123.11693	4.5
128.06241	1.3
129.06976	1.2
131.08530	2.8
133.10118	1.5
135.11670	2.9
141.06929	1.1
142.07755	1.1
143.08577	2.1
145.06416	2.1
145.10095	2.0
146.07198	1.3
147.08025	10.8
147.11633	1.8
149.09612	0.8
155.08551	1.2
156.09288	1.5
157.10130	2.4
158.07266	3.0
159.08054	5.3
159.11702	0.8
161.09618	12.3
163.11165	0.8
169.06458	1.1
170.07150	1.9
171.08063	4.3
171.11653	1.1
172.08774	1.6
173.09605	12.2
175.11160	7.7
181.10060	1.0
183.08011	1.4
184.08833	8.5
185.09596	15.3
186.10419	1.3
187.11186	15.7
187.14713	0.8
189.12727	1.4
197.09573	1.5
197.13275	0.8
198.10422	4.5
199.11166	35.3
200.11658	0.9
201.12730	9.0
209.13239	0.9
211.11159	1.0
212.11980	1.6
213.12738	20.4
215.14250	2.0
225.12852	1.2
227.14284	11.0
240.15042	1.6
241.15871	4.9
265.19379	1.0
283.20538	100.0
284.20862	3.6
284.29614	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2052
Annotation	11-cis-Dehydroretinal
Peak:m/z	Relative Intensity
53.18817	0.3
55.05513	8.6
55.11188	0.3
57.07079	2.2
67.05508	2.3
69.07065	13.9
70.91802	0.8
79.05487	1.6
79.26596	0.4
81.07051	4.6
83.08614	5.5
90.52867	0.4
91.05469	1.3
92.74511	0.4
93.07032	2.1
95.08602	2.6
97.10167	3.4
105.07012	1.5
105.20993	0.5
107.08588	1.4
109.10158	3.7
117.06992	0.9
119.08562	2.1
121.06494	1.4
121.10114	1.5
123.11694	6.9
128.06212	0.8
129.06992	1.1
130.07808	0.5
131.04941	0.7
131.08519	1.2
132.05663	0.5
133.10135	0.6
135.08011	0.6
135.11687	1.7
137.13242	0.7
142.07692	0.5
143.08575	1.4
144.05717	0.5
145.06487	2.1
145.10083	1.5
146.07236	1.4
147.08038	16.0
149.09610	1.2
154.07658	0.4
155.08533	1.1
156.09348	0.8
157.06526	0.4
157.10135	1.7
158.07265	4.0
159.08040	6.5
159.11636	0.9
160.08827	0.9
161.02948	0.5
161.08286	0.7
161.09608	12.9
165.06999	0.6
169.06509	1.3
170.07216	2.0
171.08044	6.8
171.11688	0.7
172.08826	1.8
173.09625	12.8
175.11157	6.8
181.10117	0.6
183.08083	1.5
184.08847	9.1
185.09602	15.0
185.13266	0.7
186.10370	1.4
187.11174	18.4
189.12665	1.3
197.09592	1.9
198.10376	5.7
199.11169	36.1
200.11678	1.5
201.12730	9.2
205.73187	0.4
211.11136	0.7
212.11946	1.3
213.12727	20.6
214.13434	1.0
215.14255	2.1
225.12773	0.7
227.14301	10.8
239.14314	0.9
240.15079	1.4
241.15837	5.4
274.39426	0.4
283.20551	100.0
284.20804	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2054
Annotation	11-cis-Dehydroretinal
Peak:m/z	Relative Intensity
53.03928	1.0
55.05271	0.7
55.05508	11.2
56.96536	2.0
57.03429	1.0
57.07069	4.6
67.05181	0.6
67.05499	7.6
69.03394	1.4
69.07063	16.6
70.73701	1.4
70.74022	1.0
71.04960	1.3
71.97407	0.7
79.05482	5.3
81.03411	1.0
81.07050	11.2
81.69163	0.7
83.01320	0.7
83.04954	2.5
83.08619	7.3
85.02886	1.4
91.05491	4.3
93.07050	7.5
95.04948	1.8
95.08600	9.6
96.12817	0.7
97.06491	1.6
97.10133	4.4
98.97590	0.9
104.71510	0.7
105.07009	6.2
107.04932	2.5
107.08588	5.7
109.02846	0.7
109.06478	1.5
109.10151	6.3
111.04412	1.8
111.08073	1.2
116.55189	0.7
116.98609	1.0
117.06993	2.3
119.08569	6.6
121.02867	5.8
121.06514	3.6
121.10152	3.8
123.04429	1.1
123.08096	1.1
123.11693	8.4
129.06963	2.1
130.07755	0.9
131.08545	4.1
131.32875	0.8
133.06424	0.8
133.10112	2.0
135.08028	1.7
135.11676	3.3
137.13223	1.1
138.48499	0.7
139.03903	1.4
141.06967	1.9
142.07765	1.1
143.08589	3.3
144.05675	1.2
145.06488	3.0
145.10100	5.1
146.07237	1.0
147.08037	23.0
147.11713	1.2
149.09590	1.8
149.13202	1.3
152.06165	0.7
153.06953	0.9
153.12675	0.8
155.08546	1.4
156.09399	1.5
157.10106	3.6
158.07285	5.5
159.08035	9.1
159.11697	2.1
160.08794	1.3
161.09601	13.8
163.11151	2.2
165.07016	1.1
167.08513	0.9
169.06432	0.8
169.10136	1.2
170.07225	1.3
171.08041	7.2
171.11641	2.2
172.08740	3.8
173.09607	15.6
175.11182	8.3
177.00636	1.0
181.10152	1.6
181.12193	0.8
183.07977	3.0
183.11638	0.9
184.08832	8.1
185.09589	14.7
185.13229	1.4
186.10356	1.1
187.11168	31.5
189.12675	1.8
195.08006	0.9
195.11670	1.4
197.09589	1.3
197.13281	0.9
198.10374	6.3
199.11163	36.0
200.11620	1.2
201.12721	10.3
203.14275	1.3
209.11584	0.9
209.13403	1.1
211.11177	1.5
212.12030	0.9
213.12724	24.4
214.13239	1.3
215.14270	1.9
215.96262	0.6
225.12805	0.9
227.12524	1.2
227.14357	12.1
239.14363	1.0
240.15002	0.9
241.15846	5.7
255.17392	0.7
265.19220	1.1
283.09665	3.2
283.15961	4.7
283.20532	100.0
284.20932	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	283.2056
Annotation	11-cis-Dehydroretinal
Peak:m/z	Relative Intensity
53.03932	2.6
55.01845	1.8
55.05508	12.5
56.96556	2.9
57.03436	1.8
57.07063	3.5
65.03922	2.3
67.05495	11.5
69.03414	5.8
69.06720	1.8
69.07063	22.4
71.04979	2.8
71.08605	3.9
71.59159	1.7
79.05494	7.9
81.03400	5.2
81.07053	20.6
83.04984	3.3
83.08621	10.1
85.02906	8.3
85.06514	2.9
88.98657	1.2
91.05457	7.2
93.07037	11.8
93.29660	1.1
95.04961	8.1
95.08600	16.9
97.02876	2.9
97.06547	2.6
97.10139	8.0
98.97572	2.8
99.04457	1.5
99.08063	3.5
101.05990	1.4
101.57741	1.2
105.07023	10.4
107.04942	2.7
107.08577	10.4
109.02863	3.8
109.06474	2.3
109.10133	9.6
111.04430	4.6
111.08102	2.1
111.11703	2.6
113.09689	1.1
114.05621	1.2
116.98626	2.3
117.06979	3.6
119.08572	11.0
119.76530	1.2
121.02863	98.9
121.06517	2.2
121.10117	8.9
122.03189	2.3
123.08047	2.6
123.11669	8.1
125.09573	1.5
127.03869	1.9
129.06964	3.3
131.08572	5.6
133.10104	7.7
134.99643	1.1
135.08035	2.0
135.11697	5.9
137.13147	1.3
139.03882	7.6
141.06958	2.0
142.07756	2.4
143.08560	5.2
145.06490	3.2
145.10080	7.9
146.07245	1.3
147.08034	17.1
147.11693	4.6
149.09599	2.3
149.13264	5.1
151.14851	1.4
153.01855	2.0
153.12659	1.4
155.08600	2.4
156.09393	2.2
157.10164	3.3
158.07277	3.8
159.08064	6.0
159.11674	5.6
161.09592	11.9
161.13135	2.8
163.11252	2.2
163.14847	2.5
165.07042	1.9
167.07164	1.4
167.08586	1.9
169.06468	2.0
171.08022	6.7
171.11784	2.6
172.08777	3.4
173.09587	13.0
173.13280	3.5
175.11186	9.0
175.14818	2.1
181.10062	3.0
183.08038	1.5
183.11659	3.2
184.08839	7.9
185.09641	11.6
185.13120	2.0
187.11188	18.5
187.14813	2.4
189.12798	1.5
195.08087	1.8
197.09612	1.9
197.13240	2.2
198.10388	5.4
199.11168	31.9
199.14867	1.8
201.12721	10.2
201.16374	2.4
209.13318	2.7
212.11989	2.0
213.12723	17.7
213.16301	2.6
225.12744	2.0
225.16479	1.5
227.14328	10.2
227.17975	1.7
229.19455	1.6
241.15883	5.3
247.20561	1.6
247.24136	1.8
255.10101	1.3
265.06995	3.0
265.19531	2.3
265.21985	2.0
283.09982	7.5
283.20563	100.0
283.24020	10.2
284.20834	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	283.2055
Annotation	11-cis-Dehydroretinal
Peak:m/z	Relative Intensity
53.03940	1.3
55.01857	2.2
55.05506	14.1
56.96553	1.3
57.03416	3.9
57.07074	27.7
59.04988	1.5
67.05502	13.0
69.03427	2.2
69.07063	23.8
70.09066	4.7
71.04991	2.8
71.08609	2.1
78.00153	1.1
79.05489	9.5
80.05778	1.1
81.03408	3.3
81.07050	22.3
83.04960	4.4
83.08620	11.9
85.02882	2.1
89.06045	1.7
91.05482	8.7
93.07038	15.0
95.04935	3.5
95.08597	19.8
97.02854	1.6
97.06506	1.8
97.10184	5.9
98.97595	1.5
99.11726	2.4
105.07034	9.6
107.04945	3.1
107.08600	10.8
109.02843	1.9
109.06477	2.6
109.10146	13.1
111.04413	1.9
116.98571	2.6
117.06974	4.3
119.04915	2.9
119.08551	8.3
121.02864	5.4
121.06469	4.3
121.10140	8.8
123.07999	2.6
123.11698	12.5
125.09623	1.9
127.11137	1.4
128.06206	1.2
129.06993	2.8
131.08560	6.8
133.10118	7.2
134.99622	2.5
135.08023	2.5
135.11685	7.1
137.09660	1.4
137.13222	2.4
143.08517	3.1
145.06461	4.1
145.10117	10.4
147.08047	21.1
147.11636	3.2
149.05916	1.2
149.09592	2.4
149.13237	3.2
153.06949	1.7
153.12723	1.4
155.08543	2.1
157.06526	1.5
157.10123	3.7
158.07269	5.4
159.08029	8.5
159.11690	3.0
161.09610	13.6
163.11163	7.6
165.07076	1.7
166.07719	1.1
167.08495	1.6
169.10181	2.2
170.07294	1.8
171.08028	8.5
171.11655	2.5
172.08786	3.8
173.09615	15.7
175.11162	7.4
177.16417	1.4
181.10149	1.5
181.12187	2.6
183.08064	1.4
184.08849	9.1
185.09622	13.6
185.13133	1.5
186.10327	1.4
187.11180	28.8
189.12692	2.4
191.08473	1.2
191.10657	1.0
195.11710	1.3
196.62538	1.4
197.09575	2.1
197.13110	1.6
198.10445	5.8
199.11162	35.4
200.11661	1.6
201.12750	12.2
209.11720	2.1
213.12733	24.4
215.14198	2.9
219.20953	1.1
225.12746	1.6
227.12662	3.9
227.14566	10.4
240.15192	2.2
241.12288	1.4
241.15863	5.7
247.24245	1.2
251.06992	1.1
255.21162	1.4
265.19220	1.3
265.21655	4.4
265.25253	1.4
278.29373	1.2
283.09787	5.9
283.15341	6.2
283.20541	100.0
284.20731	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	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.2
55.01870	4.8
55.05511	12.5
57.03436	9.8
57.07049	2.2
62.77169	0.8
63.62873	1.1
65.03913	1.0
67.05180	1.0
67.05501	15.9
68.88840	1.1
69.03421	1.5
69.07059	7.7
69.94476	3.5
69.94896	2.2
71.04959	2.7
79.05484	25.6
81.03391	3.2
81.06589	1.3
81.07050	18.0
83.04958	5.2
83.08212	0.9
83.08621	8.7
85.06516	1.0
89.05997	1.3
91.05477	8.5
93.07040	32.9
94.76036	0.8
95.04968	6.7
95.08599	38.2
96.00578	0.9
97.02868	4.4
97.06517	3.8
97.10177	1.3
98.21544	1.3
99.04462	4.6
105.07030	7.5
107.04943	9.8
107.08589	24.1
109.06492	2.9
109.10130	3.0
111.04443	1.2
111.08076	2.0
117.07006	8.8
119.07793	1.2
119.08577	12.7
121.02960	0.9
121.06510	6.3
121.10133	11.6
125.05958	3.5
130.07782	2.8
131.08507	1.6
133.10101	3.8
135.08035	2.4
135.11679	41.7
139.07477	1.7
143.08540	2.2
145.06395	1.4
145.10117	27.1
153.12688	1.4
159.11650	1.3
161.72993	0.9
163.11166	57.1
164.11453	1.0
173.09605	2.1
181.12209	13.0
209.11665	2.3
227.12767	100.0
228.13029	1.9
255.95369	0.9
283.15350	37.2
283.20517	2.6
283.23953	5.8
284.15561	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01942	1.8
53.03946	1.9
53.17184	2.1
55.01852	6.2
55.05511	9.8
57.03442	12.3
57.07064	5.0
67.05506	17.2
69.03427	2.1
69.07050	8.8
71.04973	4.8
71.60051	2.6
79.05489	28.4
81.03413	2.8
81.07054	22.3
83.04957	7.0
83.08601	7.8
89.06001	3.8
91.05470	8.1
93.07038	31.7
95.04953	7.0
95.08601	35.9
97.02879	4.5
97.06522	4.2
97.10143	2.1
99.04414	3.2
104.42238	1.9
105.07018	8.8
107.04935	9.3
107.07937	2.9
107.08598	23.9
109.06488	3.4
109.10153	4.5
111.04417	3.9
114.96101	2.9
117.07013	10.2
119.08548	7.7
121.06496	4.3
121.10152	13.3
125.05968	3.0
131.08495	3.0
133.10138	4.1
135.08044	2.7
135.11688	41.6
139.07506	3.1
143.08557	3.4
145.10127	29.6
153.12730	3.6
155.08560	2.6
157.10103	2.7
163.11179	61.6
171.02310	2.4
173.13225	2.3
181.12244	15.0
191.10649	2.8
199.92644	2.0
209.11749	2.7
227.12775	100.0
283.15332	41.0
283.20520	6.8
283.24097	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	283.1538
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
50.13689	1.8
53.03930	3.1
55.01869	23.2
55.05508	40.7
57.03432	39.7
57.07050	6.5
59.04983	5.8
67.05500	24.6
69.03403	3.6
69.07062	10.4
70.65343	1.7
71.04964	7.0
79.05074	2.1
79.05489	38.6
81.03407	20.3
81.06587	2.0
81.07053	39.1
83.01333	24.0
83.04559	2.2
83.04979	30.5
83.08616	27.1
84.29160	2.1
85.02881	7.9
85.06505	2.0
91.05466	21.8
93.06485	2.8
93.07038	47.3
95.04977	12.5
95.08598	19.0
97.02863	4.8
97.06496	8.5
97.10136	4.4
99.04420	4.0
103.05448	2.4
105.07035	21.5
107.04947	13.8
107.08578	25.1
108.85811	1.8
109.06508	16.2
109.10130	5.2
111.04427	5.6
111.08051	5.4
117.07005	17.3
119.07772	2.6
119.08557	22.1
121.02872	2.3
121.06490	9.7
121.10139	22.0
123.08054	17.0
125.05981	3.5
125.09582	3.5
129.06981	2.6
130.07729	2.7
131.08585	10.3
131.09378	2.0
133.10074	5.4
135.08040	4.4
135.11676	31.2
137.09575	2.5
143.08504	2.5
145.06438	3.0
145.10114	36.7
145.69588	1.8
147.08026	5.4
147.11655	6.2
149.09514	3.2
153.12729	9.3
155.08488	4.0
163.11172	65.5
164.11438	1.8
164.68155	1.7
171.46678	2.2
173.09575	7.8
181.12267	10.9
191.10623	7.5
209.11690	17.9
212.15918	3.2
225.16376	2.3
227.12737	15.9
229.16283	2.3
283.15317	100.0
283.20520	6.2
283.23978	5.2
300.93463	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1538
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03926	3.9
55.01627	2.1
55.01872	27.8
55.05511	46.4
57.03196	2.9
57.03434	40.6
57.07066	3.8
59.04980	8.5
62.05719	1.9
67.05508	29.0
69.07070	11.1
71.04998	10.3
71.08611	2.1
71.35532	2.9
71.35857	3.7
79.05064	3.0
79.05489	43.6
81.03423	20.8
81.06596	2.6
81.07053	43.0
83.01344	27.0
83.04982	30.0
83.08608	22.9
85.02879	7.1
89.06003	2.9
91.05477	25.3
93.06479	3.6
93.07040	53.3
95.04978	15.6
95.08604	18.6
97.02871	4.1
97.06522	13.1
97.10150	4.6
99.04436	7.3
103.05429	2.6
105.07031	21.5
105.51529	1.9
107.04947	13.2
107.08590	24.5
109.06509	15.4
109.10125	6.7
111.04434	6.6
111.08099	2.7
117.07010	17.4
119.08566	20.1
121.06483	10.8
121.10150	19.9
123.08051	19.4
125.05978	5.5
125.09587	4.0
129.06944	4.3
131.08577	9.7
133.10075	3.0
135.08028	5.6
135.11690	31.6
145.06497	3.4
145.09041	3.1
145.10117	38.7
147.08110	3.8
147.11618	2.3
153.12737	9.9
155.08498	4.2
163.09843	3.9
163.11174	68.5
173.09595	8.3
181.12265	11.5
182.02380	1.9
191.10686	7.5
209.11736	23.0
219.62576	2.2
227.12680	12.0
244.46916	1.9
254.23750	2.2
283.15356	100.0
283.20572	7.0
283.23856	3.8
284.15610	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33783	2.0
53.03934	4.3
55.01625	2.2
55.01870	27.8
55.05507	43.5
57.03150	2.4
57.03436	35.6
57.07055	5.5
59.04985	7.9
62.41237	2.1
65.03936	2.0
67.05505	31.8
69.03440	2.5
69.07059	12.4
69.49646	18.3
71.04981	8.9
79.05059	3.0
79.05491	35.8
81.03413	24.0
81.07053	42.4
83.01333	26.9
83.04976	28.4
83.08615	28.1
85.02912	6.6
85.06525	3.1
89.06018	2.6
91.05476	28.6
93.07038	53.5
95.04965	13.9
95.08600	19.3
97.02898	3.9
97.06507	12.6
97.10178	5.0
98.21487	2.9
99.04456	4.0
105.07031	15.1
107.04954	12.2
107.08590	25.5
109.06505	13.7
109.10126	7.4
110.65522	2.2
111.04436	9.5
111.08047	7.1
117.07008	13.2
119.08572	17.3
121.06485	6.3
121.10159	16.0
123.08062	15.9
123.11729	2.4
125.05964	2.9
125.09617	4.1
129.06955	4.7
130.07797	4.1
131.08557	7.2
133.10126	5.0
135.08055	3.3
135.11685	27.5
137.09648	3.6
137.38469	2.0
145.10101	35.4
147.08034	4.5
149.09518	2.8
153.12717	9.7
155.08517	4.3
163.11176	60.6
173.09619	6.7
181.12260	15.4
185.20128	2.2
191.10658	8.6
209.11714	19.4
227.12746	14.0
257.01208	2.1
278.20547	2.1
283.15384	100.0
283.24066	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	283.1538
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
55.01868	19.5
55.05289	3.3
55.05508	31.9
57.03425	26.1
57.07065	5.0
59.04996	3.1
62.73930	3.0
66.68926	3.6
67.05502	30.1
69.07063	15.1
71.04984	4.2
71.08613	3.5
79.05493	25.7
81.03405	15.1
81.07060	34.2
83.01321	14.9
83.04989	19.4
83.08612	21.1
85.02877	5.0
91.05479	22.8
93.07028	36.0
95.04949	11.6
95.08598	22.5
97.06507	11.4
97.10101	4.8
99.04440	7.5
105.07032	15.2
107.04952	14.6
107.08574	25.7
109.06500	10.7
109.10139	6.2
111.04410	7.3
111.08088	4.8
117.07003	10.1
119.08582	22.4
121.06481	6.6
121.10130	14.6
123.08075	16.1
125.95821	2.9
131.08578	4.3
133.10126	5.3
135.08090	5.1
135.11693	25.4
139.11115	3.7
145.10117	33.9
147.11725	3.6
149.09630	4.3
153.12703	9.5
159.11807	5.2
163.11159	51.0
173.09639	8.7
181.12297	7.2
188.67194	3.1
190.96132	3.2
191.10666	7.8
209.11731	13.8
227.12769	12.6
244.77763	3.1
263.85275	4.4
283.15359	100.0
283.20407	6.4
283.24084	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20685	1.0
53.03934	1.7
55.01863	2.1
57.03434	6.6
59.91197	0.8
61.02924	10.9
66.96642	0.9
69.03426	17.7
70.94304	2.4
71.04996	2.5
73.02911	4.5
75.30559	0.9
81.03418	6.2
83.01357	1.2
85.02901	100.0
85.06538	27.4
85.06920	0.7
87.04454	2.5
91.03951	10.7
92.65506	0.9
95.08544	1.0
97.02890	22.7
98.21377	1.1
99.04472	4.4
103.07591	2.0
109.02897	6.1
115.03965	1.5
125.02338	1.0
127.03913	28.1
143.03433	0.9
145.04953	60.6
153.01826	9.8
161.01202	1.9
162.25514	1.0
163.06020	20.5
180.08630	2.2
200.76361	1.0
211.09567	1.0
229.10681	8.1
291.03864	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2838
Annotation	6,10,14-Trimethyl-2-methylenepentadecanal
Peak:m/z	Relative Intensity
53.03934	2.8
55.01847	3.1
55.05509	47.6
56.96555	5.9
57.03437	2.2
57.07075	63.7
59.04994	1.4
61.02915	4.2
65.03927	1.8
66.23038	1.2
67.05172	2.2
67.05503	33.7
69.03438	11.0
69.07066	100.0
71.04985	3.3
71.08630	48.8
71.12622	3.1
71.12951	1.7
71.32658	1.2
73.02912	1.9
79.05492	9.9
81.03410	3.4
81.07055	93.2
82.07390	1.4
82.24598	1.1
83.04953	1.5
83.08616	67.1
85.02420	2.0
85.02900	24.7
85.06533	13.4
85.10181	21.7
87.04456	2.7
91.03938	2.2
91.05470	4.1
93.07030	5.8
95.04957	1.8
95.08602	88.8
95.42778	1.3
96.08935	1.5
97.02892	8.7
97.10171	52.4
98.10529	1.4
98.97584	3.4
99.04474	2.4
99.08074	10.6
99.11719	3.6
100.70110	1.3
105.07015	3.0
107.08575	4.6
109.02896	3.3
109.10152	57.5
109.10909	2.9
111.11717	36.8
113.09630	3.9
113.13255	1.6
116.98605	3.6
119.08575	2.3
121.10136	2.7
123.11700	35.7
124.12087	1.6
125.13270	14.9
127.03901	6.5
128.98659	1.7
129.12729	1.7
131.08551	1.8
133.06430	1.3
133.10106	2.4
134.99605	2.4
135.11612	1.7
137.13245	18.9
139.14792	4.4
145.04939	4.1
149.02332	1.5
150.02663	1.8
151.02820	3.3
151.14799	9.3
153.16411	2.3
155.14383	1.6
159.11775	1.6
165.16357	4.1
169.10115	2.4
171.17430	1.7
177.00723	2.3
179.17920	3.7
185.13150	2.1
189.05508	1.6
193.19530	3.9
199.20612	1.4
207.11595	1.5
207.21126	4.1
211.11052	2.5
219.01805	1.8
221.08200	1.8
222.13814	1.7
225.12822	2.5
237.02948	1.4
242.22278	1.3
263.16354	2.6
263.27405	9.5
272.14560	3.2
281.19312	8.8
281.28375	63.2
282.28601	3.6
299.06155	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	281.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.01847	3.1
55.05509	47.6
56.96555	5.9
57.03437	2.2
57.07075	63.7
59.04994	1.4
61.02915	4.2
65.03927	1.8
66.23038	1.2
67.05172	2.2
67.05503	33.7
69.03438	11.0
69.07066	100.0
71.04985	3.3
71.08630	48.8
71.12622	3.1
71.12951	1.7
71.32658	1.2
73.02912	1.9
79.05492	9.9
81.03410	3.4
81.07055	93.2
82.07390	1.4
82.24598	1.1
83.04953	1.5
83.08616	67.1
85.02420	2.0
85.02900	24.7
85.06533	13.4
85.10181	21.7
87.04456	2.7
91.03938	2.2
91.05470	4.1
93.07030	5.8
95.04957	1.8
95.08602	88.8
95.42778	1.3
96.08935	1.5
97.02892	8.7
97.10171	52.4
98.10529	1.4
98.97584	3.4
99.04474	2.4
99.08074	10.6
99.11719	3.6
100.70110	1.3
105.07015	3.0
107.08575	4.6
109.02896	3.3
109.10152	57.5
109.10909	2.9
111.11717	36.8
113.09630	3.9
113.13255	1.6
116.98605	3.6
119.08575	2.3
121.10136	2.7
123.11700	35.7
124.12087	1.6
125.13270	14.9
127.03901	6.5
128.98659	1.7
129.12729	1.7
131.08551	1.8
133.06430	1.3
133.10106	2.4
134.99605	2.4
135.11612	1.7
137.13245	18.9
139.14792	4.4
145.04939	4.1
149.02332	1.5
150.02663	1.8
151.02820	3.3
151.14799	9.3
153.16411	2.3
155.14383	1.6
159.11775	1.6
165.16357	4.1
169.10115	2.4
171.17430	1.7
177.00723	2.3
179.17920	3.7
185.13150	2.1
189.05508	1.6
193.19530	3.9
199.20612	1.4
207.11595	1.5
207.21126	4.1
211.11052	2.5
219.01805	1.8
221.08200	1.8
222.13814	1.7
225.12822	2.5
237.02948	1.4
242.22278	1.3
263.16354	2.6
263.27405	9.5
272.14560	3.2
281.19312	8.8
281.28375	63.2
282.28601	3.6
299.06155	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	281.1746
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
52.00652	1.5
53.03928	7.4
55.01851	4.2
55.05270	2.6
55.05505	36.1
56.96535	2.3
57.03433	30.6
57.07043	4.4
65.03909	4.8
67.05501	83.8
69.03416	2.9
69.07059	21.2
69.52913	4.4
69.53331	10.4
70.09235	1.5
71.04974	5.2
71.08601	2.7
72.59469	1.7
79.05486	100.0
81.03413	17.5
81.07049	76.1
83.04477	2.4
83.04971	48.0
83.08615	12.4
85.02896	1.9
85.06501	6.6
91.05468	77.0
93.07034	80.6
93.07623	4.1
95.04961	34.1
95.08599	52.5
97.02868	3.6
97.06483	7.5
97.10145	8.1
98.97535	2.9
99.08051	2.9
100.78171	1.9
103.05440	2.1
105.04473	2.0
105.07020	55.1
107.04952	11.5
107.08578	30.1
109.06508	9.2
109.10163	14.0
111.04362	2.9
111.08059	2.0
113.09627	1.9
115.95743	1.7
116.98576	4.3
117.06985	10.0
119.08578	35.5
119.09402	1.6
121.06473	5.5
121.10105	9.2
123.08080	9.3
123.11663	2.8
127.03831	2.1
127.07533	2.9
128.06187	4.3
129.07005	18.9
129.58316	1.9
130.07768	1.9
131.08505	7.2
133.06474	2.4
133.10123	15.9
134.99608	1.6
135.08031	2.5
135.11638	6.1
137.13196	2.5
139.07501	1.8
141.06909	2.5
141.08911	2.6
143.08560	12.3
144.02513	1.6
145.10100	16.0
147.07968	5.5
147.11664	42.4
149.02211	2.4
149.13240	1.7
150.02605	2.5
151.02760	3.2
151.11148	2.5
151.14691	1.8
153.03783	1.5
159.11649	3.4
161.09573	5.2
161.13243	20.9
163.11176	1.6
169.10014	2.4
171.10260	2.3
171.11667	37.1
173.09431	2.0
175.11179	1.6
177.00659	2.1
179.14403	1.8
181.04929	1.5
188.09409	2.1
189.12753	12.1
207.13713	22.5
211.11064	2.6
260.11609	5.5
263.19986	4.2
263.23370	2.8
281.17386	64.0
281.21042	2.9
281.28003	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	281.1746
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03955	9.6
54.75698	1.7
55.01859	6.3
55.05268	3.0
55.05512	38.8
56.96560	4.2
57.03196	2.5
57.03436	32.3
57.07063	5.3
59.04994	3.0
64.30410	1.8
65.03926	5.5
67.05503	93.4
69.03432	8.9
69.07063	26.2
71.04993	9.3
73.06501	1.9
78.28745	1.6
79.05491	100.0
81.03411	17.9
81.07054	75.5
83.04474	2.6
83.04977	40.7
83.08617	13.9
85.02902	11.8
85.06528	5.0
91.04895	3.0
91.05475	71.4
93.07041	76.2
94.33588	2.0
95.04443	2.5
95.04971	32.2
95.08601	55.0
97.02882	5.8
97.06517	12.7
97.10140	8.1
98.97559	2.9
99.04439	3.1
99.08036	2.0
101.05943	2.0
103.05434	2.9
105.07024	56.7
107.04958	10.9
107.08583	44.6
109.06507	11.8
109.10170	13.5
111.04435	3.4
111.08063	3.6
113.06019	2.0
115.05423	2.4
116.98606	3.0
117.07011	14.7
119.04951	5.4
119.07808	3.7
119.08581	57.5
121.06497	7.4
121.10146	20.2
121.37404	1.8
122.70665	2.1
123.08080	10.9
123.11689	6.1
125.05980	2.5
125.09587	3.0
127.03921	2.6
127.07507	4.3
128.06129	2.3
129.05499	3.1
129.07001	19.5
131.08542	4.9
133.06435	4.2
133.10120	38.6
135.08052	10.5
135.11653	7.7
137.13382	3.2
143.08562	14.2
145.10114	17.4
147.08017	8.2
147.11693	48.5
149.02261	2.5
149.09584	3.7
149.13220	2.3
150.02679	3.0
151.02756	3.7
153.09146	2.2
157.10098	6.4
159.11653	2.5
161.09610	23.6
161.13245	31.6
163.11214	5.5
165.01326	1.8
165.09125	3.2
168.19511	2.1
169.10139	2.3
171.11688	40.0
175.07555	2.0
175.11174	8.2
175.14799	5.2
177.00612	2.7
177.12697	2.6
179.10617	2.2
185.13231	4.5
187.11169	2.0
189.12749	15.7
193.12109	3.0
195.11629	2.0
203.10657	4.1
203.14317	5.1
205.93260	1.8
207.11862	3.5
207.13747	18.8
217.15773	4.7
219.17413	7.7
221.11659	3.5
221.15276	6.0
235.16891	4.9
237.02666	2.6
245.15392	9.4
248.60925	3.0
263.16348	17.2
281.17429	95.0
282.17648	2.3
299.05988	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1384
Annotation	Phaseic acid
Peak:m/z	Relative Intensity
53.04501	1.8
55.05514	4.0
57.07077	30.2
59.18153	2.3
63.04494	10.2
69.03435	16.0
69.07077	2.9
71.04960	2.1
71.59483	3.2
73.57524	1.9
79.05496	3.7
81.03410	7.0
81.07049	4.4
85.02925	13.1
91.03133	1.8
91.05469	12.8
93.07050	7.0
95.04965	3.8
95.08596	2.8
97.02869	3.6
105.07040	16.8
107.04979	3.5
107.08609	14.2
109.06517	6.0
114.00819	2.3
114.68589	2.1
115.05459	2.1
117.07007	6.3
119.04893	3.4
119.08585	17.9
119.10690	30.7
121.06444	3.3
121.10152	2.9
123.08049	3.3
127.03938	5.4
129.07008	8.8
130.77705	2.0
131.08560	13.8
133.06485	18.4
133.10133	9.6
135.08052	7.5
137.05911	3.6
142.07794	20.0
143.08528	5.1
144.05678	2.5
145.10095	19.1
147.04367	2.1
147.08054	4.9
147.11665	9.7
151.07547	2.8
155.08517	4.9
157.10129	30.0
158.07269	3.5
159.08064	26.0
159.11685	6.5
160.08841	3.4
161.09653	7.6
163.07571	6.7
167.08559	2.6
170.07217	5.3
173.09616	10.7
175.07558	2.9
175.11186	42.8
179.07043	2.9
185.09608	46.4
187.07568	16.3
191.10709	10.1
193.12277	7.2
201.09084	2.5
203.10664	62.9
207.06522	10.5
207.10193	5.8
207.23163	2.1
213.09174	9.1
219.10172	100.0
221.11748	37.0
231.10162	33.7
231.12219	3.2
235.13322	4.0
245.11687	10.6
249.08656	4.7
249.11240	90.9
263.12778	60.6
267.12228	11.6
281.13684	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	281.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95075	0.3
54.03476	1.7
54.25107	0.3
55.04241	1.9
56.96545	0.4
63.69340	0.3
64.84150	0.3
69.03426	0.6
69.07035	0.5
71.04966	0.5
71.52145	0.8
81.04536	12.0
81.07056	0.5
82.05318	6.4
85.02907	1.5
97.02898	0.7
98.97565	0.8
108.05588	1.1
109.02879	0.5
122.07146	19.8
123.07926	100.0
124.08352	0.4
128.98592	0.4
136.06183	3.2
146.99686	0.4
149.02376	0.5
150.02650	0.7
151.02869	0.9
153.01787	1.0
160.04314	0.9
163.05908	0.3
165.07729	5.6
167.85526	0.3
177.00659	0.3
200.04306	0.5
201.07414	0.5
207.08505	0.4
219.08403	1.0
263.11060	5.3
266.99863	0.9
281.10660	79.5
282.10867	1.0
283.03076	0.6
296.35956	0.3
299.06134	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01851	0.4
55.05508	12.4
56.96555	0.7
57.03431	1.0
57.07072	17.4
59.05009	0.6
60.28719	0.4
65.03939	1.8
67.05132	0.6
67.05501	18.3
69.03434	1.2
69.07063	21.6
70.75918	0.5
70.76260	1.1
71.04992	1.3
71.08617	3.3
73.06566	0.4
76.03106	0.4
79.05482	7.9
79.87802	0.3
81.03427	0.8
81.07050	80.6
82.07393	0.8
83.04966	0.6
83.08614	12.0
85.02901	2.2
85.06533	3.5
85.10176	1.1
91.05471	1.9
93.03409	0.8
93.07035	9.4
95.04967	1.4
95.08600	60.1
95.85688	0.3
96.08944	0.9
96.88355	0.4
97.02864	1.1
97.06532	1.3
97.10160	11.8
98.97587	0.9
99.08090	1.6
105.07005	2.2
107.04977	0.4
107.08584	9.6
109.02907	0.5
109.06547	0.9
109.10146	32.0
111.08067	1.0
111.11703	5.6
116.98618	0.9
119.08543	1.8
121.02878	4.1
121.03782	0.5
121.06469	0.5
121.10132	7.0
123.11695	14.2
125.09625	2.2
125.13240	1.6
127.03914	0.6
129.12759	0.4
131.08499	0.6
133.10121	1.2
134.99626	0.9
135.11691	6.2
137.13242	7.4
139.11183	0.8
143.03401	0.4
145.10179	0.7
146.99570	0.5
147.11687	0.9
149.02330	100.0
149.13242	5.7
150.02631	2.7
151.07634	0.5
151.14803	3.7
153.01749	2.2
153.12798	0.5
159.11684	0.7
161.13184	0.7
163.14813	2.6
165.16399	1.7
167.03401	3.2
173.13182	0.4
175.14812	0.4
177.00717	1.4
177.16414	1.5
179.17926	1.1
190.05025	0.9
191.17964	1.9
203.18060	0.6
205.08559	1.6
205.19527	1.5
207.11731	0.5
219.13800	0.4
243.21130	0.6
261.18488	1.2
261.22153	1.1
261.25763	4.1
262.07770	0.4
279.04782	0.5
279.09915	0.7
279.13211	0.6
279.17383	1.1
279.23428	1.3
279.26794	14.9
280.14288	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04031	0.5
53.29094	0.4
54.63263	0.5
55.05506	8.4
56.96551	1.0
57.03430	0.5
57.07068	17.5
65.03925	1.7
67.05498	13.3
69.03407	1.1
69.07060	15.4
71.04977	0.9
71.08624	1.3
71.12585	1.3
77.77784	0.5
79.05490	5.6
81.07048	48.8
81.24930	0.4
82.89986	0.5
83.08613	7.3
85.02857	0.5
85.06525	2.1
85.10182	0.7
91.05492	1.2
93.03384	0.5
93.07034	7.5
95.04952	1.0
95.08596	40.3
96.37624	0.5
97.02885	0.5
97.06543	0.6
97.10150	6.0
98.97549	1.3
99.08087	1.5
100.23949	0.5
105.07001	1.6
107.08585	6.2
109.06538	0.8
109.10145	19.1
111.08035	1.4
111.11698	4.6
114.47907	0.5
116.98592	1.1
119.08569	0.8
121.02833	3.7
121.10123	4.4
123.11686	7.6
125.09629	2.0
125.13235	1.3
133.06525	0.7
133.10091	0.7
134.99660	0.9
135.11674	4.5
137.13240	4.2
141.94890	0.5
145.10051	0.7
149.02324	100.0
149.13229	4.5
150.02696	3.0
151.14813	1.7
153.01819	3.2
158.99626	0.7
163.14787	2.2
165.16321	1.1
167.03424	3.1
177.00612	1.5
177.16359	1.5
179.17844	0.6
190.04945	1.0
191.14319	0.5
191.17969	1.0
205.08554	2.0
223.09459	0.5
261.18613	1.0
261.21719	0.6
261.25693	3.5
279.04834	0.8
279.09030	0.8
279.13461	1.0
279.17404	1.1
279.23395	1.2
279.26767	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	279.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.05507	13.5
56.89681	0.5
57.03442	0.6
57.07069	11.3
65.03932	0.8
67.05500	24.0
69.07061	25.6
70.10070	1.3
70.10465	1.1
71.04989	0.5
71.08619	3.2
79.05489	9.3
81.07050	100.0
82.07377	0.8
83.08611	12.9
85.06528	4.9
85.10194	1.4
91.05472	1.9
93.07041	10.3
95.04984	0.7
95.08598	80.5
96.08938	0.6
97.06524	0.7
97.10163	11.9
98.97556	0.8
99.08085	1.7
105.07027	1.1
107.08582	8.4
109.10147	43.8
111.08067	1.2
111.11714	8.2
116.98622	0.5
121.02837	1.3
121.10131	8.7
123.11700	16.5
125.09628	1.6
125.13251	2.0
135.11688	9.7
136.15643	0.5
137.13251	8.9
149.02330	36.3
149.13240	6.9
150.02681	1.5
151.14795	4.5
153.01837	1.4
153.12762	1.0
158.99695	0.6
163.14790	3.6
165.16389	2.9
167.03264	0.7
169.15887	0.7
177.16383	2.1
179.17978	1.4
190.33743	0.5
191.17938	1.8
205.08759	0.6
205.19501	2.1
209.19037	0.7
261.25723	6.6
279.09097	0.5
279.26797	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.0691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
53.67879	0.3
55.01860	0.6
56.96536	0.3
57.03424	0.7
59.04991	0.4
61.02924	1.5
69.03426	2.8
70.06586	0.4
70.71788	0.9
70.99567	2.3
71.04986	0.5
73.02895	0.8
81.03407	1.6
83.05981	0.3
84.07529	0.3
85.02901	10.0
91.03967	0.4
97.02878	2.7
98.00632	20.5
98.97585	0.9
99.04478	0.5
101.60281	0.3
103.00489	0.3
109.02865	1.0
111.17897	0.3
116.01669	100.0
116.98633	0.8
117.01944	0.4
127.03913	2.1
134.99652	0.7
143.03432	0.3
145.04980	2.0
147.04422	0.3
147.36909	0.3
148.27051	0.3
148.53140	0.3
149.02324	1.9
153.01814	4.2
153.02972	0.4
177.00700	0.8
232.03230	0.9
260.02734	0.9
260.05609	0.3
278.03757	2.3
278.06915	1.2
278.10175	0.3
278.18353	0.4
279.04883	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
51.02381	0.8
53.03936	3.5
55.01866	1.0
55.05509	16.2
57.07069	3.7
65.03908	1.2
67.05502	29.9
69.07065	15.1
69.91697	1.7
69.92112	2.6
71.04987	1.6
73.06563	0.9
79.05488	72.3
81.03428	1.0
81.07054	35.0
83.04989	1.8
83.08617	8.0
85.06549	1.2
91.04900	1.0
91.05476	26.9
93.07038	100.0
95.04967	8.7
95.08603	24.3
97.06532	2.5
97.10159	3.9
101.06014	0.9
105.04499	1.6
105.07019	16.0
107.08588	45.9
109.06511	2.4
109.10143	14.0
111.08073	1.7
117.06967	3.7
119.08579	11.3
121.06598	0.8
121.10137	48.5
123.08070	2.0
123.11695	3.0
129.06990	1.8
131.08557	5.1
133.10118	10.8
135.07985	0.8
135.11682	48.8
140.21745	0.7
143.08566	2.6
145.10127	3.3
147.11674	8.0
149.02412	1.3
149.09607	1.4
149.13248	23.0
151.11119	0.9
153.09122	1.2
157.10141	2.1
159.11696	4.2
161.09592	1.0
161.13208	4.7
163.11143	1.7
163.14861	5.0
167.10689	1.3
171.11684	3.5
173.13310	3.0
174.35638	0.7
175.11147	1.4
175.14796	2.2
177.12727	1.5
181.12169	1.2
185.13287	2.5
189.12746	1.9
193.12204	1.2
195.13812	2.7
199.14821	2.0
203.14311	1.0
207.13852	1.7
209.15346	0.9
213.16333	1.9
221.15338	3.5
231.17334	1.3
231.20979	0.9
235.16898	7.6
241.19505	2.7
259.20511	3.6
263.91675	0.8
277.03333	2.3
277.18417	3.2
277.21613	82.1
278.21872	1.2
292.02438	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
51.02368	1.1
53.03928	2.8
54.39986	0.7
55.05262	1.4
55.05507	16.9
57.07074	4.3
65.03931	1.5
67.05499	33.8
67.22823	0.9
67.35571	0.8
67.96873	0.8
69.07065	13.6
70.78661	3.2
71.04974	1.8
73.06528	1.2
74.85537	0.8
77.03905	1.0
79.05487	70.5
80.21267	0.8
81.07051	32.2
82.07923	0.8
83.04967	1.6
83.08607	7.3
85.02882	1.1
85.06555	1.5
85.45852	0.8
91.05475	25.8
93.07037	100.0
95.04953	8.3
95.08600	23.5
97.06522	2.8
97.10153	3.6
97.83308	0.8
99.08007	0.8
105.04482	1.3
105.07020	13.2
107.08585	52.7
109.06514	2.0
109.10147	13.7
111.08052	1.5
117.07006	3.6
119.08577	10.0
121.10131	38.4
123.08053	1.6
123.11683	3.0
125.09608	1.3
129.06999	1.7
131.08563	3.6
133.10121	13.4
135.08072	1.8
135.11684	53.8
143.08539	2.2
145.10115	2.6
147.11693	6.0
149.09587	2.8
149.13239	21.4
149.14365	1.8
151.33549	1.0
157.10109	1.4
159.11693	3.4
161.13219	4.0
163.11140	1.7
163.14825	5.3
171.11711	3.3
173.13255	2.6
175.14798	0.9
177.12738	1.2
181.12244	1.7
185.13257	2.4
189.12675	1.1
195.13817	2.0
199.14822	1.1
207.13719	1.7
207.29662	0.9
213.16405	2.1
221.15352	1.7
231.17451	1.1
235.16983	4.8
241.19513	3.2
259.20566	3.5
277.21609	76.7
278.21948	1.5
278.63254	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03940	3.9
55.01078	2.4
55.05512	23.4
55.28024	2.4
57.07063	9.4
67.05502	33.2
69.07069	17.1
69.29758	25.7
69.30170	5.9
71.04990	2.6
79.05491	67.1
81.06655	3.1
81.07062	39.1
83.04940	5.3
83.08603	9.5
91.05045	2.4
91.05486	25.5
93.06477	5.7
93.07041	100.0
95.04943	9.6
95.08604	28.3
97.06525	5.4
97.10143	2.8
98.21442	5.9
103.05463	4.0
105.07034	21.0
107.08592	50.1
109.06510	3.1
109.10161	16.3
117.07023	3.7
119.08593	16.9
121.10137	48.0
123.11652	3.3
128.04309	3.1
131.08569	5.8
133.10138	14.1
135.08040	4.2
135.11685	48.6
137.06012	2.6
137.09619	5.6
137.13213	2.7
142.07808	2.5
143.08502	6.2
145.10085	4.3
147.11676	8.4
149.02338	6.9
149.13292	21.5
155.95671	2.7
157.10123	6.0
159.11650	7.4
161.13237	3.0
163.14832	4.4
171.11600	5.4
173.13264	4.5
175.14859	3.6
183.11690	3.0
185.13191	3.1
189.12920	3.0
199.14857	6.9
201.16217	2.8
207.13853	3.0
217.15822	5.4
230.61705	3.0
235.16899	11.5
241.15733	4.8
241.19374	2.7
259.02283	5.6
259.06201	3.0
259.17035	3.3
259.20496	6.1
277.03403	10.8
277.18015	25.9
277.21600	88.7
279.98032	3.0
292.58292	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03931	2.1
53.40592	1.0
55.01851	1.5
55.05506	15.1
57.03413	1.1
57.07062	5.6
59.04981	2.7
59.12871	1.2
60.02981	1.2
65.03929	1.4
65.64087	1.0
66.67498	1.2
67.05500	22.5
69.03421	14.4
69.07059	14.9
70.85887	3.0
71.04973	8.1
73.48809	1.1
79.05483	20.8
81.03402	5.1
81.07050	47.1
83.04978	16.4
83.08608	10.3
85.06535	13.8
91.05466	14.1
93.07036	45.4
95.04971	5.8
95.08595	28.0
97.06515	4.3
97.10112	2.5
105.07024	31.7
107.04936	3.2
107.07859	2.0
107.08585	38.8
109.06519	13.7
109.10147	40.2
111.08087	8.9
113.09631	15.8
117.07020	3.7
119.08575	31.2
121.06488	4.4
121.10136	50.5
122.07275	3.4
123.08058	6.8
123.11705	18.9
125.09615	8.6
131.08557	6.2
133.06480	1.9
133.10123	44.7
135.08040	3.9
135.11681	27.9
137.09607	26.9
139.11154	10.7
143.08553	3.4
144.09349	1.4
145.10144	8.9
147.08069	6.0
147.11688	12.6
149.02304	6.8
149.09608	10.5
149.13234	12.7
151.11180	34.7
157.10110	6.7
159.11676	10.5
161.09602	6.0
161.13248	12.8
163.11172	2.7
163.14693	1.7
165.12700	5.6
171.11620	5.7
173.13200	3.6
175.11180	4.9
175.14812	30.2
177.12675	1.9
179.14336	2.1
185.13245	6.9
189.12743	6.9
189.16325	1.6
193.15834	7.0
199.14854	4.2
201.16339	12.9
203.14297	9.2
217.15837	3.2
217.19489	2.8
219.17387	4.0
221.15366	1.4
241.19513	8.7
259.20560	21.3
277.03214	1.8
277.21597	100.0
278.21887	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
66.96369	0.4
69.03406	0.9
69.78409	2.8
84.08139	0.9
85.02905	1.3
85.07689	0.5
97.02866	0.6
101.00874	1.8
101.30237	0.4
105.00335	0.5
115.96813	0.6
119.01906	7.0
121.01649	3.5
131.01903	1.4
133.01653	1.1
133.03481	1.3
137.02934	1.3
139.02695	1.2
139.06023	0.4
143.01900	2.0
145.03447	2.2
147.03152	2.9
147.04970	0.5
155.01912	1.3
157.01637	0.7
157.03511	1.6
161.02959	5.6
163.02681	0.7
171.03152	2.4
173.02974	2.3
173.04742	0.9
175.02727	3.7
175.04555	1.9
184.88655	0.4
185.02876	2.4
187.02704	1.5
187.04579	1.4
189.02773	0.7
189.04166	3.1
197.02971	1.4
199.02725	0.4
203.04059	0.9
215.03937	0.7
217.03812	2.0
231.05440	1.0
245.05028	2.8
249.06505	1.1
277.06473	3.7
277.08948	100.0
278.09204	0.8
295.07007	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0341
Annotation	5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene
Peak:m/z	Relative Intensity
57.07051	0.2
60.15815	0.2
63.80206	0.2
68.99772	0.3
69.07108	0.2
71.59399	0.2
74.78443	0.2
81.03400	0.2
84.24036	0.2
90.25642	0.2
91.05470	1.0
95.04926	0.2
101.39079	0.2
103.05453	1.9
107.04895	0.2
116.01695	0.2
119.04951	1.0
123.04397	1.1
127.03902	0.7
129.03368	0.9
131.04901	1.4
133.02788	0.2
139.03893	0.6
141.03351	0.3
147.04396	2.6
149.02330	0.6
151.03896	2.0
155.98390	0.2
157.02838	2.4
159.04390	0.5
167.03474	0.2
173.02322	0.3
175.02516	0.3
175.03908	4.6
185.00667	0.3
185.02313	3.6
187.02197	0.4
187.03897	7.7
203.03386	6.3
203.19177	0.2
213.01811	5.8
215.01448	0.4
215.03375	5.1
221.04385	0.2
230.02110	0.4
231.02867	29.0
232.03337	0.4
235.16986	0.5
241.01300	5.2
246.28000	0.2
259.02365	42.4
259.11081	0.7
260.02908	0.6
268.15948	0.2
277.03412	100.0
277.17978	0.6
278.03748	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01876	2.3
55.05514	2.1
56.96563	19.5
57.03436	8.3
57.07068	1.8
61.02920	8.3
67.05505	2.1
69.03426	19.1
70.06596	3.9
70.91277	5.2
71.04979	5.2
72.04502	2.5
73.02914	5.5
73.21156	1.5
81.03415	9.9
82.99881	2.0
83.04977	3.0
84.04494	3.5
84.96036	2.5
85.02901	33.3
86.03226	1.8
86.09699	5.5
87.04461	2.8
87.10030	4.3
91.03954	2.2
95.04923	1.9
96.04469	3.1
97.02884	26.1
98.97578	21.2
99.04469	5.6
101.00851	13.3
101.02368	2.1
109.02897	8.0
110.97572	5.5
111.04508	2.1
112.99078	2.9
113.00841	2.5
114.05493	2.8
115.02484	2.6
115.03932	3.6
115.05075	2.5
116.07071	4.0
116.98627	14.2
119.01912	71.5
127.03914	8.6
128.98599	13.3
130.05013	1.8
131.00174	5.7
131.01892	16.6
133.03455	9.9
134.99667	6.0
137.02954	15.0
142.03539	2.4
143.01886	22.6
144.98080	2.5
145.03461	19.6
145.04965	5.9
146.99677	10.6
147.01407	2.5
147.05058	2.1
149.01192	3.5
151.02850	2.5
152.98528	1.9
155.01871	8.5
157.03439	18.4
158.99670	5.4
159.04996	2.5
161.02951	100.0
162.99132	2.6
163.02838	2.7
163.04533	4.9
167.01991	3.5
169.03444	2.6
170.99655	3.4
171.05026	4.9
173.02975	19.7
175.03006	3.9
175.04539	16.8
176.08189	36.4
176.09644	3.4
177.00751	8.9
177.04308	2.7
179.02156	2.6
179.04053	4.6
179.10788	1.9
183.04068	4.9
184.04654	3.8
185.02934	15.0
187.02954	2.0
187.04514	11.6
189.00748	4.3
189.04463	2.4
189.06075	2.8
191.04063	3.4
196.07126	1.9
197.03017	9.0
201.08849	2.4
203.03996	7.4
205.05492	2.3
207.01755	3.1
211.04608	5.2
214.06088	5.3
215.03995	6.7
217.05632	2.5
219.01794	8.2
221.05061	8.3
227.03871	2.4
231.02972	4.6
232.07106	13.9
235.16858	2.3
237.02802	24.1
245.05074	50.3
245.07466	4.0
249.09889	4.2
255.03737	2.8
259.02386	7.2
259.06540	15.6
260.06894	2.1
261.08157	2.9
263.06168	7.3
277.03311	27.4
277.07645	80.2
277.14230	3.3
277.17575	3.4
279.09332	4.2
295.06866	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	276.144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02338	0.6
53.03948	3.6
55.01866	2.5
55.05502	0.7
56.05022	0.9
56.96561	4.9
57.03440	3.1
58.06595	0.8
60.04515	0.6
61.02914	2.5
67.05502	1.4
68.99806	0.7
69.03072	1.0
69.03426	14.6
69.07061	10.7
70.06583	1.3
71.01325	0.7
71.04986	2.7
71.27335	0.5
71.58229	0.6
71.81358	0.6
72.08138	0.5
73.02921	3.1
79.01828	0.6
80.05024	0.6
81.03413	24.7
83.04979	1.1
84.04503	1.3
84.08125	1.4
85.02897	17.2
86.06075	0.8
86.09699	100.0
87.03202	1.4
87.04455	1.8
87.10018	1.1
88.03984	1.5
90.94846	0.7
91.03941	1.1
91.05450	0.8
95.04949	0.6
96.04472	1.7
97.02886	29.9
98.09697	1.2
98.97577	3.6
99.04452	4.8
101.00548	0.5
101.48957	0.7
109.02872	80.9
110.03188	1.0
110.97565	0.7
114.05532	5.2
115.03907	1.0
116.98603	3.4
119.01878	1.7
125.02323	1.2
126.05499	1.8
127.03914	25.0
128.98546	1.2
131.04900	0.7
132.10191	12.8
132.95857	0.8
134.99661	2.5
136.29037	0.6
137.05981	0.9
139.03983	0.6
140.04652	1.2
143.00182	0.8
143.01752	0.8
143.03386	0.9
144.06590	0.8
144.10120	0.9
145.04939	5.9
146.03537	0.9
146.99632	2.1
147.03207	0.8
147.04327	1.3
150.05492	0.7
153.01819	6.4
153.05707	1.7
156.06548	1.5
158.99704	0.9
161.01164	1.0
161.02954	1.7
161.06741	1.5
168.03725	0.6
171.01131	0.8
172.95210	1.1
173.03027	1.1
173.04477	3.0
173.06853	0.8
174.96851	0.8
176.08202	3.9
177.00685	2.0
186.11217	0.7
186.99097	0.8
187.04111	0.7
188.04759	0.7
189.00569	0.9
191.03874	1.7
191.05473	1.2
193.01622	0.7
194.11737	11.6
200.04390	0.6
201.00639	1.7
203.03783	0.8
212.12738	1.8
219.01744	2.2
221.04832	0.7
222.05238	0.7
230.05717	0.6
230.13864	3.6
231.02884	2.0
232.07146	1.7
237.02844	3.2
240.12267	1.0
241.01683	0.7
244.89256	0.7
244.99644	2.5
248.14864	1.0
252.16272	0.7
255.03746	1.0
258.13351	19.6
258.16058	1.1
259.02377	2.7
259.06009	0.8
263.00690	5.2
276.06372	1.0
276.11084	3.0
276.14359	10.6
276.17444	1.2
277.03418	7.4
277.09213	2.7
287.00763	3.0
294.04156	0.7
294.07388	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03941	3.4
55.01866	13.7
55.05269	1.2
55.05509	16.0
61.31802	1.2
65.03906	2.1
67.05499	19.5
69.06723	1.2
69.07066	13.1
71.04974	3.1
71.59544	1.9
79.05488	21.3
81.03432	1.9
81.07051	31.0
83.04967	3.8
83.08595	4.9
85.06503	1.4
91.05477	48.2
93.07032	20.0
95.01308	2.5
95.04967	6.0
95.08593	13.8
97.06525	18.5
97.10178	1.8
103.05379	1.4
105.07022	79.9
106.08651	1.5
107.04951	9.4
107.08595	13.0
109.06516	2.1
109.10130	6.1
115.05395	1.2
116.84509	1.2
117.07019	11.2
119.08571	36.1
121.06519	2.5
121.10143	7.5
123.08071	2.1
123.11720	1.7
125.09663	1.4
129.06981	3.8
131.08553	18.0
133.10120	45.8
135.08041	3.0
135.11661	3.7
137.09622	2.8
143.08557	2.4
145.10118	13.8
147.11676	19.4
149.09631	9.6
157.10074	2.9
159.11678	7.1
161.13255	3.3
163.11165	3.9
164.07201	1.3
165.09088	1.6
171.11653	3.2
173.13266	3.9
177.12698	1.5
179.14243	1.8
187.11189	1.4
187.14709	1.4
197.13199	2.1
201.12730	1.3
206.85294	1.2
229.19499	2.0
239.17949	1.8
247.16966	1.6
247.20537	2.6
257.18936	8.5
275.20038	100.0
275.27771	9.7
276.20407	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	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.01874	2.3
55.05519	10.6
57.03417	2.9
57.07066	4.4
67.05507	12.2
69.03409	2.4
69.07047	7.8
70.06576	7.6
70.73300	7.1
71.04974	9.0
71.06923	4.3
71.08640	2.7
79.05492	14.9
81.07052	27.6
83.04953	3.6
83.08605	5.6
85.06534	7.3
88.07616	8.4
89.07954	2.9
90.47852	2.2
91.05481	24.7
93.07034	23.9
95.04947	6.0
95.08598	15.5
97.06520	3.3
103.05428	3.3
105.06310	2.2
105.07024	39.9
106.08657	4.7
107.04945	6.5
107.08584	21.5
109.02868	4.1
109.06500	10.5
109.10159	11.5
111.08083	8.3
111.98438	2.1
117.07008	7.4
119.08574	37.5
121.06466	4.2
121.10128	20.2
123.08028	6.7
123.11711	5.6
127.03890	6.7
129.07005	4.7
130.07768	2.1
131.08565	19.9
133.10132	26.0
135.08070	15.0
135.11687	7.5
137.09595	4.4
143.08546	6.1
145.10115	21.5
147.08043	3.4
147.11684	16.0
148.64848	2.3
149.09608	8.0
149.13217	3.3
151.11150	2.8
154.80466	2.2
156.09299	2.6
157.10123	19.6
158.10905	4.4
159.08073	2.3
159.11682	22.0
161.09581	5.4
161.13261	4.3
163.11185	3.5
169.10126	4.4
171.11737	4.5
173.13232	35.7
174.13994	3.3
175.11133	7.2
175.14879	4.1
177.12730	4.7
183.11682	7.5
184.12389	2.3
185.13277	2.1
187.11191	3.6
187.14839	5.6
189.12784	3.7
191.14354	5.6
197.13321	5.7
199.14784	11.8
200.34158	1.8
201.12729	7.0
213.16220	4.2
215.14261	4.6
215.17964	3.9
217.15933	3.2
219.13982	3.0
229.19547	2.7
239.17897	4.9
247.20572	3.4
257.18967	25.1
257.26654	4.9
275.08359	2.5
275.16837	5.8
275.20044	76.9
275.27734	100.0
298.19113	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
52.65406	0.7
53.03949	1.1
55.05513	5.9
57.03424	0.9
57.07057	3.1
59.04944	0.7
65.03935	1.4
65.25845	0.7
67.05170	1.2
67.05502	17.3
69.07056	7.3
71.04987	4.4
73.02898	0.9
73.83698	0.8
79.05485	19.9
81.07051	25.5
83.04981	1.5
83.08611	3.2
88.07623	1.5
89.36947	0.7
90.53135	0.8
91.05476	21.9
93.07040	27.0
95.04935	2.2
95.08600	20.3
97.10143	1.7
99.08036	1.0
105.07024	26.6
106.08631	1.6
107.04949	1.2
107.08582	21.3
109.02866	2.4
109.06510	2.8
109.10158	10.5
111.04466	0.7
111.08064	0.9
116.98618	1.1
117.06998	4.4
119.08575	28.5
121.06470	4.5
121.09307	1.4
121.10128	16.6
123.08064	1.8
123.11696	5.8
125.09685	0.8
127.03877	4.2
127.07571	0.8
129.06950	2.5
131.08557	10.6
133.09109	1.3
133.10121	25.2
135.08043	3.9
135.11671	26.4
137.09616	1.1
139.03871	2.2
139.07513	2.5
141.07001	1.3
143.08531	2.7
145.10114	11.6
147.04367	1.4
147.08055	2.2
147.11682	22.9
149.09616	2.7
149.13260	7.4
153.09097	2.7
155.08539	1.5
157.10107	3.0
159.11696	9.9
161.02934	1.3
161.09579	2.3
161.13252	23.6
163.11107	1.4
163.14882	1.4
165.09143	1.9
167.10654	2.0
169.10118	2.5
171.11655	2.3
173.09607	2.2
173.13235	7.5
175.11200	3.4
175.14824	13.0
179.10670	3.2
181.12212	1.8
183.11655	3.3
185.13281	1.2
187.11147	2.4
187.14844	2.3
189.12721	1.4
193.12233	5.1
197.13257	3.1
201.12752	1.7
203.17906	0.9
205.12213	3.0
207.13850	1.2
207.15714	0.8
211.14781	2.0
213.16431	4.2
215.14365	2.5
215.17944	18.9
219.13783	2.3
229.15819	3.0
229.19342	0.9
233.15375	2.1
239.17917	9.8
257.18997	14.2
275.20053	100.0
275.27640	8.1
276.20364	3.5
282.69702	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.8
55.05515	0.5
56.96556	1.6
57.03440	1.3
57.07061	1.9
61.02900	1.3
67.05487	1.7
69.03420	2.1
69.07040	0.4
69.78956	0.9
69.79361	2.6
70.06587	0.5
72.08167	0.5
73.02894	1.4
81.03410	1.5
83.04989	0.5
84.08121	0.5
85.02901	5.1
85.06506	0.5
86.09700	1.3
87.04436	0.4
91.05465	0.5
95.04955	0.8
97.02890	3.8
98.20779	0.5
98.97572	2.3
107.04919	0.6
109.02869	1.9
113.02357	1.0
113.05965	1.0
114.05518	1.0
115.05491	0.6
116.07073	0.6
116.98601	2.8
119.01881	1.4
127.03922	2.0
128.98555	1.0
131.01866	0.5
134.99640	1.3
137.02919	0.8
139.03902	0.7
143.01860	0.5
143.03340	0.5
145.03406	1.2
145.04956	1.0
146.99696	0.7
153.01799	2.0
153.05649	0.6
154.02191	0.5
154.11786	0.5
155.08661	0.4
157.06448	0.9
159.03157	0.4
161.01190	0.5
161.02936	0.9
161.04510	0.6
161.05652	1.0
169.03503	0.9
173.02866	0.9
175.04530	0.7
177.00731	0.7
182.03331	0.5
183.04700	0.4
185.02875	0.5
185.06206	0.6
187.04439	1.4
189.00621	0.7
191.03664	1.3
202.54660	0.7
215.03844	0.5
219.01765	1.3
221.05006	1.2
223.55168	1.1
229.05498	0.8
233.06831	0.5
234.98982	0.5
237.02740	2.9
245.08160	0.9
247.02425	0.8
247.06432	0.7
255.03841	0.5
256.43237	0.4
261.02802	0.5
268.06760	0.6
274.58768	0.7
275.10986	100.0
276.06192	0.5
276.11243	0.7
284.04404	1.6
286.07639	0.6
293.10831	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	1.6
57.07049	0.9
63.98734	0.8
69.03429	2.2
69.54904	3.0
69.55329	3.4
71.05003	0.9
73.02911	1.0
81.03420	1.3
85.02886	2.5
88.62104	0.7
95.04961	1.3
97.02872	1.7
98.97589	1.2
99.04466	1.2
102.85284	0.8
104.72355	0.7
105.07017	1.1
107.04922	1.5
109.02834	0.8
111.04442	1.4
113.05964	1.4
113.07124	1.9
116.98637	1.0
119.01920	1.1
121.02872	1.0
125.02377	1.0
127.03910	1.3
129.03317	0.8
131.08591	0.9
135.04498	0.8
135.08017	1.2
139.03885	3.6
141.06783	1.0
143.03401	1.1
145.08310	0.8
147.04366	1.2
151.03790	0.8
153.01831	6.2
161.05904	0.9
163.03943	1.4
167.03458	1.2
174.11256	0.8
191.03412	2.7
203.03386	1.2
220.16116	0.8
229.04982	1.7
233.04521	1.0
247.02586	1.4
254.04440	1.4
257.04449	1.9
263.00742	1.0
274.27267	0.9
275.05978	2.4
275.11017	100.0
276.11496	1.2
282.70734	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0912
Annotation	Phloretin
Peak:m/z	Relative Intensity
53.03939	0.8
53.92041	0.7
55.05504	1.0
60.50716	0.6
67.05518	1.2
69.07069	1.4
70.23210	2.8
75.74103	0.6
77.82728	0.6
79.05482	3.1
81.07056	2.2
85.02914	0.8
91.05467	2.2
93.07040	2.8
95.04961	2.7
95.08598	1.8
97.06506	0.8
105.07020	3.6
107.04950	100.0
107.08578	2.6
108.05276	1.5
109.06539	0.7
109.10116	0.9
113.08193	0.6
117.07063	0.7
119.01960	0.7
119.04964	1.0
119.08578	2.6
121.06496	1.0
121.10185	1.6
123.04405	1.1
124.04725	0.9
127.03914	2.2
129.06918	0.6
131.01744	0.7
131.08556	1.0
133.10149	1.7
135.11617	0.8
139.03889	3.0
145.10098	1.3
147.04340	0.6
147.11703	1.5
149.05975	2.7
151.03879	1.5
153.01808	4.0
157.10185	0.8
159.11691	1.1
163.03896	1.0
169.04968	10.6
171.21043	0.6
181.38103	0.6
190.24403	0.7
215.14224	1.1
223.01973	0.6
257.12546	0.7
257.18973	0.7
263.09396	0.8
275.01871	2.6
275.05002	0.8
275.09036	5.0
275.13211	0.9
275.17068	1.3
275.20081	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0911
Annotation	EPIAFZELECHIN (2R,3R)(-)
Peak:m/z	Relative Intensity
55.01864	1.2
67.05486	1.1
68.99771	0.8
70.54182	1.4
70.54517	0.7
71.86021	0.5
75.81262	0.7
83.04977	0.8
93.03389	1.1
93.07056	0.6
95.04967	1.6
97.02826	0.6
103.05471	3.1
107.04944	48.1
111.04444	2.4
117.07031	0.9
121.02873	1.1
121.06528	3.6
123.04449	0.6
127.03899	0.7
131.04944	1.4
139.03891	100.0
145.06462	8.8
147.04349	0.9
149.04758	1.2
149.05963	25.3
151.03912	1.1
153.22383	0.6
156.93404	0.6
161.05972	1.6
163.03868	1.0
163.07565	2.2
169.04930	2.1
173.05966	2.5
191.07018	8.8
233.08087	1.6
257.08063	1.0
275.09048	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	275.0912
Annotation	EPIAFZELECHIN (2R,3R)(-)
Peak:m/z	Relative Intensity
53.03936	0.6
55.01865	2.1
65.03934	0.4
67.05504	0.9
68.99792	1.5
69.03458	0.4
70.94793	1.2
83.04980	1.1
91.05504	0.7
93.03407	0.9
93.07057	1.0
95.04974	2.4
97.02891	0.5
103.05473	3.1
107.04951	52.2
108.05282	0.8
111.04421	2.8
113.65866	0.4
117.07022	0.8
119.04921	0.5
121.02882	0.8
121.06511	4.7
123.04420	0.9
127.03926	1.0
131.04909	1.8
133.06516	1.0
135.04428	0.6
135.07973	0.3
139.03897	100.0
140.04231	1.4
145.06485	7.3
147.04434	0.9
149.05975	23.8
151.03937	0.9
153.05493	0.5
161.06023	2.0
163.03885	0.9
163.07547	2.6
169.04964	1.7
173.05974	2.2
181.04881	0.8
189.09102	0.4
191.07027	8.0
233.08125	1.7
257.08255	0.7
275.09131	8.9
276.09482	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.091
Annotation	Phloretin
Peak:m/z	Relative Intensity
51.02375	0.2
53.03933	0.5
58.73717	0.2
67.01860	0.2
69.59356	1.0
77.03898	0.1
79.05493	0.8
79.27839	0.1
81.79173	0.1
85.02898	0.1
91.05475	0.2
93.07018	0.2
95.04951	1.0
105.04489	0.2
105.07005	0.3
107.04944	100.0
108.05266	0.8
117.07059	0.1
119.08552	0.3
121.06499	0.8
123.04409	0.4
127.03922	1.0
135.08038	0.3
149.05940	1.2
151.03871	1.4
153.01889	0.1
161.09589	0.1
169.04950	11.4
181.04878	0.2
187.11206	0.2
257.07919	0.1
257.19012	0.3
275.01932	0.2
275.09100	2.9
275.20047	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.6
60.21307	0.5
67.05502	1.3
70.44688	1.0
70.45076	1.2
75.36669	0.6
80.11177	0.6
82.99860	1.2
83.04977	0.9
93.03376	1.1
95.04944	1.4
95.87577	0.6
97.02863	0.7
100.76233	0.6
101.00875	7.2
103.02441	0.7
109.01410	0.9
111.04426	1.6
119.01913	36.9
121.02852	3.3
121.91788	0.6
127.02381	3.4
128.02707	0.6
131.01883	1.1
133.03450	0.9
137.02943	12.5
139.03804	0.6
141.33527	0.6
142.03439	0.6
143.01880	1.6
143.05511	0.6
143.45332	0.5
145.03455	29.1
145.84915	0.7
147.05048	0.7
151.02321	0.8
153.03888	0.8
157.03455	5.4
159.05040	0.8
161.02950	4.0
161.06596	1.0
163.04523	1.8
167.01852	0.8
169.03448	27.6
170.03586	0.9
171.01442	0.6
171.05020	7.1
173.02982	1.0
175.04529	2.2
179.01859	0.7
183.04939	0.8
185.02956	13.2
185.06595	1.0
187.04506	48.9
188.04625	2.1
189.02411	1.2
189.06104	1.6
195.05037	3.1
197.02963	7.3
203.04025	4.2
205.05585	8.3
210.06100	1.5
211.04559	2.4
213.06055	2.6
215.03978	10.7
221.02954	2.4
229.05554	31.9
230.05737	1.3
231.03493	1.7
239.03981	1.9
247.06621	27.3
248.06790	0.9
249.04614	1.6
257.05029	2.7
270.08124	1.7
275.06100	100.0
276.06360	1.8
293.07147	28.0
294.07285	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2211
Annotation	androstenone
Peak:m/z	Relative Intensity
53.03934	1.3
55.05510	4.6
55.05723	0.8
57.07058	2.7
59.04977	1.3
62.77035	0.8
65.03937	1.1
67.05505	7.2
69.07056	6.8
71.04986	12.5
79.05489	6.0
79.79162	0.9
81.06586	1.7
81.07051	30.8
83.08582	2.8
85.06513	3.0
91.05475	10.2
93.07032	17.9
95.04972	5.3
95.08600	25.4
97.06498	1.5
97.10148	2.3
99.08077	1.1
105.07022	30.0
107.04932	3.6
107.08588	18.2
109.06490	7.5
109.10139	12.5
111.08069	15.9
111.11687	0.9
113.09644	9.7
117.06990	4.9
119.04945	10.9
119.08573	60.1
121.10130	21.6
123.04413	6.4
123.08019	1.0
123.11687	11.2
129.07033	1.3
131.08566	16.7
133.10120	12.2
135.11676	5.7
137.09610	2.2
139.11122	1.0
142.07744	1.7
143.08537	7.0
144.09308	1.8
145.10120	20.9
147.04395	11.3
147.11687	10.1
149.02328	1.0
149.09607	0.9
149.13252	6.3
151.03880	1.8
153.01813	20.7
157.10106	12.2
159.11681	50.0
161.13252	13.3
163.11148	2.6
163.14821	5.8
165.12688	1.4
170.10925	1.3
171.11676	8.3
173.13246	16.7
175.14818	5.1
177.12761	7.0
179.14316	3.1
181.15819	1.4
183.11671	1.0
185.13246	7.1
187.14828	6.6
189.16370	4.6
197.13205	1.0
199.14799	14.3
201.16293	1.2
203.14346	1.3
203.17908	3.9
213.16396	10.7
215.07077	1.3
215.17934	67.1
216.18211	1.4
217.15875	3.3
217.19461	2.8
227.17944	2.5
229.19521	10.4
229.46979	0.9
231.17393	1.2
231.21065	1.7
243.06526	1.2
255.21068	59.1
273.07547	19.6
273.22107	100.0
274.07831	1.6
274.22278	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1484
Annotation	(-)-Methallenestrilphenol
Peak:m/z	Relative Intensity
50.41063	0.9
55.05482	1.3
57.07062	2.5
67.05502	1.0
69.06772	1.0
69.07066	10.0
69.62663	1.3
69.63073	5.9
70.06580	3.2
71.08614	0.8
74.34474	0.9
79.05479	1.1
80.09480	0.9
81.07034	3.0
83.04959	2.2
88.07616	6.3
91.05451	1.7
93.07024	1.4
95.04928	1.3
102.09168	2.3
106.08646	3.4
107.08544	1.2
109.06491	1.5
109.45963	0.8
119.04938	3.0
119.08532	1.8
121.06503	16.8
123.04415	2.2
125.19269	1.0
131.08536	1.9
135.08072	1.6
141.06915	1.0
143.08589	1.7
145.06473	4.0
147.04396	2.4
147.08034	10.4
153.01804	3.8
157.10089	1.9
158.07231	1.1
159.08035	12.9
167.08533	1.4
170.07230	1.3
171.08038	36.2
172.08794	6.1
173.09612	2.9
179.08488	1.2
181.10107	1.1
183.08011	2.9
184.08853	1.2
185.09593	24.0
186.10258	1.6
187.07515	4.1
195.08081	7.4
197.09615	6.4
198.06805	1.9
198.10374	4.1
199.07506	3.8
199.11205	4.7
200.08366	0.9
204.09354	0.9
208.08624	1.0
209.09613	1.6
209.13263	1.8
211.11108	1.2
212.08473	1.0
212.11972	15.1
213.09091	9.8
213.12677	3.3
222.10423	6.1
224.02057	1.0
226.09697	1.3
226.13338	1.0
227.14287	82.8
237.12679	7.5
240.11386	1.7
255.13783	96.8
256.14047	1.9
256.26422	2.4
273.07565	4.4
273.14832	100.0
274.15179	2.9
274.27368	55.0
293.54846	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1484
Annotation	(-)-Methallenestrilphenol
Peak:m/z	Relative Intensity
52.73032	0.6
53.03916	0.6
55.01855	1.1
55.05490	2.9
57.07055	1.0
59.06935	0.6
60.50021	0.7
62.62862	0.6
67.05476	2.9
69.03408	1.4
69.07066	15.7
69.50771	4.1
69.51181	1.7
79.05475	2.3
81.07047	8.3
83.04939	0.9
91.05470	4.7
92.35436	0.6
93.07033	3.8
95.04990	4.1
95.08608	5.3
97.10126	0.7
105.07024	6.0
107.04956	4.1
107.08589	5.8
109.06523	1.2
109.10137	3.0
119.04947	10.8
119.08574	6.9
121.02839	0.8
121.06505	17.6
121.10123	2.5
123.04427	9.7
123.11675	2.2
128.06178	2.0
129.07013	1.1
131.08553	2.5
133.06487	1.0
133.10106	3.0
135.08037	2.1
135.11668	1.9
141.06984	2.1
143.08507	1.7
145.06494	3.8
145.10089	1.1
147.04405	8.5
147.08018	8.7
147.11671	2.4
149.02412	0.9
149.13240	2.1
149.36537	0.8
151.03917	1.6
153.01825	15.6
153.06981	1.5
157.06419	1.7
157.10104	2.2
158.07298	1.6
159.08057	12.1
161.09627	1.9
161.13237	3.1
163.07591	1.0
163.14830	1.0
165.07010	1.2
167.08531	1.9
170.07248	1.7
171.02792	0.7
171.08044	39.6
171.11684	1.9
172.08821	4.6
173.09595	4.6
179.08473	1.5
181.06477	1.4
183.08098	1.4
184.08755	1.1
185.09605	27.8
186.10236	1.0
187.07561	3.5
187.11201	1.1
189.16374	1.0
194.10979	1.3
195.08037	6.1
195.11595	0.9
196.08942	0.9
197.09619	7.8
198.06757	1.0
198.10330	2.5
199.07510	2.6
199.11157	5.0
199.14815	1.0
200.08311	0.9
207.08102	1.7
208.08725	1.3
209.09605	1.4
209.13234	2.0
211.07506	1.3
211.11226	1.7
212.08417	0.7
212.11974	13.5
213.09096	9.8
213.12643	4.1
217.19482	2.5
219.11595	1.5
222.10385	7.7
225.09070	2.7
225.12729	1.2
226.09807	0.9
227.14290	95.2
228.14661	2.2
237.12704	11.2
239.10747	0.8
240.11412	7.3
243.06598	1.0
255.13792	100.0
256.14096	2.1
273.07602	17.0
273.14838	69.6
273.18289	2.8
273.25696	9.6
274.15121	1.7
293.28818	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.112
Annotation	Eulophiol
Peak:m/z	Relative Intensity
53.03926	1.8
55.01862	2.4
56.96558	3.7
60.51778	1.3
62.51871	1.3
67.05489	2.5
68.99792	2.9
69.03430	3.9
69.88407	6.9
72.58603	1.4
79.05494	2.2
81.07060	1.7
83.04985	2.8
83.23389	1.4
85.02914	1.8
88.66231	1.4
91.05481	18.0
95.04961	20.8
97.02881	4.3
98.20825	2.3
98.97605	2.4
99.04477	2.3
103.05486	3.4
105.04551	1.6
105.07040	2.7
107.04957	25.6
109.06496	2.0
111.00784	1.4
111.04463	3.1
116.98620	3.0
117.06995	2.0
119.04092	2.9
119.04942	56.3
119.05779	3.1
121.02843	3.0
121.06497	22.5
123.04428	56.9
125.06036	2.4
127.03905	2.2
131.04938	4.6
133.02831	2.1
133.06494	3.2
133.80115	1.3
134.03621	4.7
134.99651	2.0
135.04427	4.5
136.05214	1.9
137.05978	12.5
139.03903	3.8
141.06958	2.2
142.07787	2.1
143.04857	2.3
145.06483	3.7
147.04402	35.0
148.05194	3.2
149.02304	7.3
149.04771	3.2
149.05974	58.1
150.06750	1.6
151.03905	9.3
151.07535	30.2
151.08656	2.5
152.06180	16.3
153.00575	3.4
153.01825	75.5
153.06990	81.1
154.02193	2.2
154.07428	1.6
155.08589	1.6
157.06497	2.4
161.05956	3.9
163.03912	4.4
163.07590	4.2
165.06992	5.0
167.07164	1.4
167.08559	6.1
168.05670	1.5
169.06511	8.9
170.07326	9.9
171.02902	2.3
171.04454	1.4
175.07553	4.2
177.09171	1.7
179.03423	1.9
180.05737	5.4
181.06482	100.0
182.07202	6.8
183.08051	2.5
184.00470	1.4
185.06102	2.0
185.09605	2.3
187.07509	1.4
189.05524	1.9
195.08047	11.4
197.05962	5.1
198.06735	16.9
199.07567	2.8
202.35420	1.5
209.05983	22.9
210.06746	3.8
212.08267	1.9
213.09096	64.4
215.07062	5.8
223.07495	6.4
225.05450	1.4
226.06261	3.6
227.07060	3.1
227.10684	4.7
231.06520	1.7
241.08582	70.5
242.09273	6.6
243.06575	3.3
245.08069	4.0
245.11716	2.0
255.06590	2.3
255.10257	2.5
256.37619	1.5
258.08713	2.1
273.04272	3.1
273.07596	66.2
273.11234	63.5
274.07901	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0756
Annotation	HYDRAMACROPHYLLOL A
Peak:m/z	Relative Intensity
53.03946	2.0
55.01872	0.7
65.03963	0.9
67.05505	2.0
68.99805	3.3
71.12315	1.0
71.12637	1.4
77.03967	0.8
79.05520	0.7
81.03455	1.0
91.05491	7.9
95.04964	33.0
95.95321	0.9
105.07021	1.8
107.04951	40.5
111.00823	1.6
111.04449	0.8
119.04939	100.0
120.05251	0.9
121.02881	5.7
123.04421	97.8
124.04730	0.8
133.06488	5.9
135.04424	2.6
139.03896	7.6
141.06970	1.2
145.06483	1.0
147.04391	17.2
149.02324	10.4
151.03897	19.9
151.05106	1.1
153.01823	6.7
153.06918	1.5
157.06522	2.1
159.08047	1.0
161.05949	2.9
163.03886	2.5
169.06471	1.3
171.04375	1.4
179.03349	2.0
181.06387	2.3
189.05569	1.8
197.05954	1.5
198.06728	0.8
199.07558	1.8
203.06967	1.2
215.07071	9.2
227.06879	1.9
231.06400	1.4
243.06526	9.8
245.08057	6.0
249.84042	0.9
255.06447	3.8
273.07541	22.7
273.12027	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0755
Annotation	HYDRAMACROPHYLLOL A
Peak:m/z	Relative Intensity
51.02390	0.5
53.03945	0.5
53.25700	0.2
61.69242	0.4
67.05488	0.9
68.99784	2.1
69.33890	0.4
69.34298	2.7
70.66066	0.3
77.03913	1.1
83.04972	0.5
91.05467	0.7
95.04966	5.4
105.03376	1.6
107.04939	5.0
111.00774	1.6
111.04430	0.7
114.75652	0.3
119.04945	5.7
121.02851	0.5
123.04418	100.0
124.04742	1.1
127.03896	0.5
129.07042	0.4
133.06461	0.4
135.04408	7.5
136.05199	0.4
137.02428	0.3
139.03879	2.1
147.04393	6.2
149.02324	0.8
150.70322	0.3
151.03911	3.1
153.01826	1.0
153.06961	0.4
161.05978	1.0
163.03896	10.0
163.07555	0.9
181.06425	0.8
185.05952	0.4
189.05443	2.1
199.07516	0.9
203.07088	0.4
209.05887	0.4
215.07040	0.6
227.02332	0.4
227.07137	0.7
231.06532	0.4
243.06483	0.8
245.08084	1.0
255.06412	1.6
273.07547	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	273.0756
Annotation	Hydramacrophyllol B
Peak:m/z	Relative Intensity
51.02364	0.6
53.03927	0.4
55.01860	0.5
58.18572	0.4
65.03932	0.4
67.05486	1.3
67.57738	0.3
68.99788	1.8
70.61559	0.8
70.61880	0.5
70.62243	0.4
77.03912	1.0
81.03409	0.4
85.06503	0.3
91.05463	1.1
93.07043	0.5
95.04947	3.4
105.03373	1.5
105.07057	0.4
107.04953	5.3
109.10101	0.4
111.00780	2.1
111.04410	0.4
112.49994	0.4
115.42948	0.4
117.03395	0.4
119.04931	7.4
121.02886	0.4
123.04419	100.0
124.04738	1.2
127.03905	0.5
128.06192	0.4
133.06424	0.7
133.10086	0.4
135.04408	9.0
137.88785	0.4
139.03871	3.7
143.04909	0.5
145.06516	0.5
147.04399	7.0
149.02347	0.8
151.03868	2.8
153.01843	2.6
153.06966	0.6
161.05975	1.1
163.03897	9.6
163.07552	1.1
177.25476	0.3
181.06467	1.3
189.05435	2.7
199.07495	0.8
203.61838	0.4
209.01677	0.4
213.05495	0.8
215.07059	0.9
227.06955	1.2
231.06531	1.6
243.06491	0.9
245.08034	1.1
255.06480	1.5
273.07544	27.0
273.18582	0.6
273.21893	0.4
274.08081	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	273.0755
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.04667	0.5
51.67036	0.4
66.37001	0.4
67.01864	2.9
68.99794	2.1
69.03423	1.2
70.75871	1.4
77.00814	0.4
80.25776	0.4
83.01351	0.7
86.07139	0.4
87.36392	0.4
91.05477	4.8
95.04975	2.5
97.02871	0.8
107.04956	2.5
111.00787	0.6
119.04940	19.3
121.02840	0.8
123.03551	0.9
123.04424	13.2
127.03913	0.7
139.03915	0.7
147.04402	43.5
148.04758	0.7
151.03915	1.4
153.01822	100.0
154.02216	1.4
161.05943	0.5
163.03845	0.5
171.02895	4.1
179.03432	0.5
189.05444	0.9
255.06578	0.9
273.07559	90.7
274.07907	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0755
Annotation	Hydramacrophyllol B
Peak:m/z	Relative Intensity
51.02367	0.8
53.03945	0.7
64.54048	0.3
67.05490	1.1
68.99789	1.4
69.75037	1.5
69.75459	0.6
77.03925	0.9
79.05463	0.3
81.07050	0.5
85.02924	0.3
91.05463	1.3
95.04964	4.7
95.08599	0.4
105.03387	1.6
105.07021	0.3
107.04947	5.1
111.00808	2.5
119.04099	0.5
119.04940	9.5
119.08598	0.4
121.02881	0.4
123.04416	100.0
124.04758	1.1
127.03905	0.4
133.06467	0.8
135.04414	6.9
136.05170	0.4
139.03893	2.8
145.06467	0.5
147.04399	7.6
149.02296	0.9
151.03880	4.5
153.01807	2.1
153.06989	0.4
157.06456	0.3
157.10167	0.4
161.05977	1.1
163.03894	7.2
163.07556	1.1
171.08139	0.4
173.05867	0.3
175.07515	0.3
175.50203	0.3
177.85187	0.3
181.06493	0.8
185.05983	0.3
189.04054	0.4
189.05487	2.9
199.07559	1.2
213.05473	0.8
215.07004	0.8
227.06992	0.8
231.06525	1.1
243.06407	0.6
245.08047	1.5
255.06520	1.5
273.07553	23.9
273.18469	0.5
273.25760	0.4
274.07861	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04660	0.5
67.01871	2.3
68.99799	2.0
69.03420	1.3
69.84502	3.0
75.23335	0.5
79.09216	0.5
91.05474	4.9
95.04965	4.7
97.02871	0.6
97.39697	0.5
98.21263	1.4
107.04951	6.0
117.84770	0.5
119.04931	27.5
121.02835	1.0
121.06529	0.7
123.04421	13.5
123.05305	0.7
123.83117	0.4
126.79901	0.4
132.58850	0.5
133.06493	0.8
139.03868	0.7
147.04399	44.2
148.04846	0.6
149.02339	0.7
150.58293	0.4
151.03909	3.0
153.01817	92.6
154.02086	0.7
161.05948	0.7
165.10793	0.5
171.02866	4.4
179.03360	1.0
189.05452	1.8
207.86029	0.6
215.06851	0.6
231.06526	0.6
243.06468	1.3
245.08139	0.8
255.06512	0.8
257.73373	0.5
273.07553	100.0
274.07816	2.1
277.87125	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0754
Annotation	Hydramacrophyllol B
Peak:m/z	Relative Intensity
53.03940	1.2
65.03947	1.0
67.05492	1.0
68.99771	2.8
70.58702	2.2
81.71626	0.9
91.05494	3.9
93.03397	0.7
95.04964	22.9
98.21354	0.8
102.85929	0.7
105.07038	1.0
107.04945	27.3
111.00786	2.6
119.04933	74.1
120.05307	0.7
121.02853	4.9
123.04418	100.0
124.04787	1.0
133.06505	3.6
135.04390	2.0
139.03879	7.3
145.06566	1.5
147.04396	14.9
149.02316	6.2
151.03885	14.2
153.01814	6.3
161.05956	3.1
163.03894	1.0
169.06508	0.8
179.03363	1.2
189.05577	0.8
197.06032	1.3
215.07007	6.8
225.05519	0.9
227.07050	1.7
231.06531	1.6
243.06488	7.7
245.08057	5.5
255.06448	3.2
273.07562	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	273.0756
Annotation	Hydramacrophyllol B
Peak:m/z	Relative Intensity
53.03945	1.6
57.70853	0.9
67.05509	1.8
68.54170	0.7
68.99785	2.4
69.31464	9.7
76.48679	0.8
83.05008	1.0
86.55485	0.9
91.05479	5.6
95.04968	30.0
105.07005	1.2
107.04953	40.3
107.08604	0.8
111.00803	0.9
111.04476	1.1
111.57992	0.8
115.05519	0.9
119.04941	100.0
121.02858	5.5
123.04428	75.7
124.04783	1.1
127.04017	1.0
128.62181	0.8
133.06499	6.3
139.03902	9.2
145.06490	2.6
146.57310	0.7
147.04408	18.2
149.02325	8.4
151.03903	20.2
151.05119	1.3
153.01840	3.6
153.07100	0.9
157.06456	1.7
161.05992	3.9
169.06483	0.9
171.04388	1.8
179.03410	1.8
185.05980	1.1
187.07588	1.1
189.05486	2.1
197.05865	0.9
199.07634	2.1
206.64748	0.9
215.07031	7.9
227.07149	1.5
231.06630	1.3
243.06490	9.5
245.08092	5.1
255.06538	4.2
273.07535	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	273.0755
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
53.03941	0.5
54.58807	0.4
64.01707	0.4
64.17026	0.4
65.03927	0.4
65.52312	0.4
66.49636	0.4
67.01859	5.6
68.99783	2.6
69.03413	1.5
70.07515	1.3
70.07929	0.6
81.03417	0.9
81.07043	0.6
91.05466	6.2
94.98797	0.4
95.04964	5.4
97.02885	1.2
98.20772	0.5
98.21352	0.5
107.04948	8.4
111.00799	1.0
119.04932	26.8
121.02868	1.3
121.06483	1.7
123.04418	17.0
123.05314	1.0
123.66572	0.4
125.02332	1.0
127.03929	0.5
129.01923	0.5
133.06444	1.3
139.03918	1.6
147.04398	38.3
148.04745	0.5
149.02321	1.9
151.03917	3.9
153.01814	100.0
154.02136	0.9
168.88309	0.4
171.02885	20.2
179.03375	2.0
189.05464	1.1
215.07050	1.5
231.06407	0.6
243.06432	1.8
245.08089	1.0
255.06517	0.9
273.07547	86.3
274.07953	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0757
Annotation	2beta-5,7-Trihydroxyflavanone
Peak:m/z	Relative Intensity
53.03952	0.6
65.03929	1.1
67.01858	1.6
67.05502	1.6
68.99778	2.9
69.03426	1.5
69.07071	0.9
69.66522	3.0
72.13354	0.5
74.03094	0.4
77.03972	0.5
79.43644	0.4
81.07043	2.1
85.02863	0.5
87.39108	0.5
91.05476	7.5
95.04964	12.8
95.08595	1.4
97.02882	1.6
98.20652	0.7
105.07005	0.8
107.04956	16.1
107.08633	0.6
109.10133	0.8
111.00812	1.7
119.04942	54.2
120.05238	0.6
121.02876	2.7
121.10149	1.0
123.04427	51.0
133.06482	1.4
135.04384	1.2
139.03900	3.8
142.65477	0.5
147.04408	49.3
148.04688	0.7
149.02330	4.2
151.03906	9.6
153.01826	100.0
154.02141	0.7
157.06464	0.8
161.05994	1.0
163.03870	1.1
171.02939	2.6
171.04225	0.7
179.03404	1.6
185.05913	1.0
189.05458	2.0
197.06015	0.8
199.07632	0.9
213.05428	0.5
215.07040	4.6
222.86221	0.5
225.05338	0.8
231.06552	0.9
232.61957	0.5
243.06541	3.8
245.08104	2.3
255.06525	2.1
258.05124	0.5
273.07565	85.7
274.07928	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0755
Annotation	Hydramacrophyllol B
Peak:m/z	Relative Intensity
53.03938	1.8
53.67933	0.4
55.01851	0.4
64.52994	0.4
65.03939	1.1
65.73820	0.4
67.05497	1.4
68.99783	2.2
69.86648	2.9
77.03914	0.6
79.05491	0.7
81.03400	1.0
83.04927	0.6
84.24142	0.5
91.05471	7.3
94.18423	0.5
95.04955	30.1
98.20937	1.0
103.98455	0.4
105.04512	0.7
105.07020	1.2
107.04945	41.4
111.00760	0.7
111.04470	0.5
117.07086	0.5
119.04929	100.0
120.05272	1.3
121.02847	6.0
123.04416	73.9
124.04753	0.9
127.03884	1.1
128.06213	0.6
133.06491	6.4
135.04431	0.7
139.03882	7.1
141.06955	0.5
145.06470	2.4
147.04395	20.2
149.02325	10.0
151.03893	19.8
151.05119	1.0
153.01808	3.2
153.06973	0.6
157.06497	1.5
157.51256	0.6
161.05948	3.7
167.03386	0.9
169.06407	1.0
171.04402	1.7
179.03423	2.4
181.06473	1.2
185.05978	0.7
187.07553	1.4
189.05444	2.5
197.06042	0.8
199.07553	1.2
203.06993	0.7
213.05464	0.9
215.06998	8.4
225.05525	0.6
227.07001	1.5
231.06451	2.0
242.05765	0.5
243.06525	9.9
245.08060	6.9
255.06512	4.1
273.07535	15.1
273.10538	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0757
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.01604	0.7
53.03937	1.3
53.23294	0.7
56.96584	1.2
65.03933	1.4
67.05504	1.6
68.99775	3.3
71.04990	0.8
71.13448	1.7
71.13799	1.0
79.05486	1.2
81.07052	0.8
83.04971	1.1
91.05466	11.9
92.05818	2.1
93.07002	1.0
95.04968	28.3
98.20851	0.8
98.97578	1.2
105.03353	0.8
107.04954	39.9
107.08599	1.3
111.00813	2.1
111.04431	0.8
115.05560	0.8
119.04940	97.2
121.02895	5.3
123.04426	100.0
124.04771	1.0
133.06494	4.9
133.10101	0.9
135.04449	1.5
139.03888	9.0
141.07011	1.5
145.06483	1.1
147.04410	19.2
149.02328	11.9
151.03908	22.5
153.01825	7.8
153.06973	1.0
157.06441	1.3
161.06009	3.6
163.03900	1.2
163.07463	1.0
169.06482	1.7
171.02817	0.8
179.03412	1.8
181.06496	1.4
185.05981	1.4
189.05472	2.2
199.07576	2.8
202.26750	0.8
207.64796	0.8
215.07042	9.9
227.07114	1.6
243.06525	10.4
243.58707	0.8
245.08080	6.3
252.09320	3.8
252.59370	0.9
255.06458	6.3
273.07593	25.7
273.12195	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1439
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
51.80693	0.9
55.05516	2.3
57.07059	1.5
67.01873	1.0
67.05494	5.8
68.99781	2.3
69.07053	4.9
69.26696	1.1
69.27000	12.5
79.05480	2.4
81.07069	7.9
83.08596	2.7
91.05465	3.1
93.07030	3.0
95.04955	1.1
95.08598	4.6
97.06503	1.3
97.10142	1.0
103.05418	1.0
103.71658	0.9
105.07024	3.2
107.08595	2.2
108.08118	1.1
109.10168	2.1
111.08038	1.1
119.04945	2.9
119.08569	3.6
121.06482	1.6
121.10117	1.7
129.07036	2.0
131.08539	1.8
133.10117	2.9
143.08540	1.6
145.06516	1.0
145.10103	2.3
147.08005	5.5
147.11674	1.2
148.07535	1.0
153.01820	6.0
155.08524	1.4
156.09331	1.0
157.10132	1.8
158.05978	1.3
159.08005	1.3
159.09195	2.5
159.11653	1.9
161.13214	1.2
165.06949	1.9
168.08073	6.9
169.08821	2.6
169.10159	2.0
171.02840	2.0
171.08072	2.1
171.11620	1.2
173.09616	2.6
175.11278	1.3
182.09651	2.6
183.10402	9.0
183.11687	1.2
185.09587	2.8
197.09758	2.1
198.12747	5.5
199.08684	2.7
201.05418	2.2
201.12711	2.4
210.09163	1.2
210.11482	1.3
211.11340	1.4
212.09372	2.9
213.10240	5.6
213.12715	1.2
214.10985	1.7
215.07004	1.6
215.15488	2.0
217.19530	1.1
225.05484	1.4
226.12311	8.1
227.11761	21.7
227.14021	1.0
228.12544	17.2
229.04935	1.7
241.09589	1.7
243.14980	11.3
243.17276	1.7
253.15807	3.4
255.11263	48.3
256.12054	56.0
269.12903	2.4
271.06018	76.2
271.09305	2.5
271.14389	100.0
271.20413	5.6
272.06277	3.6
272.14496	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97701	0.1
53.70508	0.1
55.05511	0.1
57.07071	0.1
59.90045	0.1
61.37481	0.1
63.31129	0.1
65.03928	0.1
67.01521	0.1
67.01859	1.4
67.05495	0.1
68.99779	1.1
69.03397	0.1
69.07050	0.2
71.58507	0.1
71.58901	0.1
79.05468	0.1
81.07032	0.3
83.01319	0.1
83.04987	0.1
85.02898	0.1
85.06518	0.1
91.05476	1.2
93.07009	0.1
95.04971	0.1
95.08585	0.1
97.02894	0.1
105.07034	0.1
107.04962	0.1
107.24039	0.1
109.10146	0.2
111.00813	0.2
119.04935	4.4
120.05202	0.1
121.02859	1.8
125.02374	0.1
127.03928	0.1
127.11154	0.1
129.01826	0.5
133.10101	0.1
135.08070	0.1
135.11679	0.1
136.06601	0.1
141.06963	0.3
145.02834	1.4
145.06471	0.1
153.01816	9.0
154.02106	0.1
157.06424	0.1
161.05978	0.1
163.03889	1.1
165.06978	0.1
169.06506	0.3
171.02881	2.5
173.05959	0.2
183.04439	0.1
187.03882	0.3
188.15141	0.1
197.06023	0.4
201.05496	0.1
202.06256	0.1
203.07048	0.4
215.06970	0.2
217.19493	0.1
225.05432	0.8
229.04953	0.7
243.06483	0.7
247.06010	0.2
253.04909	0.2
271.05991	100.0
272.06317	1.5
272.09259	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.3
57.07059	0.2
67.01862	1.1
67.05488	0.3
68.99785	4.7
69.07055	0.4
71.04993	0.2
71.59811	0.2
79.05500	0.2
81.07029	0.4
83.08607	0.3
91.05478	1.1
93.07028	0.5
95.04994	0.2
95.08613	0.3
101.01723	0.2
105.07018	0.3
107.08548	0.2
109.10155	0.3
111.00788	0.6
112.57944	0.2
115.05430	0.3
119.04929	3.6
119.08591	0.3
121.02844	0.8
121.10131	0.2
123.04424	0.2
125.02326	0.2
125.35982	0.1
129.01823	0.4
129.06978	0.2
131.04913	0.4
137.02277	0.2
141.07004	0.8
145.02831	0.9
145.06462	0.4
147.04376	0.2
147.08025	0.3
153.01816	7.1
153.06958	0.4
155.04906	1.1
157.06473	1.0
159.04431	0.3
163.03880	0.7
165.07008	0.2
169.06444	0.8
171.02870	1.2
173.05956	2.9
173.09561	0.4
175.07584	0.3
181.06503	0.3
183.04388	1.6
183.08014	0.3
185.06024	0.9
187.03842	0.7
197.06007	1.8
201.05481	2.5
203.07028	1.4
208.24167	0.2
211.03915	0.4
213.05510	0.2
215.06984	0.5
215.54762	0.2
225.05446	1.6
229.04956	4.3
243.06573	1.2
253.04904	1.2
257.08551	0.5
271.05988	100.0
272.06326	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0598
Annotation	5,7,2'-Trihydroxyflavone
Peak:m/z	Relative Intensity
55.01867	0.8
55.05499	0.5
57.07058	0.8
60.50204	0.3
67.03580	0.3
67.05476	0.4
68.99789	21.4
69.07076	0.7
70.53799	1.2
70.54135	0.3
77.21110	0.3
79.05481	0.6
81.07051	0.4
91.05473	0.9
93.07059	0.4
95.08614	0.4
97.06503	0.4
111.00822	2.5
114.03397	0.3
115.05447	1.1
117.07018	0.6
119.04953	0.3
119.08573	0.5
120.08097	0.6
128.06210	0.8
129.07007	1.8
131.04932	1.2
131.08560	0.4
133.10170	0.4
134.59718	0.3
135.04355	0.4
137.02344	0.5
139.05444	0.6
141.06966	3.9
145.06491	1.5
145.10196	0.4
147.04468	0.6
147.08073	0.8
147.11665	0.4
149.02348	0.7
153.01828	0.8
153.06947	0.7
155.03706	0.7
155.04922	7.9
157.06482	5.5
159.04436	2.0
161.05968	0.9
163.03944	0.4
164.87637	0.3
167.04814	0.4
169.06480	5.7
173.05972	14.0
175.03981	0.3
175.07559	1.0
177.05428	1.0
181.06441	1.0
183.04419	10.6
185.05966	4.7
187.03862	5.9
187.05234	0.5
187.07524	1.1
197.05966	10.4
198.06667	0.4
200.04697	0.8
201.05457	15.6
202.06061	0.6
203.07033	8.2
211.03882	1.8
215.06995	5.2
225.05446	8.0
225.07594	0.5
226.06177	0.8
229.04953	23.5
243.06522	8.9
243.15010	0.7
253.04967	5.7
254.05847	0.4
271.06006	100.0
272.06265	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0586
Annotation	Apigenin
Peak:m/z	Relative Intensity
55.05500	0.1
65.03927	0.1
67.01859	1.2
67.05476	0.2
68.99776	1.1
69.07046	0.1
70.97078	0.3
71.66714	0.1
81.07034	0.2
91.05465	1.2
92.36050	0.1
109.02891	0.1
109.10101	0.1
111.00811	0.2
119.04927	4.4
121.02847	1.7
125.02309	0.1
126.83440	0.1
129.01820	0.3
136.53398	0.1
141.06961	0.2
145.02831	1.6
153.01811	9.4
161.05951	0.1
163.03876	0.9
169.06444	0.3
171.02873	2.1
173.05948	0.2
187.03845	0.3
197.05980	0.4
201.05484	0.2
203.07005	0.4
215.07011	0.2
225.05414	0.7
229.04938	0.6
229.06923	0.1
243.06546	0.8
245.77512	0.1
247.06015	0.2
253.04935	0.2
271.05975	100.0
272.06265	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2263
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
53.03925	1.0
55.05269	0.9
55.05509	12.8
57.03448	4.4
57.07059	3.8
65.03931	1.0
67.05183	0.9
67.05508	15.0
69.03444	0.9
69.06722	1.5
69.07066	20.3
70.17535	0.8
70.63036	2.3
70.63390	1.2
71.04965	1.1
71.08630	1.6
79.05494	12.3
81.03395	1.5
81.06576	1.6
81.07054	26.2
83.04958	2.4
83.08630	8.0
87.05970	0.7
91.05479	12.4
93.06471	1.6
93.07039	23.8
95.04974	2.2
95.08599	17.4
97.06526	2.6
97.10166	4.1
103.05338	0.9
103.54958	0.8
103.55624	0.8
105.07032	17.4
106.45412	0.8
107.08597	19.6
109.06532	1.6
109.10150	11.5
111.08068	1.6
111.11754	1.0
116.98598	0.9
117.07031	6.0
119.08580	16.2
121.10142	14.5
123.11711	7.5
125.13257	1.9
128.06221	1.9
129.07008	4.8
130.07768	1.2
131.08562	29.5
133.10132	14.6
135.11690	11.8
137.09679	0.9
137.13258	2.0
141.07010	1.3
142.07774	2.3
143.08553	12.3
144.09309	2.4
145.10118	19.4
147.08041	1.7
147.11699	9.4
149.13252	9.0
151.11232	1.1
155.08540	1.9
156.09328	2.3
157.10124	15.7
158.10808	0.9
159.10440	1.3
159.11693	13.6
161.13245	7.9
163.14865	1.5
169.10110	3.0
170.10861	1.4
171.11710	15.7
173.09602	1.8
173.13254	10.1
175.14816	5.3
177.12811	1.8
183.10011	1.1
183.11597	4.4
185.09560	2.4
185.13248	15.3
187.14807	6.5
189.16327	1.7
195.13797	2.8
197.13249	3.0
198.10271	1.5
198.14093	1.0
199.11128	3.0
199.14836	12.0
200.15553	1.5
201.16374	3.5
211.14838	3.7
213.12766	3.0
213.16377	14.4
214.17186	4.0
215.17906	1.6
226.17130	7.6
227.17899	9.2
228.18648	1.2
241.19370	1.8
251.20015	2.6
269.07932	1.9
269.12064	1.8
269.17444	6.7
269.19217	3.8
269.22623	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03928	3.3
55.01858	2.5
55.05260	1.5
55.05503	20.9
56.96540	3.0
57.03436	32.5
57.07072	7.5
58.58792	0.8
60.12187	0.9
65.03922	2.2
67.05500	71.5
69.03416	2.0
69.07063	34.3
69.64498	2.0
69.64900	7.4
71.04993	8.5
71.08616	2.0
73.02882	1.1
78.10249	1.0
79.05486	40.6
81.03398	1.4
81.07051	100.0
83.04977	11.1
83.08624	19.7
85.02889	3.8
85.06537	6.9
90.06327	0.9
91.04965	1.5
91.05474	21.0
93.07037	72.9
95.04967	8.3
95.08601	30.8
97.06521	16.4
97.10152	3.4
98.06098	0.9
98.97565	3.4
99.08067	5.5
104.44854	0.8
105.04538	1.3
105.07013	10.2
107.04960	1.2
107.08585	42.0
109.06496	4.2
109.10149	7.8
111.08061	11.7
111.11644	1.1
113.05993	1.3
113.09660	1.0
116.98607	2.8
117.07017	8.9
119.08574	8.4
121.06487	1.7
121.09310	1.7
121.10138	25.6
123.08054	1.6
123.11696	4.6
125.05964	0.9
125.09605	2.1
129.07027	1.9
131.08554	14.7
133.10114	10.7
135.05505	1.0
135.08035	2.9
135.11694	12.5
139.11180	2.0
143.08537	3.3
145.10095	4.9
147.11693	4.6
149.09590	2.2
149.13252	51.6
151.11230	1.6
157.10109	5.1
158.99644	1.4
159.11678	27.9
161.13216	2.3
167.14351	1.3
171.11665	2.5
173.13252	4.7
175.14798	2.0
177.00708	2.3
177.12762	11.4
185.13190	2.5
185.69579	1.1
195.13786	18.5
199.14772	2.0
205.08029	2.9
213.14607	1.4
213.16373	4.7
215.17880	1.4
216.58800	1.5
219.01744	1.2
229.04164	1.0
233.18842	1.4
238.31569	1.1
241.08629	1.0
244.45561	1.1
251.20045	3.1
258.50073	1.1
269.07901	2.4
269.11697	3.6
269.17450	68.5
269.22412	20.0
270.17978	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Trichotriol
Peak:m/z	Relative Intensity
55.05498	19.6
57.03438	41.0
61.99391	3.7
63.20122	4.0
64.08073	4.1
67.05167	6.8
67.05502	83.5
69.07070	37.0
69.83147	27.6
71.04975	5.6
79.05485	50.0
81.07057	100.0
83.04974	7.3
83.08620	16.3
85.06508	4.9
91.05498	22.8
93.07036	76.9
95.04993	9.9
95.08597	29.8
97.06516	18.2
98.21439	4.4
99.08067	5.8
104.99252	5.5
105.07041	9.7
105.94645	3.9
107.08588	46.1
109.06525	5.9
109.10110	5.7
111.08064	10.7
117.06990	7.0
119.50670	4.6
121.10152	24.8
123.11694	4.3
131.08560	12.3
133.10136	10.8
135.11621	10.9
149.13251	66.9
159.11713	17.8
171.37790	4.0
177.12784	8.4
189.59818	4.6
195.13762	21.2
211.10783	5.0
269.11771	7.5
269.17441	68.2
269.22504	5.9
271.87842	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	269.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.6
55.01846	3.4
55.05507	19.0
56.96553	2.9
57.03435	35.1
57.07070	8.2
62.10004	1.4
65.03931	1.9
67.05501	71.4
69.07059	33.0
69.96686	5.7
71.04998	6.7
71.08619	2.5
79.05487	43.4
81.03391	2.6
81.07052	100.0
83.04977	10.9
83.08617	18.8
85.06515	6.3
91.04974	1.9
91.05481	22.7
93.07040	68.7
95.04967	8.7
95.08599	36.1
97.06525	12.9
97.10159	3.3
98.97583	2.7
99.08068	3.8
101.06013	1.3
105.07022	19.4
107.07861	2.4
107.08586	44.1
109.06480	3.6
109.10164	10.4
111.08080	7.3
111.11708	2.9
113.05964	1.7
113.09600	1.6
116.98609	1.6
117.07005	9.2
119.08562	13.5
121.06527	2.3
121.10139	27.1
123.08054	2.3
123.11694	4.2
127.07542	2.0
129.06981	2.2
131.08554	16.4
133.10097	14.7
135.08110	2.3
135.11682	12.9
137.13225	1.9
139.07449	1.5
139.11171	3.0
142.07748	2.8
143.08516	7.4
145.10135	10.1
147.11671	7.9
149.09621	2.7
149.13240	53.4
155.08510	1.8
157.10107	9.4
159.11681	28.8
161.13260	5.9
171.11659	5.6
173.13275	7.9
175.14761	4.6
177.12712	11.1
185.13243	6.8
187.14761	4.2
189.16292	1.9
195.13791	17.8
199.14790	5.9
211.10861	2.3
213.14964	1.2
213.16400	10.5
215.17958	1.7
227.17978	2.5
241.19412	2.1
251.20018	3.3
268.24219	1.4
269.07999	1.4
269.11557	5.0
269.17404	61.6
269.22556	56.2
269.24680	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Kobusimin B
Peak:m/z	Relative Intensity
53.03936	3.1
53.77336	1.2
55.01862	2.5
55.05507	23.7
57.03431	39.0
57.07061	6.3
65.03928	1.7
67.05498	81.9
69.03414	2.7
69.07059	34.8
71.04990	8.1
71.08613	1.9
71.60391	2.9
79.05487	47.6
81.07048	100.0
82.07352	1.7
83.04963	12.3
83.08609	20.6
85.02885	1.4
85.06514	8.4
91.05479	24.9
93.07032	75.8
94.07347	1.5
95.04955	8.4
95.08595	37.6
97.06514	19.6
97.10133	5.2
98.97538	2.2
99.04484	1.6
99.08086	6.7
105.07005	10.3
107.08585	40.1
109.06510	4.1
109.10143	8.8
111.08054	10.4
113.05977	1.4
113.09621	1.6
116.98592	2.5
117.07008	10.7
119.08587	5.8
121.06499	2.9
121.10129	29.6
123.11704	5.5
125.09587	2.0
129.06969	1.6
131.08525	13.0
133.10127	13.6
135.08037	3.5
135.11670	11.8
139.11185	3.6
145.10127	2.7
147.11655	4.7
149.09627	1.8
149.13239	60.6
151.07523	2.4
151.11182	1.9
153.09053	3.0
157.10089	2.4
159.11679	25.3
171.11655	1.9
173.13306	2.8
177.12737	14.2
186.51035	1.5
187.14732	2.4
195.13799	17.3
196.84285	1.8
199.14851	1.7
211.11012	2.3
215.18036	3.1
240.12724	1.8
251.16286	2.6
251.20076	3.0
253.04857	2.1
269.04355	2.5
269.08096	5.6
269.12906	2.6
269.17447	62.2
269.22098	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	269.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.0
55.01862	2.8
55.05268	1.9
55.05511	24.4
56.96548	1.7
57.03436	35.0
57.07076	7.1
59.07175	1.5
59.42783	1.3
64.32314	1.3
65.03928	2.9
67.05502	80.5
69.07064	37.9
71.04984	6.1
71.60220	1.6
71.60571	1.5
72.90647	1.4
75.20770	1.3
79.05491	43.5
79.05953	2.2
81.03428	1.8
81.07053	100.0
83.04988	10.3
83.08614	23.1
85.06528	6.5
91.05476	25.7
93.07040	76.3
95.04957	8.5
95.08604	34.5
97.06527	16.5
97.10168	6.8
99.08076	5.6
105.07024	16.9
107.08592	47.4
109.06506	3.6
109.10149	10.1
111.08038	9.2
111.11760	1.5
113.05984	2.9
113.09624	2.1
117.07024	10.6
119.08589	9.9
121.06508	1.6
121.10143	28.4
123.11732	8.4
128.06284	1.8
129.07021	3.7
131.08560	28.1
133.10110	17.6
135.08057	2.5
135.11684	14.7
139.11147	2.1
141.06903	1.9
142.07779	2.2
143.08588	7.3
144.09315	1.9
145.10086	11.6
147.11668	3.5
149.13249	59.8
153.09009	2.1
157.10123	8.1
159.11679	24.8
161.13254	3.5
170.11049	2.2
171.08044	3.0
171.11710	8.2
173.13239	5.2
175.14847	3.5
177.12740	13.4
183.11674	3.2
185.13206	8.0
187.14853	3.3
195.13768	15.9
199.14828	4.1
208.08931	1.7
211.10812	2.8
211.14780	3.5
213.14626	2.1
213.16449	7.6
223.11230	3.5
226.17148	4.9
227.17838	3.9
241.12149	2.9
251.19987	2.9
269.11734	13.8
269.14505	3.3
269.17462	66.3
269.22592	53.7
269.25525	2.8
270.17847	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	269.1745
Annotation	Trichotriol
Peak:m/z	Relative Intensity
52.65954	1.0
53.03931	2.7
55.01853	4.9
55.05270	1.2
55.05505	20.0
56.96539	1.3
57.03432	34.2
57.07074	6.2
59.82819	1.0
65.03925	2.5
67.05499	78.2
69.03407	1.8
69.07061	35.7
69.68119	1.9
69.68520	6.2
71.04990	6.5
71.08601	2.1
79.05486	45.1
81.03393	3.1
81.07048	100.0
82.07339	1.3
83.04965	11.0
83.08611	19.0
85.06528	7.6
91.05473	22.9
93.07037	70.7
95.04951	8.4
95.08596	37.0
97.02854	1.5
97.06511	16.1
97.10140	2.9
98.20766	2.0
99.08080	4.3
105.04462	1.4
105.07019	21.1
107.08582	45.6
109.06495	4.0
109.10135	10.9
111.08073	11.1
111.11655	1.9
113.09608	1.7
117.07006	10.8
119.08571	10.0
121.06464	2.8
121.09318	1.7
121.10138	29.7
123.11674	5.1
124.79340	1.0
125.09567	1.9
129.06992	1.7
130.07813	1.7
131.08557	14.2
133.10135	15.8
134.10291	1.1
134.34692	1.1
135.11668	14.8
137.09622	1.3
137.13239	2.0
139.11121	2.6
142.07661	1.4
143.08530	4.5
145.10118	6.4
147.10638	1.2
147.11673	7.5
149.13240	60.8
150.71783	1.1
151.11172	1.5
157.10110	6.1
159.10457	1.9
159.11685	32.3
159.12999	1.7
161.13263	5.7
167.14326	1.4
171.11746	5.5
173.13213	5.8
175.14775	4.6
177.12746	9.2
185.13237	4.8
187.14755	4.0
191.17917	1.3
195.13776	17.6
199.14738	5.6
201.16388	2.3
213.16406	9.4
218.09576	1.1
227.17842	3.3
241.19351	2.0
251.20096	1.8
269.11646	2.8
269.17404	67.3
269.22543	55.4
270.17603	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03929	1.7
55.01853	2.6
55.05502	21.4
56.96550	3.5
57.03431	40.1
57.07065	4.9
65.03922	1.7
67.05497	81.2
68.05807	1.0
69.03405	2.0
69.07062	33.2
69.50551	5.3
69.50982	2.9
71.01347	0.9
71.04993	8.0
71.08620	0.8
73.02909	1.0
74.52122	1.0
79.05485	47.0
81.03396	2.6
81.07047	100.0
82.07413	1.3
83.04968	12.2
83.08136	1.8
83.08603	18.6
85.06539	6.3
89.95894	0.9
91.05474	25.3
91.56010	0.8
93.07034	73.9
95.04964	8.3
95.08601	28.4
95.09150	0.5
97.05917	0.9
97.06526	16.4
97.10144	3.1
99.04482	1.3
99.08086	4.2
102.60129	1.0
105.04515	1.0
105.07024	9.7
107.08582	38.0
109.06514	2.5
109.10123	5.3
111.08063	12.0
111.11692	2.4
113.09631	2.0
117.06995	8.7
119.08558	3.8
121.06448	1.9
121.10128	27.4
123.11684	4.1
127.07553	1.1
129.05438	1.0
129.07025	1.3
131.08556	10.8
133.06461	2.0
133.10118	10.0
135.08022	2.0
135.11681	14.0
139.07524	1.6
139.11150	4.0
145.10106	1.6
147.11676	3.2
149.13237	63.4
150.13542	1.1
153.09036	1.3
159.11658	23.3
161.05934	3.1
167.14297	1.7
177.12729	13.2
195.13789	19.9
198.09169	0.9
213.14766	1.9
230.55511	1.1
251.20053	1.1
269.17444	83.2
270.17670	2.1
293.07352	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	Arteincultone
Peak:m/z	Relative Intensity
50.00948	2.9
52.05736	2.7
53.52121	2.8
55.01848	4.4
55.05508	23.5
57.03434	41.5
57.07062	8.9
58.30243	2.7
58.66618	2.9
66.69730	2.9
67.05498	86.7
69.07060	36.1
70.07384	3.4
71.04978	5.6
71.08635	4.2
71.62096	4.6
79.05483	38.7
81.07046	100.0
83.04973	8.7
83.08608	23.6
85.06545	9.2
91.05481	25.5
93.07034	79.4
95.04951	10.3
95.08595	32.1
96.48852	2.8
97.06504	15.5
99.08073	6.4
105.07034	14.1
106.95043	3.0
107.08583	43.9
109.06487	3.2
109.10133	7.2
111.00786	2.9
111.08080	14.5
115.61278	3.0
117.07000	9.1
119.08573	7.3
121.10114	27.7
131.08572	13.0
133.10144	15.1
135.11702	11.3
139.00261	10.3
139.11082	5.2
149.13240	63.5
150.81061	2.8
157.01303	14.6
159.11690	26.0
161.13248	4.3
162.22493	3.1
177.12749	12.1
195.13782	18.0
269.11533	3.9
269.17346	61.0
269.22263	20.7
285.47867	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	269.1744
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.55783	2.5
55.01859	4.1
55.05512	25.3
57.03435	34.8
57.07072	5.4
65.03901	3.2
67.05501	78.5
69.07062	37.0
69.88206	2.6
69.94476	5.9
69.94900	10.5
71.04974	6.4
79.05052	3.8
79.05486	45.3
81.03395	4.1
81.07055	100.0
83.04987	12.5
83.08604	20.5
85.06515	4.0
91.05467	17.7
93.06473	5.3
93.07038	85.0
95.04946	8.3
95.08598	25.0
97.06543	15.7
97.10162	3.7
99.08070	4.9
103.76845	2.3
104.99258	4.4
105.07011	8.4
107.08578	43.3
109.06486	3.1
109.10127	5.3
111.08065	11.5
113.09676	2.9
117.06972	6.8
119.08587	4.1
121.06490	3.4
121.10126	24.9
131.08524	7.3
133.10109	11.5
135.08098	3.1
135.11671	9.7
139.11163	3.1
147.11687	3.1
149.13249	59.8
159.11713	22.8
167.14406	3.0
171.08041	3.8
177.12700	13.9
183.11629	2.5
195.13814	19.7
223.11136	3.6
241.12199	4.5
269.11691	21.0
269.17471	91.3
269.22369	6.0
272.38931	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	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
50.75056	1.4
52.02786	1.1
53.03932	2.5
55.01854	3.5
55.05510	19.2
57.03438	35.8
57.07053	5.1
59.43686	1.2
59.47514	1.5
63.88087	1.3
67.05504	77.4
67.34680	1.1
69.03391	2.1
69.06728	2.3
69.07068	34.7
70.04597	7.0
71.01347	1.5
71.05003	7.3
71.05305	1.2
71.08601	1.5
73.35086	1.4
79.05492	48.0
81.03407	3.2
81.07056	100.0
83.04967	9.3
83.08157	1.3
83.08619	19.8
85.06516	5.2
86.17226	1.2
91.04962	1.9
91.05477	22.1
93.07041	72.6
95.04972	7.5
95.08604	30.7
97.06523	18.3
97.10143	4.0
99.08073	4.9
105.07027	11.0
107.08592	39.9
109.06489	3.6
109.10147	9.7
111.08080	10.2
111.11744	1.9
113.06010	2.2
113.09604	1.6
117.07043	8.3
119.08543	5.5
119.13899	1.4
121.06483	1.8
121.10146	29.0
123.11700	3.8
129.06963	2.6
131.08548	13.2
133.10155	10.8
135.08014	2.7
135.11696	10.3
139.11139	3.7
143.08525	1.7
145.10100	3.7
147.11667	5.0
149.09587	1.8
149.13249	63.0
151.11197	1.8
155.08519	1.4
157.10100	2.7
159.11674	26.0
167.14307	2.1
171.11664	1.9
173.13376	1.9
177.12737	12.6
179.08507	1.4
185.13243	2.9
187.14719	1.8
195.13831	16.5
195.25931	1.3
197.09531	1.8
209.13277	2.0
213.16481	2.0
226.09735	1.5
251.20036	4.3
269.08124	1.5
269.11588	6.3
269.17426	67.4
269.22208	12.0
270.17822	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	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03937	3.1
55.01868	4.2
55.05507	19.6
57.03434	35.9
57.07076	7.5
59.04977	1.3
65.03920	1.9
67.05500	73.5
67.24052	1.3
69.03423	1.6
69.07064	35.6
70.92013	3.7
70.92355	2.4
71.04971	4.6
71.08625	1.9
79.05489	45.3
81.03406	3.0
81.07053	100.0
83.04964	11.6
83.08614	19.4
85.06541	8.9
87.21658	1.4
91.05486	21.5
93.07040	76.4
95.04977	9.7
95.08042	2.4
95.08604	30.4
97.06515	16.0
97.10159	2.0
99.08110	3.6
105.07018	13.6
107.07873	2.3
107.08591	41.1
109.06521	2.4
109.10151	10.7
111.08073	12.5
111.11698	1.5
113.06004	1.4
117.07013	13.3
119.08550	10.1
121.06528	1.8
121.10132	26.0
123.11690	3.9
129.06987	1.8
130.64146	1.4
131.08549	17.0
133.10132	15.3
135.07997	2.7
135.11661	12.7
139.11168	2.2
143.08514	4.7
145.10101	6.4
147.11678	4.2
149.09583	2.0
149.13254	52.8
151.11171	2.0
153.09076	1.6
157.10083	5.0
159.11687	32.0
161.13228	2.9
171.11650	3.6
173.13225	5.0
175.14781	3.7
177.12730	13.8
185.13242	3.1
187.14848	3.9
190.72189	1.8
195.13795	19.1
199.14777	2.4
213.14566	2.1
213.16388	4.2
227.10858	2.1
227.17946	1.7
251.20041	3.6
269.11456	3.9
269.17435	69.2
269.22433	27.9
270.17575	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01869	0.3
56.96539	0.2
57.03427	0.5
61.02942	0.1
68.03326	0.1
69.03430	0.3
71.01360	0.3
71.58379	0.3
73.02917	0.2
75.06556	0.1
82.09369	0.2
85.02882	0.3
87.04475	0.1
94.04082	0.3
97.02879	0.2
102.27744	0.1
110.54565	0.1
115.03945	0.1
119.03534	0.6
123.01208	0.1
136.06181	100.0
137.04549	0.5
137.06641	0.8
178.31349	0.1
268.10397	7.7
269.10748	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01868	0.3
57.03419	0.7
61.02914	0.3
69.03419	0.5
71.01353	0.2
71.60222	0.3
73.02905	0.6
85.02900	1.1
94.04032	0.5
97.02885	0.6
106.05107	0.2
115.03930	0.2
119.01944	0.2
119.03553	0.4
124.03926	0.3
127.03883	0.3
133.04987	0.2
136.06177	100.0
136.95404	0.1
137.04579	0.6
137.06516	0.6
138.05415	0.2
139.03905	0.2
152.54803	0.2
153.01866	0.2
161.02924	0.2
173.02940	0.3
174.04402	0.2
178.07228	0.2
185.02965	0.2
186.54709	0.2
268.07852	1.9
268.10434	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	267.1589
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03906	1.6
55.01839	1.8
55.05485	6.5
57.03437	19.3
67.05499	10.7
69.03426	2.9
69.07076	3.1
71.08620	1.5
78.01880	1.5
79.05492	13.5
81.03411	100.0
81.07056	14.0
83.04945	6.4
83.08622	15.6
91.05478	17.2
91.30685	1.5
93.07050	7.7
95.04958	26.5
95.08595	8.1
97.06490	3.4
97.10139	3.6
98.98452	3.6
105.07023	16.2
107.04930	5.4
107.08573	4.5
109.06475	3.3
109.10144	2.9
111.08054	6.9
119.08559	15.6
121.06496	2.7
121.10140	4.8
121.78049	1.4
123.22266	1.6
128.47508	1.5
129.07005	9.1
131.08534	6.6
133.06500	3.5
133.10080	5.0
137.09547	2.0
142.07721	2.8
147.08069	2.8
147.11716	7.6
149.09593	4.9
157.10129	9.4
165.12766	2.9
175.11201	10.2
193.12236	25.9
211.13205	3.9
250.56981	1.7
267.15881	81.2
267.20880	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	267.1589
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03946	3.6
55.01874	2.0
55.05508	12.9
56.96557	0.9
57.03435	22.2
57.07077	5.5
58.86718	0.6
59.04991	0.6
65.03942	0.6
67.05503	15.7
69.03430	3.3
69.07067	10.9
70.19817	2.6
71.01333	0.8
71.04993	3.4
71.08623	2.6
79.05489	14.8
81.03414	100.0
81.07055	24.7
83.04978	5.0
83.08618	20.9
85.02935	0.7
85.06526	1.9
85.10190	0.7
91.05473	18.6
93.07040	9.3
95.04968	23.2
95.08601	17.8
96.08956	0.6
97.02876	1.8
97.06529	2.2
97.10167	6.9
99.04456	1.0
99.08076	1.0
100.61754	0.6
103.05529	0.7
105.07024	16.2
105.07677	1.3
107.04966	5.7
107.08588	5.5
109.06520	4.3
109.10156	9.3
111.04430	1.2
111.08083	6.6
111.11729	1.6
115.05446	2.1
117.06999	2.0
119.04939	0.8
119.08582	12.6
121.06503	2.7
121.10135	5.7
123.08086	2.1
123.11720	5.1
125.09621	1.1
129.07011	8.4
129.35657	0.7
131.08578	7.4
133.06496	3.6
133.10138	4.6
135.08060	1.5
135.11673	1.3
137.05888	0.8
137.09612	1.6
137.13246	1.7
141.06937	0.9
142.07811	2.3
145.10136	2.6
147.08052	2.4
147.11671	8.2
149.09596	5.3
149.68770	0.6
151.11308	0.8
154.21619	0.6
155.08444	0.7
157.10133	10.1
159.08006	1.0
159.11670	1.1
161.13281	1.1
163.11275	0.8
165.12778	2.1
169.10121	1.1
171.11647	0.9
174.35951	0.7
175.11177	9.5
182.07204	0.7
183.06625	0.9
183.11739	1.2
185.13315	1.1
193.08603	0.7
193.12247	22.1
195.11584	0.9
197.13232	0.9
211.13252	3.4
237.14836	0.9
244.14604	0.6
249.11111	1.4
249.14967	3.0
249.18379	0.9
249.22047	0.9
249.25838	1.3
267.09363	2.5
267.15891	70.4
267.20883	4.4
267.26758	2.2
269.42877	0.6
285.10114	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	267.1588
Annotation	Alliacolide
Peak:m/z	Relative Intensity
52.10303	0.7
53.03927	2.9
55.01844	2.4
55.05509	9.7
56.96552	1.6
57.03195	1.2
57.03435	17.7
57.07061	1.9
59.71630	0.7
65.03916	1.0
65.20288	0.8
67.05172	1.2
67.05501	16.8
69.03415	2.6
69.06783	0.7
69.07065	8.0
70.77472	1.3
70.77834	2.4
71.04971	2.4
71.18443	0.7
78.05502	0.9
79.05488	16.9
81.03413	100.0
81.06581	1.1
81.07050	21.2
83.04984	9.1
83.08141	1.3
83.08607	17.1
85.06526	1.6
85.10123	1.2
91.05479	25.1
93.07040	12.3
95.04967	22.9
95.08603	9.5
97.02854	2.1
97.06519	2.2
97.10158	2.8
99.08073	1.3
105.06395	1.3
105.07031	19.8
107.04973	5.7
107.08592	5.2
109.06506	4.2
109.10143	5.4
111.04402	1.8
111.08078	6.2
115.05399	0.9
117.06970	2.4
119.07798	1.2
119.08579	15.3
121.06490	1.8
121.10157	5.7
123.08060	2.6
123.11726	1.8
128.06250	1.2
129.06990	9.8
131.08560	10.1
133.06468	2.6
133.10118	7.6
135.08058	1.2
137.09622	3.2
142.07808	2.3
143.08565	0.8
145.10081	2.5
147.08031	2.9
147.11662	10.3
149.09616	4.3
155.08548	1.2
157.10143	11.1
159.11722	1.2
160.40405	0.7
163.02698	0.9
163.11079	1.1
165.12759	2.9
169.10139	1.1
175.11163	10.5
193.12233	24.6
203.05853	1.2
205.12167	1.0
211.13206	3.8
231.13773	1.4
249.11105	1.3
249.14844	2.3
249.18561	1.3
267.09274	3.6
267.15884	73.4
267.20920	3.4
285.10052	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	267.1589
Annotation	Alliacolide
Peak:m/z	Relative Intensity
52.38385	1.0
53.03929	3.7
54.50887	1.0
55.01860	1.9
55.05505	7.9
57.03436	23.1
67.05500	12.1
69.03413	2.1
69.07051	3.2
70.78672	3.4
71.04963	2.2
79.05484	13.7
81.03413	100.0
81.07042	13.7
83.04972	5.7
83.08614	16.7
91.05479	16.6
93.07046	9.3
95.04961	23.0
95.08611	7.1
97.02909	1.9
97.06519	2.3
98.98450	2.1
105.07027	16.0
106.09979	1.1
107.04956	5.0
107.08565	3.6
109.06489	3.7
109.10129	2.6
111.08096	8.1
117.07004	1.5
119.08576	12.1
121.06470	1.7
121.10128	5.7
123.08071	2.4
125.09593	1.6
129.07004	8.2
131.08559	7.0
133.06499	3.4
133.10120	5.9
135.11729	1.4
137.09607	1.6
142.07729	1.9
145.10103	1.4
147.08015	3.0
147.11694	9.2
149.09605	5.1
157.10136	10.4
159.11664	1.1
165.12726	2.1
169.10143	1.4
175.11176	12.0
193.12221	24.2
211.13235	2.6
249.14833	1.7
267.15881	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1226
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
55.01861	1.9
55.05502	4.9
57.03427	4.9
57.07062	2.0
61.57776	1.2
67.05492	12.7
69.03432	4.2
69.07059	6.5
71.04969	2.7
71.60391	2.2
79.05476	6.4
81.03412	23.1
81.07041	14.5
83.04978	4.5
83.08612	4.3
85.02899	1.5
85.06527	2.8
87.04449	2.4
90.67651	1.2
91.05460	13.4
93.07028	7.1
95.04957	7.3
95.08587	11.3
97.02885	2.1
97.06525	3.3
97.10178	1.2
99.04412	1.6
99.08054	1.6
103.05486	1.5
104.30624	1.3
105.07007	9.7
107.04935	4.0
107.08578	5.7
109.02893	2.3
109.06496	1.7
109.10116	7.1
111.08052	3.2
115.03925	1.4
115.05484	3.3
116.06236	2.8
117.07014	3.5
119.08582	7.0
121.06466	1.3
121.10133	6.6
123.08041	2.8
123.11706	3.1
128.06218	5.5
129.06990	13.8
131.08554	15.7
133.06496	3.7
133.10138	5.7
135.11699	2.3
137.09569	3.2
141.06955	5.6
142.07780	3.0
143.08548	3.4
144.05696	6.4
145.06491	4.7
145.10143	3.2
146.07318	1.9
147.04404	2.3
147.08066	1.3
147.11664	5.1
149.09528	2.5
156.09340	1.3
157.06462	6.4
157.10103	5.1
158.07216	1.4
159.08034	23.8
159.11684	2.1
161.05991	2.7
161.09540	5.5
161.13280	1.8
163.11142	1.7
165.12692	1.7
167.07050	3.5
169.07637	2.2
170.07271	4.1
171.08046	4.3
171.11647	2.0
172.05183	1.5
173.05946	3.3
174.06674	2.5
175.07542	3.3
175.11232	2.8
177.05405	1.5
177.12636	1.4
178.06308	1.9
185.13193	1.9
187.07541	14.6
189.05450	2.0
189.09053	5.0
189.12704	1.7
193.08714	1.4
193.12262	4.9
197.09589	1.3
198.06670	1.3
199.07520	1.4
203.07127	2.6
203.14240	1.7
204.07735	7.7
207.10132	1.7
211.14857	2.1
212.97247	1.3
213.12796	1.5
219.10083	6.7
221.11588	1.6
231.10205	4.9
231.13802	3.1
231.17509	1.4
237.11197	2.7
247.07442	1.4
249.11195	100.0
249.15181	2.9
249.18474	4.3
250.11604	2.3
267.06543	1.8
267.11942	1.7
267.13104	1.3
267.15900	15.3
267.19238	1.6
267.21051	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15895	1.4
55.01872	1.6
67.05494	3.3
69.03422	2.4
69.07067	2.0
71.58750	2.1
79.05482	3.2
81.03432	2.0
81.07054	4.6
83.04941	1.5
83.08614	1.3
85.06557	1.9
86.71475	1.3
91.05478	7.3
93.07047	3.0
95.04972	2.1
95.08595	3.5
105.03382	2.6
105.07021	6.7
107.04950	3.4
107.08611	3.3
109.06524	1.2
109.10155	1.7
115.05445	2.2
116.06245	3.1
117.07034	3.0
119.08589	2.0
121.06536	1.7
121.10151	2.6
123.11701	1.7
128.06219	4.3
129.06998	13.3
131.04947	2.0
131.08537	16.1
133.06477	2.2
133.10132	2.7
141.06960	4.2
142.07753	2.4
143.08537	3.4
144.05702	5.5
145.06502	5.6
145.10202	2.0
146.07344	1.5
147.04433	2.7
147.08098	1.2
153.01849	6.0
157.06517	6.3
158.07286	2.2
159.08055	21.4
161.06006	2.2
161.09647	5.8
170.07291	3.6
171.08044	4.9
172.05246	1.4
173.06017	2.0
173.41046	1.5
175.07495	2.8
187.07549	14.8
189.05466	1.7
189.09111	5.5
193.08614	1.4
199.07552	1.3
203.07004	2.4
204.07849	8.1
205.08633	1.4
216.07767	2.3
219.10181	6.1
221.11687	2.6
231.10161	4.6
231.13846	2.8
237.11201	2.9
249.11212	100.0
250.11525	2.4
267.10019	1.6
267.15915	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	267.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.0
57.20808	0.9
61.32357	0.9
62.87564	0.9
67.05495	2.2
68.97533	0.9
69.03423	1.4
70.56782	3.3
77.41888	0.9
79.05499	1.7
81.03398	1.9
81.07050	2.8
88.39972	0.9
91.05479	5.6
95.04951	1.8
95.08601	2.4
98.98424	1.2
105.03369	2.7
105.07025	4.1
107.04929	1.9
107.08591	1.4
109.02886	1.6
109.10159	1.7
115.05428	4.5
116.06221	2.4
117.06982	2.4
119.08577	2.8
121.06503	1.5
123.04442	1.1
128.06236	5.5
128.06996	0.9
129.07018	13.7
130.06450	1.1
131.04907	1.3
131.08580	15.1
133.06477	3.0
133.10098	1.6
133.88907	1.1
135.11685	0.9
141.06950	6.0
142.07765	2.0
143.08556	2.0
144.05714	7.5
145.06476	5.0
145.10107	1.6
146.07277	3.1
147.08017	1.1
147.11638	1.0
149.09601	1.2
157.06529	7.7
158.07222	2.0
158.08395	1.5
159.08058	23.5
161.05978	2.1
161.09558	4.7
167.06987	1.2
169.06436	1.4
170.07285	5.4
171.08047	3.4
172.05290	1.9
173.05968	3.6
174.06757	1.7
175.07553	2.9
177.05350	0.9
178.06252	1.7
187.07550	17.3
188.08087	1.1
189.05417	3.0
189.09158	7.8
191.07050	2.0
193.08690	1.3
198.06836	1.4
199.07524	2.1
203.07027	4.2
203.14250	1.0
204.07834	8.5
205.08444	1.0
216.07690	2.1
219.10204	7.4
221.11745	2.7
231.10156	4.9
237.11162	3.9
249.11229	100.0
250.11571	2.3
267.11075	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15895	1.4
55.01872	1.6
67.05494	3.3
69.03422	2.4
69.07067	2.0
71.58750	2.1
79.05482	3.2
81.03432	2.0
81.07054	4.6
83.04941	1.5
83.08614	1.3
85.06557	1.9
86.71475	1.3
91.05478	7.3
93.07047	3.0
95.04972	2.1
95.08595	3.5
105.03382	2.6
105.07021	6.7
107.04950	3.4
107.08611	3.3
109.06524	1.2
109.10155	1.7
115.05445	2.2
116.06245	3.1
117.07034	3.0
119.08589	2.0
121.06536	1.7
121.10151	2.6
123.11701	1.7
128.06219	4.3
129.06998	13.3
131.04947	2.0
131.08537	16.1
133.06477	2.2
133.10132	2.7
141.06960	4.2
142.07753	2.4
143.08537	3.4
144.05702	5.5
145.06502	5.6
145.10202	2.0
146.07344	1.5
147.04433	2.7
147.08098	1.2
153.01849	6.0
157.06517	6.3
158.07286	2.2
159.08055	21.4
161.06006	2.2
161.09647	5.8
170.07291	3.6
171.08044	4.9
172.05246	1.4
173.06017	2.0
173.41046	1.5
175.07495	2.8
187.07549	14.8
189.05466	1.7
189.09111	5.5
193.08614	1.4
199.07552	1.3
203.07004	2.4
204.07849	8.1
205.08633	1.4
216.07767	2.3
219.10181	6.1
221.11687	2.6
231.10161	4.6
231.13846	2.8
237.11201	2.9
249.11212	100.0
250.11525	2.4
267.10019	1.6
267.15915	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	267.1224
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
55.01857	1.2
57.03431	1.3
67.05480	1.4
91.05466	4.7
95.04942	1.1
103.66005	1.2
105.07040	3.4
107.04948	1.4
115.05450	2.9
116.06244	2.3
119.08570	1.3
128.06184	5.2
129.07002	13.0
131.08551	12.8
133.06476	2.6
133.10123	1.3
133.52701	1.0
138.09044	1.0
141.07004	4.7
142.07828	2.5
143.08554	2.1
144.05695	6.5
145.06459	4.2
146.07298	1.7
147.04398	1.3
149.05966	1.1
149.08336	1.1
153.06952	1.4
155.06049	1.4
157.06482	5.2
159.08041	19.2
161.05983	2.7
161.09586	5.6
167.06966	1.4
169.07550	2.4
170.07260	4.4
171.07997	5.8
172.05231	1.8
173.05969	3.1
174.06793	1.5
175.07553	2.2
187.07515	13.8
189.05489	2.3
189.09099	6.1
190.06200	1.9
191.06940	1.4
198.06696	1.1
199.07491	1.6
203.07010	3.0
204.07819	8.5
205.08528	3.0
216.07866	2.0
217.08717	1.2
219.10092	6.8
221.11707	1.2
231.10146	5.5
231.13663	2.1
234.08823	1.5
237.11256	2.3
249.11206	100.0
250.11490	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31113	1.2
53.03949	1.8
53.51741	1.1
55.01863	4.7
55.71052	1.6
56.96321	1.8
56.96561	17.1
57.03430	10.2
57.07064	1.5
58.57132	1.2
59.04996	2.9
61.02920	10.4
67.05483	1.9
69.03077	2.1
69.03423	29.5
69.27693	1.4
70.03734	1.6
71.04987	6.6
71.08628	1.4
72.05305	1.5
73.02918	11.0
74.03253	1.5
78.41304	1.3
81.03413	11.3
81.04539	1.4
81.07068	2.0
83.01367	2.0
83.04972	2.7
84.04494	4.1
84.96005	1.5
85.02899	46.9
85.03429	2.4
86.03220	3.9
87.04456	10.3
90.01552	2.8
91.03928	2.6
91.05473	2.4
92.01303	1.9
93.07030	2.2
95.08592	2.2
97.02882	31.4
98.03220	3.5
98.21506	4.6
98.97588	24.5
99.04427	6.1
101.00813	2.3
103.03905	3.0
103.05439	1.5
104.10747	1.7
105.02064	3.8
109.02869	6.0
110.01253	1.6
110.07140	2.4
111.02041	2.1
112.99138	2.8
114.02557	5.0
116.98608	22.1
119.00133	1.3
119.01862	9.2
120.04455	5.4
120.08101	1.7
120.99541	1.9
121.01656	3.8
123.02116	1.8
123.03054	2.5
123.04436	3.5
125.01711	1.4
126.02599	2.7
127.03911	16.2
128.02316	2.3
128.04097	1.6
128.98613	3.8
130.05049	2.5
131.00177	3.3
131.01839	2.2
133.01617	2.8
133.03360	3.7
134.99660	14.4
135.03081	3.0
136.06178	12.7
138.02321	1.4
138.05475	2.1
138.09142	1.6
139.53421	1.3
140.00246	1.5
140.02310	3.0
141.03101	5.4
143.00134	3.2
145.01758	1.6
145.03513	3.7
145.04971	5.1
146.02350	2.2
146.03592	1.2
146.99654	5.1
147.03093	3.7
149.01164	7.3
149.02892	3.4
150.05556	2.5
152.18848	1.3
153.00645	1.6
153.01894	2.7
153.02982	2.1
155.02809	6.7
156.03589	4.2
156.07626	1.3
157.01767	1.6
158.99597	3.2
159.03220	1.5
160.97565	1.6
161.01213	8.4
161.02852	2.2
161.28281	1.5
162.03615	2.5
163.02724	3.1
164.03334	3.4
165.00754	2.1
167.02287	2.4
167.07045	3.1
168.03575	3.2
170.99599	1.4
171.04138	5.9
172.05193	4.2
173.01329	1.9
173.02925	6.2
173.04724	2.7
176.06113	3.0
176.53534	1.6
176.56149	8.2
177.00694	4.9
177.04132	34.1
177.05853	5.0
177.54340	2.2
178.04901	4.0
178.55133	5.2
179.02286	4.7
179.05670	1.8
184.05063	2.1
185.06497	1.4
185.54073	3.2
185.56731	5.0
186.04689	100.0
186.06308	3.6
186.54831	9.3
188.55040	2.3
188.97057	7.5
189.00743	3.1
189.05975	1.9
191.02187	4.0
191.03871	3.1
191.05675	1.5
193.03690	1.4
193.05399	3.6
195.05280	2.9
197.07478	2.1
197.55478	20.2
198.05772	2.4
200.04410	2.2
201.00673	2.5
202.02689	1.6
203.03929	1.6
205.10899	1.6
206.98180	6.7
209.01515	2.1
209.03282	11.6
211.98695	3.7
219.01653	3.1
220.99721	2.0
221.04910	2.5
221.06828	2.3
227.04395	6.5
229.62083	2.0
237.02872	2.7
244.06564	2.1
249.04077	1.5
250.08264	7.1
250.57149	2.1
251.04341	4.1
251.07993	4.2
258.06790	19.4
258.57202	2.3
267.04443	1.9
267.07227	23.4
267.13342	3.1
267.16107	2.2
267.57489	2.2
269.05630	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33244	0.1
64.72626	0.1
71.58643	0.2
82.99857	0.2
101.00885	1.0
119.01915	8.5
120.01962	0.2
122.97835	0.1
134.99884	0.5
137.02948	3.3
140.98793	0.2
142.03487	0.2
153.00935	0.4
158.99846	0.7
165.99596	0.2
171.30125	0.1
175.03041	0.3
177.00946	17.8
178.01070	0.6
182.99934	0.4
186.08849	0.1
193.04036	0.3
193.05743	0.1
195.02031	0.6
200.02568	0.5
201.00830	1.0
201.02347	0.2
217.04089	2.5
219.01999	24.9
219.94490	0.1
220.02136	1.1
221.02100	0.1
225.00830	1.8
237.03142	0.1
242.03694	0.6
243.01935	6.7
244.02216	0.2
261.03052	100.0
262.03229	2.0
262.33853	0.1
263.03537	0.4
266.03397	0.5
275.04675	0.2
279.03958	0.1
284.04663	4.4
285.04785	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	(-)-Abscisic acid
Peak:m/z	Relative Intensity
53.03933	3.0
55.01854	3.2
55.05491	8.8
57.07051	8.1
57.79140	3.3
59.04988	4.8
62.77830	2.6
65.03916	5.3
67.05482	9.6
68.99791	4.2
69.03419	19.0
69.07055	8.8
69.88414	14.8
79.05502	14.6
81.03418	6.3
81.07047	10.6
83.04969	37.5
85.06533	3.6
87.04438	3.9
88.03978	8.2
91.05466	23.6
93.07030	24.4
95.04967	14.3
95.08593	8.3
97.02863	4.0
97.06490	6.8
98.20740	3.2
98.21304	7.3
102.05538	8.3
105.07037	23.2
107.08584	33.6
109.02867	11.3
109.06516	14.2
109.10156	8.9
111.03777	3.5
111.04452	26.9
111.08085	7.6
111.11674	4.2
113.05973	10.8
115.05432	3.4
117.06998	11.9
119.08559	19.7
121.02818	15.1
121.06497	35.8
121.10136	7.4
121.53603	2.7
122.88696	2.9
123.04369	3.4
123.08035	11.4
125.09641	7.0
129.06950	2.8
131.08553	11.7
133.10104	6.6
135.08046	65.5
135.11633	4.1
137.06021	6.8
137.09621	8.5
143.08560	8.4
144.09338	5.9
145.06447	13.3
145.10095	10.0
147.08044	5.7
148.06056	7.9
149.05971	9.2
149.09607	16.6
151.07518	4.7
151.11232	3.7
153.01775	3.4
153.09077	12.9
155.08549	3.6
157.10158	4.1
158.10915	5.7
159.08020	9.2
159.11679	18.9
160.08824	5.9
161.09560	9.5
163.07527	42.0
163.11182	14.9
165.09082	4.5
168.09335	3.3
171.08011	3.6
171.11623	3.5
172.08817	8.8
173.06027	3.7
173.09615	11.4
173.13266	28.2
177.12677	5.6
181.08504	3.4
183.11630	7.1
186.10381	11.1
187.11185	48.6
189.09081	6.9
191.06995	16.4
201.12758	50.2
203.14421	3.2
205.08554	4.7
205.12212	17.9
209.08096	8.9
211.11214	5.1
215.41850	2.8
219.13783	18.7
229.12209	47.3
241.61339	3.0
247.13260	100.0
265.09833	6.6
265.14319	20.8
276.65869	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.01854	3.2
55.05491	8.8
57.07051	8.1
57.79140	3.3
59.04988	4.8
62.77830	2.6
65.03916	5.3
67.05482	9.6
68.99791	4.2
69.03419	19.0
69.07055	8.8
69.88414	14.8
79.05502	14.6
81.03418	6.3
81.07047	10.6
83.04969	37.5
85.06533	3.6
87.04438	3.9
88.03978	8.2
91.05466	23.6
93.07030	24.4
95.04967	14.3
95.08593	8.3
97.02863	4.0
97.06490	6.8
98.20740	3.2
98.21304	7.3
102.05538	8.3
105.07037	23.2
107.08584	33.6
109.02867	11.3
109.06516	14.2
109.10156	8.9
111.03777	3.5
111.04452	26.9
111.08085	7.6
111.11674	4.2
113.05973	10.8
115.05432	3.4
117.06998	11.9
119.08559	19.7
121.02818	15.1
121.06497	35.8
121.10136	7.4
121.53603	2.7
122.88696	2.9
123.04369	3.4
123.08035	11.4
125.09641	7.0
129.06950	2.8
131.08553	11.7
133.10104	6.6
135.08046	65.5
135.11633	4.1
137.06021	6.8
137.09621	8.5
143.08560	8.4
144.09338	5.9
145.06447	13.3
145.10095	10.0
147.08044	5.7
148.06056	7.9
149.05971	9.2
149.09607	16.6
151.07518	4.7
151.11232	3.7
153.01775	3.4
153.09077	12.9
155.08549	3.6
157.10158	4.1
158.10915	5.7
159.08020	9.2
159.11679	18.9
160.08824	5.9
161.09560	9.5
163.07527	42.0
163.11182	14.9
165.09082	4.5
168.09335	3.3
171.08011	3.6
171.11623	3.5
172.08817	8.8
173.06027	3.7
173.09615	11.4
173.13266	28.2
177.12677	5.6
181.08504	3.4
183.11630	7.1
186.10381	11.1
187.11185	48.6
189.09081	6.9
191.06995	16.4
201.12758	50.2
203.14421	3.2
205.08554	4.7
205.12212	17.9
209.08096	8.9
211.11214	5.1
215.41850	2.8
219.13783	18.7
229.12209	47.3
241.61339	3.0
247.13260	100.0
265.09833	6.6
265.14319	20.8
276.65869	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
55.01857	9.0
55.05500	19.8
61.47643	5.3
65.03931	9.7
67.05495	36.2
68.72566	6.6
69.03419	33.7
70.06556	5.7
71.04984	21.6
71.61401	8.1
72.08141	11.8
79.01811	6.0
79.05480	24.7
81.03418	18.7
81.07040	21.9
83.04980	15.1
83.08643	5.9
85.02921	6.7
85.06557	7.2
86.09678	7.0
91.05465	73.6
91.78829	5.6
93.07034	51.4
95.04961	43.6
95.08593	26.8
97.02869	12.0
97.06544	13.4
99.04462	9.9
103.05439	13.5
105.07028	74.4
107.04974	7.2
107.08584	29.1
109.02893	14.6
109.06536	33.6
109.10153	16.6
111.04435	36.6
111.08064	14.0
113.06001	19.8
114.18886	5.6
115.05460	9.9
116.06204	9.9
117.03436	5.4
117.07020	24.7
119.04982	7.0
119.08575	99.3
120.08047	6.5
121.02876	32.0
121.06489	55.2
121.10141	21.1
122.07161	21.8
123.04398	6.5
123.07983	60.2
128.06224	11.9
129.06985	20.7
131.08542	49.0
133.06471	10.3
133.10107	29.3
135.08037	78.5
137.05951	7.6
137.09644	22.0
139.03889	17.6
139.07555	9.6
141.06978	10.5
143.08557	24.6
144.09367	12.3
145.02863	19.3
145.06493	18.9
145.10106	40.8
147.04401	13.5
147.08025	53.2
147.11656	23.3
149.06010	13.1
149.09621	15.9
151.07539	7.0
153.01802	24.7
153.06946	7.0
155.08551	10.2
156.09410	9.0
157.10121	20.9
158.07237	26.9
159.08081	46.4
159.11667	56.9
161.09608	50.7
161.13184	8.0
163.07585	8.6
165.09148	36.7
167.07022	7.6
167.10663	6.5
168.09378	10.8
169.10153	8.5
171.08044	6.9
171.11681	12.7
172.08882	17.7
173.05917	6.9
173.09659	22.2
173.13232	18.9
175.07568	76.3
175.11082	38.4
177.05463	39.3
177.09004	8.1
181.06598	5.9
183.11714	16.5
186.10378	8.8
187.07469	11.7
187.11139	45.6
189.09122	13.7
189.12712	13.8
191.10658	7.5
193.08659	27.1
193.10150	6.4
196.08809	12.1
199.11168	17.2
200.08969	6.0
201.12704	53.9
203.10649	53.6
205.08553	8.0
205.12270	15.2
211.11240	14.2
217.12277	26.2
219.13809	17.5
229.12154	41.5
232.70744	6.8
235.13350	11.8
247.02374	7.6
247.09625	7.7
247.13153	65.9
248.12822	7.8
265.03375	6.1
265.11130	41.9
265.14600	100.0
265.25049	6.4
266.10202	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	265.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	9.0
56.96564	2.5
57.03431	2.2
57.07057	5.4
59.04989	2.2
67.05499	14.6
69.03431	2.1
69.07057	14.6
69.88553	6.4
69.88966	5.5
71.04995	4.3
71.08601	1.9
72.70435	1.8
79.03736	1.9
79.05488	7.8
81.03402	4.9
81.07053	28.6
83.04972	5.4
83.08602	7.4
85.06532	7.9
91.05473	13.0
93.07049	14.1
95.04950	6.6
95.08598	21.3
97.02887	4.0
97.06529	5.2
97.10151	5.1
98.20804	2.2
98.97568	3.1
103.05466	5.3
104.96223	2.3
105.07046	12.4
105.52492	1.8
107.04940	4.6
107.08566	16.1
109.06499	5.3
109.10173	10.1
111.04485	2.0
111.08083	5.6
111.11741	2.1
112.29654	2.0
115.05436	22.5
116.98605	4.3
117.07001	43.5
119.08584	8.8
121.02838	10.1
121.06474	3.6
121.10163	10.5
123.01444	1.9
123.08079	3.5
123.11674	6.5
128.06212	2.8
129.06975	4.4
131.04851	1.8
131.08527	9.8
133.06465	2.6
133.10118	7.1
134.99579	2.9
135.08070	3.8
135.11679	6.4
137.09589	2.8
139.03981	2.5
141.06978	2.3
143.08542	3.7
145.06480	86.2
145.10123	8.3
147.04355	3.3
147.08054	4.4
147.11662	5.4
149.05875	2.1
149.09622	3.9
149.13232	4.4
151.07512	2.2
155.06032	7.0
156.05704	17.3
157.06512	3.1
157.10143	2.2
159.08044	5.2
159.11725	6.0
160.05150	3.2
161.05983	7.7
161.09570	3.8
163.07442	2.4
163.11200	2.9
163.14882	3.6
165.12778	3.3
167.07051	5.1
169.10132	1.8
171.11638	2.6
173.05978	100.0
173.13264	7.2
174.06401	2.4
175.07510	2.8
183.11665	3.5
185.13271	3.4
187.07578	3.1
187.14771	4.1
189.09128	2.5
190.06223	34.5
191.06944	4.8
191.10716	2.9
191.14224	3.3
194.07220	2.3
195.11646	2.4
199.06532	2.2
201.12790	4.1
202.06241	4.1
203.07050	19.3
205.08583	86.9
207.16035	1.9
209.04414	2.2
217.08580	56.2
218.09474	2.2
219.10094	2.8
219.13782	3.9
229.12187	4.0
229.15855	5.4
233.07671	5.6
235.09653	10.4
235.20761	1.8
245.10139	2.1
247.09563	2.4
247.13359	4.3
247.16849	9.2
247.20505	3.3
247.24162	3.8
265.08493	8.4
265.10858	3.4
265.14523	4.3
265.17953	8.5
265.19757	5.8
265.21841	3.9
265.25107	4.4
280.68463	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05507	16.1
57.03429	2.5
57.07072	12.1
65.03938	3.4
67.05500	79.9
68.96821	1.5
69.07062	19.4
69.53421	6.7
69.53848	6.9
71.04988	2.1
71.08620	7.9
76.02750	1.6
76.73002	1.6
79.05488	23.6
81.07053	100.0
82.24372	1.6
83.04972	2.4
83.08606	10.3
85.06528	4.7
85.10175	3.8
91.05475	18.4
93.07040	24.5
95.04954	4.3
95.08602	82.1
97.06497	9.2
97.10138	7.1
99.08083	4.2
104.57718	1.7
104.99255	7.5
105.07046	14.0
107.08566	17.4
109.06499	3.7
109.10147	44.1
111.08062	5.5
111.11680	2.7
113.09616	3.1
119.08580	14.2
121.10113	16.3
123.08042	3.0
123.11716	18.7
127.11176	3.5
129.07025	2.1
131.08583	2.0
133.10112	15.3
135.11681	11.9
137.09599	3.0
137.13246	9.2
141.12744	2.5
143.08522	2.4
145.10120	2.2
147.11646	12.5
149.13281	8.1
151.14795	7.0
155.14244	2.0
157.10065	2.1
161.13251	11.6
163.14786	6.4
165.16335	11.3
171.11710	1.9
175.14801	8.5
175.96037	2.0
177.16351	3.8
179.14275	1.6
179.17871	3.7
189.16310	2.9
203.17828	3.1
217.19562	3.6
221.13245	1.9
229.39296	1.6
245.22652	40.0
263.14359	3.6
263.20224	4.1
263.23672	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03941	1.1
55.05505	13.8
57.03431	2.1
57.07068	11.7
62.82357	0.8
65.03924	1.6
67.05500	84.6
69.07063	15.2
71.04986	1.6
71.08620	6.2
71.60525	1.1
71.80463	0.7
76.41438	0.6
77.62498	0.8
79.05483	20.4
81.07051	100.0
83.04979	2.3
83.08616	15.6
83.34259	0.7
85.06533	4.6
85.10193	2.9
91.05475	16.6
93.07038	21.8
95.04967	2.4
95.08600	86.2
96.08977	0.9
97.06522	8.6
97.10152	6.9
99.08094	5.5
104.99266	1.4
105.07024	9.8
107.08582	13.7
109.06534	1.0
109.10152	46.6
111.08064	5.5
111.11697	1.5
113.09637	3.2
119.08563	13.5
121.10133	18.2
123.08082	2.0
123.11696	20.5
123.56091	0.8
125.09625	1.5
125.13319	1.0
127.11172	1.6
129.42369	0.7
133.10126	16.1
135.11687	11.0
137.09622	1.7
137.13251	9.2
141.12756	2.8
143.31984	0.7
145.10094	1.3
147.11664	10.3
149.13239	9.3
151.11130	1.8
151.14793	8.8
155.14273	2.0
161.13252	12.4
163.14818	8.7
165.16406	11.2
167.14326	0.9
175.14827	7.8
177.16422	1.9
179.17891	4.6
181.15883	1.0
189.16394	3.9
203.17950	1.1
217.19402	1.8
245.22638	41.4
255.30759	0.9
263.14423	2.6
263.23679	89.6
264.23834	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61293	0.8
55.05491	3.3
56.96560	1.9
57.07074	48.3
67.05483	2.7
69.03402	1.6
69.07059	4.8
70.91239	2.6
71.04994	0.8
71.08629	55.5
73.06532	2.3
79.05486	2.4
81.07055	9.2
83.04984	10.6
83.08597	1.0
85.06528	1.0
89.06027	100.0
91.05464	2.2
93.07025	3.6
95.08595	8.7
97.10143	1.4
98.97576	10.6
100.25236	0.7
104.99266	1.0
105.07009	2.5
107.07069	6.9
107.08576	3.8
109.10126	2.9
111.11666	1.0
113.13239	2.4
116.98598	7.5
119.08556	2.8
121.10132	2.1
123.11742	1.0
130.08630	2.9
133.08594	16.9
133.10136	2.1
134.99626	5.7
135.11665	2.6
139.11035	1.1
140.00150	1.4
145.10120	1.2
147.08073	0.9
147.11693	1.6
149.13167	0.8
151.09647	30.7
153.00761	1.2
157.10172	1.4
157.15900	1.6
158.01314	1.0
158.99667	5.2
159.11655	1.1
161.02994	1.4
177.00696	8.1
182.11441	1.2
189.16364	1.2
191.17957	1.1
194.11462	0.9
200.02361	1.7
203.10686	1.8
219.01755	0.9
245.22655	1.0
254.13554	1.7
263.05615	1.4
263.09540	0.8
263.14078	3.9
263.22208	1.7
263.64349	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1276
Annotation	Trixol
Peak:m/z	Relative Intensity
50.63578	1.1
53.03936	1.4
55.01858	1.9
55.05502	2.0
67.05481	3.1
69.03429	9.5
69.07048	1.0
70.97437	3.4
71.05002	1.6
72.05402	1.1
74.26476	0.9
79.05490	6.5
81.07056	7.0
83.04984	2.2
84.28088	1.1
85.02889	2.4
87.04480	1.3
90.40148	1.0
91.05466	8.5
93.07029	4.6
95.04965	4.3
95.08592	1.8
97.02885	3.4
97.06532	14.7
99.04452	1.6
99.87266	1.0
105.07019	11.0
107.04929	1.8
107.08597	10.4
109.02898	5.0
109.06520	5.5
109.10155	1.3
110.79791	1.3
111.04453	8.9
111.08054	1.7
113.02352	5.7
115.05440	2.3
117.07008	3.9
119.04953	1.4
119.08569	7.9
121.06503	4.4
122.09329	1.0
123.04444	6.7
123.08047	3.1
128.06198	4.7
129.06967	4.9
131.08575	5.8
133.06477	3.6
133.10143	2.0
135.08052	100.0
137.05981	4.6
139.03876	1.7
139.07539	2.5
141.06955	1.9
142.07822	5.9
143.08545	8.0
144.09332	1.7
145.06476	2.9
145.10147	1.7
147.08061	8.3
147.11723	1.3
149.05980	2.4
149.09601	3.3
151.07509	2.1
155.08578	1.6
156.09367	8.6
157.06444	1.1
157.10127	6.6
158.07259	3.4
159.08038	6.8
159.11682	8.6
160.08817	3.0
161.05969	3.0
161.09636	4.9
163.07526	3.5
165.07022	1.4
165.09100	1.8
166.07840	2.8
169.10120	2.3
171.08067	3.7
171.11682	8.2
172.08810	6.5
173.09596	9.6
173.13213	1.2
174.06737	1.4
174.10280	1.3
175.07544	3.7
175.11192	4.8
181.10072	4.4
184.08815	5.5
185.09619	6.0
187.07576	2.2
187.11169	28.7
188.08334	2.4
189.09076	2.1
189.12787	2.1
197.09560	1.2
199.07578	2.6
199.11163	19.1
202.09801	1.9
203.08839	2.4
203.10660	35.4
205.08475	1.1
209.09647	1.3
212.08359	4.5
215.10693	23.9
217.08710	2.2
217.12216	17.6
227.10643	14.0
233.11708	20.4
245.11729	61.1
253.65031	1.2
263.12744	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.2
55.44950	2.0
56.96575	3.1
57.03429	5.6
61.02922	9.0
69.03433	15.8
70.61504	1.6
71.04973	2.7
71.23618	5.4
73.02905	4.1
79.49455	2.1
81.03415	5.6
84.04466	1.8
85.02901	100.0
87.04447	1.9
91.03959	9.6
96.75328	1.8
97.02880	25.3
98.97569	2.8
99.04451	6.3
101.00803	2.0
105.16595	1.8
109.02876	7.8
119.01967	3.3
127.03903	29.0
130.06505	2.1
131.01877	2.2
134.31772	2.2
143.01868	2.6
144.08040	10.4
145.04953	74.8
145.07585	3.1
146.06001	2.7
154.06404	2.2
160.95479	1.9
161.02956	10.4
163.06027	22.1
172.07581	4.0
173.02994	4.4
174.05490	2.3
180.08742	3.8
183.09204	5.1
191.04054	2.7
199.08652	3.7
200.07072	7.7
201.12318	3.0
209.07080	1.8
215.46927	2.3
217.09740	11.4
220.97438	1.9
227.08253	2.2
228.56117	1.9
245.09293	4.7
246.09767	3.1
263.06049	5.0
263.10254	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	263.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06152	0.9
68.91914	1.0
70.11588	5.1
70.42170	0.9
79.64217	1.0
82.99876	1.3
85.02916	1.5
88.34790	1.0
94.37828	1.0
101.00877	13.8
108.33078	1.1
113.00891	3.8
119.01040	1.6
119.01913	36.1
131.01904	22.0
137.02927	5.7
143.01892	36.2
145.03444	1.3
145.23573	1.0
149.02972	3.5
154.03279	1.1
155.01894	13.0
157.03487	1.9
161.02956	100.0
162.03009	1.3
169.02885	1.1
173.02956	36.7
175.04558	1.4
179.04001	3.4
183.05121	1.3
184.04594	3.8
185.02921	5.6
191.04021	22.6
196.04488	1.2
197.02940	1.1
203.03996	20.9
221.05016	4.7
233.05127	2.0
239.06061	1.8
244.06982	1.1
263.06018	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.4
57.23119	0.4
64.04128	0.4
69.88252	0.4
70.26648	1.3
70.27073	1.0
77.00932	0.6
82.99886	1.4
101.00873	11.4
105.00406	0.8
113.00880	1.3
119.01912	30.5
131.01910	11.0
133.03534	0.4
137.02931	5.2
138.01503	0.4
139.02336	0.6
142.03464	0.6
143.01880	30.4
145.03461	1.7
149.02969	2.7
155.01878	5.2
157.03484	2.4
159.01402	0.5
161.02945	100.0
162.03073	0.6
163.04582	0.6
173.02951	18.4
175.04565	0.9
177.30556	0.5
179.03984	3.7
181.55618	0.4
184.04565	3.5
185.02948	2.8
187.04340	0.4
191.03995	11.0
196.02740	0.4
197.02980	0.4
198.98474	0.5
203.03989	25.1
215.03867	0.5
215.86279	0.5
221.05052	5.1
233.05020	0.6
239.05991	1.5
245.04984	0.6
263.06024	24.8
281.07104	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09398	1.1
53.03945	1.3
55.01858	3.0
55.05497	1.6
56.96556	9.5
57.03428	3.3
60.04516	1.3
61.02919	5.4
69.03424	10.3
69.07049	1.6
69.16124	1.1
69.32265	10.9
70.06586	2.5
71.04984	1.3
73.02910	5.0
74.06080	1.3
79.05470	1.7
81.03408	4.9
81.07044	2.4
82.99820	1.2
85.02899	47.0
85.06503	1.2
86.09707	2.3
87.04447	2.1
91.03970	3.8
91.05456	2.6
93.07027	1.5
95.04974	1.2
95.08615	1.4
97.02880	15.5
98.97588	5.4
99.04437	2.0
101.00870	6.9
101.02366	1.2
105.00382	1.6
109.02881	4.8
113.00849	1.3
116.98627	6.0
119.01916	31.7
119.08527	2.0
125.02366	1.6
125.06001	1.5
127.03898	14.7
128.98596	2.4
131.01894	13.7
134.99648	3.8
137.02983	8.3
137.05966	1.3
138.45993	1.1
139.03888	3.6
142.03531	1.1
143.01881	22.5
145.03304	1.3
145.03656	1.3
145.04951	25.8
146.05962	1.5
146.99673	2.4
147.04364	1.1
149.02962	4.5
153.00755	1.6
153.01808	7.4
155.01894	5.8
157.03523	3.0
158.99715	2.2
160.04716	2.0
160.07831	1.6
161.02948	100.0
162.03069	1.2
163.06017	8.9
173.02950	21.8
175.04521	1.6
177.00662	3.0
179.04005	4.0
184.04518	6.6
185.02927	4.7
189.00720	1.2
191.02396	2.0
191.04007	17.1
197.03001	1.8
199.75507	1.3
201.12389	1.3
203.03978	21.5
214.05571	1.3
216.99788	1.8
217.04973	1.1
217.09760	2.5
217.55008	1.5
221.05092	5.0
223.94438	1.1
233.05049	2.1
245.04872	1.8
245.11627	1.9
246.09772	2.1
263.06122	25.9
263.10098	1.4
263.14420	2.2
263.17307	3.2
273.90860	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
61.28746	11.1
70.65327	33.5
85.02923	15.1
119.01899	24.9
143.01912	39.3
161.02936	80.4
173.02948	25.2
191.03986	22.2
203.03973	12.5
207.03534	15.4
250.49260	10.8
263.01620	100.0
263.05884	15.9
266.35315	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	263.0278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10855	1.1
58.71756	1.1
58.99837	1.6
69.73652	7.1
77.00896	4.0
81.03404	1.5
82.70322	1.0
85.02908	1.5
94.97844	0.9
97.02879	1.7
98.20831	1.9
98.97596	1.7
101.00860	8.0
103.85661	1.2
109.02865	2.0
119.01917	35.2
127.02344	1.5
131.01910	4.5
133.03429	2.7
137.02946	5.6
138.96367	2.2
139.02371	2.1
143.01886	13.8
145.03462	6.2
155.01904	2.7
156.97469	44.7
157.03462	17.2
159.01381	2.4
161.02943	37.3
163.04507	1.6
164.06824	1.0
167.01852	2.0
173.02968	7.7
174.98531	66.0
175.04475	5.4
176.96507	2.1
179.04050	1.0
179.99065	4.6
180.97420	1.3
184.86960	1.1
185.02905	7.3
185.97002	3.4
187.04536	1.9
188.47159	2.2
189.97945	1.3
191.03951	5.9
197.02803	1.3
197.47847	3.3
198.00143	3.6
198.98528	25.2
203.03976	12.9
207.94284	1.1
214.96487	2.3
215.03963	2.0
215.96567	1.5
216.94432	8.2
216.96623	10.8
216.99564	65.1
217.44774	1.9
219.45103	1.9
221.05045	11.1
222.00160	3.5
223.02934	1.3
225.95319	4.5
226.45372	2.3
228.45522	5.1
228.95412	1.6
237.45911	4.7
237.96017	1.4
239.06078	10.5
239.98053	6.4
240.01129	5.7
248.96315	1.5
249.46535	1.9
252.02728	1.8
256.97552	2.7
261.03207	1.2
263.06107	100.0
281.07245	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
63.26507	1.4
69.03416	2.5
70.05869	6.5
72.08170	2.2
82.99866	1.7
85.02888	4.2
97.02860	3.1
98.21412	2.1
101.00871	14.2
113.00876	3.5
119.01905	39.0
131.01897	24.7
133.03436	1.8
137.02962	7.7
140.72461	1.5
143.00836	3.2
143.01889	37.5
145.03426	4.3
149.02931	3.8
155.01917	12.2
157.03484	1.8
161.02945	100.0
173.02959	41.7
179.03996	3.5
184.04507	4.7
185.02975	4.0
191.03992	22.7
197.02925	3.1
203.03995	21.4
221.05019	4.3
233.04936	2.2
239.06198	2.4
263.01724	18.2
263.05957	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	261.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.05508	10.0
57.03419	1.1
57.07058	3.2
60.26447	0.8
63.51967	0.8
65.03947	1.2
67.05500	35.6
69.07060	9.9
71.02059	2.8
71.04974	1.4
71.08604	1.2
79.05486	50.7
81.07053	38.1
83.04935	1.3
83.08624	4.9
83.09050	0.9
85.06527	3.5
91.04908	1.3
91.05474	23.8
93.07038	63.3
95.04969	5.3
95.08595	29.1
97.06523	2.9
97.10163	2.9
99.08082	3.0
105.07028	17.2
107.08588	36.8
109.06501	3.8
109.10143	11.3
111.08083	2.8
113.55334	1.0
117.07024	5.8
119.08575	13.2
121.10133	34.5
123.08021	2.4
123.11699	4.2
131.08546	11.1
133.10126	11.5
135.11681	28.2
137.09621	2.3
137.13318	1.1
142.99348	0.9
145.10112	12.7
147.11649	9.8
149.13254	22.8
151.11130	1.6
152.97453	0.9
159.11691	9.8
161.13222	9.6
163.14822	15.6
165.12793	1.6
166.05492	1.0
173.13264	9.1
175.14809	3.9
177.16362	5.4
179.14287	1.0
182.12358	1.0
187.14828	5.6
189.16385	1.5
191.07568	1.1
201.16351	3.1
202.01903	0.9
213.05168	1.0
215.17902	1.1
233.22577	1.6
243.21075	24.9
261.04163	1.5
261.07483	1.2
261.22119	100.0
262.14334	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97716	0.5
53.03938	1.8
55.01862	0.7
55.05258	0.7
55.05504	9.4
55.51392	0.5
57.03435	1.2
57.07066	4.0
57.20001	0.5
58.69410	0.6
63.79188	0.6
64.72135	0.6
65.03931	1.3
67.05499	31.0
69.07069	9.3
70.18238	1.8
70.18646	1.2
71.04985	1.3
71.08617	1.3
77.03903	0.7
79.05487	42.1
81.07049	35.0
81.07453	0.4
83.04971	0.8
83.08612	6.0
85.06551	3.1
91.05474	19.6
93.07037	57.1
95.04961	5.6
95.08601	28.5
95.09090	0.5
95.09226	0.8
97.06528	3.2
97.10141	1.9
99.08066	3.2
103.05430	0.8
105.04514	0.6
105.07019	14.8
107.04960	0.9
107.08587	35.6
109.06492	1.5
109.10152	11.0
110.61066	0.5
111.08078	3.1
113.09644	0.8
116.66557	0.6
117.07021	6.1
119.06017	0.6
119.08566	11.9
121.06501	0.5
121.10138	34.9
123.04433	1.1
123.08032	1.0
123.11690	3.6
129.07011	0.7
131.04948	0.5
131.08546	11.8
133.10120	9.4
135.11674	25.5
137.09593	1.3
137.13184	0.8
143.08435	0.7
145.10121	13.5
146.06062	0.7
147.11670	8.8
149.09682	0.8
149.13243	20.3
151.03889	2.0
151.14780	0.9
153.12733	1.2
158.06038	0.7
159.04364	0.6
159.11671	9.4
161.13255	10.1
163.11136	0.9
163.14810	15.4
165.12708	1.0
169.10118	0.6
173.07095	0.7
173.13255	9.6
175.14816	3.3
177.16371	4.4
179.14268	1.5
187.14825	5.2
193.15945	0.6
201.16344	4.1
205.15910	1.2
206.86188	0.5
215.17897	1.5
219.17545	0.9
233.04602	0.6
233.18973	0.9
233.22649	0.9
243.21063	26.0
261.03909	1.2
261.07498	1.3
261.13223	1.2
261.22116	100.0
262.22464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03932	1.5
55.01860	0.6
55.05265	0.5
55.05507	7.5
57.03424	0.9
57.07068	3.3
59.05000	0.4
60.44218	0.3
65.03924	1.0
67.05499	23.7
69.07060	8.0
69.61295	2.3
71.04980	1.2
71.08621	0.7
77.03919	0.5
79.05487	31.4
81.07051	29.4
83.04956	0.8
83.08614	4.0
85.06527	2.2
85.10151	0.3
91.05474	14.8
93.07037	43.3
95.04964	2.9
95.08600	22.1
97.06521	1.9
97.10148	2.0
99.08087	1.8
99.08658	0.4
105.04523	0.4
105.07018	12.0
107.08585	27.1
109.06507	1.5
109.10146	10.7
111.08060	1.8
111.11726	0.4
113.09630	0.6
117.07016	4.3
119.08569	8.7
121.10136	28.9
123.08038	1.0
123.11699	3.5
125.09595	0.9
127.11138	0.5
131.08557	8.9
133.10118	8.3
135.08162	0.4
135.11682	22.4
137.09596	1.1
137.13257	1.7
139.11188	0.5
145.09033	0.7
145.10112	9.6
147.11673	8.2
149.09610	0.5
149.13249	20.5
151.11180	1.1
151.14824	0.8
153.12721	0.8
159.11682	7.7
161.11955	0.6
161.13248	8.6
163.11220	0.5
163.13406	0.7
163.14807	15.0
165.12717	0.8
173.13239	8.5
175.14856	3.5
177.12764	0.4
177.16377	4.7
179.14282	1.0
181.13469	0.3
187.14816	4.6
187.97995	0.4
189.16356	1.0
201.16345	2.9
205.15810	0.5
215.17914	1.6
217.19453	0.7
219.17490	1.0
233.22549	1.1
243.21072	27.8
261.22119	100.0
262.14505	0.5
262.22467	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.5
53.03947	1.8
55.01866	0.5
55.05506	9.8
56.96571	0.3
57.03431	0.9
57.07071	2.9
65.03938	0.9
67.05501	31.3
69.07062	9.0
69.44767	1.6
69.45201	1.9
69.86749	0.4
71.04990	1.3
71.08621	0.9
74.09695	0.4
77.03916	0.9
77.20443	0.4
79.05489	40.8
81.03407	0.4
81.07051	36.8
83.04963	0.8
83.08607	6.3
84.30420	0.4
85.06549	2.8
85.10146	0.6
91.04891	0.8
91.05476	20.3
93.07038	56.3
95.04971	5.3
95.08604	25.9
95.09236	0.7
97.06529	2.3
97.10159	1.9
99.08089	3.3
103.05478	0.6
105.04536	0.7
105.07021	14.4
107.04931	0.6
107.08589	37.5
109.06505	2.2
109.10149	12.1
111.08092	2.0
111.11712	0.8
113.09646	1.1
117.07018	5.1
119.08575	12.6
121.10138	33.5
123.04530	0.4
123.08076	1.4
123.11700	3.8
125.09621	0.8
127.11187	0.5
129.07001	0.7
131.08549	11.3
133.10120	11.8
135.11687	28.0
137.09612	1.5
137.13281	1.6
139.81380	0.4
145.10118	11.3
147.11678	9.6
147.12784	0.6
149.09685	0.6
149.13246	22.0
151.11185	0.9
151.14790	0.8
153.12775	0.4
157.10182	0.6
159.11688	8.9
159.12975	0.5
161.13255	10.3
163.11127	0.5
163.14812	13.1
165.12784	1.0
171.11726	0.4
173.13261	8.6
175.14783	3.1
176.68495	0.4
177.12680	0.5
177.16391	4.1
179.14316	1.4
187.14844	5.1
189.16235	0.4
191.14285	0.6
192.52757	0.4
201.16348	2.6
203.17935	0.4
205.14131	1.0
205.15883	0.9
215.17975	1.9
219.17523	0.8
233.22681	1.4
234.93629	0.4
243.21069	24.1
261.22125	100.0
262.22626	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03933	1.5
55.01865	0.8
55.05507	10.7
57.03432	1.4
57.07074	3.2
59.04981	0.3
64.69004	0.3
65.03937	1.4
65.37762	0.3
67.05501	34.2
67.45580	0.3
69.07063	10.7
69.41637	3.0
70.05444	0.3
71.04996	2.3
71.08620	1.3
71.85091	0.3
75.42779	0.3
77.03886	0.4
79.05489	45.3
80.05828	0.4
81.07052	39.9
83.04977	0.8
83.08617	6.4
85.06537	2.5
91.05475	23.4
93.07038	63.6
95.04971	4.5
95.08601	28.7
97.06526	2.5
97.10162	2.6
99.08093	2.7
105.04527	1.0
105.06284	0.6
105.07021	15.0
107.08588	40.7
109.06538	1.8
109.10152	12.1
111.08077	2.7
111.11722	0.7
113.09631	0.9
115.05424	0.3
117.07014	5.7
119.06128	0.5
119.08574	13.1
121.10136	37.2
123.08083	1.6
123.11713	4.7
125.09612	0.9
129.07033	0.4
130.07841	0.5
131.08563	12.2
133.10130	10.7
135.08083	0.5
135.11688	28.3
137.09599	1.5
137.13239	1.3
139.11174	0.8
143.08633	0.4
145.10112	11.9
147.11687	10.2
149.09593	0.7
149.13251	21.2
151.11179	0.7
153.12680	0.5
159.11674	9.4
159.13020	0.5
161.13240	10.2
163.11221	0.6
163.14813	16.0
165.12717	0.9
173.13257	9.3
173.14673	0.6
175.14801	4.1
177.12828	0.6
177.16377	5.2
179.14285	1.4
187.14803	6.3
189.16309	0.9
191.14328	0.6
200.15613	0.3
201.04604	0.3
201.16370	2.2
203.17905	0.5
205.15848	1.1
215.17979	1.4
217.19473	0.5
219.17427	0.5
233.22661	1.1
243.21071	26.2
244.21581	0.5
261.22125	100.0
262.22470	0.9
275.94495	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03938	1.2
55.01871	0.8
55.05259	0.7
55.05507	9.3
57.03431	1.1
57.07069	2.7
57.90280	0.3
61.87028	0.3
63.41520	0.3
65.03927	1.6
67.05499	29.1
68.41573	0.4
69.07063	8.2
71.04998	2.0
71.08606	1.0
77.03915	0.6
79.05486	37.1
81.07050	32.7
83.04974	0.7
83.08616	5.6
85.06544	1.7
85.10223	0.4
91.04888	0.7
91.05472	18.6
93.07035	52.2
95.04970	3.4
95.08600	24.4
97.06507	2.7
97.10177	2.0
99.08087	2.9
105.04527	0.5
105.07022	12.9
107.04970	0.4
107.08586	34.0
109.06503	1.5
109.10149	10.9
111.08075	2.2
111.11711	0.6
113.09663	1.0
117.07014	4.3
119.08572	10.5
121.06487	0.4
121.10131	31.4
123.08057	1.1
123.11679	4.0
124.64375	0.3
125.09609	0.9
131.08559	12.2
133.10121	10.6
135.11678	26.1
137.09618	1.3
137.13275	1.2
139.11131	0.8
145.10114	11.3
147.11674	8.6
149.09633	0.4
149.13243	20.3
151.11140	0.7
151.14796	0.7
153.12762	0.9
159.11676	7.8
161.13246	10.1
163.14810	15.3
165.12726	0.7
173.13243	8.8
175.14790	3.6
177.12866	0.4
177.16388	4.5
179.14294	1.3
187.14816	5.2
189.16322	0.7
191.14272	0.6
201.16362	2.7
203.17957	0.4
205.15825	0.5
215.17918	1.6
217.19446	0.6
233.22659	1.4
243.21066	26.9
261.22119	100.0
262.22354	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1848
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
50.73637	2.3
53.86914	2.4
55.05505	17.2
56.96552	6.1
57.07060	6.5
67.05503	13.0
69.07062	6.9
71.04991	3.1
79.05480	8.8
81.07052	39.2
81.82243	2.5
83.04946	3.7
83.74511	2.5
84.27819	2.4
85.06536	9.0
91.05463	20.4
93.07040	26.8
95.03374	2.9
95.04980	7.8
95.08613	21.7
96.05204	2.8
99.04427	7.4
99.08087	5.9
101.06001	6.6
105.07023	54.6
107.08588	25.8
109.06488	5.4
109.10146	10.8
111.04480	2.7
115.86645	2.5
117.07008	6.5
119.08567	55.2
121.10129	35.8
123.04418	4.2
123.11745	4.7
127.47274	3.1
129.03842	3.2
129.06964	3.5
131.08565	8.1
132.24030	2.6
133.10126	17.6
133.55804	2.8
135.08057	5.3
135.11687	8.6
143.08521	5.1
145.04721	3.5
145.10100	28.9
147.07985	3.2
147.11674	47.5
149.06003	2.9
149.09634	3.6
149.13237	4.3
151.03903	6.1
151.11087	3.7
153.02055	4.2
155.08664	2.5
157.10141	5.0
159.11676	25.0
161.13217	13.3
169.03394	4.7
169.10112	6.1
169.62595	2.6
170.03580	5.1
171.03133	37.4
172.03018	4.0
173.13269	8.1
175.03986	2.6
175.11153	3.2
177.12677	4.2
183.11684	4.6
185.13181	4.8
187.11200	4.4
187.14842	4.3
197.13257	3.1
199.14818	6.8
201.12849	4.1
201.16342	15.2
203.12871	6.0
205.12227	3.6
215.14388	4.3
215.17874	6.8
217.15692	3.1
225.16338	14.3
237.11501	4.9
243.17537	17.9
243.20978	4.2
246.11154	10.3
247.12044	7.6
261.03934	5.7
261.07358	6.5
261.11475	36.9
261.18491	93.4
261.21976	6.6
261.26074	3.6
261.28900	3.0
262.14374	100.0
279.17648	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.058
Annotation	Suprofen
Peak:m/z	Relative Intensity
54.28373	0.7
55.60796	0.7
60.35125	0.7
70.06573	1.0
70.95406	2.4
71.04958	0.9
71.25859	0.7
81.04520	2.4
83.04999	0.9
85.02915	1.5
86.09688	2.0
92.29105	0.7
99.04424	2.7
99.05557	1.5
107.04926	1.1
119.01880	1.3
123.04433	0.8
147.73524	0.8
148.02208	1.0
149.08827	0.8
151.03871	1.6
161.02991	0.8
169.01093	1.8
171.02599	1.4
171.14874	0.7
201.03714	2.5
207.79924	0.8
229.00899	1.6
229.03185	30.6
233.59560	0.9
243.04710	4.0
261.05792	100.0
261.09402	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	261.0581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94392	0.6
54.24796	0.6
55.01863	1.1
55.05510	1.1
56.96554	1.8
57.03426	1.1
61.02899	1.0
63.16542	0.6
69.03419	3.6
70.74926	0.6
71.04974	2.6
71.58273	0.8
72.08139	2.8
73.02907	1.0
81.03399	2.9
83.04992	3.3
84.08123	1.3
84.96056	0.8
85.02907	3.8
86.09698	1.5
96.04487	0.7
97.02885	3.2
98.97576	2.7
99.03835	1.1
99.04445	15.6
99.05489	0.6
109.02856	1.8
111.04459	0.6
115.02412	1.2
116.98621	1.6
119.01913	3.5
127.03902	1.4
128.98569	0.9
131.01889	3.3
133.03453	2.6
134.07312	0.6
134.99603	1.5
139.00027	1.2
143.01926	1.3
145.03479	1.8
145.04976	0.7
151.04561	0.7
155.01906	1.6
156.02707	0.7
157.03468	0.9
159.05020	2.1
159.06250	0.6
161.03030	3.0
163.04433	0.7
169.01082	1.3
171.02667	1.8
171.05019	2.1
173.02942	2.3
173.04407	0.7
173.06554	0.9
177.00691	1.3
177.06068	1.2
185.03038	0.9
185.06496	0.7
189.00740	1.2
189.06116	2.1
199.06117	1.1
201.03712	3.3
201.06042	1.5
201.53848	0.6
203.03981	1.4
207.46281	0.7
219.01753	1.5
221.05049	5.2
229.03206	24.3
231.07323	0.6
237.02768	1.8
243.04832	4.1
243.13696	0.6
252.88757	0.6
261.05804	90.1
261.09402	100.0
262.51846	0.6
279.03619	1.0
279.09161	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0305
Annotation	Ifosfamide
Peak:m/z	Relative Intensity
56.96556	0.5
71.59167	0.1
82.99892	0.2
84.96045	0.1
91.29131	0.1
93.07027	0.1
98.97575	1.1
101.00846	0.7
116.90699	0.1
116.98612	1.8
118.98203	0.1
119.01910	6.7
120.02013	0.2
128.98582	0.1
134.99648	1.8
137.02946	3.0
138.51141	0.1
140.98767	0.2
142.03508	0.2
146.99637	0.2
153.00769	0.5
158.01253	0.2
158.99791	0.8
160.04602	0.1
161.01140	0.1
161.02936	0.4
165.99666	0.2
175.02921	0.2
177.00937	13.7
178.01009	0.6
179.00792	0.3
182.99898	0.3
189.00761	0.2
190.01013	0.1
191.03899	0.1
193.04010	0.3
195.01924	0.3
200.02541	0.4
201.00877	0.9
201.02283	0.1
207.01773	0.1
217.04080	2.4
218.03682	0.4
219.01981	20.4
220.02110	1.0
221.01761	1.2
222.01944	0.2
225.00854	2.2
225.03075	0.1
227.99617	0.1
236.99376	0.1
237.02890	0.4
237.98643	0.6
238.98438	0.2
240.51491	0.1
242.03650	0.5
243.01953	6.3
244.01944	0.2
245.03168	0.1
256.01169	0.1
260.04535	0.3
261.03027	100.0
262.03149	4.0
263.03510	0.5
266.03406	0.5
275.04504	0.2
279.00497	1.7
279.03339	0.2
284.04614	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	259.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	0.9
61.02906	0.5
65.03928	0.5
67.04247	2.1
69.03403	1.1
71.59565	0.5
73.01144	0.4
74.00658	6.8
79.01869	0.4
81.03376	0.9
84.08134	1.4
85.02895	1.2
95.04935	0.4
97.02898	1.8
98.97568	1.3
100.02193	87.0
105.52488	0.3
109.02878	1.2
110.03271	0.5
111.04421	0.6
111.05543	0.4
113.05965	0.6
114.05519	0.4
116.98587	0.8
118.03240	4.5
120.01110	0.4
123.04419	0.3
127.03931	0.8
129.10231	0.9
130.10558	0.8
131.00150	0.4
134.99689	0.4
137.05966	0.6
139.03899	0.6
143.03441	0.4
143.08641	0.5
146.02693	100.0
146.99670	0.4
147.03036	0.5
149.02333	1.5
150.51109	0.4
153.01819	3.2
157.07623	0.4
161.05905	0.3
163.03938	0.6
167.07022	0.4
177.00739	0.6
187.07547	1.7
196.04305	0.4
199.14809	0.5
213.06920	27.0
216.04340	0.4
231.02907	2.5
231.06546	1.1
241.04909	0.5
247.04581	0.4
259.07590	36.9
260.07727	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
53.99507	0.3
54.51112	0.3
55.01861	1.0
56.05031	1.0
56.96556	0.5
57.03443	2.5
58.06591	0.6
60.07872	0.6
60.08158	8.8
61.02924	2.4
69.03424	4.8
69.07046	0.6
69.98732	2.0
69.99152	0.8
70.03722	0.4
70.06574	0.5
70.66428	0.4
71.04984	1.3
71.07372	2.4
73.02901	1.9
74.54596	0.4
81.03410	3.5
83.06091	0.6
84.04502	0.9
84.08136	3.4
85.02903	12.0
85.03423	0.6
85.06538	0.7
86.09699	18.2
87.04452	0.5
95.06105	0.9
96.04488	6.1
97.02885	7.9
98.03194	0.7
98.20812	0.7
98.97582	1.7
98.98471	2.4
99.04436	0.9
100.02152	0.4
101.00901	0.6
104.10737	100.0
109.02855	4.0
109.07610	0.9
110.07153	3.7
111.02912	0.4
111.05560	1.5
112.05077	0.9
112.99120	1.0
114.02579	0.4
115.03942	0.5
116.98646	0.6
117.43021	0.4
119.01896	3.1
120.01975	0.5
121.01660	0.5
124.99998	23.1
126.05569	0.7
126.06640	2.6
127.03896	3.0
129.10255	2.9
131.00172	0.6
131.01874	1.3
132.03438	0.5
133.03426	2.3
137.04494	0.5
143.01912	1.0
145.03529	2.0
145.04955	2.1
146.05089	0.4
147.03131	0.4
147.05034	1.9
149.01204	0.7
149.02884	0.4
153.01897	0.4
155.01857	0.8
155.08113	1.1
155.36316	0.4
157.03491	1.0
158.03548	0.5
159.05023	1.1
161.03065	2.1
161.05547	7.3
161.37648	0.4
161.55586	2.0
162.05371	0.7
168.03503	0.6
168.06416	1.0
170.06071	10.6
170.56168	2.7
171.06145	1.3
173.01343	0.5
173.02950	1.8
174.03098	0.6
175.04547	0.5
177.04178	3.4
177.06174	1.2
177.54367	0.4
178.04837	2.5
181.56918	0.8
183.07700	0.6
184.07330	8.8
185.02913	0.7
186.04668	0.6
187.04524	0.4
191.02299	0.7
191.03989	1.3
191.54065	0.5
195.07202	1.0
201.00652	0.6
202.02704	0.5
203.02217	0.9
203.04092	1.0
212.14021	2.9
213.12270	0.5
219.03583	0.6
219.07199	0.9
221.05118	0.7
231.03654	0.9
231.07063	0.6
231.47610	0.4
232.03668	1.4
233.03265	0.8
233.05249	0.8
237.02858	0.4
242.08255	0.5
242.58258	0.5
243.07268	0.4
245.04987	0.7
249.06204	0.8
250.04872	0.6
258.11053	22.7
258.14441	6.1
259.07916	3.8
259.12943	1.3
262.04849	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	17-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05508	17.8
56.01305	1.1
57.07066	5.8
67.05511	2.1
68.49586	1.0
69.06716	1.8
69.07066	23.7
69.26780	2.2
69.27191	10.8
72.08163	1.4
73.52020	1.0
79.05476	1.4
81.07021	1.9
82.99150	1.0
83.08620	11.3
85.06573	1.1
85.10143	1.1
90.09166	1.8
91.05495	2.4
93.07036	2.6
95.08601	3.0
97.10160	10.2
102.83251	1.2
105.05127	1.1
105.07038	5.2
107.08562	2.0
107.80875	1.1
109.10131	2.3
111.11697	2.5
117.07009	2.4
119.08568	3.1
121.06501	25.8
121.10110	2.1
123.11724	3.0
129.07030	1.5
131.08566	5.4
133.06482	2.1
133.10100	2.5
135.08073	5.0
137.13220	2.0
141.06941	1.9
143.08559	2.7
145.06502	5.0
145.10138	6.2
146.07236	3.4
147.08043	39.8
149.09604	4.6
155.08542	3.8
157.10141	1.9
158.07249	11.3
159.08055	29.2
159.11688	1.3
160.08780	2.3
161.09612	76.4
170.45712	1.1
171.08012	1.8
172.08815	3.9
173.09619	100.0
174.10019	1.3
175.11185	19.0
183.11598	1.2
187.09489	2.1
187.11177	38.9
189.12704	1.4
197.13269	1.2
199.11162	2.7
199.14836	2.0
201.12743	25.8
215.14293	6.4
257.18997	87.7
257.26556	2.9
258.27878	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01873	2.2
56.96519	0.5
57.03434	5.9
61.58531	0.4
68.99788	0.4
70.86467	1.1
70.86809	0.8
75.04491	2.7
79.05498	3.4
81.07042	0.6
81.12524	0.5
91.04973	0.4
91.05455	2.5
93.07024	0.5
94.04181	0.9
95.04983	0.9
103.05449	2.2
105.07030	29.8
107.04945	2.9
109.06504	1.1
109.28474	0.4
115.05444	1.1
116.25069	0.4
117.06969	0.5
119.04935	0.7
121.06489	0.9
122.03615	3.0
123.04461	0.7
124.05225	0.7
128.06219	0.4
131.04933	0.7
133.06487	53.0
134.06778	0.7
135.04349	0.7
135.08023	0.8
137.05971	100.0
138.06342	1.0
147.04431	2.8
147.08066	0.7
150.06787	0.7
151.07500	0.6
153.01839	1.1
161.09593	0.5
163.07536	3.8
165.09111	27.2
175.07550	3.4
175.11160	0.6
177.09100	1.0
179.06813	0.5
181.08644	2.7
183.10146	7.5
187.03868	0.6
201.05484	2.0
202.25319	0.4
203.03419	2.9
203.10707	1.7
206.65897	0.4
209.11714	0.9
221.11835	2.8
224.10699	0.5
229.04845	2.5
239.12773	1.3
257.04480	5.9
257.13815	1.9
258.04950	0.8
277.01639	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29385	0.2
55.01873	1.9
60.82999	0.3
65.03917	0.3
67.05494	1.8
68.99779	0.4
69.03416	0.5
70.06616	0.3
71.59676	0.4
79.05482	1.0
81.07045	0.5
83.04961	0.5
84.04498	0.6
84.08138	6.4
87.04489	0.3
89.37359	0.3
91.05476	0.5
93.07048	0.4
95.04962	3.7
97.06517	0.3
101.55611	0.3
103.15518	0.3
105.03374	0.6
105.06958	0.3
107.04906	1.4
107.08608	0.3
109.06500	0.4
109.10170	0.3
111.04432	0.6
120.79628	0.3
122.03655	1.3
123.04426	27.8
125.05987	0.7
131.04918	0.6
133.02850	0.4
135.04399	0.6
135.05417	0.3
137.05974	2.3
139.03923	0.5
140.04675	5.8
151.03850	0.7
153.01848	0.4
153.05463	0.4
155.05089	0.3
155.06946	0.4
165.05464	2.5
168.04169	4.6
171.06517	0.7
182.05670	0.6
183.06520	100.0
184.06842	0.8
193.04977	1.3
197.07928	0.9
225.07542	10.1
229.06195	0.6
229.15509	0.9
243.08640	0.4
257.04617	0.9
257.07837	0.5
257.12750	0.7
257.18619	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0808
Annotation	Pinocembrin chalcone
Peak:m/z	Relative Intensity
53.03939	0.4
55.01873	0.6
55.05502	0.7
57.07074	0.4
58.94689	0.3
67.01862	5.0
67.05498	1.0
68.99783	2.5
69.03429	1.7
69.07054	0.5
70.15431	0.9
70.15829	0.6
71.04975	0.3
79.05486	2.8
81.03393	0.4
81.07048	1.5
83.01323	0.4
83.04988	0.3
83.08621	0.6
85.06530	0.5
91.05479	3.3
93.07037	0.7
95.04966	0.8
95.08615	1.2
97.02912	0.9
98.97570	0.4
103.05460	19.4
105.03385	0.7
105.07012	0.9
107.04942	4.8
107.08595	0.6
108.04243	0.4
109.10168	1.3
111.00801	0.9
116.98623	0.4
117.07008	0.7
119.08521	0.8
123.04418	1.6
123.11717	0.3
125.02404	0.7
127.03969	0.5
129.01828	0.7
131.04922	41.1
132.05205	0.4
133.10092	0.3
134.99687	0.4
136.63853	0.3
143.08533	0.6
145.06494	0.5
145.10101	0.5
147.08098	0.5
147.11647	0.3
151.03896	2.1
153.01820	94.7
154.02164	0.7
155.08546	0.4
156.09526	0.3
157.10178	0.4
159.11737	0.4
169.06355	0.3
169.10133	0.5
171.02878	22.6
171.11760	0.4
173.06007	2.5
179.03421	1.3
191.07033	1.0
199.14783	1.1
211.11191	2.3
215.07053	1.4
229.08481	0.4
236.09720	0.4
239.07059	0.9
239.17905	0.6
243.40607	0.3
257.08072	100.0
257.18735	1.7
257.22678	0.8
258.08478	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0806
Annotation	Pinocembrine
Peak:m/z	Relative Intensity
51.85387	0.2
52.40409	0.2
53.03941	0.2
55.01862	0.3
55.05497	0.6
56.22875	0.2
56.96572	0.3
57.07057	0.2
66.09097	0.2
67.01860	2.2
67.05483	0.9
68.99783	1.2
69.03408	0.9
69.07062	0.9
69.60738	1.6
71.04984	0.4
79.01817	0.3
79.05487	2.8
81.03398	0.3
81.07036	1.2
83.01307	0.4
83.04955	0.4
84.15658	0.2
85.06534	0.5
89.68198	0.2
91.05462	2.9
93.07040	0.7
95.04987	1.1
95.08585	1.5
97.02879	0.6
99.08086	0.3
102.04672	0.3
103.05457	19.2
105.03378	0.3
105.07008	1.3
107.04946	3.3
107.08584	0.7
109.10149	1.0
111.00784	1.0
116.98611	0.2
117.06986	0.7
119.04910	0.3
119.08595	1.0
121.10138	0.6
123.04435	1.4
123.11729	0.4
125.02317	0.3
127.03967	0.2
129.06975	0.5
131.04913	43.5
132.05241	0.4
133.10136	0.9
135.07982	0.3
135.11636	0.3
139.07513	0.4
139.11131	0.2
141.06990	0.5
143.08517	0.8
143.87514	0.2
144.08142	0.2
144.11551	0.2
145.06505	0.9
145.10097	1.0
147.08017	0.8
147.11671	0.6
151.03883	2.1
153.01811	86.9
153.42905	0.2
154.02110	0.4
155.03496	0.2
155.04898	0.3
155.08537	0.5
157.10136	0.8
159.08054	0.4
159.11684	0.5
161.13264	0.3
163.03900	0.3
165.07011	0.4
167.08478	0.2
169.10107	0.3
171.02866	6.2
171.08101	0.2
171.11703	0.3
173.05957	2.5
173.09605	0.6
173.13223	0.4
179.03389	1.0
183.11713	0.4
191.07043	0.8
197.06003	0.3
197.13251	0.7
199.14818	1.1
201.16348	0.3
203.17953	0.4
215.06979	1.5
229.08379	0.2
229.12259	0.3
239.06981	0.7
239.14247	0.4
239.17883	0.5
257.08057	100.0
257.18774	2.4
257.22745	1.2
258.08411	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01877	10.9
56.05029	2.5
56.96552	2.4
57.03439	26.9
57.07077	2.5
58.99850	4.7
59.04989	7.7
59.59587	2.1
61.02923	11.6
69.03427	16.5
69.07078	2.5
69.60356	16.7
71.01343	8.1
71.04990	11.9
73.02904	15.7
75.04478	4.0
77.00898	2.8
79.25750	1.7
81.03403	8.2
82.51470	1.8
83.01341	2.4
83.06083	2.4
84.04501	3.3
85.02423	3.2
85.02905	48.1
86.06086	3.1
87.04460	13.8
89.02357	5.0
91.03968	2.5
95.97794	2.2
96.04478	3.6
97.02887	31.1
97.07634	2.5
99.04453	3.6
100.02500	11.4
101.00901	3.2
101.02357	22.0
103.02411	2.9
109.02840	3.5
110.17207	2.0
111.00777	2.7
113.02349	4.8
114.05538	12.4
115.02438	27.4
115.03916	27.7
117.03983	11.7
118.03508	12.0
119.01910	26.5
120.02010	2.5
121.03415	3.3
123.05551	3.0
124.03955	48.6
127.02393	2.7
127.03902	8.6
127.04984	4.0
127.08729	2.2
129.01833	26.4
130.04942	2.6
131.01901	11.4
133.03459	48.9
133.04446	2.8
133.04962	4.7
134.03601	3.2
135.05032	13.3
137.02953	8.4
138.05461	3.2
140.05536	4.3
143.01875	10.4
143.03406	12.3
143.04367	2.4
145.03448	31.7
145.04929	10.2
147.01231	2.5
147.02933	5.3
147.05049	4.5
149.02795	2.2
150.06538	3.0
155.01944	3.2
155.08134	24.8
156.05022	3.5
157.01343	21.0
157.03467	9.2
158.06602	5.9
159.01459	1.8
159.02962	2.0
159.04965	3.1
160.04681	11.9
160.54817	2.2
161.02945	13.9
161.04433	22.4
161.05550	3.4
163.04538	7.8
168.05054	5.9
169.03532	11.3
169.05237	17.9
169.55339	5.1
170.05995	10.2
171.01367	13.8
171.02875	9.2
171.05005	2.6
173.02992	7.1
175.02515	3.6
175.04390	11.0
177.02415	3.8
180.56113	3.4
184.04562	8.9
185.03001	3.2
187.00867	4.1
187.04494	19.3
189.02393	17.9
189.03938	61.7
192.04968	3.1
194.03027	4.3
196.07144	3.1
203.03844	3.1
203.05510	20.7
207.03435	15.3
210.02521	3.4
210.08846	4.3
212.04024	23.7
213.02443	3.3
215.00336	7.1
216.71098	2.1
221.06602	9.0
228.07167	2.2
230.05147	9.8
233.01395	37.5
238.01962	4.4
251.02469	100.0
252.02692	6.0
256.03021	84.1
256.09091	4.9
256.12830	8.9
256.26385	14.6
257.02991	3.9
261.04694	2.8
274.04077	61.9
274.07089	4.6
275.04333	4.0
279.04623	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	256.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.01864	11.8
55.70756	1.0
56.96294	1.1
56.96553	6.4
57.03437	26.2
59.05008	6.9
61.02924	16.7
62.62003	1.2
69.03079	2.0
69.03428	30.3
70.06583	3.3
70.96271	2.5
70.96597	1.5
71.01352	6.0
71.04993	11.2
72.04500	1.5
73.02914	15.5
75.04475	1.6
77.00867	1.4
81.03416	12.7
83.01334	3.4
83.04994	2.6
83.06110	2.9
85.02903	100.0
85.06532	1.7
86.03250	1.9
87.04461	13.3
87.59142	1.2
89.02382	4.1
91.03957	6.8
95.01284	1.4
96.04524	1.3
97.02888	39.4
98.97578	7.9
99.04447	8.8
100.02468	1.5
101.00880	3.0
101.02379	17.5
102.04217	1.2
103.03931	4.4
108.04220	1.3
108.18073	1.1
109.02859	8.7
109.05006	1.7
110.07084	1.6
110.97526	1.4
111.00826	1.7
111.02901	1.2
112.99161	1.3
113.02374	3.4
114.05490	1.8
115.02464	6.2
115.03924	21.9
116.98651	2.9
117.03958	2.7
117.04731	2.1
117.05469	1.3
118.03513	1.8
119.01903	12.0
119.03403	2.2
121.06499	1.2
123.04594	1.2
124.03956	31.4
127.03914	24.4
127.08717	1.9
128.02280	1.5
129.01831	27.8
129.03963	2.5
131.00174	3.1
131.01903	5.3
131.05544	2.3
133.03453	11.1
133.04991	5.7
134.03574	1.6
134.99658	1.6
135.04979	1.7
137.02879	1.2
139.04106	1.2
140.02292	1.5
141.01787	2.0
143.01897	3.9
143.03395	11.8
145.01633	1.5
145.03467	10.5
145.04951	40.6
146.03413	1.3
146.99608	2.1
147.03027	4.3
147.04965	1.9
149.01236	2.3
149.02864	1.5
149.06642	5.9
150.06642	2.1
151.04477	1.8
153.05775	21.4
153.55893	4.2
155.01930	2.9
155.08138	7.8
157.01344	17.4
157.03444	4.6
158.99643	1.8
159.05054	2.0
160.04800	7.7
160.54932	1.8
161.02946	6.8
161.04442	24.6
161.05447	1.7
161.06601	5.4
162.06348	9.6
162.56398	1.8
163.04463	4.1
163.06023	14.1
165.04073	1.3
166.04761	1.7
168.11331	2.4
169.04347	5.3
169.05392	4.7
170.06024	3.5
170.99747	1.5
171.01469	2.0
171.02870	8.1
171.05034	3.6
173.01384	1.1
173.02960	4.6
173.06450	1.3
173.57103	1.9
174.04459	5.4
175.02402	1.9
175.04547	5.3
177.00615	1.3
177.04024	1.6
178.04935	5.3
179.07629	2.0
183.04959	2.1
184.04686	1.9
185.02971	3.4
185.06644	2.4
187.04509	4.9
189.02510	3.5
189.03938	70.7
191.03824	1.9
192.05090	1.3
193.05467	1.5
199.04532	4.2
203.03728	1.0
203.05524	20.7
207.03369	2.0
207.05084	2.4
210.11194	2.2
211.04471	2.8
212.04250	2.7
215.07672	1.8
219.01759	2.5
221.04782	1.4
221.06682	8.7
223.04620	1.6
224.07719	2.4
229.05542	2.6
233.01392	4.5
233.05136	1.3
237.02730	1.8
239.11357	2.8
240.06487	2.1
245.05057	2.8
247.05721	1.2
251.02454	11.7
256.03168	8.1
256.07611	1.6
256.12100	10.2
256.26398	1.2
257.05096	2.7
257.11182	1.5
259.06699	2.6
271.02991	1.4
274.04132	6.5
274.07620	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2317
Annotation	Actinopolysporin C
Peak:m/z	Relative Intensity
51.67688	4.8
55.01854	7.0
55.05513	60.8
56.96557	6.1
57.03432	7.3
57.07075	74.0
67.05505	42.4
69.07065	100.0
71.04987	7.0
71.08625	45.3
71.60535	6.1
73.23891	4.4
79.05484	29.2
81.07050	57.7
83.04964	9.9
83.08623	71.0
85.06541	5.8
85.10169	18.7
91.05470	7.4
93.07047	46.2
95.04975	6.6
95.08608	58.7
97.06548	28.1
97.10174	45.5
98.98472	45.3
99.08053	5.2
105.06990	11.1
107.08583	33.7
109.10148	27.8
111.08096	13.2
111.11719	12.3
111.41182	4.5
119.08595	10.6
121.10130	38.8
123.11708	15.1
125.09613	15.9
130.36119	4.3
133.10098	6.8
135.11685	44.7
137.13240	8.0
139.11171	19.0
143.08556	5.8
145.10103	9.0
149.13235	32.2
153.12711	15.1
157.10095	10.5
163.14900	21.3
167.14293	11.4
171.11705	7.1
177.16400	8.9
181.15822	6.0
185.13277	5.2
199.14906	5.8
209.11659	11.0
219.21092	52.5
227.17830	4.9
237.11220	6.9
237.22128	36.1
255.06519	15.9
255.17632	6.8
255.21118	28.3
256.29990	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.159
Annotation	Maritolide
Peak:m/z	Relative Intensity
53.03918	2.4
55.01851	4.4
55.05270	1.8
55.05505	25.5
56.96545	1.3
57.03432	44.6
57.07055	4.6
65.03925	2.0
67.05499	66.4
68.99760	3.4
69.03400	4.4
69.07060	27.3
69.56555	1.0
71.01341	5.9
71.04988	9.9
71.08588	2.8
71.60388	2.2
79.05485	56.0
81.03424	8.5
81.03823	1.5
81.07051	37.2
83.04974	19.0
83.08621	9.3
85.02885	4.1
85.06519	8.5
87.04419	1.3
89.56210	1.0
91.05468	21.7
93.07035	79.3
95.04974	9.3
95.08054	1.9
95.08602	21.7
97.06525	22.2
97.09651	1.2
97.10165	17.3
98.97530	2.5
98.98466	12.3
99.04433	2.4
99.08080	5.4
100.98898	1.3
103.05491	1.4
105.07018	11.7
107.04915	3.8
107.08583	47.6
109.06517	5.5
109.10147	15.3
111.04425	1.6
111.08076	7.2
111.11682	2.7
113.06002	1.1
113.09578	1.5
115.05418	2.4
116.98592	1.8
117.07012	8.5
119.08579	15.9
121.06497	9.4
121.09338	1.2
121.10138	20.7
123.08057	2.6
123.11700	5.5
125.09571	4.4
131.08554	5.9
133.06422	3.1
133.10117	9.5
135.04294	1.6
135.07986	4.0
135.11681	100.0
136.11926	1.1
137.05945	3.2
137.08647	1.9
137.09601	24.1
137.13242	2.0
139.03864	1.2
139.07463	1.7
139.11171	1.0
141.06958	2.8
143.08464	1.6
144.05719	1.4
145.06424	1.7
145.10120	16.3
147.04333	1.2
147.08046	2.0
147.11642	2.5
149.05940	1.8
149.09567	1.8
149.13223	6.4
150.06631	1.3
151.07486	4.6
151.11113	2.9
152.08260	1.4
153.01726	2.4
153.12720	5.2
157.06436	2.1
157.10065	3.2
159.08025	5.2
159.11633	4.1
161.05986	1.4
161.13217	3.3
162.06343	1.1
163.11165	14.3
163.14749	1.4
165.09061	2.1
167.07036	2.7
167.08495	2.1
168.67265	1.0
171.08038	1.8
172.37190	1.0
173.13210	1.5
177.05324	1.5
177.09042	2.8
177.12718	19.0
177.16356	3.0
179.06912	1.2
179.10594	1.1
181.08606	8.3
181.12221	18.6
185.05908	3.6
185.09673	1.1
185.13153	1.3
187.07466	4.8
191.14192	1.3
193.04845	1.5
193.08563	8.9
195.07964	1.2
195.10063	2.2
195.11966	1.4
195.13795	24.8
199.13255	2.0
205.08444	1.2
207.10057	1.9
209.08022	1.4
209.09856	1.4
209.11658	3.0
211.09625	7.7
213.05412	2.3
219.10085	2.0
219.13817	2.3
219.17380	3.3
219.21057	1.5
223.13306	1.5
227.06897	2.1
227.14481	1.5
237.05299	1.7
237.11105	3.0
237.14711	4.1
237.18498	5.4
237.21890	1.5
241.14323	2.5
255.06517	18.1
255.10336	2.3
255.13757	3.7
255.15814	61.0
255.20161	2.8
255.21245	2.3
255.23189	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.5
55.01842	3.9
55.05511	33.5
56.96544	3.9
57.03436	42.7
57.07079	11.1
67.05502	79.5
69.03408	4.3
69.07069	37.5
69.33261	10.9
69.33688	12.5
71.01331	4.2
71.04946	10.3
71.08614	4.4
72.87760	2.1
76.06526	2.0
79.05488	74.5
81.03437	10.5
81.07052	49.3
83.04980	25.7
83.08611	12.4
85.06495	7.4
86.49626	2.2
91.04989	2.3
91.05475	28.6
93.07041	89.4
95.04971	13.0
95.08603	27.3
97.06530	24.4
97.10167	17.7
98.82625	2.2
98.98458	17.1
99.04445	2.8
99.08036	6.7
105.07028	11.7
107.04920	4.7
107.08588	51.7
107.18538	2.2
109.06493	3.3
109.10145	17.9
111.08043	3.4
111.11662	4.8
117.06945	8.0
119.08591	14.4
119.27400	2.2
121.06474	5.5
121.10122	20.5
123.08057	2.6
123.11655	5.1
125.09556	8.4
127.03862	3.4
131.08557	5.3
133.10052	6.2
135.11684	100.0
137.09514	6.5
137.64363	2.1
143.08492	4.0
145.10114	15.1
147.07918	3.1
147.11665	3.0
149.13187	4.5
153.12714	5.5
157.10004	2.9
158.39281	2.6
159.08020	4.0
163.11136	14.6
163.14819	2.7
171.08046	13.5
171.11571	3.3
173.09532	2.5
181.12161	17.8
185.09480	2.5
195.08054	2.4
197.13191	2.5
213.16484	2.9
219.20932	3.1
222.10229	4.2
227.14192	3.9
237.12604	3.9
237.18436	3.0
237.22009	5.1
251.81801	2.3
255.06490	14.7
255.10016	3.8
255.13612	12.1
255.15778	76.1
255.20949	5.8
255.23222	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	255.159
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03926	4.5
55.01842	3.9
55.05511	33.5
56.96544	3.9
57.03436	42.7
57.07079	11.1
67.05502	79.5
69.03408	4.3
69.07069	37.5
69.33261	10.9
69.33688	12.5
71.01331	4.2
71.04946	10.3
71.08614	4.4
72.87760	2.1
76.06526	2.0
79.05488	74.5
81.03437	10.5
81.07052	49.3
83.04980	25.7
83.08611	12.4
85.06495	7.4
86.49626	2.2
91.04989	2.3
91.05475	28.6
93.07041	89.4
95.04971	13.0
95.08603	27.3
97.06530	24.4
97.10167	17.7
98.82625	2.2
98.98458	17.1
99.04445	2.8
99.08036	6.7
105.07028	11.7
107.04920	4.7
107.08588	51.7
107.18538	2.2
109.06493	3.3
109.10145	17.9
111.08043	3.4
111.11662	4.8
117.06945	8.0
119.08591	14.4
119.27400	2.2
121.06474	5.5
121.10122	20.5
123.08057	2.6
123.11655	5.1
125.09556	8.4
127.03862	3.4
131.08557	5.3
133.10052	6.2
135.11684	100.0
137.09514	6.5
137.64363	2.1
143.08492	4.0
145.10114	15.1
147.07918	3.1
147.11665	3.0
149.13187	4.5
153.12714	5.5
157.10004	2.9
158.39281	2.6
159.08020	4.0
163.11136	14.6
163.14819	2.7
171.08046	13.5
171.11571	3.3
173.09532	2.5
181.12161	17.8
185.09480	2.5
195.08054	2.4
197.13191	2.5
213.16484	2.9
219.20932	3.1
222.10229	4.2
227.14192	3.9
237.12604	3.9
237.18436	3.0
237.22009	5.1
251.81801	2.3
255.06490	14.7
255.10016	3.8
255.13612	12.1
255.15778	76.1
255.20949	5.8
255.23222	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	255.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37851	0.4
53.03945	0.8
55.01873	0.6
55.05511	1.9
56.96583	0.6
57.07079	1.5
64.58766	0.5
65.03934	0.6
67.05481	2.5
68.99815	1.4
69.03435	1.2
69.07069	3.0
71.05009	0.7
71.08635	0.6
71.14051	1.2
74.52827	0.5
79.05484	6.6
81.07057	5.3
83.04990	0.8
83.08627	1.6
84.84231	0.5
85.02903	0.8
85.06551	1.1
91.05487	1.6
93.03395	1.0
93.07037	2.7
95.04974	2.8
95.08599	4.0
97.06522	1.8
97.10146	0.5
98.97556	0.7
98.98466	4.7
99.08091	0.7
105.07038	1.1
107.04952	14.7
107.08580	3.0
109.06512	2.3
109.10137	2.9
111.04434	0.7
111.08079	1.4
117.07051	0.6
119.08559	1.2
121.02908	0.7
121.06501	1.0
121.10155	2.5
122.03716	0.7
123.04449	1.9
123.08107	1.0
123.11713	1.6
124.05239	1.7
125.05965	3.2
125.09611	0.9
129.07033	0.6
131.04996	0.5
133.10069	1.1
135.03389	1.1
135.04410	21.3
135.08038	2.9
135.11714	1.2
137.02361	1.4
137.05928	3.1
137.09622	0.8
139.03885	0.6
139.07535	5.7
143.08615	0.5
145.03937	0.8
145.10106	1.4
147.11659	0.7
149.02307	0.7
149.05962	0.6
149.09569	0.7
149.13214	0.9
151.03915	3.2
152.04666	6.9
153.01828	0.7
153.05467	9.9
153.12701	0.7
155.08623	0.5
157.06441	0.7
157.10109	1.1
159.11649	0.8
161.13242	0.7
163.03912	6.5
163.11183	0.7
164.04662	2.5
165.05453	0.6
167.07031	32.7
171.11659	0.6
177.05562	1.0
177.12688	0.9
177.16429	0.7
180.04178	1.5
181.04929	7.1
181.08562	1.8
191.10832	0.5
195.06522	94.0
195.13721	2.4
196.06793	1.8
197.13391	0.6
199.05919	1.4
199.14784	0.5
201.16360	0.5
208.03723	0.7
209.15393	0.9
213.05322	0.6
223.05997	100.0
224.06302	1.6
225.09424	0.5
237.14920	1.5
237.18442	1.1
237.22188	0.6
243.87115	0.5
255.06441	6.1
255.08546	0.8
255.13614	0.9
255.17377	1.8
255.21045	1.3
255.23320	1.1
258.80356	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06696	0.5
54.13804	0.5
55.01863	3.4
56.96560	0.9
57.03433	10.7
58.91669	0.5
61.02928	3.2
69.03428	5.3
69.87195	2.4
71.01339	1.6
71.04981	0.7
72.08161	0.6
73.02910	12.0
74.06079	1.4
75.04445	0.6
75.12786	0.5
76.07623	1.0
80.05009	1.8
81.03407	1.8
81.07034	1.2
83.04989	0.9
84.08150	1.0
85.02418	0.9
85.02905	10.2
85.77173	0.4
87.04458	0.9
92.07081	0.5
96.04492	0.5
96.58016	0.5
97.02879	9.3
98.44284	0.5
98.98486	2.3
99.04442	1.6
101.00868	1.0
102.02419	0.8
104.76801	0.5
106.02909	5.0
109.02877	1.9
110.07171	3.3
112.05068	1.1
115.02439	0.5
115.03905	1.9
119.01897	5.0
120.01997	0.6
121.10199	0.6
122.07253	0.6
123.05543	100.0
124.03943	8.3
127.02429	0.7
127.03898	2.7
131.01866	2.5
133.03482	0.6
133.04951	2.7
137.02931	1.1
138.03468	1.0
139.09825	0.6
143.01878	2.7
144.03398	1.0
145.03476	2.1
145.04944	1.2
147.01402	1.0
147.03981	0.6
152.08244	0.5
155.01875	3.6
156.07727	0.7
157.03464	2.3
161.02963	4.0
162.04469	0.7
163.04573	1.2
165.03996	0.9
167.01877	0.8
169.03419	0.9
173.02971	5.4
174.04530	3.2
175.04553	0.9
179.01910	0.7
179.45488	0.5
183.05046	4.2
185.02933	6.0
186.03148	0.7
187.04401	0.7
191.03928	0.8
192.05544	1.4
194.55797	1.1
197.02953	2.9
201.00446	0.6
201.06088	0.5
203.04021	2.6
208.99770	1.0
211.04567	0.5
213.00018	0.8
215.03990	2.1
219.10510	0.9
221.05049	2.0
227.03960	2.5
237.11552	2.8
243.05441	1.0
245.05074	6.6
246.05234	0.8
255.06487	5.4
255.09805	1.8
255.12753	0.8
257.05112	1.1
258.05212	0.7
263.06125	0.9
263.38843	0.5
275.06082	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1797
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
52.79419	2.2
53.03935	3.3
55.05503	13.6
56.96557	7.8
57.03436	3.4
57.07063	7.8
59.04991	4.0
60.26534	2.3
61.02896	2.9
65.03927	2.5
67.05500	40.2
69.03419	11.4
69.07059	21.1
71.04990	27.1
71.08609	6.9
73.02911	5.9
79.05508	13.2
81.03407	2.5
81.07049	39.1
83.04963	3.6
83.08618	9.3
84.96024	2.4
85.02896	4.1
85.06535	9.9
89.06021	2.8
91.05465	13.1
93.07049	26.3
95.04966	37.0
95.08607	29.4
95.88387	2.2
97.02887	9.8
97.06515	7.1
97.10173	5.8
98.97580	10.7
98.98461	100.0
99.08098	9.8
105.07010	19.8
107.08593	33.8
109.02863	2.6
109.06516	5.9
109.10151	70.5
110.97556	3.3
111.08079	6.5
111.11710	2.6
116.98615	7.2
116.99454	4.7
119.08585	26.9
121.06505	3.2
121.10136	33.9
123.08013	4.1
123.11700	9.4
124.38353	2.5
125.05953	2.9
125.09626	15.3
127.11176	4.8
128.98604	4.9
130.72452	2.2
131.08578	9.9
133.10112	12.8
134.99683	3.2
135.08141	2.7
135.11682	16.6
137.09618	4.3
137.13214	2.6
139.07616	2.6
139.11131	2.8
141.05424	3.6
145.10118	13.1
145.11143	2.4
146.99640	5.5
147.11670	32.7
149.09627	4.1
149.13242	7.0
151.11159	5.3
153.12706	13.5
157.10136	5.4
158.99583	3.5
159.11697	6.9
161.01195	4.0
161.13287	3.3
165.12772	6.5
166.07722	2.7
174.07375	2.4
175.07990	3.2
175.11143	3.3
175.14851	8.3
176.98904	2.3
177.00728	5.5
179.10684	2.7
187.08083	4.1
189.16394	17.6
191.17969	6.0
193.12253	4.5
193.15883	7.8
196.08575	30.0
196.58727	4.2
197.09453	2.6
197.11705	5.2
199.14702	3.7
200.19644	2.5
203.09584	2.6
205.01414	2.8
205.09062	42.3
205.59222	7.5
206.09816	4.1
207.17378	3.3
207.59367	8.3
216.59862	5.9
217.15912	20.6
217.19464	4.7
221.10779	3.1
229.11058	5.3
229.14877	3.2
235.13342	3.0
235.16924	34.3
235.20471	2.5
247.12109	3.8
253.10338	45.2
253.12527	5.5
253.17888	16.8
253.21584	3.0
253.60342	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	253.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.7
52.99932	1.1
53.03936	2.1
53.61597	1.1
55.01862	1.9
55.05517	8.5
56.96572	7.2
57.03427	5.2
57.07059	4.6
61.02925	10.1
67.05493	3.4
69.03427	16.9
69.07049	3.5
69.41895	9.4
70.06579	3.3
71.05000	5.3
71.08622	1.2
71.31873	1.3
73.02906	4.2
73.06551	34.3
74.06059	1.6
75.49602	1.0
79.01826	2.6
79.05505	2.0
81.03405	8.3
81.07057	4.8
83.04956	1.2
83.08613	1.7
85.02901	100.0
85.06507	1.2
87.04472	2.7
90.31248	1.4
91.03937	3.9
91.05490	1.5
93.07053	1.8
95.04929	1.9
95.08593	5.0
97.02894	26.2
98.97554	3.9
98.98463	93.7
99.04445	4.5
100.98848	1.5
105.07047	3.3
109.02885	8.9
109.10175	3.2
110.07177	6.6
116.98614	4.3
116.99486	5.4
119.04960	1.3
119.08530	1.6
120.08096	7.7
123.04408	2.2
123.08040	1.2
127.03905	24.6
133.10147	2.0
134.99652	3.7
135.63258	1.3
135.86032	1.1
139.03905	1.4
141.05463	3.2
143.00189	1.6
143.03439	2.8
145.04955	25.9
146.99687	1.6
150.00784	1.7
150.28333	1.1
151.11201	2.3
153.01817	26.9
153.02983	2.3
154.02174	2.0
156.07632	1.8
158.99620	1.3
161.01212	3.3
163.06001	5.8
172.95219	1.8
174.99208	3.3
176.03476	1.2
176.98962	2.5
179.10574	1.7
188.92409	1.8
194.09163	1.7
197.11710	7.8
203.02287	1.7
219.01660	1.4
230.54349	1.4
237.02885	2.2
253.08592	2.4
253.18114	1.8
261.99023	1.3
262.05219	1.9
267.03983	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.123
Annotation	Ac-Tyr-OEt
Peak:m/z	Relative Intensity
55.01847	1.3
60.04519	1.0
67.05497	0.7
69.07040	1.3
71.28934	1.3
74.17188	0.5
79.05478	1.9
81.07058	1.0
82.07993	0.5
87.88069	0.5
91.05473	1.9
95.04967	0.5
98.97508	0.6
98.98463	7.9
100.02185	0.5
102.15699	0.5
103.05454	2.8
104.06242	0.8
105.07025	27.3
107.08571	0.8
109.10163	0.6
114.12294	0.5
115.05441	4.2
118.04165	1.9
131.04883	0.7
132.05653	1.0
132.07996	0.7
133.06483	26.6
138.58101	0.5
143.04974	0.7
143.06035	1.8
149.05962	0.8
160.05348	0.8
160.06271	0.5
160.07582	18.3
161.05969	37.5
162.06419	0.7
162.09065	0.8
163.17015	0.6
167.07030	3.6
174.99239	0.5
176.69238	0.6
178.06229	0.9
178.08617	1.1
188.07063	2.9
191.09399	21.3
192.10005	0.6
193.08600	42.5
205.98730	0.8
206.08121	9.3
208.09668	3.2
210.11230	8.6
219.08896	5.8
220.09702	1.8
222.07622	2.4
236.09160	1.4
237.09927	10.6
252.12315	100.0
252.19629	1.7
253.12682	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.2
55.05483	0.5
55.81696	0.5
56.05005	0.6
57.07068	0.6
60.04522	0.8
67.05488	0.6
71.00351	0.7
71.00673	0.7
79.05479	2.9
81.07047	0.7
91.05464	1.6
93.06989	0.8
95.04954	1.2
95.08607	0.8
98.97540	0.7
98.97727	0.7
98.98461	16.2
103.05454	3.1
105.07022	26.0
109.10118	0.6
115.05453	5.7
116.99457	0.8
118.04128	1.5
123.04358	0.7
123.08032	0.7
131.04993	0.8
132.05737	1.1
132.08075	1.4
133.05458	1.3
133.06476	26.0
135.11661	0.6
143.04985	0.9
143.06046	1.5
149.05928	1.0
160.05421	0.7
160.07564	18.9
161.05965	37.0
167.07022	3.1
174.05582	0.6
178.06169	1.1
178.08604	1.1
188.07051	3.5
191.09393	23.7
192.09785	0.8
193.08589	44.7
205.98717	1.1
206.08109	8.5
208.09659	2.9
210.11215	8.3
219.08908	5.7
220.09579	2.0
222.07613	1.6
223.69281	0.5
234.11983	0.8
236.09097	0.7
237.09933	9.6
246.29532	0.5
252.12291	100.0
252.23227	1.7
253.12625	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02961	0.4
71.59567	0.5
72.15561	0.3
72.44833	0.3
74.14893	0.3
79.05490	0.9
85.02917	0.4
85.06538	0.4
87.00816	2.5
91.05467	1.8
93.07031	1.3
98.98457	5.9
103.05457	6.4
106.06571	0.4
107.04964	0.5
107.08572	0.4
118.06533	9.6
120.08098	100.0
128.04974	1.0
131.04977	0.7
136.06172	0.7
145.06453	0.5
146.06004	19.0
147.06319	0.5
160.07588	0.4
164.07045	0.4
166.08566	1.6
179.03284	0.3
188.07051	15.3
192.06508	1.0
193.08540	0.4
206.08113	71.2
211.07307	0.8
216.06598	0.6
229.00443	0.3
234.07596	1.8
252.08658	1.1
252.12143	0.3
252.19655	0.5
252.23122	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18561	0.3
51.32307	0.3
54.50397	0.3
55.05512	0.5
63.74965	0.4
64.98690	0.4
70.02956	0.6
77.03915	0.5
81.07058	0.4
87.00823	2.0
91.05458	1.3
93.07030	1.1
98.97574	0.3
98.97811	0.5
98.98453	7.1
103.05461	7.2
105.07025	0.5
106.06531	0.3
107.04928	1.0
118.06535	9.2
120.08094	100.0
121.08466	0.6
128.04955	0.9
130.47174	0.4
131.04912	0.5
136.06194	0.7
146.05994	17.9
160.40202	0.4
163.97600	0.4
164.07063	0.5
166.08635	2.4
188.07043	16.7
192.06493	1.5
205.98802	0.6
206.08105	72.7
207.08304	0.6
229.35080	0.5
234.07658	1.8
245.79007	0.4
252.08620	1.5
252.23282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2005
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03931	1.1
55.01854	0.7
55.05507	8.9
56.96534	0.8
57.03428	1.3
57.07060	3.0
59.04993	1.3
65.03935	0.8
67.05498	22.8
69.03421	1.7
69.07061	10.7
71.04993	3.0
71.12164	1.4
71.12484	0.6
73.02895	0.7
73.10664	0.7
79.05484	9.3
81.07050	41.9
83.04969	1.6
83.08611	2.7
85.06532	3.5
87.08067	0.6
91.05466	4.7
93.07037	13.1
93.64433	0.7
95.04971	2.5
95.08599	100.0
96.08924	0.9
97.06532	2.7
97.10161	4.4
98.98458	73.2
99.04441	1.4
99.08054	0.8
105.07027	9.5
107.04943	0.8
107.08585	15.2
109.06509	2.2
109.10146	32.3
111.08057	4.5
111.11732	0.9
113.09639	1.0
115.05454	1.0
116.98746	0.8
116.99452	3.1
117.07017	2.6
119.08568	7.9
121.06546	1.0
121.10135	12.7
122.07457	0.7
123.08047	1.7
123.11695	13.8
125.09628	1.5
127.11209	0.8
131.08569	2.6
133.06477	2.5
133.10135	6.3
135.08034	2.1
135.11681	11.6
137.09610	2.4
137.13222	3.0
140.01082	1.6
141.09041	1.0
145.06490	1.6
145.10098	5.8
147.11665	4.1
149.09598	1.9
149.13255	3.6
151.03880	1.2
151.11194	2.8
152.15794	0.7
153.05453	1.0
155.10751	0.8
157.10141	0.9
159.11679	8.4
160.63370	0.6
161.05962	2.8
161.13307	2.7
163.11189	2.9
163.14839	2.0
165.07042	0.8
165.12753	1.7
173.13226	6.0
174.99222	3.1
175.11234	1.0
175.14821	3.9
177.05470	0.9
177.12788	2.6
177.16399	5.3
181.12297	2.2
187.14838	1.8
189.05507	1.0
191.14336	1.4
191.17897	0.7
192.09998	0.8
193.08546	4.5
193.12198	0.7
195.13809	1.6
205.08612	3.1
205.16023	1.3
205.19566	1.9
205.98711	1.0
215.14360	0.9
215.17937	15.2
221.08099	1.8
223.17006	0.7
229.00304	0.7
230.26303	0.6
233.08038	1.8
233.11714	1.2
233.15500	3.5
233.19000	16.6
251.09103	0.8
251.16464	6.6
251.20107	29.4
252.12204	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1849
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
50.15200	0.7
53.03936	1.3
55.01858	1.8
55.05508	8.9
56.96546	3.5
57.03435	1.8
57.07071	4.2
59.04984	3.4
65.03922	1.5
67.05499	19.9
69.03429	6.4
69.07064	12.8
69.88972	3.6
71.04968	2.2
79.05483	11.1
79.39413	0.8
81.03397	1.7
81.07051	21.8
83.04969	10.7
83.08604	2.8
85.02874	1.1
85.06535	19.0
85.74156	0.9
91.05470	18.6
93.06468	1.3
93.07034	22.5
95.04967	7.9
95.08599	29.5
97.02871	1.6
97.06535	4.2
97.10180	0.9
98.20760	0.9
98.97562	5.2
99.04417	1.1
103.05444	2.6
105.07024	24.4
107.04926	4.5
107.08588	17.3
109.02880	1.7
109.06493	6.5
109.10144	11.4
111.04419	0.9
111.08070	6.3
114.82450	0.7
115.05433	4.9
116.06211	3.2
116.98610	4.7
117.06998	8.2
119.04918	2.6
119.08571	31.2
121.06499	6.7
121.10128	21.1
122.07247	3.3
123.04401	1.5
123.08060	3.9
123.11674	3.2
125.09584	2.8
126.07318	0.7
128.06212	9.2
129.06998	20.7
130.07745	2.6
131.04904	2.6
131.08551	20.4
131.21632	0.7
132.05663	1.3
133.06493	5.1
133.10115	16.1
134.50537	0.7
134.99622	3.0
135.08026	4.6
135.11679	6.0
137.05959	1.7
137.09602	33.8
139.11159	1.0
141.06973	7.8
142.07817	4.8
143.04906	0.8
143.08542	10.8
144.05704	7.7
145.06476	6.5
145.10117	14.1
146.07242	3.0
147.04382	3.6
147.08046	8.2
147.11678	21.9
149.05975	1.3
149.09616	4.4
149.13234	2.8
151.03889	0.9
151.07552	1.4
151.11154	1.7
152.66257	0.7
153.07002	1.5
155.08516	1.7
156.05695	1.2
156.09315	1.2
157.06493	10.0
157.10133	8.2
158.07265	2.7
158.99669	1.1
159.08049	23.9
159.11653	5.9
160.08699	2.2
161.05939	4.7
161.09619	10.0
161.13229	5.1
163.11131	3.9
165.09059	1.5
165.12727	7.5
169.06436	1.4
169.07637	1.0
169.10065	1.2
170.07268	6.4
170.10872	1.1
171.04489	0.8
171.08035	6.4
171.11656	5.5
172.05185	2.7
173.05942	2.5
173.09586	3.7
173.13219	2.5
174.06747	1.6
175.07568	5.2
175.11189	11.6
175.14801	3.5
177.00630	3.9
179.03386	1.8
179.08446	0.9
179.10680	2.1
185.05858	1.0
185.09731	1.0
185.13252	11.7
187.07533	14.0
187.11023	1.4
187.14824	2.8
189.05440	3.3
189.09094	8.9
189.12682	6.8
189.16388	6.0
189.68652	0.8
190.06194	0.9
191.06956	1.3
191.10651	3.0
191.14217	1.2
193.08574	0.9
193.12250	2.4
195.11603	2.2
198.06726	1.6
198.59343	1.3
199.07562	2.0
201.05411	1.9
203.06946	4.7
203.10750	0.9
203.14301	8.9
203.17924	2.3
204.07802	11.3
205.08597	2.2
205.15836	1.9
206.09277	0.9
207.02911	2.7
207.13742	1.2
207.17451	0.9
207.59698	1.2
213.12720	3.4
213.16356	4.7
216.07707	3.7
217.08623	0.9
219.10223	3.0
221.07979	1.3
221.11703	2.3
228.10149	1.1
229.10919	1.2
231.10161	6.1
231.13802	25.5
231.17387	17.1
234.08762	1.6
249.04080	6.2
249.11200	100.0
249.14807	8.8
249.18488	38.8
249.22044	2.4
250.11559	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	249.112
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.16563	0.3
53.51698	0.3
55.01849	0.4
55.05503	0.4
57.03427	0.4
59.42863	0.3
64.42162	0.3
67.05499	0.5
69.03420	0.8
69.72841	0.7
69.73249	2.0
72.10022	0.4
75.63939	0.3
79.05479	0.8
81.07047	1.1
83.04978	0.3
91.05478	5.2
93.07037	0.6
95.04939	0.4
95.08588	0.6
97.02863	0.5
98.21475	0.7
103.05443	1.0
105.07010	2.8
107.04925	1.4
107.08575	0.4
115.05422	3.7
116.06232	2.8
117.07034	2.3
118.07757	0.4
119.04929	0.7
119.08554	1.0
120.51099	0.4
121.06471	0.7
121.10089	0.6
128.06212	6.9
129.06995	16.3
130.07744	1.0
131.04889	1.3
131.08557	16.2
132.05673	1.2
133.06506	2.9
133.10129	1.4
134.93532	0.3
135.08069	0.4
137.05869	0.4
141.06975	8.4
142.07791	3.2
143.04959	0.7
143.08540	3.7
144.05692	7.4
145.06468	5.4
145.10106	1.4
146.03613	0.5
146.07245	2.7
147.04420	1.0
147.08072	0.5
152.06219	0.6
153.07010	1.8
155.04866	0.6
155.06030	0.8
156.05705	1.8
157.06485	8.1
158.07291	2.2
159.08040	25.2
160.05148	1.2
161.05980	2.8
161.09618	5.9
167.05009	0.5
167.06985	0.6
169.06433	1.6
169.07655	1.8
170.07262	6.4
171.04398	0.7
171.08047	6.2
172.05197	3.1
173.05972	3.4
173.09624	0.7
174.06752	1.7
175.07571	2.7
177.05603	0.4
178.06218	0.8
184.05212	0.6
185.05919	0.7
185.13188	1.1
186.06799	0.5
187.07532	15.4
188.08276	1.2
189.05453	2.3
189.09068	7.7
190.06206	1.2
191.07062	1.0
192.07750	0.4
193.08569	0.9
198.06808	1.8
199.07480	2.1
201.05441	1.5
203.07031	4.5
203.10674	0.5
203.14230	0.8
204.07814	10.0
205.08582	1.9
206.09361	0.9
207.02911	0.4
213.12730	0.6
216.07828	2.8
217.08556	1.4
218.09383	1.0
219.10136	1.4
221.08141	1.0
221.11726	2.5
231.10185	5.7
231.13713	3.8
234.08772	0.8
249.03992	1.5
249.11203	100.0
250.11630	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1121
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
50.47943	0.3
55.01857	0.4
57.03419	0.5
59.04966	0.4
63.46869	0.3
67.05488	1.3
69.03419	1.0
71.60071	0.4
74.53685	0.3
74.64430	0.3
77.42271	0.4
79.05486	0.8
81.07042	1.0
90.98992	0.3
91.05476	5.4
92.41180	0.3
93.07033	0.9
95.04926	0.4
95.08598	0.8
97.02889	0.3
99.07265	0.4
103.05444	0.9
105.07032	3.9
107.04971	1.7
107.08553	0.7
111.04445	0.3
115.05432	3.7
116.06235	2.8
117.07043	2.2
119.04932	0.6
119.08572	0.9
121.10066	0.4
123.08068	0.4
128.06221	6.5
129.06999	16.0
130.07771	1.4
130.56123	0.4
131.04924	1.7
131.08568	14.4
132.05736	0.9
133.06514	2.3
133.10115	1.3
135.08029	0.5
139.05446	0.6
141.06989	7.9
142.07797	3.3
143.04913	0.9
143.08565	3.7
144.05696	6.9
145.06485	4.4
145.10107	1.4
146.07274	2.9
147.04402	1.3
147.08038	1.2
152.06197	0.8
153.06999	1.5
155.04886	0.4
155.06056	1.0
156.05676	1.2
157.06482	8.4
157.10115	0.8
158.07277	1.8
159.08055	23.8
159.11626	0.6
160.05179	1.1
160.08875	0.3
161.05980	3.4
161.09602	7.2
167.07063	0.8
169.06450	1.5
169.07646	1.0
170.07257	6.5
171.04376	0.7
171.08029	5.4
172.05240	2.1
173.05980	3.8
173.09634	0.9
174.06746	2.0
175.07510	2.9
177.05495	0.4
178.06224	0.9
179.03433	0.5
185.06013	1.2
185.13235	1.3
186.06728	1.1
187.07535	16.2
188.08252	1.1
188.70854	0.4
189.05511	2.6
189.09117	8.1
189.12711	0.4
190.06192	1.1
191.07025	1.0
192.07835	0.6
193.08589	0.7
195.11620	0.4
198.06754	1.9
199.07506	2.1
201.05469	1.4
203.07019	4.6
203.08737	0.5
203.14348	0.9
204.07820	11.7
205.08565	2.0
206.09392	0.9
207.02940	0.4
213.12706	0.6
216.07802	3.0
217.08624	1.0
218.09346	1.8
219.10150	1.7
221.08064	1.0
221.11618	2.4
229.09038	0.5
231.10172	5.6
231.13766	4.2
231.17357	0.4
234.08887	0.9
249.04253	2.2
249.11218	100.0
250.11711	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.112
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
60.82642	0.4
62.50872	0.5
68.04659	0.4
69.03422	0.7
71.03629	1.1
91.05476	5.1
93.07020	0.8
103.05435	0.7
105.07005	2.5
107.04929	0.8
109.72173	0.5
112.07616	0.6
115.05444	3.3
116.06216	2.0
117.07002	2.0
119.08562	0.7
123.04450	0.8
128.06219	5.9
129.06010	0.8
129.06989	15.4
130.07787	1.0
131.04871	0.8
131.08554	12.8
132.05695	0.6
133.06505	2.7
133.10110	1.6
137.05885	0.4
139.05353	0.5
141.06967	6.4
142.07738	2.6
143.08525	2.0
144.05682	6.6
145.06482	3.6
145.10120	0.7
146.07306	2.4
147.04436	1.1
147.08086	0.8
147.49403	0.5
150.43173	0.5
152.06175	1.1
153.06969	2.1
155.06033	0.6
156.05614	1.2
157.06476	7.0
158.07219	1.4
159.08047	22.8
160.05130	0.8
161.05936	2.8
161.09628	6.6
167.07108	0.7
169.06422	1.4
169.07664	1.4
170.07245	4.7
171.04300	0.5
171.08037	4.4
172.05206	2.7
173.05981	2.6
174.06755	1.4
175.07576	2.1
185.05954	0.6
187.00543	0.5
187.07536	15.3
188.08279	0.8
189.05408	2.7
189.09081	7.4
190.06221	1.0
191.07025	1.1
193.08647	0.6
198.06799	1.6
199.07530	2.2
201.05472	1.4
203.07019	4.5
204.07799	11.3
205.08495	1.5
206.09425	1.2
216.07855	3.1
217.08554	1.2
218.09421	1.1
219.10127	1.4
221.11745	2.2
231.10178	5.9
231.13777	2.0
234.08842	0.8
249.11205	100.0
250.11436	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.112
Annotation	Microhelenin F
Peak:m/z	Relative Intensity
50.00080	0.4
67.05482	0.7
69.03403	0.5
70.17410	1.8
77.03483	0.5
77.16872	0.4
79.05489	0.5
87.78275	0.4
91.05472	5.3
95.04961	0.5
103.05453	0.6
105.07027	2.7
107.04930	1.7
115.05434	3.4
116.06236	2.6
117.07011	2.0
119.04943	0.6
119.08555	0.7
121.06524	0.8
121.10294	0.5
128.06212	6.3
129.06998	16.5
130.07811	0.8
131.04921	1.2
131.08560	14.9
132.05731	0.7
133.06467	2.3
133.10091	1.0
141.06989	6.3
142.07748	3.5
143.08568	3.3
144.05707	6.4
145.06468	4.5
145.10117	0.6
146.07248	2.3
147.04398	0.9
147.08037	0.8
153.06981	1.5
155.06032	1.0
156.05690	1.6
157.06462	8.1
158.07295	1.7
159.04428	0.6
159.08038	22.6
160.05183	1.1
161.06012	2.6
161.09602	6.2
167.07016	1.5
169.06490	1.5
169.07610	1.3
170.07243	6.2
171.04396	0.8
171.08008	4.8
171.09132	0.5
172.05205	2.9
173.06000	3.0
174.06741	2.1
175.07533	2.4
177.05460	0.7
178.06161	0.5
181.06311	0.6
184.05139	0.7
185.05888	0.6
185.13283	0.7
186.06703	0.6
187.07535	15.3
188.08301	1.4
189.05452	2.6
189.09105	7.3
190.06287	1.2
191.06960	0.9
193.08656	0.7
198.06740	1.9
199.07491	2.0
201.05470	1.1
203.07002	4.2
204.07820	11.3
205.08543	1.7
206.09467	0.9
207.02858	0.5
213.12811	0.5
216.07851	3.0
217.08641	1.3
218.09404	1.3
219.10159	1.6
221.08125	0.8
221.11685	2.4
231.10162	4.9
231.13773	1.6
234.08919	0.5
235.34940	0.5
249.11205	100.0
250.11589	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52374	3.8
69.61803	19.4
69.62215	9.7
89.45512	3.1
98.20784	5.5
107.98279	3.7
119.01900	10.6
141.79109	4.6
150.13025	3.8
189.02446	7.6
192.99377	3.8
249.03693	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
58.99846	0.9
69.03427	0.2
70.22149	0.7
70.22572	0.3
70.99841	0.4
73.02919	0.3
77.00890	0.8
82.99780	1.6
84.00623	0.2
85.01428	0.3
85.02911	0.3
86.99310	0.3
88.03934	0.2
89.00903	0.3
95.01940	0.3
95.22653	0.2
97.02865	0.4
98.97536	0.3
101.00866	19.3
103.02419	1.7
105.00345	0.6
107.82378	0.2
113.00865	0.9
115.02437	0.8
116.98625	0.2
119.01909	100.0
120.01975	1.1
121.02367	0.4
121.03458	1.1
124.02455	0.4
127.02433	1.2
129.07088	0.2
131.01894	7.3
133.03439	0.8
137.02942	29.0
138.03017	0.2
139.03426	0.3
142.03485	2.7
143.01877	11.4
145.03453	12.6
147.01402	1.0
149.02945	2.3
155.01854	0.3
157.03455	2.9
159.01370	8.4
160.04514	0.5
161.02942	50.7
162.03053	0.4
163.04498	3.2
165.02408	0.6
168.05077	0.3
171.01370	4.1
173.02948	4.0
173.50798	0.2
175.04529	2.1
177.02435	20.7
178.02609	0.3
179.04005	2.9
183.01364	0.4
184.04514	2.1
185.02896	0.2
189.02431	46.5
190.02623	0.6
191.04025	4.2
195.03470	0.7
200.04054	0.7
201.02432	6.8
203.04004	0.6
203.63495	0.2
206.42772	0.2
207.03485	20.9
212.03986	1.8
214.05603	0.3
219.03476	8.3
221.04970	0.2
224.04068	0.3
225.04550	0.5
230.05145	1.0
231.03481	2.2
231.13831	0.3
237.04488	0.4
249.04541	26.2
250.04607	0.3
267.03027	0.2
267.05664	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	247.169
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
51.02364	0.4
53.03955	0.5
55.01860	0.5
55.05503	4.6
57.03432	4.3
57.07081	0.9
65.03930	0.6
67.05502	4.6
69.03427	1.3
69.06705	0.7
69.07061	6.2
69.96238	2.3
70.55767	0.3
71.04995	0.8
79.05479	5.4
81.07053	15.2
83.04973	2.9
83.08612	1.6
84.27898	0.4
91.05474	12.8
93.07038	9.6
95.04972	1.6
95.08601	15.1
97.06532	1.5
97.10162	0.9
99.08085	0.7
103.05461	0.9
105.07024	15.0
107.04955	1.7
107.08590	17.6
109.06516	10.7
109.10139	4.4
111.08090	2.0
111.11708	1.4
115.05446	4.5
117.07014	7.9
119.04962	0.3
119.06104	0.5
119.08576	13.2
121.06497	27.2
121.10143	5.8
123.08035	1.4
123.11712	0.6
125.05940	0.7
128.06229	0.5
129.06982	0.8
130.07814	0.5
131.08556	8.1
133.06448	1.2
133.10129	4.9
135.04475	3.8
135.08046	100.0
136.08357	1.0
137.05966	4.1
137.09624	1.4
139.07501	1.1
139.11168	5.1
141.06943	1.0
142.07648	0.4
143.08554	2.2
144.05696	0.6
144.09302	0.8
145.06471	1.1
145.10114	14.7
146.07236	1.2
147.08037	7.7
147.11678	6.4
149.09628	2.9
149.13165	0.6
151.07538	4.7
153.09106	0.6
155.08525	1.6
157.10147	2.5
158.07278	3.1
158.10883	0.6
159.08051	8.7
159.11684	13.0
161.09613	21.8
161.13225	2.5
163.07574	0.4
163.11168	3.3
163.14807	0.6
165.09212	0.6
169.10188	2.4
171.08069	0.4
171.11649	0.9
172.08820	1.0
172.12413	0.4
173.09616	18.4
173.13248	15.4
175.11220	3.7
175.14824	2.7
177.09087	0.8
177.12704	1.0
185.09546	0.5
185.13260	1.5
186.10460	0.6
187.11182	6.4
187.12909	0.5
187.13231	0.5
187.14772	5.4
189.12714	3.1
191.10663	2.6
191.12740	0.6
191.14261	3.2
201.12807	1.9
201.16367	13.8
203.14314	2.3
203.17969	0.4
205.12260	0.6
205.15852	0.8
211.14813	3.5
219.13737	1.1
219.17450	2.0
229.12267	0.7
229.15855	26.0
247.06018	0.9
247.16917	43.8
248.17235	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1327
Annotation	Parishin B
Peak:m/z	Relative Intensity
52.97689	1.0
53.03924	4.1
55.05492	3.2
61.33631	1.1
65.03922	4.6
67.05479	5.4
69.03080	1.4
69.03425	18.1
69.07050	1.8
69.74253	8.3
73.75213	1.0
75.42020	1.1
79.05482	7.7
81.07039	9.7
83.04975	18.9
91.05470	18.9
93.03378	5.1
93.07041	12.6
95.04943	5.1
95.08591	1.9
95.80428	1.1
97.02902	7.7
98.97578	1.8
105.07027	16.2
107.04950	2.6
107.08576	12.0
108.13270	1.2
109.02869	17.6
109.06503	13.3
109.10127	2.8
111.04406	5.2
111.05125	1.1
115.05488	2.0
117.07001	9.4
119.04930	1.2
119.08577	17.7
121.02828	4.6
121.06499	20.3
121.10126	9.2
122.07278	1.8
122.55282	1.0
123.04462	1.0
123.08041	2.0
128.06195	3.2
129.06970	5.2
130.06656	1.3
130.07709	1.6
131.08551	16.9
132.05675	1.6
133.06459	1.5
133.10114	12.3
135.04361	1.1
135.08040	25.6
136.93344	1.3
137.05997	6.7
137.09561	4.2
139.03795	1.4
141.06966	2.2
142.07738	2.6
143.08536	10.5
144.09357	10.1
145.06480	9.6
145.10101	12.4
147.08022	4.2
149.05951	2.0
149.09610	22.3
150.10364	3.8
151.11148	4.4
153.06923	1.6
155.08533	3.9
157.10123	3.7
158.07246	2.3
158.10895	13.4
159.08037	11.4
159.11673	29.8
160.08801	3.6
161.09587	6.0
163.03902	1.2
163.07536	18.6
163.11171	3.6
165.09122	2.8
168.09297	4.7
169.10086	3.2
170.10899	5.0
171.08058	7.7
172.08827	13.1
173.05968	2.0
173.09625	27.7
173.13252	43.7
175.07526	1.4
181.06471	1.7
183.11736	9.8
185.09625	2.0
185.13228	3.0
186.10391	22.4
187.07584	3.2
187.11163	100.0
188.11609	2.2
189.09079	2.7
191.05383	2.0
191.07021	24.7
193.10048	2.2
196.08812	4.5
201.12735	68.1
203.14349	1.8
205.12288	7.9
211.11223	11.2
214.09904	3.7
219.13715	5.7
229.04933	1.8
229.12215	71.0
235.05017	1.2
247.06053	12.4
247.13266	72.2
248.13724	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1286
Annotation	H-Glu(Val-OH)-OH
Peak:m/z	Relative Intensity
53.03949	0.5
55.01864	1.1
55.05509	6.8
56.05032	3.5
56.96570	1.9
57.07067	0.7
60.23925	0.5
61.17311	0.5
62.62301	0.5
65.03941	0.6
67.05495	0.6
68.99781	0.8
69.03437	1.3
69.07069	0.6
71.58223	0.5
72.08153	100.0
73.06563	0.7
73.08517	0.5
79.05492	1.0
81.03410	1.4
81.07053	1.3
83.04984	0.7
84.04501	64.7
85.02882	3.0
85.06536	1.0
85.07654	0.8
86.09731	0.7
91.05480	1.3
93.07009	0.9
95.04956	1.3
97.02905	1.4
98.97589	1.2
98.98459	0.6
102.05551	1.9
105.07043	1.1
107.04948	1.1
107.08588	0.8
109.02895	1.1
111.00786	1.0
116.98643	1.2
117.06990	1.1
118.08651	56.4
121.02859	0.9
121.06537	1.1
126.07365	0.6
127.03923	0.8
130.05000	11.2
131.08571	1.5
134.99672	1.1
135.04424	1.1
138.09123	0.9
138.76950	0.7
141.72281	0.6
143.08571	1.6
145.06465	0.9
145.10089	1.1
147.04419	0.7
147.08119	0.7
148.06056	0.8
153.01825	4.9
154.02151	1.0
156.10197	4.6
157.10158	0.8
159.02283	0.7
159.11711	1.6
161.04652	0.7
161.09628	1.2
163.03915	2.3
165.05653	0.8
173.05965	1.0
173.09648	0.9
173.13147	0.8
175.04266	0.6
177.12720	0.6
183.11534	1.6
184.09677	17.6
185.09744	0.8
187.11198	1.5
189.09132	1.4
191.03340	0.7
201.05379	1.3
201.12700	1.4
219.03003	1.0
229.04898	1.5
229.12086	3.9
230.10222	11.5
247.02428	3.4
247.06171	10.9
247.12936	24.9
247.18282	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0598
Annotation	hispidin
Peak:m/z	Relative Intensity
54.17999	0.4
55.01852	1.8
57.07045	0.5
67.05480	0.5
68.99788	6.6
69.03413	1.0
71.04960	0.9
71.60326	0.9
79.05476	1.3
81.03394	0.7
81.07060	1.1
83.83743	0.4
85.02905	0.9
91.05466	1.7
93.07057	0.8
95.04993	0.7
95.08613	0.5
97.02859	0.9
97.06529	0.5
103.05453	0.9
105.07011	1.8
107.04955	2.2
107.08592	0.6
109.02921	0.8
111.00806	5.5
111.04463	0.7
115.05449	1.5
117.07012	1.4
119.04914	0.6
121.02874	0.5
121.06468	0.6
123.04404	0.7
127.03930	0.6
129.05460	0.7
129.06958	0.6
131.04909	1.8
131.08559	1.0
133.06477	1.1
133.10141	1.1
135.04416	3.0
137.02338	3.1
137.05983	0.5
139.03809	0.6
143.08583	0.6
145.02824	1.2
145.06474	2.4
145.10068	0.6
147.04385	0.4
147.11646	0.6
149.02319	0.7
149.05972	1.4
151.07533	0.6
151.11189	0.5
153.01817	0.5
155.04916	3.5
155.06055	0.6
159.04381	0.9
159.08058	0.6
159.11703	0.7
161.05962	1.4
161.09612	0.5
163.03903	7.4
169.12323	0.6
173.05975	3.8
177.05452	1.4
183.04404	3.1
184.05222	0.5
187.03882	1.7
187.07513	0.5
187.11292	0.7
191.07047	1.4
201.05467	11.0
201.12659	0.7
205.04938	0.7
211.13330	0.6
219.06532	1.4
219.14999	1.0
229.04944	15.9
229.12097	0.8
229.14333	0.5
245.04405	0.6
247.06010	100.0
247.14305	2.0
248.06364	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81345	0.8
63.27754	0.7
70.29707	3.0
72.08137	1.2
83.42722	0.8
98.98447	3.4
112.33844	0.8
119.01875	1.3
139.68703	0.8
167.03212	1.0
169.00954	1.0
215.00143	0.9
229.03177	24.1
247.04239	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.5
56.96554	1.4
61.02903	1.0
65.07312	1.0
69.03417	1.9
71.59953	1.8
72.08147	30.2
73.02891	1.4
81.03446	1.2
84.04483	1.9
84.08112	1.0
85.02892	1.3
86.09700	7.0
95.29269	0.9
97.02876	2.5
101.00845	1.7
101.60088	0.9
103.00636	1.4
118.08649	1.3
119.01901	5.8
121.01640	3.8
131.01897	1.4
133.01668	1.3
133.03371	1.2
145.03452	3.5
146.67201	1.1
147.03210	1.8
148.05986	1.3
157.03516	1.9
159.03160	1.5
161.02937	2.1
163.02664	1.7
174.99234	1.3
175.02759	1.4
175.04434	1.7
185.02922	1.1
197.20267	1.1
215.00269	1.9
223.04642	1.3
229.03174	20.8
229.05328	1.5
242.45447	1.1
247.04265	100.0
247.07916	41.5
247.12959	4.2
247.16487	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.19
Annotation	(-)-Falcarinol
Peak:m/z	Relative Intensity
53.03934	2.6
55.05498	7.0
56.81429	1.0
57.07055	1.1
59.04982	1.5
61.48596	1.0
64.20213	1.1
67.05487	3.9
69.07052	4.2
69.96720	5.6
78.02287	1.0
79.05479	2.8
81.07056	5.8
83.08616	4.5
89.59158	1.1
91.05467	14.7
93.07038	100.0
95.04968	7.3
95.08600	8.2
97.10148	4.6
105.04500	1.3
105.07023	6.6
107.08597	12.2
109.06520	1.4
109.10155	2.8
111.08047	1.6
115.03991	1.3
117.07040	1.4
119.08559	6.4
121.10130	6.4
122.86742	1.0
123.08047	3.5
125.09616	5.7
129.07002	1.6
131.08565	7.2
133.10124	7.5
135.11673	4.3
142.03154	2.0
143.08578	3.7
145.10072	7.9
147.08044	2.4
147.11655	5.4
149.09680	1.3
151.11160	2.3
153.12770	1.3
157.10081	3.7
158.10861	1.6
159.11665	3.3
161.09648	2.0
161.13245	4.2
165.12680	1.4
169.10133	2.1
171.11671	6.3
173.13237	11.8
175.14838	3.4
183.11728	1.4
185.13228	7.9
187.11128	1.8
187.14815	6.3
189.11237	4.1
189.12743	2.6
201.16414	1.3
202.13562	1.5
203.14348	11.0
203.18021	1.5
217.15891	3.4
217.19569	1.2
227.17953	21.0
245.04483	2.6
245.11714	1.9
245.13734	2.7
245.19003	58.9
245.22751	2.6
266.60477	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0807
Annotation	2,6-Dihydroxy-4-methoxybenzophenone
Peak:m/z	Relative Intensity
53.88446	1.0
55.05494	2.7
56.96551	2.2
57.07051	1.4
57.81040	1.1
65.03925	4.2
67.05483	3.3
68.99774	3.1
69.03439	1.9
69.07057	3.4
69.51581	8.9
71.01337	2.1
71.04987	1.0
79.05482	1.5
81.03403	1.5
81.07038	3.3
81.07798	1.0
83.04974	3.2
83.08592	1.2
85.02876	1.7
87.04472	1.6
91.05473	76.9
92.05791	2.0
93.03372	3.0
93.07019	3.0
95.04933	4.8
95.08603	3.1
97.02882	1.5
97.06504	1.6
98.20918	3.3
98.21482	1.4
98.97549	1.6
105.06998	4.6
107.04985	2.0
107.08559	2.8
109.10136	3.1
115.03903	2.4
116.98599	1.8
117.07004	1.9
119.04902	1.4
119.08556	4.2
120.05626	1.0
121.02846	14.0
121.10085	2.1
123.04417	14.9
123.11610	1.1
127.03902	1.4
128.06224	1.3
129.06985	1.1
131.08568	1.9
133.06491	7.5
133.10133	2.3
134.99672	1.4
135.08029	1.4
135.11658	2.8
141.06949	1.3
142.03165	1.8
142.07759	1.3
143.08565	3.1
145.06425	2.0
145.10072	2.6
147.08026	1.2
147.11658	1.8
149.02333	1.9
151.03880	24.7
153.06888	1.7
157.06444	1.4
157.10109	2.4
159.08057	1.5
159.11714	1.6
161.05904	3.2
161.09573	1.3
167.03389	100.0
171.08012	2.0
171.11679	1.8
173.09595	1.2
177.00674	1.2
181.06454	2.7
185.05940	1.3
185.13181	2.1
188.84927	1.3
189.09154	1.2
199.07596	2.9
199.11053	1.9
203.06886	1.3
217.12149	1.2
227.07002	40.7
227.10669	2.6
227.14247	2.0
245.04474	8.6
245.08064	24.2
245.11728	5.7
245.15323	6.0
245.18974	4.4
245.22719	1.8
267.85767	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17204	0.4
58.99841	0.6
63.49565	0.5
68.98294	0.5
69.03378	1.5
71.58490	0.6
77.00887	0.6
79.03181	0.4
81.03390	0.8
82.99811	1.0
89.28860	0.4
97.02888	4.1
101.00868	8.7
102.00928	0.4
103.00568	0.6
103.02378	0.5
105.00336	1.7
109.02898	0.6
113.00826	1.1
115.02405	0.7
116.98582	0.5
119.01916	46.9
120.01974	2.7
121.00867	0.5
121.01661	5.5
121.02448	0.8
121.03451	0.6
131.01048	0.7
131.01907	8.4
133.03412	2.0
134.99634	0.4
137.02954	15.5
138.02980	1.3
138.98895	0.6
139.02669	2.9
139.57953	0.5
142.03438	1.5
143.00839	0.9
143.01888	12.5
145.03442	9.8
147.01318	1.9
147.05005	0.9
149.02933	2.1
149.06573	1.0
155.00757	0.7
155.01891	4.4
157.03467	9.4
160.04559	0.7
161.02954	58.7
162.03046	1.3
163.04483	2.2
167.01915	1.1
169.03409	0.7
171.01434	0.6
171.05035	0.8
173.02956	9.2
175.03168	0.7
175.04520	10.2
177.00954	1.8
177.09767	0.8
178.01022	2.2
178.05563	0.7
179.00688	22.6
179.03949	4.0
180.00778	1.0
184.04584	2.9
185.02939	12.0
185.04550	0.8
187.04524	3.6
189.06131	0.5
191.03990	3.4
195.03822	0.7
196.01064	0.8
197.03036	5.6
199.00847	0.8
199.04471	1.6
202.02272	0.6
203.00755	1.3
203.02271	0.8
203.03976	11.5
203.53897	0.5
207.51996	1.1
215.04016	4.6
217.01843	0.9
217.05602	1.0
219.01984	0.8
219.03813	3.2
220.02054	1.8
221.01773	27.6
221.04756	3.4
222.02139	2.7
226.05551	0.9
227.00752	2.0
227.03851	2.4
233.05017	1.2
244.03360	1.0
244.88344	0.5
245.01999	4.9
245.05055	56.8
245.12041	3.2
246.05249	1.1
261.02991	0.6
263.02878	100.0
263.06052	11.1
264.03003	2.9
264.80417	0.5
268.06549	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0652
Annotation	2-Hydroxy-2H-benzo[h]chromene-2-carboxylate
Peak:m/z	Relative Intensity
55.01865	0.5
56.96561	0.4
57.03410	0.5
65.03926	0.5
67.05505	0.6
68.99787	0.9
69.03417	0.8
69.07063	0.6
70.85384	1.0
71.61882	0.4
79.05447	0.5
81.07038	1.2
83.04977	0.7
83.08632	0.5
85.02887	0.5
85.06576	0.3
91.05479	3.5
93.07043	0.9
95.04970	0.4
95.08614	1.0
97.02909	0.4
98.97546	0.6
105.07026	0.7
106.06738	0.3
106.34933	0.4
107.04980	0.4
107.08601	0.6
109.06514	0.4
109.10141	0.5
115.05441	0.8
119.08574	0.9
121.02872	1.3
121.10131	0.8
123.04417	0.4
123.08089	0.8
123.11741	0.4
129.07019	0.8
131.08611	0.5
133.10133	0.4
139.11180	0.4
141.06984	13.3
143.08551	0.5
145.06476	1.2
145.10129	0.4
149.02348	3.9
149.09550	0.4
152.06160	0.9
153.01866	0.8
153.06987	1.2
155.04913	4.8
155.06041	0.5
157.06474	0.8
158.59590	0.4
167.71501	0.4
169.05022	0.6
169.06464	7.2
169.07808	0.7
171.04408	0.4
171.11655	0.4
179.04910	1.5
181.06483	0.6
183.02817	0.6
183.04402	13.2
187.07565	0.6
197.05974	54.9
198.06400	0.8
207.04414	0.7
207.13852	0.6
215.03503	0.6
215.06996	5.1
225.05455	44.0
225.14799	1.0
226.06042	1.4
243.06522	100.0
244.06873	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.3
54.20628	5.1
55.01856	11.4
56.96558	7.7
57.03433	32.4
58.06577	8.5
59.04967	5.6
61.02914	21.1
69.03424	32.9
70.84669	9.5
71.01331	8.5
71.04977	11.1
73.02897	24.5
73.03269	5.0
81.03400	17.5
83.01365	6.4
85.02904	72.9
85.06552	6.5
86.06857	8.8
87.04464	14.6
89.02364	8.2
91.03952	6.5
97.02898	61.4
98.20795	4.7
98.97591	8.4
99.04499	9.0
101.00862	9.1
101.02374	21.8
109.02883	13.4
109.72164	5.6
110.07108	9.9
115.03929	22.3
116.03942	5.5
116.98615	5.5
119.01902	16.8
119.03535	6.3
127.03897	19.0
129.01839	21.9
129.04008	7.6
132.03435	7.2
133.03432	24.6
134.06017	6.5
143.01984	7.0
143.03374	10.2
145.04947	31.6
146.04933	10.4
147.03194	6.0
147.05008	23.0
152.04985	11.8
152.07037	17.1
155.05548	14.9
157.01375	34.5
157.03354	6.6
159.04951	7.7
161.03008	11.1
161.04398	17.7
161.05551	74.1
161.55630	15.3
163.05963	11.0
165.06102	7.2
170.06088	100.0
170.56158	20.3
177.06088	15.4
178.04898	7.0
181.56795	13.2
182.16129	5.6
183.05003	5.6
189.03952	95.2
195.07129	15.3
196.09677	59.9
207.05016	8.0
213.06033	5.9
219.07191	12.9
233.05795	6.1
242.10185	73.4
242.15776	55.6
263.53860	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	241.1586
Annotation	Dehydrofalcarinone
Peak:m/z	Relative Intensity
55.01842	0.3
55.05508	2.5
57.07076	0.4
62.41631	0.3
67.05508	1.5
68.18899	0.3
69.03430	0.4
69.07069	2.9
70.73019	0.9
79.05479	0.5
81.07056	1.5
83.08622	1.5
87.65836	0.3
91.05482	1.2
93.03712	0.4
93.07059	0.4
95.04944	0.3
95.08596	5.2
98.97575	0.4
105.07056	0.5
107.08585	0.7
109.02955	0.3
115.05487	0.3
116.98579	0.4
118.02856	0.3
119.08578	2.6
121.06499	7.7
121.10192	0.5
123.22992	0.3
128.06242	0.5
129.07025	0.7
131.08554	0.6
132.05699	0.3
133.10068	0.9
135.08051	2.4
141.06943	0.6
142.07779	0.5
143.08548	0.5
144.05672	0.3
145.06454	0.9
145.10114	0.3
145.73836	0.3
147.08035	20.6
155.08545	0.5
157.10104	0.6
158.07289	1.3
159.08043	4.7
161.09651	2.9
165.06982	0.3
166.07814	0.4
170.07260	0.9
171.08040	24.3
171.11713	1.1
172.08588	0.5
173.09576	2.6
181.10056	0.5
183.08055	1.4
184.08751	1.8
185.09612	10.0
186.10410	0.9
193.10086	0.4
196.08897	0.3
197.09630	4.0
198.10425	3.5
199.11168	11.7
211.11139	4.3
212.11943	3.8
213.12712	1.5
225.12706	0.8
226.13506	7.1
239.14217	0.4
241.15857	100.0
242.16252	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1586
Annotation	Dehydrofalcarinone
Peak:m/z	Relative Intensity
55.05510	2.7
56.96563	0.3
57.07048	0.4
67.05510	1.6
69.03400	0.4
69.07072	2.4
70.03736	1.5
71.04974	0.3
79.05471	0.7
80.44216	0.3
81.07066	1.9
83.04937	0.3
83.08598	1.6
85.06557	0.4
91.05465	1.4
93.03713	0.4
93.07036	1.3
94.15889	0.3
95.04949	0.2
95.08049	0.4
95.08602	5.9
97.06544	0.3
98.21494	0.4
98.97570	0.9
105.07009	1.0
107.04936	0.5
107.08578	1.0
109.10162	0.7
111.04404	0.3
115.05448	0.4
116.98607	0.8
117.07056	0.3
119.08584	2.1
121.06501	7.5
121.10122	0.8
128.06207	0.5
129.06993	0.7
131.08455	0.5
132.05637	0.5
133.10123	1.3
134.99629	0.6
135.08046	2.5
135.11641	0.3
141.06966	0.5
143.08540	0.6
145.06462	1.3
145.10149	0.6
147.08040	18.7
147.11726	0.3
155.08644	0.3
156.09331	0.3
157.06444	0.5
157.10112	0.9
158.07230	1.1
159.08070	3.8
161.09604	2.7
165.06967	0.5
167.08504	0.6
169.06354	0.3
169.10201	0.4
170.07260	1.1
171.08037	14.2
171.11673	1.0
172.08713	0.5
173.09613	2.1
177.00735	0.5
179.08524	0.4
181.10126	0.7
183.08031	1.6
184.08803	1.7
185.09612	8.8
185.13222	0.6
186.10300	0.4
195.06450	0.4
195.08072	0.3
195.11673	0.6
197.09610	3.6
198.10382	2.9
199.11182	9.7
199.14973	0.3
201.45964	0.3
210.10596	0.3
211.11165	3.8
212.11984	3.4
213.12692	1.2
223.05978	0.3
223.10776	0.2
223.14810	0.3
225.12738	0.5
226.13472	6.0
229.10971	0.4
239.14189	0.3
241.15862	100.0
242.16164	1.2
242.18449	0.3
258.48080	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01865	1.3
55.05491	0.9
56.96545	1.7
57.03435	4.5
57.07071	0.8
57.95237	0.4
58.06595	14.4
60.90357	0.4
61.02923	3.5
64.46709	0.5
67.05479	1.7
69.03423	3.4
69.07063	0.6
70.06590	3.0
71.04973	0.9
72.08125	0.8
73.02917	3.6
76.59192	0.5
80.05012	0.9
81.03407	2.7
81.07052	0.7
82.47449	0.5
83.04964	1.1
84.04496	0.6
84.08134	7.6
85.02426	0.7
85.02901	8.2
85.06538	15.5
86.25434	0.4
87.04453	1.1
93.03695	0.8
97.02895	5.0
98.09665	1.3
98.97588	3.5
99.04440	1.9
100.02560	0.5
103.07558	1.6
109.02901	1.3
110.01259	0.8
110.07151	0.7
111.02898	0.7
111.24381	0.5
112.07593	1.1
114.05548	0.6
115.03853	0.5
116.01247	0.6
116.07047	0.6
116.98609	4.0
119.01904	3.5
119.04938	0.4
123.02859	0.5
123.04395	0.7
124.07578	0.6
126.05481	0.5
127.03899	3.0
128.10719	3.2
128.98579	1.0
131.00200	0.4
131.01892	1.7
132.03456	0.7
133.03435	0.8
134.06007	3.2
134.99611	1.7
135.04800	0.5
139.04170	0.7
143.00133	0.5
143.01854	1.2
143.02805	0.6
144.10179	1.0
145.03433	1.7
145.04953	1.3
146.99657	0.6
147.05006	0.8
149.02934	0.6
150.09096	0.7
152.02357	0.7
152.05077	0.5
152.07059	8.5
153.00737	0.6
153.01836	1.8
155.01778	0.7
156.97488	1.4
157.03439	1.5
157.04659	0.5
158.01221	0.7
158.03581	0.6
158.99625	0.6
159.05032	0.8
160.04727	1.8
160.06413	0.7
161.02924	3.5
161.05519	1.9
168.10176	0.7
169.05252	1.0
169.09703	1.1
170.06052	2.8
171.05052	0.6
171.08113	0.5
173.02928	1.9
174.04451	1.6
174.98538	2.5
175.04449	1.4
175.98524	0.6
177.00693	1.6
178.04933	0.6
183.05022	1.3
185.02934	0.5
187.04565	0.6
189.00673	0.7
189.03993	1.3
191.03885	1.1
195.01611	0.9
195.11436	0.5
196.05843	0.5
196.09665	8.6
197.09195	0.9
198.98497	4.8
199.04298	0.6
200.04451	1.8
200.54819	0.5
201.02473	1.0
201.06200	0.5
203.03967	1.1
205.05374	0.5
215.03984	0.7
216.99590	2.7
217.05521	0.5
217.99756	0.7
219.01691	0.9
219.03539	1.1
221.03069	0.5
221.05103	1.3
221.99927	0.5
223.06277	2.5
223.11226	0.5
237.02800	1.3
239.06171	0.4
241.07346	3.9
241.11578	2.8
241.15453	100.0
242.10152	4.2
242.15723	0.9
245.05083	1.1
253.85376	0.4
259.06674	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1546
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
53.03918	0.2
55.01872	0.3
55.05500	0.7
56.96560	0.9
57.03415	0.5
57.07064	0.3
58.06596	15.0
61.02916	0.2
61.61994	0.2
67.05481	0.7
69.03409	1.0
69.07060	0.7
70.06587	2.7
71.04982	0.4
71.51828	0.5
72.08146	0.4
75.02644	0.4
81.03413	0.8
81.07037	0.5
83.04971	0.4
83.08604	0.6
84.08134	8.1
85.02889	1.0
85.06528	0.7
91.05473	0.3
91.13680	0.2
93.03706	0.8
93.07040	0.4
95.04977	0.3
95.08595	0.4
97.02883	1.0
97.10149	0.3
98.06063	0.4
98.09659	1.1
98.97587	1.8
100.11248	0.3
105.07058	0.3
107.04929	0.4
107.08623	0.3
109.02856	0.2
110.07201	0.3
114.05510	0.4
116.10735	0.2
116.98622	1.3
119.01888	0.5
119.04900	0.5
120.05280	0.3
125.02301	0.3
126.05618	0.3
127.03926	0.5
128.10707	3.9
128.75099	0.3
128.98654	0.3
134.06007	0.8
134.99629	1.5
135.04434	0.4
137.03008	0.2
137.05949	0.3
144.10196	0.9
145.01741	0.4
146.99608	0.3
147.04330	0.4
148.04771	0.3
152.04703	0.2
152.07079	1.7
152.10773	0.3
153.01796	0.9
154.87962	0.2
155.04715	0.4
158.01239	0.3
158.08121	0.3
158.99576	0.3
160.53607	0.3
167.07072	0.5
168.10194	0.8
169.04369	0.7
175.00931	0.2
175.02554	0.3
177.00639	1.1
177.11159	0.3
189.00737	0.2
195.06499	0.3
195.12131	0.6
196.09651	5.1
213.15987	0.5
217.55568	0.7
219.01639	0.4
223.05983	0.4
237.02786	0.5
241.15451	100.0
242.06851	0.2
242.07977	0.2
242.10088	1.2
242.15790	1.0
253.16576	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
55.01866	3.9
55.05504	7.1
56.96546	1.0
57.03421	1.7
57.07059	1.7
65.03938	0.8
65.14139	0.6
67.05502	10.5
69.03433	0.6
69.07069	6.6
71.04983	2.6
71.60770	1.1
73.02906	0.9
75.02654	0.6
75.27820	0.6
79.05056	1.0
79.05485	13.5
81.03397	1.8
81.07051	12.4
81.86041	0.6
83.04956	2.2
83.08617	7.0
85.06543	1.1
91.05466	4.3
93.03695	2.3
93.07039	21.4
93.07624	1.3
95.04955	4.6
95.08598	25.2
97.02882	2.8
97.06507	3.1
97.10133	1.5
98.97547	0.7
99.04463	3.0
99.50983	0.6
101.85901	0.6
105.07002	5.6
107.04924	5.7
107.08587	17.0
109.06491	1.5
109.10126	2.4
111.04427	1.8
111.08041	1.1
112.98362	0.5
116.05275	0.7
117.07011	4.5
118.55235	0.8
119.08583	6.6
121.06528	3.7
121.10131	8.6
123.11799	0.8
125.05971	2.4
127.07552	1.0
129.07004	2.5
130.07790	1.1
131.08531	2.1
131.71581	0.8
133.10097	1.9
134.99661	1.6
135.08037	1.8
135.11676	28.4
139.07529	1.3
142.07692	0.7
143.08545	2.5
145.10112	18.6
147.11646	0.8
148.41600	0.6
157.10149	3.0
159.11690	1.2
163.11169	42.0
171.11687	2.5
181.12219	11.3
185.13275	1.8
190.62277	0.7
191.10622	1.4
199.14648	1.2
206.74193	0.6
209.11711	1.9
223.16814	1.1
227.12764	100.0
228.13150	1.0
241.08673	0.8
241.12170	1.5
241.15898	2.0
241.19572	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	241.0706
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
51.02045	0.4
52.08926	0.5
53.03942	1.2
55.01858	0.5
55.05490	0.9
57.03437	0.4
65.03934	1.3
66.04716	0.4
67.05505	1.3
68.76869	0.3
68.99805	1.6
69.03429	1.7
69.07066	0.8
69.80851	1.1
69.81270	1.1
71.04975	0.5
79.05496	6.2
81.07056	2.2
83.04990	0.5
85.02919	0.6
87.37400	0.4
91.05477	1.8
92.02637	0.4
93.03775	0.5
93.07016	0.8
95.04960	2.9
95.08600	0.8
96.05733	0.4
96.10411	0.3
97.02879	0.6
97.06536	0.8
98.97591	0.7
99.04472	0.6
103.05494	0.6
105.03415	0.8
105.07013	0.5
107.04955	15.9
107.08609	0.7
108.05760	0.5
109.02859	0.8
109.06499	2.0
109.10149	0.7
110.89604	0.4
111.04435	0.7
111.08089	1.3
116.98615	0.8
119.08583	1.6
120.02074	0.6
121.02841	0.7
121.06484	0.8
121.10133	1.0
122.03648	0.4
123.04443	2.3
123.08027	0.5
124.05187	1.9
125.05978	2.9
131.04890	0.5
134.03616	0.8
135.04414	23.9
135.11700	0.4
137.02332	1.6
137.05989	2.5
139.03944	0.5
139.07541	6.6
139.11180	0.4
145.03929	0.6
145.10164	0.5
149.02362	0.8
149.06018	0.7
150.03070	0.5
151.03877	3.2
152.04662	8.1
153.05457	8.7
154.40193	0.4
155.01852	0.3
163.03909	5.1
164.04738	2.8
165.05467	0.5
167.07045	33.5
177.00774	0.6
180.04166	1.5
181.04961	9.2
195.06529	100.0
196.06915	1.3
199.05972	1.2
220.08479	0.7
222.07770	0.3
223.06010	82.7
224.06491	0.9
241.04831	0.6
241.06956	0.9
241.14357	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0117
Annotation	Unknow
Peak:m/z	Relative Intensity
61.61636	0.8
70.39340	2.9
83.26244	1.1
84.78681	0.9
109.88973	0.9
119.01936	1.8
133.64594	1.0
138.96426	2.6
140.85579	1.1
156.97466	51.4
174.98526	72.2
175.98476	1.3
176.67871	1.1
179.99057	4.3
180.97433	2.5
185.97026	1.1
198.00093	8.8
198.98531	34.4
216.01079	4.8
216.99579	100.0
217.99727	2.0
222.00162	3.8
231.66713	0.9
239.97804	1.1
240.01212	7.8
246.29965	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2003
Annotation	12-hydroxyfarnesol
Peak:m/z	Relative Intensity
54.09306	1.0
55.05503	15.3
56.71019	1.2
57.03408	1.4
57.07083	8.9
63.49210	1.2
66.44536	1.2
67.05499	24.9
69.03400	1.1
69.06721	1.3
69.07067	16.7
71.04966	3.2
71.08598	2.6
71.34811	2.2
77.91629	1.0
79.05473	5.7
81.07053	54.1
83.04969	1.4
83.08616	18.6
85.06510	1.2
85.10163	2.7
88.22460	1.2
89.05999	3.2
91.05460	4.7
93.07031	8.3
95.08602	100.0
97.06528	1.9
97.10167	5.9
98.97528	1.6
99.08089	1.6
105.07029	6.8
105.75014	1.1
107.08586	11.0
109.06506	1.7
109.10149	99.8
111.07990	1.3
111.11713	1.6
111.98016	1.1
119.08575	25.6
121.10146	12.9
123.08084	5.4
123.11708	56.2
125.06110	1.3
125.09593	5.5
127.07527	1.3
133.10127	13.3
135.11685	15.4
137.05945	1.3
137.09598	3.3
137.13239	40.3
147.11694	8.7
149.13235	4.8
151.11217	2.0
151.14850	1.7
161.09624	1.5
161.13197	3.3
163.14783	3.7
165.12756	2.0
165.16389	3.0
169.10222	1.8
177.16283	1.3
179.10683	1.3
179.17944	70.9
183.11548	1.5
189.16374	51.9
193.12181	1.9
193.15807	1.4
203.17889	1.7
207.09528	1.4
207.17427	80.4
208.17798	1.7
221.15398	3.0
221.18938	2.4
225.18427	1.8
239.08920	8.7
239.14244	2.1
239.16345	4.5
239.18117	3.1
239.20039	58.2
240.20207	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	239.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	9.8
53.80573	2.1
54.30749	1.9
55.01860	2.1
55.05511	26.6
57.03431	3.5
57.07061	8.4
59.66408	1.7
60.53617	1.9
61.42979	1.8
65.03922	2.9
67.05504	56.4
67.70400	1.9
69.07058	14.5
71.04982	7.8
73.06540	3.1
79.05488	79.1
80.94887	2.0
81.03439	4.4
81.07053	47.5
83.04977	28.3
83.08628	9.2
85.02892	2.9
85.06520	7.5
89.06017	8.8
91.05477	60.9
93.07042	100.0
95.04967	21.1
95.08605	30.7
97.06519	5.8
97.10130	5.5
105.07023	41.0
107.04946	4.0
107.08579	18.3
109.06493	5.8
109.10146	8.7
111.08092	2.8
117.07006	8.0
119.08569	26.2
121.06527	4.9
121.10149	6.2
123.08047	10.0
123.11720	3.7
127.07521	2.6
128.06241	4.8
129.07002	23.2
131.08591	3.6
133.08575	2.9
133.10095	11.3
134.72733	2.1
135.11687	3.2
137.06024	3.3
141.07007	3.4
143.08563	13.7
143.09485	2.9
145.10176	14.4
147.08009	3.0
147.11679	63.9
155.08588	2.2
161.09625	6.8
161.13284	16.0
163.11118	2.2
169.10112	5.4
171.10252	2.7
171.11681	42.3
179.08563	3.6
189.12695	20.6
193.12173	2.0
197.09625	3.2
197.13342	2.5
204.51939	2.1
207.13812	21.1
210.92160	2.1
221.11725	2.3
239.08858	16.3
239.14351	4.6
239.18224	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	237.0868
Annotation	N-Formyl-D-kynurenine
Peak:m/z	Relative Intensity
55.01860	0.9
55.05503	1.4
56.96564	1.5
57.07063	2.4
60.59674	0.6
61.34764	0.5
67.05482	1.1
69.03421	0.8
69.07053	2.7
69.33323	3.6
69.33752	2.6
70.06585	0.7
71.04990	0.7
71.08628	1.0
74.02442	3.4
75.03232	0.7
79.05494	2.0
80.05004	0.7
81.07046	3.3
83.04973	2.5
83.08615	1.1
85.02905	0.9
91.05468	2.4
93.07024	2.7
94.06552	3.8
95.04953	1.8
95.08601	3.0
95.54877	0.6
97.02913	0.7
97.06537	1.4
97.10149	1.0
98.97592	0.8
99.00807	1.2
99.08046	0.6
103.05470	0.8
104.04988	0.9
105.07018	1.4
107.04964	0.7
107.08577	2.9
109.06477	0.7
109.10134	1.6
110.06036	2.3
111.04446	0.8
116.98639	1.1
118.06539	8.1
119.04961	1.2
119.06001	0.7
119.08568	0.7
120.04477	2.0
120.08051	1.1
121.01360	0.6
121.10133	1.5
122.06032	0.6
123.08085	0.6
123.11678	0.9
125.09607	1.3
127.03909	0.7
128.04971	4.0
130.06523	8.5
131.07362	0.8
131.08514	1.4
132.04454	2.5
133.05199	1.2
134.99580	1.0
135.08069	1.1
135.11697	1.5
136.07571	7.0
137.05937	0.8
139.11183	0.9
143.03363	0.7
145.07686	0.7
146.06006	100.0
147.06371	1.2
147.11668	0.7
148.03909	9.0
149.13298	0.9
150.05486	1.9
151.11118	1.0
153.01823	4.5
153.54123	0.6
156.04366	0.8
157.07626	7.7
158.06012	0.8
159.11644	0.9
163.03912	0.9
163.07466	0.7
164.07043	2.6
172.95140	1.2
173.07106	2.4
174.05505	10.7
176.07008	0.7
178.04987	1.8
190.96237	1.0
191.03391	1.3
191.08171	13.4
191.10677	0.9
192.06534	5.7
202.04994	2.6
203.08142	5.8
219.07794	0.8
219.10020	0.9
219.13835	0.6
219.21080	0.8
220.06096	5.3
220.08240	1.2
232.97581	0.6
237.03923	0.8
237.08847	10.5
237.12575	1.8
237.14902	2.1
237.18375	1.7
237.22122	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	235.1691
Annotation	1(10),4-Cadinadien-14-oic acid
Peak:m/z	Relative Intensity
53.03950	1.5
55.01870	1.9
55.05511	11.8
57.07072	16.1
59.04971	4.1
60.13473	1.4
64.11819	1.7
67.05176	1.7
67.05505	19.1
69.03419	2.9
69.07069	11.0
70.37135	6.8
71.04993	30.3
72.31125	1.6
73.06554	4.0
76.92659	1.7
79.05492	13.8
81.07052	31.9
83.04959	5.0
83.08598	4.7
85.06528	2.8
89.06020	6.0
91.05470	15.4
93.07034	35.8
95.04962	13.2
95.08605	26.7
97.06515	5.5
97.10191	2.7
98.97546	1.7
101.51593	1.9
105.07024	40.8
107.08593	62.6
109.06505	9.6
109.10148	34.1
111.08073	16.7
115.05468	2.1
117.07024	4.5
119.08575	40.3
121.06489	3.3
121.10145	25.0
123.04452	1.9
123.08055	5.7
123.11661	3.4
125.05963	2.2
125.09621	28.8
127.07542	1.7
127.11181	3.2
128.06204	3.0
129.07057	1.9
131.08572	13.3
133.10126	27.3
135.08034	5.8
135.11685	24.4
137.09592	3.1
139.03870	2.1
139.07527	3.4
143.08543	4.1
145.06329	2.1
145.10115	19.7
147.08040	9.5
147.11688	71.9
149.09573	7.5
149.13205	3.1
153.09135	1.8
153.12721	11.5
157.10136	5.8
159.11665	10.3
161.05914	2.6
161.09628	5.3
161.13237	5.9
163.11232	2.9
165.09052	3.0
165.12778	8.9
171.11653	2.3
173.13271	6.9
175.03882	1.8
175.07544	2.2
175.11168	11.0
175.14824	11.4
177.12788	2.2
179.10628	13.2
189.12807	1.9
189.16376	39.6
189.18088	2.0
191.18001	2.1
193.12245	3.5
193.15828	2.8
199.14832	5.6
217.05025	2.4
217.12392	2.0
217.15881	35.5
217.19537	1.9
235.05951	3.7
235.09470	1.9
235.16910	100.0
235.20671	5.0
236.17232	3.1
245.79799	1.7
259.11676	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1327
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
53.03931	2.3
55.01858	1.4
55.05510	6.5
55.53117	0.8
56.96552	1.4
57.03434	33.0
57.07070	23.3
59.04972	1.6
63.30225	0.7
67.05496	10.7
69.03418	4.8
69.07062	11.1
71.04989	7.5
71.60172	1.4
72.08147	0.8
77.03905	1.1
79.05493	8.3
81.03410	40.0
81.07049	18.1
83.04979	11.4
83.08601	3.1
85.02894	23.0
85.06524	3.0
91.05475	10.7
93.07035	15.7
95.04955	15.1
95.08599	13.8
95.81850	0.9
97.02905	1.1
97.06522	4.4
97.10150	1.3
99.04450	3.5
103.05434	1.3
105.07018	19.6
107.04932	1.9
107.08588	19.2
109.02837	1.2
109.06502	22.2
109.10144	8.8
111.04437	3.1
111.08091	4.8
115.05447	2.2
116.98616	2.0
117.06995	2.7
119.05009	0.9
119.08566	14.8
121.06504	7.5
121.10125	14.9
123.04410	1.3
123.08095	8.9
123.11682	3.7
125.06013	1.8
125.09615	2.3
127.07517	0.8
128.06187	1.0
129.07001	3.0
131.08536	4.5
133.06485	4.6
133.10120	17.9
134.99602	0.9
135.04411	2.1
135.08040	10.7
135.11679	4.8
135.12610	0.8
137.05965	7.8
137.09607	13.0
139.07516	1.2
141.06960	1.5
143.08568	4.1
145.06441	2.9
145.10100	4.7
147.04367	2.2
147.08028	8.2
147.11678	10.4
149.05956	1.6
149.09604	13.9
149.13237	2.3
151.07526	3.1
151.11159	9.8
153.09119	6.4
156.09308	2.8
156.27600	0.8
157.10165	5.6
158.99632	1.6
159.08003	2.5
159.11694	5.6
160.08739	1.0
161.05995	4.5
161.09592	6.4
161.13269	5.8
162.10342	0.9
163.07558	1.5
163.11148	1.4
163.14795	0.9
165.09108	1.7
169.10204	0.9
171.07874	1.0
171.11681	5.1
173.05949	1.3
173.09615	9.2
173.13243	3.0
175.07538	3.8
175.11140	8.1
175.14799	4.5
177.00742	1.9
177.09076	3.6
177.12668	2.6
178.07672	0.9
179.07036	4.0
179.10655	16.3
189.05476	1.2
189.09067	1.3
189.12721	7.8
189.16362	3.8
190.06331	1.0
191.07031	1.0
191.10649	2.3
191.14301	4.8
199.11137	3.6
199.14789	3.9
202.10143	1.0
203.06853	1.2
205.12196	2.7
206.08276	1.1
215.10240	1.1
217.04890	0.9
217.12234	26.6
217.15721	6.7
217.19481	3.6
232.52521	0.8
235.02345	0.9
235.05971	1.6
235.09792	5.0
235.13347	20.2
235.16904	100.0
235.20313	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	231.1702
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
55.05508	0.2
55.56636	0.2
56.05042	0.2
57.05813	0.4
67.05505	0.2
70.06591	1.1
70.78233	0.6
72.08152	100.0
73.60059	0.2
79.05480	0.2
81.07064	0.6
85.02898	0.2
86.02305	0.2
86.48215	0.2
91.05487	0.8
93.07051	0.5
95.08611	0.4
95.46096	0.2
105.07023	1.0
107.08629	0.2
117.07053	0.4
119.08566	0.4
120.12978	0.2
128.06305	0.2
129.07042	0.6
131.08563	0.9
133.10153	0.3
142.07837	0.4
143.08554	1.1
144.09300	0.2
145.10133	0.7
155.08609	0.2
157.10175	0.6
159.08064	0.2
159.11766	0.7
161.09674	0.3
171.11745	0.2
172.68787	0.2
173.09651	0.3
175.07613	0.8
182.24112	0.2
185.09630	0.2
185.13240	2.3
189.09189	0.3
189.12737	0.4
195.11716	0.4
203.10736	0.5
203.14415	0.3
213.12840	0.6
231.06548	0.3
231.13866	2.7
231.17117	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	233.063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01453	0.4
54.50186	0.4
56.56086	0.4
74.77217	0.5
85.02863	0.5
92.37582	0.5
98.20793	1.0
101.00880	1.6
105.93314	0.4
117.51721	0.4
119.01904	4.8
137.02888	0.6
142.85587	0.4
143.01894	5.2
145.03426	0.9
161.02942	12.6
163.04608	0.5
173.02992	0.5
183.05019	0.4
233.06306	100.0
234.06789	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
69.56496	6.1
79.05489	0.9
81.07046	2.3
91.05472	4.8
93.07030	3.5
97.06532	0.9
105.07030	12.1
107.04955	2.0
107.08568	2.3
109.06514	1.1
110.06000	0.9
117.07006	5.0
119.08597	16.1
121.10118	2.1
128.06215	2.0
129.06969	3.3
130.07773	2.6
131.08543	6.2
133.06493	9.1
133.10117	2.0
141.83656	0.9
142.07758	1.5
143.08568	6.9
145.06483	0.9
145.10120	21.1
146.10870	1.8
147.04404	1.1
147.08022	3.8
147.11690	28.2
149.09673	1.0
156.09334	8.6
157.08917	1.1
157.10114	2.6
159.08003	2.6
159.11635	2.7
161.05946	1.7
161.09651	2.3
161.13332	1.0
171.11681	7.4
172.11208	3.7
172.12511	0.9
173.09557	1.3
173.11922	1.4
174.10406	3.3
175.07614	1.1
185.13248	8.1
188.14316	2.2
189.12738	65.6
190.13150	1.1
203.14270	1.2
212.14349	1.3
213.12695	1.7
230.15405	100.0
231.06487	8.4
231.13762	5.6
231.15720	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1535
Annotation	Neopellitorine A
Peak:m/z	Relative Intensity
55.05507	1.1
63.38502	0.8
67.05461	1.2
69.09211	1.1
71.61499	1.2
78.71488	0.9
79.05482	1.2
81.07036	1.5
91.05461	5.8
93.07034	2.3
95.08616	1.0
105.07025	9.2
107.04929	1.3
107.08569	2.7
109.06498	1.3
117.06975	2.2
119.08564	14.5
121.10169	0.8
124.99091	1.0
128.06163	1.3
129.06981	1.8
130.07733	2.1
131.07722	1.0
131.08513	4.7
133.06493	8.2
133.10098	2.1
136.38420	0.9
141.06943	1.3
142.07719	1.8
143.08565	5.2
145.08975	0.8
145.10100	23.0
146.10840	1.1
147.08020	2.9
147.11678	30.3
155.08470	1.3
156.09352	6.1
157.10092	2.5
159.08089	2.1
159.11678	2.7
161.09633	2.0
161.13232	1.2
171.11688	6.5
172.11215	3.7
174.10367	1.8
175.07582	1.4
185.13249	5.0
188.14317	2.2
189.12729	69.3
212.14351	1.2
213.12875	1.4
230.15381	100.0
231.06531	6.0
231.13731	6.0
231.15787	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1797
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
50.04345	1.4
53.03939	4.1
55.01861	1.9
55.05508	56.1
56.96557	6.4
57.03433	4.0
57.07071	9.3
59.05003	13.0
64.60354	1.7
65.03928	1.7
67.05501	32.8
67.05834	3.4
69.03422	18.8
69.07066	25.0
69.70623	3.8
69.71046	8.4
71.04992	11.8
71.08619	2.5
72.16866	1.7
73.02944	1.5
79.05486	7.8
81.03416	2.7
81.06593	1.8
81.07061	32.7
83.04977	57.5
83.08616	39.8
85.02882	2.3
85.06537	31.6
87.04484	2.1
91.05470	8.0
91.77337	1.7
93.07037	16.4
95.04969	9.5
95.08604	25.6
97.02938	1.9
97.06538	4.7
97.10165	9.0
98.20744	2.7
98.97579	13.1
99.04440	2.3
99.08091	14.7
101.06019	9.7
105.07020	8.9
107.08591	32.2
109.06514	5.4
109.10149	89.6
111.08090	5.4
111.11710	3.4
113.05979	4.2
116.98652	7.8
119.08594	13.3
121.10146	16.5
123.08001	2.6
123.11699	40.2
125.09616	19.0
127.03962	2.4
127.07533	1.6
127.11187	33.0
128.02280	1.8
128.98636	1.8
129.02090	1.6
131.08615	2.4
133.10132	13.9
134.99655	3.3
135.11690	26.9
137.02837	2.1
137.05815	1.7
137.09612	4.6
138.10345	1.9
138.55945	1.6
139.11130	2.5
141.12755	2.2
143.08580	1.9
145.10130	5.9
146.99623	2.2
147.11703	5.5
149.13235	16.7
151.11153	10.8
151.14813	3.1
153.12747	16.0
155.10657	3.2
158.99596	3.5
159.01862	1.6
159.11632	1.9
161.09627	2.4
165.12737	1.8
165.16476	1.9
167.14313	38.2
169.04922	2.0
169.12236	56.2
171.13800	4.7
173.09616	1.9
173.11780	2.5
173.13200	2.2
175.14815	14.0
177.00703	7.9
179.10664	3.5
183.11548	3.6
185.13795	1.8
185.15398	13.4
187.11157	2.8
193.15874	25.0
201.12756	3.7
211.11206	2.3
211.16922	100.0
217.07298	9.3
217.57512	2.0
226.07712	3.7
226.57935	1.7
228.58034	2.2
229.04964	4.0
229.08463	2.3
229.12259	4.7
229.14157	4.9
229.15912	7.8
229.18002	27.1
229.19765	2.4
234.33789	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.5
55.01857	3.4
55.05508	67.9
57.03428	4.7
57.07061	7.6
59.04991	14.1
66.96075	1.9
67.05167	2.7
67.05499	34.4
69.03419	20.3
69.07061	28.1
69.37692	20.4
71.04990	12.2
79.05470	7.5
81.07055	29.6
83.04979	68.0
83.08611	36.3
85.06533	35.8
87.04459	4.1
91.05463	5.9
92.62517	2.0
93.07044	21.3
95.04958	8.4
95.08600	22.7
97.06544	3.9
97.10175	9.4
98.20934	8.7
98.97549	6.4
99.08084	15.3
101.06042	11.1
105.07023	9.2
107.08585	39.6
109.06470	3.9
109.10149	97.2
110.97655	2.0
111.08047	8.0
111.11708	3.4
113.06013	4.3
116.98613	3.5
119.08562	10.8
121.10128	14.9
123.08086	2.9
123.11692	48.2
124.32027	2.1
125.09624	21.8
127.07523	3.1
127.11169	36.1
128.06238	2.4
128.11406	1.9
131.08540	4.4
133.10130	13.3
134.99648	2.1
135.11682	36.0
137.09587	4.6
139.11157	3.8
141.12598	2.0
141.64337	2.4
145.10155	4.9
147.11621	4.6
149.13261	14.1
151.11176	11.3
151.14786	3.9
153.09038	2.5
153.12796	12.2
155.08533	2.5
155.10638	2.7
157.10094	2.3
167.14307	37.6
169.12245	51.8
171.13736	3.2
173.09550	2.7
175.14799	15.2
177.00620	3.4
183.08023	2.3
183.11700	4.3
185.15408	13.0
193.15881	22.6
197.11697	7.4
201.09064	6.5
211.16913	100.0
229.08618	7.3
229.12184	3.4
229.15868	2.5
229.17857	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	229.1796
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
53.03955	1.0
55.05504	11.1
57.03421	2.5
57.07061	2.5
59.04989	2.9
64.16015	1.0
67.05497	18.5
69.07068	16.2
70.15037	5.6
71.04983	4.2
79.05492	5.4
81.07053	19.3
82.14703	1.0
83.04971	1.8
83.08624	10.9
85.06530	3.7
91.05465	3.2
93.07045	12.2
95.08602	77.8
97.06529	2.0
97.10158	3.6
98.21008	3.0
99.08083	2.2
101.06027	2.6
105.07022	4.2
107.08601	10.3
109.10148	35.6
111.08080	2.8
115.07547	3.5
118.50565	1.1
119.08582	9.3
121.10134	10.0
123.08033	2.7
123.11703	10.2
125.09592	2.8
126.47433	1.0
133.10126	9.4
135.11670	14.2
137.09625	6.6
137.13188	2.8
139.11160	6.4
145.10190	1.1
147.11664	3.1
149.13225	6.0
151.11154	1.8
151.14781	1.6
163.14821	15.7
165.16360	3.3
167.14270	1.3
175.14815	20.5
181.15863	18.8
183.11682	1.6
186.78732	1.1
193.15860	27.5
211.16919	100.0
229.05029	2.2
229.12206	2.6
249.90373	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
55.57840	0.2
56.96561	0.6
57.03440	0.4
57.88676	0.2
58.06306	0.3
58.06593	4.5
58.49450	0.2
59.07368	1.0
60.08159	7.0
68.05022	0.8
70.06587	27.7
71.11399	0.4
71.11748	0.2
72.08163	0.5
96.08134	1.0
97.57530	0.2
98.06062	0.5
98.97588	0.6
112.19091	0.2
114.05526	3.4
114.09155	1.5
116.07098	0.9
116.98606	0.4
119.01883	0.4
124.07580	3.3
126.09158	0.7
134.99672	0.3
142.08623	28.9
143.08939	0.2
153.01855	0.4
170.08124	1.4
192.14993	0.2
199.32385	0.2
205.98917	0.2
207.57431	0.2
229.15454	100.0
230.15814	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1546
Annotation	Pro Ile
Peak:m/z	Relative Intensity
55.01873	0.4
56.96551	0.3
57.03444	0.5
58.06598	5.1
59.07382	1.2
60.08160	6.5
61.02919	0.3
65.36800	0.2
68.05037	0.9
69.03430	0.4
69.83188	1.0
70.06589	31.9
72.08167	0.7
72.14588	0.2
73.02911	0.5
81.04536	0.5
85.02902	0.3
95.06081	1.3
96.08133	1.2
97.02887	0.4
98.06055	0.7
98.97554	0.5
101.00864	0.4
114.05527	3.9
114.09171	1.5
116.07108	0.9
116.98662	0.2
119.01894	1.3
124.07592	3.4
126.09151	0.5
127.03977	0.2
127.05013	0.4
128.02306	0.4
128.98582	0.2
137.02911	0.3
142.08627	29.8
143.08972	0.3
148.03818	0.3
154.07320	0.3
155.08252	0.2
157.04497	0.3
170.08105	1.4
178.82741	0.2
183.07658	1.3
183.11278	0.8
187.04529	0.3
192.02858	0.2
193.58281	0.2
215.00362	0.3
229.11766	2.6
229.15457	100.0
230.15854	1.2
237.23286	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.9
57.03432	21.2
57.07049	3.3
59.04994	4.1
61.14300	1.8
67.05499	100.0
69.07056	2.7
69.44594	7.8
69.45020	7.1
71.04995	3.3
80.02450	1.6
81.07050	19.2
83.08605	7.9
85.06536	2.0
91.05473	6.8
93.07013	5.6
94.28089	1.4
95.08586	8.1
98.20776	3.6
104.85764	1.5
107.08566	2.0
109.10149	98.5
111.08047	3.7
119.08574	7.1
131.08572	2.2
137.09602	4.5
142.08612	1.8
145.28053	1.7
155.10605	4.8
164.71777	1.5
173.11742	35.0
173.13168	3.7
181.52704	2.1
229.14206	43.7
229.19479	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	229.1434
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.05505	8.1
56.60940	0.9
57.03439	19.9
57.07047	1.4
59.04995	6.3
61.24637	1.0
65.03903	1.0
67.05504	100.0
67.14297	0.9
68.05819	1.3
69.07040	2.8
70.06561	1.7
71.04958	3.8
74.62531	0.9
79.05482	1.3
80.85902	0.8
81.07057	13.1
83.08625	8.5
85.06496	4.3
91.05481	5.7
93.07014	3.6
95.08598	6.8
107.08535	1.6
109.10155	90.6
111.08046	4.4
119.08568	6.5
137.09555	3.6
142.08557	2.0
143.08575	1.3
145.10065	1.3
155.08519	1.2
155.10651	5.6
168.09233	1.0
173.11740	33.7
188.92558	0.9
197.44751	1.1
211.11177	1.0
229.12405	2.3
229.14221	38.5
229.19218	2.7
229.23460	1.8
230.14621	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52268	0.2
53.03928	0.5
55.05509	0.4
56.84600	0.2
57.03424	0.3
57.07061	0.3
67.05492	0.7
69.03437	0.3
69.07059	0.4
69.87752	0.7
69.88171	1.1
70.06583	0.8
71.04975	0.4
73.20613	0.3
78.04713	1.6
79.05485	1.6
81.07054	0.7
85.02888	0.4
91.05470	2.1
93.07030	1.2
93.52188	0.3
95.04963	1.0
95.08590	0.3
98.21474	0.6
99.00813	0.5
103.05453	0.9
104.13988	0.3
105.07021	0.8
106.04160	1.1
107.04944	1.2
109.06532	0.5
109.10109	0.4
119.04919	0.6
119.08553	0.3
121.06512	2.1
122.03638	0.5
123.04426	5.9
124.05194	2.0
126.05476	0.3
133.06479	0.9
134.03653	0.5
137.05959	0.8
143.08525	0.3
145.79842	0.3
147.04391	0.6
149.05984	2.5
151.03918	1.6
152.04666	1.7
155.04886	0.3
161.05934	0.7
165.05556	0.6
166.06247	0.5
167.07033	100.0
168.07355	1.4
173.13319	0.3
181.08572	2.3
183.11707	0.8
187.11140	0.2
193.08592	2.5
201.09090	0.3
201.12683	0.5
202.58081	0.3
211.09610	1.0
211.11400	0.3
229.04866	0.6
229.08568	0.5
229.12181	1.6
230.04858	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03925	1.4
55.01855	2.2
55.05506	8.7
56.96553	2.8
57.03432	5.2
57.07079	4.8
59.04994	4.9
65.03896	1.0
67.05495	8.6
69.03428	5.9
69.07068	13.7
71.04993	19.1
71.26778	1.0
71.27106	1.2
73.02894	2.0
73.06538	2.1
75.04480	1.9
79.01828	1.3
79.05492	5.0
81.03406	1.6
81.07054	13.7
83.04977	6.6
83.08610	8.4
85.02905	1.2
85.06537	9.2
91.05466	6.1
93.07040	18.7
95.04964	100.0
95.08595	11.6
97.02856	1.5
97.06522	17.5
97.10174	4.8
99.04448	13.6
99.07480	1.4
99.08089	22.4
100.11249	1.5
101.06031	1.2
103.05443	1.5
105.07030	8.1
107.04916	1.4
107.08591	18.6
109.06514	16.1
109.10150	10.7
110.06043	1.0
111.04410	1.7
111.08076	6.2
111.11713	1.3
113.06006	1.6
113.09611	2.1
115.07581	6.6
119.01866	3.3
119.08566	7.3
120.78284	1.2
121.06489	3.0
121.10145	16.3
123.04365	1.5
123.08052	2.8
123.11723	5.3
125.06026	1.4
125.09620	10.3
127.07552	10.9
131.01913	1.1
131.08553	4.2
133.10126	25.7
134.99603	1.2
135.08026	4.4
135.11668	6.4
135.73846	0.9
137.09589	3.7
139.11165	9.8
140.04665	1.9
143.01877	2.5
143.03326	1.0
143.10626	4.8
145.10115	2.2
147.11667	4.4
149.09578	2.2
149.13237	7.6
151.11174	6.6
153.01840	7.4
153.05493	1.1
153.09099	30.5
153.12653	1.8
155.07005	2.3
157.03293	1.0
161.02914	3.7
162.03088	0.8
163.11179	1.3
163.14815	4.5
165.05620	1.3
165.06956	1.5
165.12761	1.7
167.03418	1.2
167.07030	10.7
167.10651	1.8
167.14319	2.6
171.10156	16.5
173.13260	12.4
177.05484	2.8
181.05020	5.6
181.10062	1.4
181.12187	0.9
181.15747	1.3
183.06371	1.0
189.04355	0.9
191.14281	10.4
199.07437	1.2
209.04512	0.9
209.08055	2.2
209.12042	1.2
209.13467	1.5
209.15359	26.4
227.07001	2.5
227.10492	2.7
227.16393	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Blumenol B
Peak:m/z	Relative Intensity
55.05490	3.6
57.03447	4.8
57.07063	2.1
59.04982	1.9
64.45753	0.9
66.82681	0.8
67.05489	3.8
69.03411	2.1
69.07069	4.3
70.39766	1.7
70.40158	1.8
71.04992	15.7
73.06548	1.1
75.04465	3.3
79.05473	2.9
79.90789	0.9
81.03394	0.9
81.07054	6.8
83.04951	2.4
83.08610	2.7
85.06541	5.7
91.05473	2.7
93.07045	8.9
95.04967	100.0
95.08601	7.7
96.05264	1.4
97.06522	13.7
97.10143	1.5
97.73495	0.9
99.03841	1.6
99.04453	26.6
99.07478	1.2
99.08077	12.4
99.19896	0.9
100.11234	2.8
104.35042	0.8
105.07015	4.2
107.08580	13.4
109.06527	9.9
109.10126	5.0
111.08054	3.7
113.09616	1.6
115.07544	3.5
119.08588	4.5
121.06512	2.3
121.10140	8.2
123.08053	2.6
123.11700	5.3
124.17049	0.9
125.09616	5.1
127.07558	4.4
131.08575	2.3
133.10120	20.3
135.08011	3.5
135.11685	2.5
139.11209	6.9
143.01932	1.0
143.10637	2.7
147.11700	5.7
149.13232	5.3
151.11139	3.0
153.09093	33.7
153.12744	1.5
154.35475	1.0
161.02982	1.7
163.11143	1.0
163.14813	3.0
167.07037	10.0
171.10159	8.6
173.13272	7.2
177.05437	3.5
183.13782	2.2
191.14301	9.9
209.15355	24.9
227.16396	31.8
228.10141	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	227.1641
Annotation	Tanarifuranonol
Peak:m/z	Relative Intensity
53.03937	1.0
55.01840	1.1
55.05500	2.1
57.03435	5.9
57.07069	2.2
57.42014	0.7
58.62531	0.8
59.04987	1.5
67.05485	2.6
69.03422	2.2
69.07076	4.4
70.77689	1.8
70.78085	1.4
71.04993	12.5
72.56889	0.8
73.06525	0.8
75.04485	3.7
79.05476	3.3
81.07044	6.1
81.80698	0.8
83.04964	1.6
83.08606	3.0
85.06522	4.6
91.05466	3.1
93.07036	6.6
95.04964	100.0
95.08618	7.0
96.80460	0.8
97.06521	14.9
97.10165	1.5
99.04448	24.2
99.08082	9.7
100.11242	1.9
105.07005	4.7
107.08588	11.0
109.06535	11.4
109.10157	6.8
110.95894	0.9
111.08046	2.8
113.06010	1.0
113.09631	1.0
113.14909	0.7
115.07569	4.5
119.08570	3.8
121.10143	7.8
123.08063	2.8
123.11700	3.6
125.06009	0.9
125.09621	4.8
127.07533	5.1
131.08582	3.6
133.10129	19.4
135.08028	2.3
135.11681	3.1
137.09605	1.3
139.11163	6.8
143.10655	1.4
145.10118	1.8
147.11687	3.9
148.81129	0.8
149.05956	1.2
149.13263	6.2
151.11159	2.7
153.09097	34.2
153.12770	1.6
154.09492	0.9
158.10841	0.8
161.02972	1.7
163.11172	0.9
163.14812	2.3
165.12724	1.5
167.07037	7.8
167.14325	0.8
169.12183	1.4
171.10172	6.9
173.13258	7.4
177.05421	2.5
183.13820	2.2
191.14293	10.5
198.05684	0.7
209.08168	0.9
209.15359	24.3
226.60901	0.9
227.06898	0.9
227.16388	24.5
227.18484	1.5
228.10139	1.6
245.01587	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	Blumenol B
Peak:m/z	Relative Intensity
53.03941	3.5
54.59789	2.6
55.05502	20.3
56.96557	7.9
57.03435	4.6
57.07079	5.8
67.05505	14.8
69.03419	8.9
69.07064	18.4
69.44311	3.0
70.87044	6.4
70.87422	4.8
71.04987	8.0
73.02892	3.0
79.05499	14.4
81.03405	2.9
81.07059	27.9
83.04981	11.8
83.08615	9.6
85.02883	4.7
85.06544	8.2
91.05484	13.5
93.07041	29.2
95.04962	3.9
95.08595	22.9
97.02893	5.2
97.06545	14.9
97.10158	3.0
98.97581	48.9
99.04454	8.8
100.11256	11.6
105.07010	10.4
105.94991	2.9
107.04955	4.4
107.08583	54.9
109.06544	8.5
109.10151	40.1
111.08073	20.3
112.08596	2.8
116.98615	30.4
119.08579	7.9
121.06489	7.8
121.10144	41.0
123.08070	15.4
123.11710	13.3
125.06008	15.4
125.09622	77.9
131.08574	7.6
133.09210	4.2
133.10121	32.8
134.99667	10.5
135.08023	14.0
135.11682	16.5
137.05952	3.1
137.09596	7.3
139.11163	5.4
147.11681	5.9
149.05989	5.6
149.09628	6.1
149.13248	14.0
151.11165	42.5
153.09099	100.0
156.13750	3.8
158.10884	4.0
158.99724	18.1
163.11165	4.9
163.14798	17.3
165.12737	3.8
167.07031	49.3
167.14351	3.6
171.11633	3.7
173.13234	18.6
177.00711	35.9
177.05460	12.5
179.14291	28.5
180.05318	3.0
186.07213	17.4
191.14314	39.1
192.67934	3.1
193.15846	17.6
194.16277	4.3
195.07770	20.1
195.57907	5.7
197.57974	5.7
200.02325	4.3
204.08284	4.9
206.58577	5.6
209.08144	6.8
209.15289	31.2
215.09300	17.1
215.59558	6.9
227.12640	3.4
227.16197	13.8
233.13864	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	227.164
Annotation	Blumenol B
Peak:m/z	Relative Intensity
54.19534	4.4
55.05511	23.0
57.03431	9.3
57.07065	10.1
59.04989	5.6
62.04706	3.6
67.05494	17.8
67.47121	4.1
69.03421	7.2
69.07063	29.6
70.58104	12.8
71.04987	40.3
71.05338	5.7
79.05478	15.0
81.07047	30.6
83.04978	13.1
83.08611	15.5
85.02879	14.5
85.06551	18.9
91.05473	13.9
93.07063	23.1
95.04959	18.3
95.08591	28.4
97.06533	11.7
97.10178	11.1
99.04450	90.1
99.08070	5.3
100.11260	12.6
105.07023	17.2
107.08597	55.9
109.06540	10.0
109.10159	36.7
111.08051	16.3
119.08584	13.0
121.06538	8.4
121.10145	38.8
123.08057	21.2
123.11710	37.1
125.05991	16.0
125.09626	83.5
126.83590	4.7
131.08566	8.9
133.10121	33.2
135.08049	15.5
135.11693	14.1
137.09631	9.4
137.13232	7.7
139.11151	6.3
145.10062	6.0
147.11684	12.6
149.09604	7.5
149.13271	23.3
151.11180	46.9
153.09093	100.0
160.38254	4.3
163.14827	14.6
165.12715	13.3
167.07002	13.2
169.12193	11.2
173.13235	27.8
177.05469	8.4
181.04831	6.2
183.13782	14.6
191.14307	41.3
207.09570	6.7
209.15344	45.8
218.31828	4.5
223.45276	5.5
227.16316	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03949	3.0
55.01851	3.0
55.05509	16.6
55.80379	1.8
56.58644	1.8
57.03433	11.1
57.03660	1.7
57.07061	5.1
60.70307	1.7
65.03957	1.9
67.05505	65.2
69.03398	2.4
69.06728	2.0
69.07064	26.6
71.04972	8.0
71.08649	2.2
71.60295	2.9
73.02892	2.5
79.05487	35.6
81.07052	100.0
82.21470	1.8
83.04977	10.4
83.08615	18.5
85.06536	7.3
91.05474	19.8
92.47148	1.6
93.06472	3.4
93.07040	67.5
94.09837	2.2
95.04973	10.2
95.08061	2.0
95.08609	28.3
97.06530	17.6
97.10164	4.2
99.04445	3.2
99.08080	6.2
99.43493	1.7
100.11242	5.5
105.07040	8.8
107.08592	38.0
109.06491	5.8
109.10157	5.1
111.08064	9.4
117.07011	12.9
118.97915	1.7
119.08577	4.8
121.06488	2.8
121.10130	22.7
123.11722	4.2
125.09630	5.6
129.07021	2.3
131.08569	11.1
133.10100	14.2
135.08049	3.6
135.11699	21.1
139.11200	3.5
143.08569	2.2
147.11697	3.0
149.09596	3.6
149.13249	73.9
151.11134	3.3
153.06934	2.0
155.06949	2.5
159.11682	27.7
167.07054	8.1
167.14154	1.8
171.11720	2.7
177.05484	2.1
177.12767	14.9
195.13779	27.5
213.14725	2.3
227.06924	2.1
227.10844	2.7
227.12747	7.5
227.16089	2.9
227.18033	3.5
230.76321	2.3
237.05193	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03947	3.9
55.01859	4.2
55.05506	24.1
56.88905	1.9
57.03436	5.3
57.07051	6.1
59.05020	2.0
67.05500	26.3
67.58265	1.9
68.00671	1.9
69.03426	38.2
69.03771	4.5
69.07061	39.1
70.77632	4.9
70.77979	3.0
71.04987	36.3
79.05488	33.2
81.03405	9.4
81.07053	51.2
82.06580	2.5
83.04977	22.2
83.08622	16.8
83.43051	2.2
87.04494	2.4
91.05466	17.0
93.07035	54.9
95.04959	11.5
95.08598	46.9
97.06513	13.6
97.10156	22.0
99.04439	12.4
99.08106	3.4
100.11253	10.1
105.07023	22.2
107.04932	7.5
107.08590	100.0
109.06525	14.8
109.09459	3.1
109.10151	38.7
111.08066	18.5
115.07576	11.1
117.07025	6.8
119.08579	12.0
121.06518	15.9
121.10142	33.1
123.08070	10.4
123.11693	14.1
125.09626	34.9
129.09090	6.0
131.08542	12.4
133.10118	21.6
135.08041	26.8
135.11646	10.4
137.09627	13.2
143.10670	5.6
145.10114	6.3
147.11687	15.3
149.09622	15.5
149.13249	16.0
151.11171	28.6
153.09100	11.5
158.10907	4.1
161.13341	2.8
163.11111	2.8
163.14801	26.4
165.12738	13.1
167.07079	3.4
167.10799	3.0
173.13239	37.8
182.15430	2.4
191.14291	45.2
200.83400	2.2
202.66646	2.4
209.15332	28.3
213.17790	6.6
227.16412	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	227.1639
Annotation	Blumenol B
Peak:m/z	Relative Intensity
50.99347	1.9
53.03931	3.2
55.01854	6.7
55.05510	19.3
56.96552	5.0
57.03429	6.2
57.07068	8.6
59.04999	9.6
65.03930	4.0
67.05503	12.9
69.03429	24.9
69.07066	22.9
69.21265	1.7
69.51594	15.3
71.04988	26.2
73.02912	15.8
73.06549	3.5
79.05480	16.6
81.07059	29.8
83.04977	17.4
83.08598	13.2
85.02911	2.8
85.06537	16.6
87.04459	3.9
91.05455	13.8
93.07038	36.0
95.04965	100.0
95.08610	25.8
97.02869	3.2
97.06520	23.3
97.10184	11.7
98.97575	3.4
99.04441	14.3
99.08094	34.6
100.11256	23.6
103.05479	4.2
104.82407	2.0
105.07037	18.1
107.04974	7.5
107.08585	36.5
109.06521	26.4
109.10139	15.7
111.04459	4.2
111.08051	11.5
111.11721	2.6
113.05926	2.4
113.09661	4.2
115.07564	8.6
116.98649	4.3
119.01926	3.4
119.08590	10.8
121.06512	6.7
121.10134	45.8
123.04410	8.5
123.08070	5.7
123.11705	20.5
125.05968	4.4
125.09626	76.7
127.07562	19.1
131.08572	10.7
133.10120	41.7
135.08031	12.6
135.11646	10.3
137.09641	7.2
139.03917	2.4
139.07538	3.1
139.11171	11.4
140.04645	15.9
141.03070	2.4
143.01912	2.5
143.10684	4.4
145.10094	4.4
147.04366	3.9
147.11688	13.5
149.06004	5.6
149.09595	26.5
149.13239	16.9
151.11189	22.9
153.07068	3.0
153.09094	45.9
153.12669	3.4
155.07024	29.5
159.15828	2.1
160.63181	1.9
161.02940	3.7
163.07573	2.5
163.11232	3.1
163.14806	12.4
165.12790	3.7
167.07028	34.6
167.08405	2.9
167.10690	19.7
171.06607	3.5
171.10158	15.0
173.08121	2.7
173.13206	19.8
177.05515	10.1
181.04950	44.3
181.06502	4.2
183.03053	3.6
191.10696	3.4
191.14275	25.9
192.03654	2.3
195.06584	3.4
195.10153	4.4
197.01253	3.5
206.09151	2.1
209.08138	12.3
209.11658	3.2
209.15297	56.7
209.17023	3.0
215.06808	1.8
227.07030	5.5
227.09131	9.9
227.12906	3.2
227.16327	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
50.54002	0.6
55.01863	1.2
55.05504	4.0
57.03435	4.1
57.07076	2.9
59.05001	3.0
67.05504	5.1
69.03428	2.7
69.07060	4.9
71.04990	14.8
71.59368	0.7
71.59774	1.0
73.02924	0.9
73.06552	2.1
74.06073	0.6
75.04488	2.1
78.24018	0.6
79.05473	3.2
81.07050	8.3
83.04971	2.5
83.08592	3.5
84.04491	0.8
85.06551	4.8
91.05477	4.7
93.07037	9.5
95.04964	100.0
95.08595	8.2
97.06527	16.2
97.10171	3.4
98.77223	0.5
99.04455	14.6
99.08086	17.0
99.09063	0.7
100.11252	5.9
103.05476	0.9
105.07041	5.2
106.04152	0.5
107.04954	1.8
107.08588	11.8
109.06512	12.7
109.10137	5.5
111.04450	0.8
111.08066	3.6
113.06035	0.8
113.09634	0.6
115.07555	3.6
117.06971	0.8
119.08566	5.5
121.06477	1.9
121.10143	9.8
123.04439	1.8
123.08031	1.5
123.11684	3.5
125.06027	0.7
125.09628	8.3
127.03893	2.8
127.07541	6.7
131.08542	3.4
133.06467	0.7
133.10124	21.8
135.08063	3.9
135.11667	3.7
137.05951	1.5
137.09628	0.8
139.03885	0.8
139.11176	6.0
140.04633	1.0
143.08562	0.7
143.10675	5.5
145.10107	1.4
147.11665	4.2
149.05948	2.2
149.09613	1.6
149.13243	5.1
151.03807	0.6
151.07567	0.8
151.11172	2.4
153.01794	2.4
153.05568	0.7
153.09094	28.0
155.06952	1.7
163.14764	3.4
165.12761	1.9
167.07037	18.0
167.14345	0.6
168.07330	0.7
171.10161	14.9
173.13252	9.1
177.05481	3.9
181.04930	3.6
181.06410	1.0
183.03062	1.2
191.10571	1.1
191.14301	9.2
192.03516	0.8
197.01086	0.8
203.54395	0.6
209.04527	3.0
209.08040	2.1
209.11737	0.9
209.15305	18.2
227.16360	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	227.164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45974	0.7
53.03944	2.3
55.01871	4.6
55.05509	7.8
56.96563	4.1
57.03428	3.3
57.07068	3.1
57.24805	0.8
59.04997	2.6
63.20742	0.8
65.03939	7.4
67.05502	7.3
69.03428	4.5
69.07064	8.5
69.49190	0.8
71.04993	12.5
71.08634	1.0
73.02495	1.9
73.02911	38.5
73.06549	1.3
75.04495	2.1
77.28881	1.0
79.05487	6.0
81.03410	1.2
81.07050	9.5
82.04203	1.5
83.04982	3.9
83.08629	3.9
85.02897	5.9
85.06532	5.6
87.72453	0.8
91.03938	1.7
91.05472	7.0
93.03408	1.5
93.07029	11.7
95.04962	70.1
95.08601	10.0
97.02893	2.1
97.06522	15.3
97.10174	3.9
98.20749	2.8
99.04453	12.6
99.08083	16.7
100.11242	16.8
100.11862	1.1
103.05443	1.5
105.03427	0.9
105.07011	5.2
107.04947	3.6
107.08591	12.4
108.02084	1.2
109.06505	11.0
109.10159	7.3
110.03661	3.6
111.04459	2.5
111.08064	3.8
111.11678	0.8
113.06034	1.3
113.09639	1.3
115.07561	6.4
117.06982	1.6
119.04886	1.0
119.08587	5.1
121.06517	5.3
121.10134	9.6
123.04425	11.7
123.08078	3.3
123.11713	3.5
125.02377	1.3
125.05997	4.8
125.09612	6.8
127.03951	1.0
127.07528	6.1
131.04947	1.1
131.08583	2.6
133.10126	23.7
133.11081	1.6
133.47276	0.8
134.99654	0.9
135.04390	1.2
135.08058	3.8
135.11656	4.8
137.05997	1.6
137.09593	1.4
138.03134	1.7
139.03911	1.1
139.07562	1.3
139.11168	5.2
140.04677	48.2
141.05043	1.1
142.00958	1.5
142.02617	2.6
143.10689	3.0
145.10127	1.7
147.04442	1.1
147.11722	4.0
149.05983	2.4
149.09657	5.2
149.13246	4.4
151.11183	3.8
153.01785	2.6
153.05408	2.5
153.09099	19.1
153.12735	1.3
155.07016	70.2
156.00871	1.0
156.07385	1.5
161.03003	1.2
163.03952	1.0
163.11281	1.7
163.14832	4.6
165.07436	1.1
165.12770	2.3
166.06250	1.2
167.07040	17.4
167.10707	1.2
170.99846	0.9
171.06514	7.3
171.10126	10.3
173.08102	7.7
173.09543	1.2
173.13261	9.8
177.05479	4.7
179.07048	3.4
181.04948	100.0
181.08395	5.1
182.05341	3.5
191.10664	1.6
191.14304	10.5
193.00758	2.1
194.97998	0.8
195.06500	1.2
199.07578	1.2
202.01321	1.7
204.51532	2.3
209.08093	24.9
209.11494	1.7
209.15184	13.0
210.08322	1.0
216.06412	1.8
227.07103	2.5
227.09091	25.3
227.14116	2.1
227.16261	31.4
228.07103	1.3
228.09914	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	Annuionone G
Peak:m/z	Relative Intensity
51.38630	1.7
53.03942	3.0
55.01870	3.3
55.05507	12.0
56.96563	8.5
57.03410	2.8
57.07065	6.3
58.64661	1.8
59.04987	4.7
65.03941	3.1
67.05507	11.9
69.03425	22.4
69.07066	20.3
69.56356	11.0
71.04987	9.7
73.02923	4.1
78.26212	1.5
79.05489	15.9
81.03398	1.8
81.07050	32.9
83.04974	11.4
83.08604	6.7
85.02885	2.9
85.06525	6.0
86.69040	1.6
87.04467	9.6
91.05474	89.1
93.07037	46.9
95.04958	29.8
95.08601	20.3
97.02872	2.1
97.06519	8.4
97.10157	4.9
98.20749	3.2
98.97575	7.1
99.04445	5.1
99.08100	8.3
100.11250	14.1
103.05492	2.0
105.03390	28.6
105.07014	14.0
107.04974	5.9
107.08588	33.7
109.06527	9.7
109.10133	7.9
110.97592	1.9
111.04381	3.0
111.08084	7.7
111.11713	4.5
111.73363	1.5
113.05988	2.5
115.07561	1.7
116.98621	8.0
117.06982	3.6
119.08546	7.8
121.02731	1.6
121.06535	8.7
121.10135	60.7
123.04462	4.0
123.08064	12.3
123.10810	2.8
123.11698	54.9
124.05199	2.0
125.09617	56.9
127.07589	2.6
128.98589	2.7
131.00194	4.6
131.04916	2.0
131.08553	3.7
133.10129	14.5
134.99649	2.9
135.08058	18.1
135.11702	4.0
137.05981	6.3
137.09651	4.9
139.07529	7.5
139.11183	6.8
140.04692	4.2
143.00055	1.9
143.08536	1.9
145.06485	1.9
145.10132	2.6
146.99641	5.0
147.08096	1.6
147.11687	10.3
149.01205	4.8
149.02301	2.1
149.05911	8.2
149.09615	41.6
149.13203	8.5
151.11182	32.5
153.05472	3.1
153.09093	16.7
153.10226	2.4
154.09898	2.1
155.07027	6.3
157.06439	2.3
161.01239	4.8
161.02925	1.8
163.07558	14.6
163.11154	2.4
163.14813	5.9
163.90350	1.7
165.12767	4.4
167.07031	100.0
167.10666	84.0
167.14288	2.9
168.07430	1.7
171.08032	2.6
171.10147	3.8
173.13255	6.2
177.05405	7.5
177.09056	4.7
181.04964	8.8
181.06467	4.1
181.08559	2.8
181.12196	1.7
182.15359	2.0
183.06461	1.8
185.01222	4.5
186.99141	4.5
191.02292	2.3
191.07065	3.0
191.10675	2.7
191.14317	16.4
199.07558	6.3
203.02238	10.4
209.04445	3.2
209.08063	7.1
209.11755	5.4
209.15338	32.1
213.17696	2.8
215.03928	6.5
217.60236	1.6
218.65027	1.5
219.01743	4.5
220.42400	1.6
221.03322	3.2
225.15994	1.4
226.03667	1.7
227.07098	15.0
227.08971	3.5
227.10818	2.4
227.16185	19.5
245.03250	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	MKN-003C
Peak:m/z	Relative Intensity
51.80151	1.1
53.03928	1.5
53.49302	1.2
55.01856	2.1
55.05504	10.1
57.03413	5.7
57.07050	4.6
58.22314	1.2
59.04977	4.1
65.03921	2.3
67.05474	5.9
69.03403	4.3
69.07053	10.2
70.15572	4.5
71.04660	1.6
71.04990	19.1
73.02902	2.9
73.06544	1.5
75.04438	1.4
79.05464	6.3
81.07043	15.0
83.04951	5.1
83.08630	7.2
85.02855	1.7
85.06551	7.0
85.30125	1.2
85.37173	1.4
91.05465	7.9
93.06490	1.7
93.07033	19.5
95.04962	100.0
95.08602	13.5
97.05993	1.8
97.06525	19.5
97.10132	3.8
99.04455	15.7
99.08094	30.8
100.11249	8.2
103.05434	3.0
105.07008	9.2
107.04900	2.6
107.08590	24.0
109.02868	1.5
109.06503	16.2
109.10166	10.2
111.08046	6.5
113.05979	2.2
113.09633	2.4
115.07583	9.3
116.98614	2.0
119.08532	6.2
121.06490	7.0
121.10127	20.4
123.04359	3.3
123.08020	4.0
123.11656	5.8
124.05219	1.5
125.09620	7.7
125.13274	1.6
127.07563	14.8
131.04871	3.8
131.08540	5.8
133.06454	1.8
133.10126	34.5
135.08009	5.4
135.11667	7.4
137.05893	3.9
137.09581	3.4
137.13187	1.4
139.11160	12.8
140.04607	4.0
143.01823	1.9
143.10620	5.3
145.10081	2.8
146.99585	2.1
147.11717	7.0
149.05948	9.7
149.09546	1.8
149.13226	10.8
151.11162	8.2
153.07913	1.9
153.09097	32.2
153.12743	2.2
155.07028	3.3
157.06560	1.7
158.10921	1.4
161.02902	2.8
161.05916	2.5
163.14803	7.2
165.12697	2.2
167.07040	43.0
167.14279	2.4
168.07318	2.0
171.10167	13.1
173.13240	16.0
177.05446	12.6
181.04924	4.9
191.14268	13.1
209.07994	4.5
209.15308	27.4
227.09033	1.9
227.16357	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Blumenol B
Peak:m/z	Relative Intensity
55.01860	2.2
55.05505	12.3
57.03422	3.9
57.07053	4.5
59.04979	3.2
67.05497	8.8
69.03403	6.4
69.07063	12.8
70.04984	4.0
70.05421	4.9
71.04980	5.1
79.05476	9.2
81.07046	18.8
83.04965	9.3
83.08627	7.6
84.62476	1.4
85.02876	2.0
85.06507	6.2
91.05456	7.2
93.07040	12.0
95.04945	6.9
95.08596	20.8
97.02865	2.8
97.06510	9.6
97.10140	5.6
99.04444	5.9
99.08045	3.8
100.11214	3.8
105.07031	8.2
107.08575	40.0
109.06501	9.3
109.10141	22.1
111.08064	13.8
116.94502	1.5
119.08570	4.4
121.06474	3.2
121.10124	25.9
123.08038	7.3
123.11714	11.0
125.05984	14.8
125.09612	84.2
131.08556	5.5
133.10118	29.0
135.08006	15.6
135.11650	10.6
137.09573	4.3
137.13237	2.8
139.07521	5.0
139.11121	2.1
145.10085	4.0
147.11668	5.5
149.09598	5.4
149.13231	11.8
151.11165	39.6
153.09081	100.0
158.10883	2.2
163.14796	16.5
165.12711	3.3
167.07027	6.0
167.10637	1.8
167.14313	2.5
173.13235	18.7
181.15878	3.0
191.14284	36.5
193.46263	1.5
199.17989	1.6
209.08165	2.0
209.15308	29.5
226.22073	1.5
227.16432	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	227.1276
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01865	4.0
55.05503	6.7
55.07922	1.5
56.96557	27.6
57.03433	2.9
57.07061	6.0
59.05003	1.5
59.84034	1.7
65.03931	5.2
67.05503	28.6
68.99780	6.4
69.03423	3.6
69.07054	7.8
71.04989	18.7
73.02914	15.4
78.04698	1.4
79.05484	30.8
81.03408	2.5
81.07060	9.7
83.04974	11.4
83.08591	3.4
85.02891	3.2
85.06537	100.0
87.04464	1.9
91.05474	18.1
92.05786	1.4
93.03427	1.7
93.07036	24.8
95.04963	16.7
95.08625	2.8
95.53192	1.5
97.06525	8.5
97.10139	1.9
98.20744	6.3
98.97588	4.7
99.04441	3.5
99.08098	5.7
100.11240	8.2
103.05466	2.2
105.07019	17.2
107.04936	13.2
107.08585	26.1
108.01533	6.0
109.06516	9.5
109.10175	2.5
110.03667	2.1
111.04433	18.5
111.08107	1.6
115.05480	2.1
116.98639	3.8
117.07024	4.8
119.08572	17.6
121.06487	16.2
121.10129	23.1
123.04414	37.6
123.08087	2.4
124.04758	3.5
125.05974	10.2
125.09621	1.8
127.03952	3.5
128.06223	2.1
128.82780	1.6
129.07002	6.8
131.08562	66.3
133.10112	5.9
134.99628	2.0
135.04422	2.7
135.08044	2.6
135.11722	5.3
137.05988	3.5
137.09621	6.9
139.03894	45.7
139.07616	2.3
140.04700	18.4
143.08623	2.5
145.06531	2.0
145.10126	27.4
146.99628	1.5
147.04445	3.3
147.08070	5.7
147.11665	2.0
149.05986	4.5
149.09610	64.1
150.03117	12.1
151.03899	46.2
152.04268	4.8
153.05479	6.2
153.06976	3.4
153.09099	3.4
155.07021	30.7
155.08279	1.5
157.10081	1.7
163.07564	4.2
163.11165	24.6
165.01926	1.7
165.09094	11.4
167.07019	33.7
167.10661	33.2
169.01857	2.5
169.03362	3.7
171.06551	2.6
173.08211	2.0
173.09637	4.6
174.02571	15.7
174.52715	3.8
177.05482	3.7
179.00163	10.2
179.07071	2.0
181.01775	2.0
181.04953	39.7
181.08578	3.0
183.03084	58.5
183.53267	11.1
185.01097	2.4
185.09621	2.0
185.53442	4.4
191.08913	2.9
191.10660	60.9
192.03619	33.2
192.53792	6.5
194.53830	11.8
195.04137	1.7
197.01198	45.5
198.01585	3.0
201.00720	2.3
202.01572	1.9
203.54480	3.4
206.08809	3.8
207.05850	1.8
209.01186	3.0
209.08218	11.3
209.11707	58.7
209.13638	3.2
209.15239	3.7
210.02039	1.7
215.02248	17.8
215.09489	1.8
216.06413	3.1
220.02769	5.7
227.02226	20.3
227.06996	5.6
227.08810	7.5
227.12642	28.1
228.02679	3.3
230.35732	1.9
245.03307	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0911
Annotation	Ficusol
Peak:m/z	Relative Intensity
55.01866	6.8
55.05504	9.5
56.96548	4.6
57.03415	3.7
57.07063	2.9
57.40650	1.3
59.04992	2.5
61.82328	1.2
62.04382	1.1
65.03926	4.5
67.05498	9.9
68.99765	1.9
69.03407	8.8
69.07064	11.7
71.04974	11.0
71.59621	2.1
73.02910	38.1
79.05482	9.9
81.03394	1.3
81.07047	11.9
82.04197	1.7
83.04970	7.7
83.08601	6.2
83.09070	1.2
83.74615	1.5
85.02892	5.0
85.06536	21.2
91.03942	1.9
91.05463	11.0
93.07031	17.9
95.04956	47.5
95.08599	11.1
97.06535	11.1
97.10140	4.5
98.97504	2.3
99.04452	10.9
99.08088	13.8
100.11246	8.5
103.05452	2.3
105.07021	8.3
107.04943	4.6
107.08576	20.6
109.06512	12.4
109.10139	7.0
110.03637	3.5
111.04425	5.9
111.08071	5.0
113.05972	3.1
113.09550	1.4
115.05389	1.5
115.07558	3.6
117.06994	1.9
119.04884	1.8
119.08602	6.8
121.06467	7.3
121.10126	21.6
123.04409	12.1
123.08055	4.6
123.11652	7.0
125.05958	4.5
125.09618	23.3
127.07507	6.1
131.04875	2.2
131.08545	10.3
133.10120	17.2
134.99629	1.3
135.08018	5.5
135.11671	4.4
137.05974	4.0
137.09605	4.2
138.03137	1.4
139.03879	6.1
139.07533	2.1
139.11176	7.1
140.04669	44.3
142.02600	2.6
143.10651	1.6
145.10106	4.6
147.04372	5.2
147.11668	3.6
149.05937	4.8
149.09610	17.7
149.13202	7.5
151.03906	4.9
151.11189	9.1
153.05455	3.2
153.07065	2.0
153.09093	19.0
155.07005	61.9
157.06458	1.5
161.02888	2.2
163.11154	4.0
163.14813	3.6
165.09052	3.6
165.12711	1.9
167.07016	26.2
167.10651	10.7
171.06541	8.3
171.10158	4.9
173.08118	6.6
173.13237	9.3
174.02600	1.6
177.05447	5.0
179.07008	2.9
181.04939	100.0
181.08517	4.9
183.03102	4.3
191.10619	11.0
191.14342	9.0
192.03615	3.2
194.53848	1.5
195.06506	3.3
196.09717	1.4
197.01154	3.9
209.08086	28.3
209.11650	11.5
209.15291	19.9
217.42926	1.4
227.02211	2.1
227.06958	4.1
227.09030	23.6
227.12717	4.1
227.16296	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	227.0911
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03939	1.5
55.01875	5.7
55.05497	2.1
60.41660	0.9
65.03926	4.4
67.05484	2.8
69.03419	1.2
69.07057	2.2
70.84509	3.6
71.04971	3.0
73.02496	2.0
73.02911	41.0
75.72546	0.9
79.05473	2.2
81.07058	1.8
81.27238	0.9
82.04188	2.2
83.04970	0.9
83.08617	1.9
85.02892	4.3
91.05473	2.6
93.03395	2.0
93.07043	2.3
95.04974	12.4
95.08590	3.1
97.06516	4.8
97.38715	1.0
99.04429	2.2
99.08089	1.9
100.11272	4.6
105.06988	1.7
107.04898	1.3
107.08588	2.7
109.06512	1.3
109.10146	1.9
110.03649	3.1
111.04434	1.6
119.08551	1.3
121.06521	1.7
121.10126	2.2
122.10352	0.9
123.04417	9.6
123.08097	1.0
123.11689	1.3
125.02335	1.4
125.05958	3.0
125.09601	2.5
127.03934	1.4
127.07549	1.1
131.08551	1.0
133.10117	7.2
138.03125	1.5
139.11172	2.1
140.04677	47.4
142.02600	2.1
149.06013	1.5
153.05463	1.8
153.09096	3.9
155.07019	65.8
155.61308	0.9
163.03931	1.3
166.06270	1.4
167.07030	8.0
171.06531	6.6
173.08063	5.8
173.13170	1.4
179.06967	3.1
181.04944	100.0
181.08502	4.3
182.05431	1.0
182.46526	1.0
188.21683	1.0
191.14278	2.0
209.04482	2.1
209.08072	20.6
209.15190	2.1
227.06923	1.7
227.09106	24.9
227.16460	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	227.0912
Annotation	Ficusol
Peak:m/z	Relative Intensity
51.34870	0.3
53.03928	0.9
55.01865	1.2
55.05511	3.1
56.96567	2.3
56.99985	0.3
57.03410	1.0
57.07061	0.7
65.03918	1.0
67.05487	1.1
69.03412	1.4
69.06728	0.3
69.07068	3.7
69.99236	1.6
70.06564	0.4
71.01316	0.4
71.04987	0.7
71.08596	0.6
73.02894	1.1
78.04703	2.8
79.05486	2.8
81.03407	1.1
81.07037	1.4
83.04967	0.9
83.08626	2.3
84.04491	0.4
84.08111	0.5
85.02888	1.7
85.06532	0.6
89.03909	0.9
91.05480	7.0
93.03397	0.4
93.07032	3.8
94.04156	0.5
95.04964	4.1
95.08596	1.3
96.05765	0.5
97.02889	1.8
97.06512	0.8
97.10155	1.4
98.97569	0.9
99.04417	0.6
99.08097	0.7
100.11234	0.7
103.05460	6.0
105.03407	0.7
105.07061	0.7
106.04147	1.5
107.04945	4.3
107.08561	1.2
109.02872	0.7
109.06489	0.9
109.10170	0.4
110.07133	0.3
110.97581	0.3
111.04415	0.8
111.11727	0.4
112.07600	0.4
116.07095	0.4
116.98602	1.4
117.03374	1.1
119.01925	1.6
119.04929	1.2
120.01995	0.5
120.05693	0.5
121.02841	0.4
121.05652	0.6
121.06499	12.4
121.10123	0.8
122.03630	0.9
123.04428	6.9
123.08051	0.3
124.05219	2.5
125.02343	0.7
125.05988	0.9
125.09563	0.5
127.03913	0.6
128.02327	0.5
128.98601	0.6
131.01897	1.0
131.04935	6.1
131.05927	0.5
131.08568	0.4
133.02788	0.6
133.10092	0.4
134.03612	1.7
134.99648	1.1
135.04381	2.0
135.11681	0.8
137.05968	8.9
137.07039	0.4
139.03856	0.5
140.04677	2.4
142.03542	0.5
143.01903	0.4
143.08583	0.3
145.02699	0.5
145.03554	0.6
145.10156	0.4
146.99648	1.7
147.04417	1.1
148.05182	1.5
149.05972	14.3
151.03937	1.6
152.04695	1.3
153.01807	3.2
153.05420	1.3
153.06688	0.4
153.09088	0.5
155.01881	0.3
155.04594	0.7
155.07028	2.2
156.03317	1.1
157.03473	0.7
158.06570	0.4
158.99675	0.4
159.04428	3.0
161.01208	0.4
161.02940	0.8
162.03052	0.5
163.03891	1.1
163.07533	0.7
164.04980	0.4
165.05470	1.3
166.06313	0.4
167.07030	100.0
168.07683	2.9
171.08015	0.4
173.02844	0.5
174.04405	5.3
175.04149	0.4
176.04691	0.9
177.05461	26.5
178.06087	0.4
180.07748	0.5
181.04926	1.0
181.08578	1.4
181.10010	0.6
183.06601	0.5
185.02930	0.6
186.04434	3.2
188.07732	0.6
191.07024	1.4
192.05423	1.4
194.05714	1.1
195.06551	0.6
197.07980	0.9
201.00705	0.5
203.04042	0.7
204.05449	6.2
209.04424	0.5
209.06100	0.4
209.08051	9.4
209.15297	0.6
221.05112	0.9
222.06473	0.4
227.07054	0.6
227.08876	3.0
227.23788	0.7
228.05345	0.8
244.04305	1.4
245.04977	0.6
246.06473	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	225.1847
Annotation	(E,E)-12-Hydroxy-6,10-dimethyl-6,10-dodecadien-2-one
Peak:m/z	Relative Intensity
54.40742	1.0
55.01844	1.3
55.05507	15.8
56.11077	1.1
57.03440	5.8
57.03661	1.0
57.07056	4.5
59.04984	1.5
67.05502	16.7
67.23944	1.1
69.03415	1.9
69.07063	85.4
71.04955	3.5
71.08627	2.2
71.12635	1.5
71.12958	1.8
79.05479	8.7
81.03407	1.4
81.07051	40.1
83.04958	3.8
83.08616	11.2
85.02885	3.5
85.06523	3.3
87.25722	1.0
91.05471	12.7
93.07027	18.7
95.04940	3.2
95.08601	85.9
95.81616	1.2
97.06524	21.0
97.10172	8.8
99.04428	4.1
101.95032	4.7
105.03365	1.3
105.06380	1.8
105.07028	22.4
107.04944	2.7
107.08583	21.1
109.06478	4.2
109.10149	39.1
111.08089	15.4
111.11712	63.5
115.07562	34.9
119.01985	1.1
119.04956	2.9
119.08572	34.2
119.96063	2.3
121.10142	14.5
123.04433	1.5
123.08059	6.0
123.11703	25.8
125.09638	1.6
131.08517	2.3
133.10123	27.4
135.11678	4.6
137.06000	1.5
137.09596	3.1
137.13234	7.4
147.04370	3.1
147.11682	19.3
149.09622	2.5
149.13251	14.6
151.11188	3.1
160.98683	1.5
161.02916	1.5
161.13249	13.3
163.14856	6.0
165.12718	1.6
167.06998	2.7
167.10687	2.7
169.10155	2.1
175.03886	4.1
177.16351	2.7
178.99704	1.3
179.17984	3.4
180.04117	4.3
183.06499	2.5
189.16376	68.7
190.16518	1.1
192.04140	1.7
195.06566	2.0
197.09727	1.8
207.06552	6.8
207.13914	3.3
207.17427	78.5
208.06842	1.1
208.17809	1.8
214.11211	3.5
225.07309	1.6
225.09229	2.4
225.14787	4.0
225.16704	3.6
225.18465	100.0
225.61902	1.7
226.09694	1.8
226.18822	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	225.1848
Annotation	(E,E)-12-Hydroxy-6,10-dimethyl-6,10-dodecadien-2-one
Peak:m/z	Relative Intensity
53.03939	1.5
55.01863	1.8
55.05505	22.9
56.05040	1.1
57.03428	2.6
57.07066	8.0
59.04985	1.3
65.03935	1.3
67.05498	26.3
69.03426	2.6
69.07060	20.0
69.43169	1.7
69.43581	4.8
71.04988	9.2
71.08620	4.1
79.05479	6.9
81.03403	0.9
81.07050	51.7
83.04974	3.2
83.08609	26.0
85.02897	4.1
85.06538	3.9
85.10184	2.1
87.04473	1.0
91.05468	8.2
93.07042	9.8
95.04979	4.5
95.08597	100.0
96.08940	1.1
97.06528	4.4
97.10168	9.0
98.97559	0.9
99.04446	14.3
99.08091	3.3
101.95045	1.9
105.03392	2.8
105.07023	10.8
107.04936	4.4
107.08585	17.1
109.06509	8.9
109.10146	97.9
111.04431	1.5
111.08076	2.8
111.11739	1.6
113.09634	1.6
116.98647	0.9
119.04932	4.2
119.08569	22.9
119.96076	1.6
121.06464	1.1
121.10135	14.5
123.04400	1.7
123.08064	11.3
123.11696	54.9
125.06007	1.7
125.09637	5.9
127.03912	1.3
128.00757	2.9
131.08548	2.1
133.02841	0.9
133.06467	0.9
133.10117	11.1
134.99660	1.0
135.04384	1.5
135.11678	16.0
137.05940	2.8
137.09624	5.7
137.13242	28.3
137.97092	1.8
139.11192	2.2
141.06992	0.9
141.09094	1.8
143.08598	1.1
145.06386	0.8
145.10141	2.0
147.04398	3.4
147.07990	1.7
147.11690	7.7
149.09595	5.9
149.13254	5.2
151.07532	3.1
151.11157	3.1
151.14807	3.9
153.05437	1.1
155.07011	1.0
155.08459	0.9
155.10645	2.1
155.98123	1.6
156.09312	0.9
156.55803	0.7
158.99576	0.7
161.09631	1.8
161.12209	0.7
161.13248	5.9
163.03836	2.5
163.11133	2.0
163.14799	2.3
165.01767	1.4
165.05440	1.9
165.09094	2.4
165.12708	4.8
165.16382	2.0
167.07062	6.2
167.10620	4.0
169.08708	1.4
169.10107	1.8
169.12164	1.0
175.03897	4.8
177.00594	1.1
178.99733	0.9
179.07030	1.3
179.10747	1.1
179.14348	8.7
179.17934	65.5
180.04167	6.3
183.06546	2.4
183.11726	1.3
183.13777	3.7
189.12743	5.6
189.16362	36.7
190.16745	0.8
192.04303	1.4
193.04875	2.1
195.06499	2.1
196.69717	0.9
197.05878	0.8
197.13208	0.9
207.05168	0.7
207.06534	7.8
207.10016	0.9
207.13956	7.6
207.17418	55.4
213.07550	0.9
225.07350	3.7
225.09135	2.3
225.12668	2.2
225.14774	8.5
225.16682	1.7
225.18428	36.1
225.22083	2.5
226.09679	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	225.1483
Annotation	Annuionone A
Peak:m/z	Relative Intensity
53.03926	0.8
55.05508	5.6
57.07055	0.9
58.62236	0.7
59.05000	1.1
67.05490	2.4
69.07050	1.1
70.88070	1.5
71.04988	35.9
75.66563	0.9
79.05489	4.6
80.06242	0.7
81.03385	1.2
81.07055	7.8
83.04962	2.3
83.08614	6.5
85.02896	12.2
85.06522	1.2
85.13795	0.7
87.04431	1.4
91.05466	4.0
93.07032	3.5
95.04975	2.1
95.08599	7.0
97.06530	2.4
98.97565	0.7
99.04446	100.0
105.07008	5.0
107.08588	39.0
109.06509	20.3
109.10121	1.5
111.04497	1.0
111.08092	0.9
113.09620	5.1
119.08566	2.7
121.10137	15.1
123.08053	31.3
123.11697	15.5
125.06010	1.5
125.09622	10.4
131.08582	2.6
133.10068	1.0
135.11705	1.2
137.09608	2.1
139.11166	5.9
141.12708	2.0
143.01958	1.2
147.11690	5.4
149.08432	0.8
149.09612	16.9
151.07561	1.9
161.02966	2.7
163.11160	0.9
165.09172	0.9
165.12743	11.0
167.07030	0.8
167.10667	30.7
168.48212	0.7
173.21193	0.7
180.04230	0.8
183.06432	0.9
183.13794	30.6
187.40813	0.8
189.12718	3.4
205.98621	0.8
207.06494	1.0
207.13831	3.5
225.07524	1.0
225.14824	22.7
225.16869	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.05503	5.9
57.03419	3.6
57.07067	2.5
59.04980	3.3
59.24932	1.2
66.30244	1.1
67.05502	7.6
69.03426	5.5
69.07053	4.4
69.47369	1.1
69.49733	10.1
71.04975	4.7
79.05493	5.7
81.07049	13.2
83.04977	34.0
83.08624	2.1
85.02905	2.1
85.06539	8.4
91.05463	5.5
93.07041	9.7
95.04971	5.6
95.08602	20.7
97.06516	4.2
97.10130	1.4
99.04461	2.9
99.08083	11.2
101.06031	1.5
105.07021	13.4
107.04990	2.2
107.08570	15.4
109.06506	33.9
109.10143	4.6
111.04436	19.9
111.08070	2.5
113.05994	1.7
119.04903	1.2
119.08582	15.4
119.71247	1.1
121.06493	4.8
121.10138	18.2
123.04415	2.6
123.08057	100.0
123.11694	4.2
125.06000	7.3
125.09641	6.6
127.07530	4.1
131.08559	2.1
133.06494	2.1
133.10141	6.6
135.08020	2.1
135.11662	4.1
137.05981	1.9
137.09581	4.6
137.13214	2.7
139.07486	1.4
139.11165	3.4
141.09061	2.2
143.08571	1.6
145.10085	3.6
147.08034	3.4
147.11685	7.8
149.09616	21.4
151.07552	9.8
151.11177	5.1
153.12737	1.1
156.09248	1.7
161.13263	14.2
163.11134	8.0
165.09134	2.7
165.12755	9.2
167.10658	22.5
169.08607	3.9
171.11681	3.7
174.10475	2.0
179.14297	8.4
181.12227	3.7
183.06564	9.3
189.12711	19.3
207.06422	3.2
207.13794	61.4
208.35910	1.5
225.07452	1.8
225.14807	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03931	1.9
55.01857	1.4
55.05500	5.7
57.03423	2.7
57.07065	2.3
59.04995	10.8
64.98207	0.8
67.05499	8.0
69.03423	13.3
69.07057	9.4
69.73277	5.8
71.04975	2.0
73.74925	0.9
79.05486	11.4
81.07053	15.8
83.04976	8.2
83.08609	3.2
85.02897	1.5
85.06524	1.1
85.63976	0.8
86.70518	0.8
87.04465	9.8
89.63688	0.8
91.05481	12.6
93.07037	38.0
93.07627	1.8
95.04955	4.9
95.08032	1.4
95.08603	14.3
97.06522	5.2
97.10125	1.9
98.21446	0.9
101.06017	2.4
103.05428	1.0
105.07027	32.8
107.04945	1.3
107.08585	35.2
109.06509	11.6
109.10157	5.5
111.04438	0.8
111.08067	5.5
113.05999	0.8
115.07560	1.0
117.07008	3.3
119.04929	2.0
119.08572	20.4
121.06480	2.6
121.10139	9.7
123.08067	14.5
123.11685	3.7
125.05995	1.0
129.06938	1.3
131.08568	3.2
133.06473	3.6
133.10138	8.7
135.08040	2.4
135.11685	3.4
137.05977	3.0
137.09615	6.9
138.92085	0.9
139.11159	3.2
141.09123	2.6
143.08549	2.3
145.10085	3.6
147.08023	6.1
147.11674	13.0
149.09604	6.4
151.07594	3.9
151.11174	100.0
156.09297	4.4
159.08043	1.2
159.11691	4.1
161.09584	3.8
161.11987	1.2
161.13243	16.1
163.11212	4.0
165.09106	3.3
165.12726	2.4
168.71021	0.7
171.11723	4.9
174.10330	2.3
177.12766	4.0
179.14299	2.9
181.12193	6.8
189.12726	16.7
207.13791	78.2
208.14159	1.0
225.14845	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	225.1482
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03923	3.7
55.01864	4.1
55.05507	12.7
57.07067	4.4
59.04983	4.8
65.03922	3.4
66.24141	2.0
67.05231	1.9
67.05502	25.1
67.38088	2.1
69.03423	100.0
69.07060	20.0
69.57346	16.7
71.01360	2.7
71.04992	28.4
79.05480	18.2
81.03405	6.3
81.07051	43.3
83.04966	10.8
83.08617	7.2
85.02881	4.5
85.06520	3.4
87.04455	17.9
91.05474	9.2
93.07034	18.2
95.04942	9.9
95.07995	1.5
95.08591	37.2
97.02882	3.5
97.06509	14.2
99.03828	4.5
99.04440	61.0
105.07021	46.2
107.04918	4.5
107.08582	37.0
109.06496	35.9
109.10155	15.0
111.08062	9.7
111.11741	3.3
113.09615	2.8
117.06912	2.2
119.04907	3.0
119.08565	32.2
121.06485	7.1
121.10130	37.5
121.29286	2.1
122.07259	6.7
123.04398	18.1
123.08062	27.0
123.10886	2.2
123.11683	12.0
125.09607	8.8
129.06992	2.7
131.08588	3.3
133.06453	13.5
133.10114	54.0
135.08032	4.0
135.11670	5.0
137.05946	7.8
137.09608	37.0
137.13254	3.6
139.11162	75.9
143.08557	2.4
145.10092	6.5
147.08060	5.2
147.11684	36.2
147.42682	2.2
149.09637	15.9
151.07521	14.2
151.11172	7.6
156.09337	7.2
159.08026	3.6
159.11676	4.1
161.09601	8.2
161.13229	14.9
163.11188	11.9
165.12738	16.9
167.10680	19.8
169.08563	4.0
171.11639	14.8
174.10449	10.3
177.12761	2.9
179.10732	3.0
179.14310	4.4
183.13794	33.7
189.12709	36.7
193.64647	2.1
207.13792	52.2
225.14828	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	225.1483
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.10411	1.3
53.97298	1.3
55.01857	1.6
55.05494	3.8
55.89531	1.3
59.05001	1.9
67.05481	5.1
68.62022	1.2
69.03403	5.9
69.07047	4.7
69.47013	1.3
69.71899	9.0
71.04976	5.7
77.90279	1.1
79.05478	6.1
81.07040	8.9
83.04984	8.8
85.06509	4.5
91.05489	6.6
92.15475	1.3
93.07029	11.1
95.04962	2.3
95.08054	1.6
95.08600	22.4
95.64054	1.4
97.06518	3.2
99.04445	3.3
105.07019	24.1
107.04941	1.7
107.08597	17.9
109.06528	8.8
109.10142	5.8
111.04414	1.4
111.08108	2.5
113.68346	1.5
119.04922	2.8
119.08556	19.9
120.91844	1.4
121.06474	2.7
121.10137	18.7
123.08059	50.8
123.11717	8.1
130.42924	1.3
131.08556	5.4
133.06458	5.8
133.10123	7.1
135.08034	2.3
135.11642	2.2
137.05975	1.6
137.09581	4.5
141.09091	1.3
143.08536	3.8
143.84264	1.6
145.10068	5.4
147.08084	6.2
147.11694	13.4
149.09612	59.9
149.49017	1.3
151.07518	25.0
151.11171	5.5
156.09389	6.5
157.33978	1.3
159.08057	1.6
159.11722	1.5
160.08853	1.3
161.09586	3.9
161.13243	22.9
165.12723	12.7
171.11664	11.6
174.10384	5.9
177.00745	1.6
179.14297	6.0
189.12733	86.4
207.13785	100.0
207.35065	1.2
208.14252	1.7
225.14844	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	225.1483
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
52.14707	2.8
53.03946	5.9
55.01883	3.5
55.05511	18.9
57.07063	3.0
59.04999	22.9
61.32858	2.8
65.03890	2.6
67.05494	22.3
69.03425	13.9
69.07053	10.4
69.35107	6.7
69.35507	29.3
71.04978	6.6
79.05471	22.8
81.07049	23.5
83.04963	14.0
85.02908	7.9
88.15088	3.3
91.05470	27.1
91.31315	2.7
93.07037	32.0
95.04968	13.2
95.08598	25.6
97.06509	3.4
99.04458	7.8
101.06019	4.9
103.05506	3.5
105.07031	66.4
105.07746	3.3
107.04971	8.6
107.08584	95.2
108.05748	3.8
109.06493	29.8
109.10163	24.1
111.08070	7.3
117.07029	4.4
119.04945	3.4
119.08571	45.6
119.71348	2.9
121.06517	13.0
121.10127	27.5
122.07294	4.8
123.08067	86.1
123.11701	11.4
125.05966	8.5
131.08606	4.5
133.06511	8.1
133.10103	15.4
135.08038	33.2
135.11688	39.6
137.06029	2.9
137.09598	100.0
143.08586	3.8
145.10132	8.1
147.08083	9.0
147.11697	29.1
149.09610	19.2
151.07542	16.9
151.11131	7.6
153.09132	19.7
156.09328	6.3
159.11707	4.4
161.03004	4.7
161.09663	4.6
161.13274	35.9
162.06775	3.8
163.11223	8.3
165.09096	4.6
165.12791	6.4
166.54935	2.7
167.07013	5.5
171.11722	11.1
174.10313	3.4
177.12762	5.3
179.14307	5.0
183.06520	9.0
187.65132	2.8
189.12729	15.3
193.08617	4.3
207.06419	5.7
207.13773	16.2
221.93338	3.7
225.11201	7.2
225.14870	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	225.1484
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.05514	6.4
56.19481	1.3
57.07068	5.4
59.04994	5.2
67.05508	23.1
69.03425	1.9
69.07056	1.9
69.99272	2.2
69.99670	3.7
71.04974	2.1
74.94719	1.1
79.05486	2.8
81.07053	12.1
82.10480	1.2
83.04985	2.9
84.73743	1.2
85.02905	47.7
85.06545	9.8
89.11822	1.3
91.05473	4.0
93.07060	8.8
95.04955	2.8
95.08608	100.0
97.06521	1.9
97.10173	3.9
101.06001	2.3
105.07017	6.6
107.08593	7.6
109.06510	4.9
109.10168	6.8
111.04443	1.5
111.08113	1.6
113.06017	8.8
113.80965	1.4
119.01888	1.2
119.08576	12.8
121.06520	2.5
121.10149	8.2
123.08063	35.8
123.11709	38.4
125.06016	2.4
131.08583	2.5
133.10123	2.8
135.11700	11.5
137.09628	2.5
141.09120	4.4
142.22484	1.1
143.01913	1.9
147.11691	5.6
149.09631	20.3
149.84816	1.2
151.07561	2.5
151.14818	2.2
161.02960	2.6
161.13283	7.6
161.14490	1.4
163.11185	3.4
165.12758	5.0
171.11653	1.5
179.14340	3.5
187.02884	1.2
189.12697	7.4
195.37012	1.2
207.06497	1.2
207.13794	23.1
225.14807	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1482
Annotation	Annuionone A
Peak:m/z	Relative Intensity
55.05511	4.8
57.03379	0.9
57.07071	1.3
58.78012	0.7
67.05495	2.8
69.03421	1.5
69.07062	1.4
69.37702	7.4
71.04988	36.8
79.05499	2.2
81.03397	2.0
81.07056	7.4
81.61655	0.6
83.05001	3.4
83.08610	5.8
85.02884	3.9
85.06544	0.8
91.05472	3.1
93.07039	2.7
95.04976	1.2
95.08595	8.5
97.06536	1.5
98.97571	1.0
99.04448	100.0
100.04771	0.8
105.07001	5.9
107.04942	1.0
107.08584	33.0
109.06510	21.9
109.10159	2.8
111.04435	1.1
111.08086	0.8
113.08906	0.8
113.09646	4.3
116.98646	1.0
119.04948	0.9
119.08588	4.6
121.10135	11.8
121.21181	0.6
123.08061	19.3
123.11697	10.6
125.09634	9.0
131.08559	1.9
133.06477	2.3
133.10133	1.5
137.05943	0.8
137.09610	2.1
137.13245	1.0
139.11177	2.4
141.12726	2.1
147.11670	6.4
149.09615	13.7
151.07532	1.9
161.13220	1.7
163.11281	0.9
165.12720	10.8
167.10664	28.3
171.11635	1.1
177.00684	1.0
181.12328	0.8
183.06549	1.2
183.13792	31.0
189.12788	3.4
207.06517	1.5
207.13808	5.5
216.28981	0.8
225.12598	1.4
225.14813	19.2
229.70003	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.21436	1.3
54.02102	1.4
55.05495	5.6
57.03417	3.3
57.07056	2.2
66.45822	1.5
67.05505	8.6
69.03426	4.9
69.07056	6.4
70.66480	3.4
70.66879	1.9
70.91062	1.5
71.04985	9.7
72.04466	1.3
79.05495	6.3
81.07041	9.8
83.01348	3.2
83.04978	15.4
83.08610	2.2
85.02886	1.5
85.06528	3.8
91.05474	7.5
93.07035	8.2
95.04934	2.9
95.08600	23.5
97.06513	3.8
99.04443	3.4
99.08093	2.4
105.07024	14.8
107.08597	13.9
109.06503	8.2
109.10143	16.7
111.08102	1.6
113.06003	3.4
113.09633	5.4
117.06995	2.4
119.08574	17.9
120.12348	1.2
121.06524	3.2
121.10137	23.8
123.08057	19.5
123.11695	5.9
125.05992	8.9
125.09634	5.3
129.06941	1.4
133.06485	3.0
133.10164	6.7
135.08034	8.4
135.11682	5.5
137.05960	3.6
137.09604	44.9
137.13252	7.6
139.11169	3.5
140.63290	1.5
141.09090	1.4
143.08542	1.8
145.10136	2.7
147.08073	5.0
147.11688	7.5
149.09607	36.2
151.07545	20.4
151.11185	5.5
151.14766	2.3
153.09137	4.3
155.10686	3.0
156.09294	2.7
159.08017	1.8
159.11699	1.5
161.13245	17.6
163.11162	4.3
165.09102	100.0
165.12752	33.6
167.10664	30.7
169.08575	4.1
171.11703	6.8
174.10349	4.0
179.14261	11.3
181.12248	4.1
183.13774	1.3
184.44151	1.3
189.12727	27.6
190.25415	1.3
190.43391	1.7
207.13777	44.3
210.12401	1.5
225.14845	28.1
231.98424	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1482
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
50.91310	2.0
55.05493	4.8
57.07073	5.7
59.04996	8.6
67.05499	21.8
69.07059	2.3
71.04999	3.4
71.20763	3.8
71.98006	1.9
78.87758	1.9
81.07048	11.5
83.04964	4.3
85.02894	43.7
85.06525	9.3
87.48722	1.8
91.05479	6.5
93.07037	7.1
95.04965	2.3
95.08598	100.0
97.10172	4.8
99.04497	2.3
105.07048	6.8
107.08594	9.0
109.06526	5.0
109.10166	8.7
111.08026	2.5
113.05995	8.1
119.04954	4.6
119.08549	10.3
121.10165	11.4
123.08071	37.9
123.11697	42.9
125.05967	3.8
128.31111	2.0
131.08513	1.8
133.10190	2.4
135.11699	13.4
137.09624	3.4
141.09106	5.8
145.10196	2.0
147.04350	2.8
147.11722	7.2
149.09576	24.9
151.07483	2.6
151.14825	3.6
154.90204	1.9
161.02931	4.5
161.13237	9.0
163.11131	3.1
165.09119	1.9
165.12740	7.2
169.08649	2.2
175.03851	5.2
179.14270	2.9
189.12732	8.9
192.04163	2.0
207.06516	8.6
207.13776	28.4
225.03899	2.7
225.14876	8.7
247.98528	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.01860	2.9
55.05513	14.1
56.96547	4.1
57.03426	2.8
57.07067	6.5
58.30153	2.1
59.04987	3.1
67.05127	2.3
67.05498	36.5
69.03416	7.0
69.07069	11.9
70.49219	7.9
71.04984	7.1
71.08628	2.2
79.05477	9.5
81.03432	2.6
81.07048	46.4
83.04991	12.9
83.08607	4.5
85.02882	11.8
85.06573	2.7
91.05460	17.0
93.07038	12.4
95.04966	12.3
95.08593	22.2
95.22667	2.2
97.06517	7.1
97.10175	2.7
99.04453	15.8
99.08051	3.7
105.03391	2.7
105.07029	22.6
107.04929	3.6
107.08600	24.4
109.06505	19.7
109.10152	100.0
111.08064	3.4
116.98608	3.5
117.07008	2.1
119.01926	2.5
119.04913	5.2
119.08597	16.0
121.06519	3.0
121.10119	15.4
122.03648	2.9
123.04401	4.9
123.08051	21.5
123.11697	44.8
125.05984	5.9
131.08562	4.9
133.06438	3.4
133.10143	16.3
135.11635	3.0
137.05923	7.2
137.09599	9.2
140.04631	4.4
143.01894	4.1
145.10107	4.6
147.04405	3.5
147.08006	3.2
147.11691	16.1
149.09576	12.9
151.07520	7.4
151.11185	34.1
155.07018	3.5
159.11653	2.9
161.02986	5.1
161.09644	4.2
161.13252	16.1
163.11136	3.3
164.03644	2.2
165.05481	3.9
165.09097	7.2
165.12776	8.0
167.07085	3.1
167.10635	5.5
168.04173	4.1
171.11723	5.0
175.03935	5.2
179.14317	7.0
183.06517	59.7
183.13782	4.6
189.12712	17.3
190.02132	2.3
192.02933	2.1
207.06541	8.2
207.13744	27.1
208.03510	2.2
225.07370	3.9
225.12761	4.1
225.14639	14.4
225.18269	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41785	16.3
82.99877	2.5
101.00864	14.3
106.81303	1.7
108.97266	1.8
111.53595	1.9
119.01917	100.0
120.02022	4.6
124.02424	3.3
137.02948	46.1
142.03496	60.6
143.03568	3.2
160.04553	25.9
161.02957	11.7
165.04970	2.5
172.48567	2.0
177.00970	22.9
179.03992	29.5
181.48923	2.1
184.04547	3.7
187.99287	7.6
188.49387	2.4
190.49562	6.5
199.50066	56.1
200.00142	17.3
200.50037	5.5
202.00362	5.7
202.05565	2.9
208.50664	3.1
211.00859	19.4
211.50977	4.3
219.01941	13.6
220.02065	4.2
238.95605	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	224.1279
Annotation	Maokonine
Peak:m/z	Relative Intensity
51.05523	1.0
55.01865	1.5
55.05492	1.3
55.25711	1.0
56.05022	1.7
56.96547	4.2
58.06582	3.1
59.06080	1.1
64.76379	1.0
67.05463	1.3
68.05008	1.6
69.03429	1.8
70.06564	1.8
71.60409	1.3
79.05482	5.8
81.07052	2.4
83.04971	1.3
83.06100	1.6
85.02873	2.1
87.32848	1.1
91.05468	10.8
93.07022	2.3
94.06546	1.6
95.04942	3.8
95.08627	1.4
97.02875	1.6
97.06514	1.5
98.37769	1.1
98.97544	2.2
99.04424	1.8
103.05456	12.4
105.07020	37.6
107.04937	6.2
107.08553	2.3
109.06493	2.1
109.07575	2.0
111.09220	1.4
115.05445	1.2
116.98575	4.0
117.07011	2.1
118.06538	14.6
119.01826	1.3
119.04939	1.5
119.07294	2.3
120.08100	20.3
120.08932	2.2
121.06492	1.3
121.10134	1.6
123.04407	2.5
125.06026	1.3
128.06265	5.2
130.06483	3.1
131.04921	3.1
131.07326	2.4
131.08568	2.9
132.08057	2.6
133.10080	1.1
134.99625	3.8
135.08063	1.6
139.03893	1.6
143.08539	3.5
147.04381	3.1
148.42427	1.2
150.02629	1.7
151.03928	1.1
158.99626	1.8
160.11208	100.0
161.11540	1.8
163.11110	1.3
164.11545	1.2
175.03802	1.6
177.00684	2.5
178.12259	81.6
179.12715	1.2
183.06479	4.1
192.04031	1.3
201.00673	1.6
206.11755	14.7
207.06500	3.5
216.64102	1.1
224.06448	2.3
224.12807	47.0
225.04250	1.5
225.07538	3.5
226.04318	5.1
228.02330	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.169
Annotation	Rumphellolide F
Peak:m/z	Relative Intensity
53.03990	3.6
55.01905	0.9
55.05554	7.4
56.05077	0.9
57.03477	0.8
57.07068	3.9
59.05016	1.4
65.03986	0.7
67.05496	12.0
69.03472	2.1
69.06709	0.7
69.07056	13.7
69.59540	0.6
69.84399	3.3
69.84820	1.4
71.05007	3.2
71.08683	0.6
78.04751	0.9
79.05480	9.1
81.03467	2.5
81.07046	27.1
83.05038	2.6
83.08603	8.6
85.06582	2.3
91.05439	4.4
93.07026	19.6
94.55048	0.7
95.05013	2.6
95.08595	62.5
97.06529	4.7
97.10162	4.1
99.08137	2.4
105.03414	0.9
105.07030	7.9
106.04218	1.7
107.04996	2.4
107.08581	35.5
109.06510	6.5
109.10138	15.4
111.08060	4.4
117.07027	2.6
119.08566	11.6
119.09315	0.7
121.06482	3.2
121.10126	34.2
123.08052	32.3
123.11742	2.5
125.09570	1.1
126.01021	3.4
130.07822	0.9
131.08557	7.1
133.10115	5.2
134.03667	1.3
134.99718	1.0
135.04453	1.0
135.08044	4.7
135.11665	11.4
135.12523	0.7
137.09648	2.8
137.13234	7.2
139.07588	0.9
139.11232	0.7
143.08566	1.0
145.10100	19.4
147.11652	9.1
147.12593	0.8
149.02333	6.0
149.09576	6.4
149.10512	0.6
149.13235	9.7
151.11145	0.8
157.10194	1.2
159.11632	8.1
161.13237	6.1
162.03113	10.7
162.10344	0.7
163.03917	1.8
163.11176	6.3
163.14807	5.9
165.09164	0.8
167.07066	1.1
167.10706	1.1
172.12474	1.4
177.12859	1.8
177.16364	47.3
179.03296	0.9
181.12212	1.0
187.14793	34.2
190.02591	11.2
205.12103	2.3
205.15852	100.0
206.16150	1.2
208.03667	5.8
223.05965	38.5
223.11147	2.0
223.13257	3.0
223.16891	20.5
223.20473	2.0
224.06438	1.5
225.04149	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1326
Annotation	Annuionone B
Peak:m/z	Relative Intensity
52.56858	1.7
53.03933	2.6
53.04175	1.8
55.01861	3.6
55.05508	13.7
56.96551	3.8
59.04985	8.2
61.02904	7.0
67.05492	9.6
69.03421	14.7
69.07050	5.6
70.98100	2.2
71.04972	5.8
71.41243	3.4
73.02905	2.5
79.05485	14.2
81.03441	4.4
81.07030	8.0
83.01331	2.8
83.04971	19.6
85.02909	20.1
85.06515	3.0
91.05466	16.9
93.07042	33.0
95.04946	14.3
95.08595	12.4
97.02862	3.8
97.06501	5.3
97.10157	7.5
98.97577	13.8
99.04421	2.7
105.07034	18.7
107.04926	6.2
107.08600	24.9
109.06512	24.1
109.10145	7.8
111.04427	4.0
111.08046	6.9
113.05984	9.4
116.98610	9.7
117.06978	5.2
119.08569	18.6
121.05650	3.6
121.06493	56.2
121.10127	16.4
122.07195	2.0
123.04476	3.1
123.08085	14.8
125.05969	3.6
125.09615	5.1
128.98596	2.4
130.07793	2.2
131.08549	4.6
131.63104	1.9
133.09203	1.9
133.10115	12.7
134.99609	3.7
135.04420	3.4
135.08044	24.4
135.11644	11.6
137.09610	16.1
139.07516	7.2
143.08536	2.8
144.09306	2.8
145.10118	15.1
146.99622	3.4
147.08032	8.3
149.02327	6.2
149.05928	5.5
149.09604	73.3
149.13333	2.6
151.11179	6.6
153.09085	7.0
158.99670	3.3
159.11688	20.7
161.09607	18.7
162.03113	5.2
162.10461	1.9
163.07465	2.0
163.11163	36.3
165.09096	30.8
167.06989	6.2
172.08803	3.3
175.11150	3.0
177.00662	7.5
177.12729	32.2
179.10664	19.8
181.06177	4.3
181.12239	2.6
187.11150	15.5
190.02551	3.8
193.06386	2.5
195.13684	3.5
202.06784	6.3
205.12219	49.9
208.03752	2.0
211.07263	12.1
222.57930	2.3
223.02544	3.2
223.06018	26.0
223.13260	100.0
224.95898	2.0
225.04266	3.1
227.05928	3.2
241.07591	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1327
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03941	5.1
55.01857	7.5
55.05506	13.3
56.96559	8.0
57.03422	3.5
57.07069	5.4
59.04993	9.0
65.03928	2.6
67.05496	18.1
69.03432	12.9
69.07055	10.5
71.04991	4.6
71.59475	2.9
72.08155	2.0
73.02917	4.4
79.05477	14.9
80.00365	1.8
81.03416	4.8
81.07047	13.8
83.04977	28.0
83.08616	5.2
84.08118	2.0
85.02896	6.1
85.06546	3.4
91.05473	46.0
93.07037	96.6
95.04963	31.5
95.08597	15.4
97.02908	4.7
97.06520	9.1
98.97576	16.8
99.04425	3.6
101.06039	2.7
103.05474	6.3
105.03416	2.2
105.07037	24.8
107.04942	10.1
107.08591	30.3
109.06515	15.5
109.07632	2.0
109.10166	6.9
111.04433	2.3
111.08035	10.1
113.06005	4.6
114.64983	1.6
115.05434	3.3
116.01464	1.8
116.98606	16.8
117.07009	13.3
119.04955	2.7
119.08572	17.5
121.02952	2.0
121.06499	100.0
121.08380	4.5
121.10148	26.7
123.04472	1.9
123.08076	8.1
123.11671	4.2
125.05972	3.2
125.09633	5.3
127.07536	8.0
128.02303	3.2
128.06244	2.0
129.07013	7.2
130.06546	7.4
130.07756	3.5
131.04898	4.0
131.06874	28.6
131.08501	14.5
131.59332	1.7
132.04489	2.8
132.26881	1.7
133.04800	5.0
133.06471	3.3
133.10130	18.0
134.99663	8.9
135.04428	5.4
135.08066	12.1
135.11688	11.3
137.05968	3.4
137.09576	8.5
139.07535	14.6
139.11185	2.8
142.07777	3.2
144.09352	5.9
144.88972	1.8
145.06448	4.3
145.10112	14.7
147.04416	2.6
147.08096	6.1
147.11670	3.7
149.02325	21.1
149.05966	4.9
149.07924	6.8
149.09607	54.7
149.13318	3.6
153.09105	12.4
157.08847	2.7
157.10083	11.5
158.99670	7.1
159.06357	9.5
159.08057	3.3
159.11682	24.1
161.09641	5.5
161.13292	1.9
162.03181	5.1
163.03928	5.8
163.07503	3.7
163.11188	17.4
164.08171	1.8
165.06984	4.4
165.09137	5.5
167.06995	10.0
167.08246	1.6
167.10715	2.6
172.08841	6.0
175.07474	1.9
175.11188	18.5
176.07031	2.1
176.79359	2.0
177.00710	16.8
177.05583	4.2
177.07422	32.2
177.08952	2.6
177.12672	15.0
179.08427	2.2
179.10643	6.3
180.09360	4.3
181.12289	3.8
187.11186	18.5
190.02634	4.5
191.05490	2.4
191.07140	2.4
193.10046	1.7
193.12189	2.5
195.06487	10.0
195.08125	3.5
195.11725	4.0
202.06790	2.1
205.05072	1.7
205.08321	3.0
205.12198	33.2
208.03711	5.5
208.08891	3.3
214.08551	6.5
223.02466	3.2
223.05946	25.9
223.09517	4.6
223.11189	14.8
223.13319	54.6
223.16917	8.5
225.04298	16.0
227.02200	6.8
234.59879	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87887	0.2
54.11809	0.3
55.01867	0.3
55.05511	0.4
56.96550	0.6
57.07056	0.6
67.05480	0.5
69.03410	0.9
69.07040	0.3
70.02321	1.1
71.04977	0.2
73.02897	0.4
75.68608	0.2
77.03545	0.2
79.05474	0.8
81.03375	0.6
81.07034	0.7
83.04971	1.1
85.02907	0.5
91.05453	0.8
93.07030	0.9
95.04966	0.9
95.08589	0.8
97.02874	0.5
97.06535	0.5
98.97581	0.7
103.05492	0.3
104.05747	0.3
105.07030	0.5
107.04936	0.7
107.08578	0.6
109.02906	0.3
109.06513	0.4
109.10134	0.3
111.08058	0.6
115.05416	0.3
116.98604	0.4
117.06998	0.3
118.23085	0.2
119.08560	0.5
120.08092	0.8
121.02872	0.4
121.06478	0.7
121.10139	0.8
123.08060	0.4
123.11733	0.4
125.05973	0.2
125.09628	0.3
129.06972	0.4
131.04945	0.3
131.06856	0.3
131.08528	0.4
132.05283	0.6
133.10117	0.4
134.99699	0.3
135.04408	0.5
135.08012	0.4
135.11650	0.7
137.05937	0.2
137.09575	0.4
139.03882	0.5
139.07524	0.4
141.07002	1.0
142.07741	0.4
145.06490	0.3
145.10181	0.2
147.08017	0.3
149.02325	3.6
149.05933	0.4
149.09607	0.3
151.03992	0.2
152.06201	2.1
153.01776	0.5
153.06987	2.7
154.06476	0.3
154.07747	0.7
155.08571	2.1
155.10396	0.3
158.14148	0.2
159.08101	0.2
159.11688	0.5
163.03920	0.5
163.07463	0.3
163.11198	1.3
163.14664	0.3
164.08115	0.3
165.06992	34.2
166.07788	3.3
167.07071	0.8
167.08545	4.3
167.10663	0.2
169.10103	0.5
177.00655	0.5
177.05428	0.6
177.07341	0.4
177.12770	0.5
178.07732	2.1
179.08539	10.4
180.09326	20.6
181.06470	0.8
181.10025	1.5
181.12247	0.4
182.07286	0.3
183.08058	0.2
189.06989	1.5
190.02682	0.3
190.07785	3.2
191.03258	0.3
191.08540	1.4
192.62015	0.2
193.06485	0.7
193.10094	2.3
194.07231	0.4
194.10921	1.0
195.06546	0.4
195.08096	1.4
195.11684	15.0
203.08606	0.4
204.09290	0.4
205.08249	0.3
205.10117	4.6
205.12225	0.8
206.10915	0.5
207.08044	5.4
208.08821	28.0
208.12317	0.7
209.09421	0.9
221.09575	0.5
222.10368	0.4
223.06558	2.0
223.11174	100.0
223.16974	1.5
224.11569	2.1
225.04308	3.8
226.97545	0.2
227.02119	1.3
227.39594	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.06
Annotation	K 251-1
Peak:m/z	Relative Intensity
55.12152	0.2
60.35777	0.2
66.67111	0.2
69.07050	0.2
70.71999	0.7
78.04710	4.6
79.05495	0.9
81.07048	0.4
82.04209	0.5
83.04945	0.2
85.02862	0.3
87.91775	0.2
91.05473	0.3
93.07056	0.3
95.04969	0.4
96.02086	0.2
97.06531	0.2
105.03439	0.2
105.07008	0.2
106.04172	4.6
107.04955	4.5
107.08563	0.3
109.06533	0.5
110.03639	0.5
121.02835	0.2
121.10128	0.3
125.06007	0.3
132.74110	0.3
133.02840	0.3
134.03624	4.8
135.04408	2.0
135.11676	0.3
137.09697	0.2
139.00270	0.3
145.04028	0.2
149.02344	0.6
157.01350	0.6
157.49693	0.2
161.02351	0.4
162.03119	38.7
163.03894	3.2
165.01833	0.8
166.02605	0.2
167.07030	0.5
173.08276	0.3
177.05479	0.4
179.03381	4.2
180.04170	0.9
190.02603	35.6
191.03114	0.8
193.01338	0.7
195.06563	0.7
205.01326	0.3
205.12202	0.3
207.02884	2.6
208.03661	17.5
209.03975	0.4
223.06000	100.0
224.06380	1.8
225.04181	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.06
Annotation	K 251-1
Peak:m/z	Relative Intensity
50.75212	0.4
51.39949	0.3
53.03929	0.4
55.05492	0.5
67.05486	0.6
68.99789	0.4
69.03413	1.1
69.07066	0.6
69.48495	2.8
71.04967	0.5
78.04703	1.9
79.05496	2.8
81.03405	0.7
81.07052	0.6
82.67439	0.4
83.04969	0.8
85.01655	0.3
88.43382	0.3
91.05502	1.8
91.45937	0.3
93.07034	1.5
95.04962	1.5
95.08577	0.9
97.02879	1.0
97.06578	0.4
98.82265	0.4
105.03378	0.9
105.07019	0.9
106.04161	1.3
107.04950	16.2
107.08580	1.2
109.02892	0.7
109.06486	0.7
109.10145	0.4
111.04393	0.4
111.08081	0.8
111.95113	0.4
119.08556	1.0
121.02898	0.4
121.06536	1.0
121.10110	0.9
123.04402	0.9
123.08067	0.8
125.06045	0.7
129.65753	0.4
133.02815	0.6
133.10080	0.4
134.03651	3.4
135.04413	8.5
135.08049	0.8
135.11688	2.5
137.02277	0.5
137.05916	0.8
137.09612	0.8
139.07558	1.8
142.58264	0.3
145.03941	0.7
149.02348	2.2
149.05974	0.5
150.03140	0.6
151.03859	0.6
152.04704	1.5
153.05457	1.5
153.09119	0.3
159.11682	1.0
161.02328	0.6
161.13347	0.4
162.03120	17.8
163.02547	0.5
163.03900	8.6
163.11162	1.5
164.04688	0.4
165.01874	0.7
165.09094	0.8
167.07030	6.9
177.12685	0.7
178.02635	0.4
179.03384	4.3
179.07025	0.4
180.04146	1.9
181.04921	2.0
181.12296	0.7
187.11191	0.5
190.02608	19.8
191.03235	1.1
193.01378	1.8
194.02135	1.1
195.06523	19.1
205.12225	1.5
207.02896	8.6
208.03671	14.6
208.05646	0.7
223.06000	100.0
223.13124	2.2
223.16916	0.9
224.06343	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.06
Annotation	K 251-1
Peak:m/z	Relative Intensity
64.35493	0.6
64.60042	0.5
69.92200	1.5
69.92599	1.0
75.40292	0.5
78.04694	3.9
79.05491	0.9
81.06206	0.5
89.13361	0.5
92.73188	0.6
106.04168	4.4
107.04970	3.0
110.03664	1.1
134.03622	4.3
135.04427	1.4
149.02348	0.7
157.01227	0.5
162.03131	33.2
163.03909	4.2
165.01862	0.9
179.03397	3.8
190.02608	35.2
191.03293	0.6
196.87642	0.5
207.02872	2.8
208.03651	17.5
223.06004	100.0
224.06339	1.9
227.73486	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
55.01871	1.6
55.05509	2.2
56.05026	2.5
56.96558	5.1
57.03424	1.5
57.07053	0.6
59.05007	0.6
60.04520	100.0
61.02915	0.6
61.04831	0.5
62.20858	0.4
63.87208	0.4
65.03947	0.4
66.50247	0.5
67.05502	6.2
69.03426	2.4
69.07057	1.0
70.06586	1.3
71.01360	0.7
71.04984	4.3
71.60284	0.8
72.04506	1.1
73.02921	1.1
74.06082	1.5
78.43022	0.5
79.01864	0.7
79.05482	3.7
80.05032	1.6
81.03412	2.3
81.07044	7.4
82.06574	7.6
83.04975	1.7
84.04510	0.9
85.02888	2.6
85.06548	1.9
86.06068	0.6
88.03971	0.6
91.05455	3.7
93.03429	0.9
93.07046	3.3
94.06558	4.6
95.04959	4.8
95.08612	0.8
97.02905	2.8
97.06535	1.0
98.97556	2.5
99.04459	3.6
101.06058	0.7
102.39059	0.5
103.05465	8.7
104.38366	0.5
105.07024	0.7
107.04963	1.3
107.08569	0.7
108.08124	3.7
109.02895	1.0
109.06511	3.9
109.07597	0.5
110.06054	2.1
110.09705	0.5
111.02081	1.2
111.04436	1.5
111.08096	1.7
112.07613	1.1
113.02370	0.5
113.06004	2.1
115.03987	0.5
116.98622	2.7
117.05460	0.5
118.06549	0.7
119.01873	1.0
119.04961	1.6
120.08144	0.9
120.97908	0.5
121.06505	0.9
123.04424	1.0
124.07604	3.6
125.06005	1.1
126.09171	1.8
127.03935	0.8
128.98650	0.6
129.05472	0.8
130.06551	2.6
131.04916	20.6
131.07037	1.6
133.06425	0.9
134.99634	2.3
136.07587	6.4
137.05968	12.6
138.99037	0.5
139.03960	0.8
142.08594	0.7
143.00218	1.0
143.03384	1.2
146.99651	1.0
147.04416	1.7
148.07587	1.0
149.02348	1.1
149.06035	1.1
151.07549	0.8
153.00639	0.5
153.01804	7.7
153.02933	0.8
154.02168	0.7
154.08598	7.0
155.07057	1.9
156.02592	0.9
156.10194	3.7
156.97449	2.5
157.04391	0.7
158.06041	0.8
158.08020	0.6
159.06398	0.7
160.09717	0.9
161.01250	1.6
161.08237	1.2
163.07513	12.8
163.08755	0.9
163.11226	0.8
165.03067	0.7
166.04776	0.6
167.07095	0.9
168.10240	1.4
169.08653	1.6
172.09663	11.3
174.11317	0.6
174.98506	6.9
174.99730	0.6
175.98639	0.6
176.07095	3.7
176.09079	0.9
177.00758	1.3
177.05507	0.6
177.10216	1.0
180.10225	1.5
185.01201	0.6
186.11234	4.8
189.00742	0.6
189.07840	1.2
190.08742	1.1
190.10780	5.6
198.98514	1.2
201.00792	0.9
204.08702	1.0
204.10349	0.5
204.12283	15.3
205.09663	0.9
207.08978	2.3
207.13860	0.6
208.03656	0.6
216.99583	3.1
222.03903	0.6
222.07710	1.9
222.09651	0.8
222.11299	20.2
222.13438	23.9
223.06105	2.2
223.10966	2.4
223.13339	0.5
225.04213	2.6
227.02303	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.4
54.91835	0.3
55.05259	0.5
55.05506	7.5
56.96546	0.9
58.05165	0.3
58.99563	0.5
59.06098	0.4
65.03941	0.4
67.05504	0.4
69.03416	0.5
71.60023	0.5
72.92735	0.3
74.06068	0.4
83.08614	13.0
83.15028	0.3
84.04480	0.4
85.02881	0.7
85.07623	0.3
86.99039	0.6
91.05473	0.7
93.07038	1.0
95.04951	0.7
95.08623	0.5
97.02876	1.1
98.97572	0.9
101.09653	2.6
103.05450	1.5
104.04963	0.4
105.00075	1.0
105.07052	0.5
107.04974	0.5
109.07617	0.4
110.06036	0.4
115.05437	0.6
116.98637	1.1
118.06539	1.1
119.08601	0.4
120.08097	10.8
120.08943	0.7
123.04467	0.5
130.06516	95.2
131.04918	2.0
131.06841	1.4
132.04443	14.9
134.99628	1.1
137.05925	0.7
139.03874	1.5
146.05983	0.9
147.04393	0.7
148.07561	29.8
149.02315	1.0
149.08044	0.4
151.03923	0.3
158.06004	31.0
158.99608	0.5
159.06451	0.7
161.01263	0.4
163.07539	0.8
165.05458	0.5
167.07053	0.6
176.07057	100.0
177.00731	0.4
177.05383	0.4
177.07469	1.8
180.02866	0.6
183.06487	0.4
190.08734	0.5
195.06544	0.8
204.06598	1.2
205.07181	0.5
205.08920	2.5
222.04227	0.7
222.07620	11.3
222.11168	3.8
222.15025	0.4
223.05983	1.9
223.07823	0.5
225.04298	1.0
231.05025	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0759
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
57.07061	0.3
58.11331	0.3
69.46606	0.3
79.05471	0.3
91.05491	0.4
98.21513	0.6
98.97580	0.3
103.05468	0.6
118.06534	0.5
120.08099	11.0
130.06519	94.4
131.06865	0.8
132.04436	15.4
146.05992	0.7
148.07562	27.2
158.06003	30.9
159.06366	0.4
162.05396	0.4
176.07057	100.0
177.07535	0.7
178.09448	1.0
204.06429	2.3
222.07616	8.9
222.11194	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42009	0.4
54.29477	0.5
54.46416	0.5
55.05508	0.7
56.96549	1.2
57.03413	0.5
59.06095	0.7
59.33276	0.4
61.02933	0.6
65.24303	0.5
65.42523	0.5
67.05505	0.5
69.03427	1.0
69.07098	0.5
71.59997	0.9
75.54006	0.5
79.05482	1.1
81.03412	0.8
81.07041	0.5
83.04959	0.6
85.02907	1.0
91.05489	0.9
93.07011	0.6
95.04987	0.6
97.02887	1.1
98.97567	1.5
103.05452	0.6
103.28036	0.6
105.07022	0.6
107.04945	0.6
109.06585	0.5
112.13905	0.5
116.98602	2.1
120.08113	11.5
121.06538	0.5
130.06520	99.5
131.06856	1.7
132.04451	17.5
132.35565	0.5
133.10072	0.7
134.99675	0.8
146.05917	0.6
147.04382	0.7
148.07567	32.7
149.02286	0.7
158.06004	31.8
159.06233	0.6
162.05453	0.6
163.03819	0.9
167.07037	0.5
176.07060	100.0
177.00697	1.1
177.07393	1.5
177.08965	0.7
178.09473	0.6
204.06552	2.6
204.10226	0.6
211.07304	0.5
222.07623	11.4
222.11203	1.9
223.06029	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65010	0.2
60.33116	0.1
65.73163	0.2
70.46096	0.7
71.67175	0.2
90.09568	0.2
101.00882	0.6
102.94344	0.2
108.88125	0.2
109.53105	0.2
110.71535	0.2
119.01908	2.8
120.95318	1.0
127.70132	0.2
137.02959	0.9
138.96362	3.6
142.03464	0.2
155.02853	0.2
156.97466	67.4
157.97580	1.0
174.98521	100.0
175.98589	1.7
176.98947	0.7
179.99051	3.4
180.97391	1.4
180.98991	0.3
198.00121	3.5
198.98515	23.0
199.98668	0.3
216.99573	65.5
217.99666	1.2
218.99968	0.3
222.00076	1.1
228.56174	0.2
240.01163	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03933	1.2
55.05507	6.3
57.07071	1.5
63.28409	1.0
66.00356	1.0
67.05493	6.5
68.72607	1.1
69.06771	1.2
69.07066	12.1
70.85332	2.2
70.85671	1.3
71.04988	29.1
79.05492	14.1
81.07053	100.0
83.08601	1.8
83.32852	1.1
91.05474	11.5
93.07040	35.2
93.41104	1.1
95.04980	2.2
95.08039	2.1
95.08603	22.6
97.06528	2.5
97.10158	1.2
98.97591	1.6
99.08086	4.2
105.07027	40.3
107.08587	41.8
109.06563	1.3
109.10146	24.1
111.08071	2.0
111.11705	2.4
112.60832	1.2
113.09644	2.0
117.07017	2.8
119.08575	74.3
121.10138	8.9
123.11700	11.6
127.11182	12.0
133.10124	20.4
135.11685	78.9
145.10103	1.9
147.10532	1.5
147.11673	23.0
149.13281	9.4
150.68999	1.1
161.13210	8.0
163.14812	3.9
173.22568	1.3
175.14816	4.3
203.17949	39.7
221.11688	1.6
221.15390	3.5
221.19012	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.17382	1.7
55.05511	7.5
57.07069	4.2
67.05489	7.0
68.93760	1.7
69.07069	13.0
70.79808	3.2
70.80202	4.5
71.04641	2.1
71.04992	22.9
77.56943	1.3
79.05489	15.2
79.12864	1.5
81.07056	100.0
83.08606	3.0
91.05463	9.7
93.07040	40.9
95.04945	3.9
95.08602	30.8
95.82602	1.5
97.06524	3.5
99.08083	5.9
105.07034	42.2
107.07870	2.9
107.08592	52.7
109.06483	3.1
109.10147	29.9
111.08087	3.1
111.11694	3.2
113.09644	2.2
117.07005	3.2
119.08576	67.1
120.08920	2.0
120.80178	1.6
121.10148	8.7
123.11711	22.6
125.09691	2.4
127.11184	10.9
133.10123	23.9
135.11688	90.7
137.05940	1.7
137.13274	2.3
145.10117	1.8
147.11685	27.4
149.13289	7.7
159.11696	2.2
161.13252	12.4
163.14789	3.7
165.12831	2.3
175.14804	3.0
177.09125	2.3
177.16380	5.0
179.10765	1.6
203.14597	2.3
203.17953	40.6
221.07986	1.7
221.15463	3.4
221.19005	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.00305	0.9
53.03935	1.4
55.05502	8.8
57.03432	0.9
57.07079	3.8
59.04991	0.7
67.05230	0.6
67.05499	8.1
69.03403	1.1
69.07061	10.0
70.40511	2.8
71.04984	17.4
71.08587	0.8
79.05052	1.3
79.05486	16.5
79.94649	0.6
81.07045	71.6
82.07386	0.8
83.04967	2.3
83.08599	4.4
85.02878	1.0
85.06538	1.8
91.05461	10.4
93.07032	34.3
95.04945	2.6
95.08598	20.3
97.06512	2.6
97.10168	1.1
98.20770	0.8
98.97559	1.3
99.08073	4.9
105.07017	24.8
107.08580	54.7
109.06504	3.2
109.10147	21.9
111.08054	2.9
111.11713	0.8
113.09628	1.5
115.05448	0.8
116.98579	2.9
117.06982	1.7
119.08567	44.1
121.06438	1.1
121.10134	10.2
123.08045	3.0
123.11687	16.3
125.09623	1.4
127.11169	7.0
131.08554	2.1
133.06500	1.3
133.10114	24.5
134.99626	2.2
135.11674	100.0
137.05911	1.1
137.09612	3.9
137.13216	2.0
139.07509	0.9
139.11157	0.9
143.08569	1.5
145.10074	2.8
147.04318	1.2
147.08022	2.5
147.11665	21.0
149.13268	6.1
151.03889	0.7
151.07599	0.9
151.11172	2.5
157.10136	1.2
158.01198	0.9
159.11673	1.5
159.63792	0.7
161.05962	2.8
161.09590	1.5
161.13239	13.1
163.11143	2.0
163.14841	3.4
165.12772	1.6
175.07487	1.0
175.11124	1.1
175.14827	3.9
177.09068	1.3
177.16402	1.1
179.10640	1.0
179.14282	0.9
183.65559	0.8
185.13255	0.7
193.08582	1.4
193.15886	1.0
203.10609	1.9
203.14313	2.4
203.17931	29.6
221.04483	2.2
221.08012	1.8
221.11658	3.0
221.15495	8.9
221.18987	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	221.1534
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03930	1.6
55.01853	1.5
55.05508	12.8
55.44565	1.0
56.96552	1.1
57.03432	2.3
57.07083	6.2
59.04988	2.7
65.03922	1.7
67.05499	16.3
69.03428	10.9
69.07066	14.7
70.41292	0.9
70.91733	1.5
70.92081	1.4
71.04995	5.3
71.05309	1.1
79.05489	10.0
81.03410	1.4
81.07049	30.0
81.42316	0.9
83.04971	21.5
83.08619	4.9
85.06535	3.5
89.54838	0.9
91.05471	15.0
93.07030	20.6
95.04961	9.8
95.08040	1.7
95.08601	20.8
97.06507	3.7
98.97567	2.4
99.08064	2.1
103.05425	1.8
105.07023	36.8
107.04924	2.1
107.08587	24.9
107.09300	0.8
109.06504	12.1
109.09449	1.7
109.10149	19.5
111.08069	8.8
111.11727	1.2
111.44825	1.0
115.05424	2.8
116.98589	2.3
117.06985	3.2
119.04859	1.8
119.08572	51.6
120.08859	1.1
121.06507	5.8
121.10138	19.9
123.08062	12.7
123.11691	6.7
125.09653	2.5
127.07525	2.7
127.13644	1.0
128.06245	2.5
129.06982	3.1
131.08553	6.9
132.05634	1.3
133.06461	3.4
133.10117	52.0
134.10513	1.0
134.99615	1.9
135.08072	4.9
135.11671	11.5
137.05960	4.1
137.09604	17.9
137.13246	1.9
142.07748	1.7
143.08557	5.0
145.10123	7.5
147.04367	2.1
147.08035	17.2
147.11685	11.6
149.02339	1.2
149.09624	5.6
149.13239	3.3
150.06766	1.5
151.07515	1.7
151.11174	29.2
152.11385	1.0
153.09180	1.6
157.10144	5.5
159.08095	1.7
159.11697	5.0
161.05991	1.6
161.09619	12.9
161.13243	34.4
163.11171	6.6
165.05434	1.4
165.09102	44.9
165.85223	0.9
170.10896	4.0
171.07979	1.5
173.13232	4.0
174.10361	1.1
175.11208	9.3
175.14799	16.8
177.09085	2.7
177.12762	2.3
177.16325	1.2
179.10687	1.5
179.14212	1.8
185.13202	7.6
188.11972	2.0
190.13498	4.0
191.14275	10.0
193.04916	1.0
193.08592	1.8
193.15820	2.3
201.78181	1.0
203.10637	3.4
203.14299	15.9
203.17892	7.0
221.04182	4.8
221.07957	1.8
221.11714	5.6
221.15347	100.0
221.18687	10.7
221.21974	3.8
221.55568	1.3
222.15582	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1534
Annotation	(1S-cis)-4-[2,2-Dimethyl-3-(4-methyl-3-furanyl)cyclopropyl]-2-butanone
Peak:m/z	Relative Intensity
53.03929	2.2
55.01867	6.8
55.05269	1.6
55.05507	22.7
55.98636	1.0
57.03423	1.2
57.07069	6.0
59.04979	1.9
65.03903	1.1
67.05493	18.4
68.99802	1.0
69.03423	55.1
69.07061	11.7
71.04975	4.4
71.51389	1.0
71.51723	1.7
79.05486	29.0
81.03417	1.4
81.07048	65.1
81.60898	0.9
82.87598	1.0
83.04975	28.8
83.08609	8.1
84.74960	0.9
85.06517	3.2
91.05463	11.6
93.07034	14.7
95.04962	9.3
95.08596	23.7
97.06511	3.2
97.10152	2.3
98.97561	3.9
99.04439	1.2
99.08067	1.7
103.05464	2.0
105.07008	17.9
107.04954	7.6
107.08589	22.0
108.05666	1.1
108.09955	1.0
109.06505	26.0
109.10147	31.1
110.07256	3.6
111.08070	22.0
111.11760	1.1
115.05429	2.0
116.98615	2.2
117.07005	4.3
119.04948	1.9
119.08572	35.3
121.06454	5.2
121.09309	1.7
121.10134	25.0
122.07259	2.7
123.07181	1.7
123.08052	26.3
123.11683	10.5
125.09627	2.8
128.06227	8.1
129.07024	1.6
130.07802	0.9
131.04839	1.4
131.08548	4.3
133.06432	2.7
133.10112	19.7
135.08026	4.3
135.11671	15.3
137.02869	1.0
137.05962	43.3
137.09602	29.6
137.13182	1.2
138.10403	6.7
139.11122	4.7
143.08559	11.2
145.06444	2.7
145.10123	5.6
147.04346	1.0
147.08038	10.8
147.11691	7.0
149.09648	4.9
149.13245	1.1
151.07530	16.7
151.11148	4.0
151.14798	2.6
157.10089	2.1
158.99654	1.7
159.08032	2.8
159.11713	3.3
160.05183	2.0
160.08829	1.3
161.05963	1.4
161.09598	5.6
161.13217	10.8
163.07475	1.4
163.11174	17.4
165.09119	6.3
170.10924	1.7
171.08037	14.8
174.06761	6.0
175.07506	8.2
175.11159	2.8
175.14828	10.1
177.00682	2.3
177.09155	5.5
177.12718	3.4
179.14316	2.2
185.13139	2.1
188.08308	6.2
189.07748	1.9
191.10657	1.6
191.78149	1.0
192.15092	2.1
193.15865	14.3
198.08327	1.0
203.10651	30.0
203.14244	6.7
203.17874	2.7
219.01842	1.6
221.08061	2.0
221.11742	4.4
221.15347	100.0
221.18910	3.4
222.15685	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1535
Annotation	Glutinosone
Peak:m/z	Relative Intensity
52.02820	1.1
53.03928	1.8
55.01867	7.4
55.05264	1.5
55.05511	23.1
56.49846	0.9
57.03428	2.0
57.07077	6.1
59.04982	2.6
65.03928	1.7
67.05178	1.0
67.05500	17.7
69.03426	49.7
69.07069	12.8
69.82672	6.2
71.04985	3.0
75.66186	1.0
79.05489	28.9
81.03408	1.1
81.07055	56.2
83.04977	28.3
83.08622	8.1
85.02890	1.6
85.06539	3.8
91.05469	13.2
93.07036	15.8
95.04967	9.9
95.08039	2.0
95.08601	21.3
97.06531	3.2
97.10134	1.8
99.08081	1.7
100.96291	1.1
103.05460	1.0
105.06378	1.9
105.07031	19.2
105.07693	2.1
106.22417	1.0
107.04948	10.9
107.08584	13.4
109.06515	27.0
109.10149	26.1
110.07304	3.7
111.08076	17.4
117.07020	5.3
119.01334	1.7
119.04929	1.6
119.08576	34.3
121.06516	4.9
121.10135	24.5
122.07264	4.5
123.08069	21.3
123.11710	4.3
125.09612	3.8
129.06993	1.1
131.08543	2.5
133.06436	2.4
133.10115	17.0
135.08061	4.6
135.11662	9.9
137.05971	36.4
137.09608	28.0
137.13170	1.6
138.10381	7.0
139.11147	3.8
143.08546	2.2
145.10120	5.6
147.08032	9.6
147.11711	5.2
148.60678	1.1
149.02316	3.8
149.09593	5.7
149.13208	1.4
151.07536	12.5
151.11121	3.7
151.14769	2.8
157.06529	1.1
157.10072	1.3
159.11694	3.4
161.05922	2.0
161.08438	1.1
161.09584	5.8
161.13239	13.0
163.11165	18.6
165.01811	1.7
165.09129	5.5
175.07465	1.6
175.11147	2.0
175.14806	8.0
177.09103	24.6
177.12737	3.7
179.10591	2.2
179.14317	2.4
183.23080	1.1
185.13219	2.4
192.15047	2.5
193.08658	3.1
193.15897	12.0
203.10600	1.9
203.14325	5.6
221.00803	11.2
221.04187	1.6
221.08061	3.2
221.11795	3.0
221.15355	100.0
221.18803	3.3
222.15611	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1171
Annotation	Aristelegone B
Peak:m/z	Relative Intensity
53.03939	1.2
55.01867	1.4
55.05502	5.5
56.96561	3.4
57.02182	0.8
57.07063	3.5
59.04994	1.0
60.39024	0.7
65.03927	1.1
66.51080	0.9
67.05495	4.3
69.03436	2.7
69.07076	2.9
71.04987	5.2
71.59705	1.2
79.05486	6.9
81.03421	1.7
81.07047	19.8
81.07512	1.5
83.05018	0.8
83.08615	1.4
83.94901	0.8
85.06539	11.2
91.05463	17.1
91.05998	1.0
93.07034	12.6
95.04961	1.1
95.08596	7.5
97.10136	1.1
98.97585	2.1
103.05465	1.9
105.07023	100.0
107.04955	1.7
107.08585	10.5
109.06526	3.1
109.10139	7.8
111.08127	0.9
113.05984	6.0
115.05458	1.1
116.98634	3.5
117.06990	1.9
118.07838	1.2
119.04953	4.6
119.08579	16.9
121.06501	13.7
121.10157	3.1
123.08084	2.7
123.11719	3.3
127.11237	2.3
128.06230	3.1
129.07031	1.4
131.08569	4.1
133.06488	22.1
133.10120	69.9
134.99620	4.5
135.08023	1.4
135.11685	13.2
137.06009	2.4
137.09613	4.4
143.08549	7.2
145.06458	2.0
145.10110	2.7
146.07268	6.8
147.04427	1.2
147.08040	2.8
147.11685	5.2
149.13310	1.7
151.03897	1.4
151.07521	2.6
153.00708	1.8
153.09181	1.2
157.10109	1.1
158.01311	2.4
159.08081	1.7
159.11708	1.2
160.08885	0.9
161.09602	89.5
161.13275	3.5
162.09944	0.8
163.11049	1.2
165.05481	1.0
165.09129	3.0
165.12781	2.0
171.08066	2.1
174.06786	1.5
175.11278	1.2
175.14850	1.0
177.09091	0.9
179.10704	1.9
185.13295	0.9
189.09097	17.8
189.10719	1.3
193.08556	0.8
193.12222	7.0
195.04651	1.4
203.10680	1.2
203.14305	2.2
203.17926	8.3
206.12604	1.1
206.16257	1.3
207.10143	1.9
221.04453	2.0
221.07942	2.2
221.11674	13.2
221.15349	4.9
221.19096	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	221.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	3.9
56.96547	5.0
57.07049	5.2
67.05489	2.4
69.07019	2.3
69.65527	14.1
71.08611	1.9
77.00866	2.5
81.07018	3.0
83.08640	2.0
95.08539	3.4
97.01656	2.0
98.20799	2.0
100.02471	5.4
101.00854	6.6
102.02223	2.3
107.08556	3.9
109.02846	1.9
109.06495	1.9
109.10085	3.1
116.98594	3.5
118.03525	10.1
119.01917	100.0
119.08604	2.0
120.02008	3.3
121.01633	5.5
121.06445	3.3
121.10093	2.1
126.36208	1.6
127.00894	4.5
131.01863	3.5
131.03654	2.6
134.99612	5.2
137.02948	53.5
137.05911	2.4
137.09499	2.0
138.03059	1.9
139.00865	6.4
139.02608	3.3
142.03462	8.5
143.01793	2.0
148.01413	12.9
148.51509	4.4
149.04727	2.6
150.51631	5.5
151.01653	3.1
157.01648	4.0
159.52261	11.6
160.04462	3.3
161.01691	2.7
161.02957	29.9
161.04254	2.0
165.09122	2.5
173.02924	2.9
174.98553	2.2
175.02678	8.6
175.04242	1.9
175.11014	2.7
177.00862	4.6
179.00662	14.2
179.04005	68.9
179.05565	4.3
184.04633	3.0
195.51442	10.6
196.01564	3.9
197.03098	2.3
197.99055	3.9
198.02606	2.2
198.04266	6.7
198.05855	3.4
202.05620	3.0
203.00826	2.0
203.03854	2.6
207.02197	3.2
216.07216	4.3
221.01743	70.2
221.05008	3.9
221.08167	2.9
221.11845	2.7
221.15341	4.4
221.17833	3.1
244.03505	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.092
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
54.95812	0.5
56.96560	1.2
60.04509	0.6
60.72499	0.6
67.28871	0.6
67.65383	0.6
69.03448	0.6
69.77044	1.6
69.77473	2.7
81.07053	1.4
82.02934	1.7
85.02882	0.6
94.06561	3.4
95.08632	1.0
97.02874	1.2
98.97581	1.4
100.62533	0.6
103.05428	1.1
104.04932	0.7
106.70706	0.6
111.08047	0.7
115.05414	1.2
116.98612	0.8
121.00436	0.5
121.06495	0.8
124.11489	0.6
130.06517	68.1
132.04440	37.1
137.05988	1.1
143.00140	1.1
143.03328	0.9
146.06015	0.7
147.04396	1.1
147.09134	1.1
148.07561	2.7
151.11119	0.9
153.01840	6.0
153.09103	0.6
156.97499	0.7
157.07603	50.8
158.06006	78.4
159.06367	0.6
161.01208	1.0
175.08658	100.0
176.07060	2.3
176.09047	1.0
185.07091	1.0
186.05484	2.5
193.16002	0.8
203.08145	33.2
204.06601	4.4
204.08331	1.2
206.16229	0.7
219.03462	0.8
221.04379	1.2
221.09203	21.5
221.15268	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1742
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03938	1.0
55.01887	0.6
55.05509	8.2
57.07072	1.5
65.03926	0.7
67.05157	1.0
67.05498	9.7
69.03414	1.4
69.07059	6.0
69.73332	2.1
69.73746	2.4
71.04977	3.1
71.08167	0.7
79.05484	8.0
81.06580	1.3
81.07053	20.6
83.04961	1.6
83.08609	2.1
85.06542	1.5
86.79626	0.6
91.05478	8.3
93.07040	18.5
95.04963	2.9
95.08601	20.5
97.06527	3.6
97.10163	1.6
98.21459	1.6
98.97574	0.9
103.05448	0.9
105.07030	18.7
107.04911	0.7
107.08589	14.9
107.26128	0.7
109.06514	2.2
109.09449	1.0
109.10150	9.5
111.08056	2.2
115.05443	0.9
117.06977	3.6
119.08579	16.1
121.06422	0.9
121.10143	11.6
123.08083	4.2
123.08818	0.7
123.11670	1.4
125.09614	3.3
129.06996	2.5
130.07753	1.0
131.04901	0.8
131.08568	11.1
133.10123	15.7
135.08029	1.4
135.11671	8.2
137.09605	1.3
143.08556	1.2
145.06468	1.0
145.10118	14.0
147.11688	5.2
149.09702	1.7
149.13245	2.1
151.03931	5.7
151.11057	1.0
157.06447	1.3
157.07629	0.8
158.07210	0.7
159.08034	1.6
159.11688	11.9
161.05969	0.7
161.09601	2.0
161.13264	12.0
163.11150	3.5
163.14880	1.1
173.13251	8.8
174.06764	1.8
175.07533	1.7
175.14815	7.8
177.12737	1.2
177.16440	1.3
186.06828	1.0
189.09091	3.3
191.10663	1.1
191.14232	1.1
191.17937	2.9
201.09149	1.8
201.16362	22.2
203.14297	18.7
207.75020	0.8
216.34778	0.7
219.10152	8.9
219.13881	3.8
219.17432	100.0
220.17709	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1741
Annotation	(-)-Taylorione
Peak:m/z	Relative Intensity
55.05495	4.6
57.07066	1.8
63.97151	0.9
67.05497	11.3
69.07056	6.3
70.49185	3.5
71.04972	2.4
79.05489	7.8
81.06584	1.3
81.07053	25.1
83.04953	2.6
83.08607	2.4
85.06524	1.6
91.05463	8.3
93.07038	22.1
95.04954	2.4
95.08599	22.8
97.06508	3.3
97.10144	1.0
98.20713	1.1
98.21295	2.0
98.97562	1.3
105.07022	20.6
107.08586	16.6
109.06505	3.3
109.10148	10.3
111.08060	4.5
115.05409	1.3
117.07028	7.0
119.08566	16.7
121.06512	1.2
121.10135	11.8
123.08062	4.0
123.11673	2.5
125.09615	3.0
128.06181	1.1
129.06985	2.2
130.07793	1.2
131.08549	16.8
133.10107	16.5
135.08025	1.4
135.11673	8.2
137.09595	2.2
141.06969	1.8
145.09019	2.0
145.10095	21.0
147.11678	5.1
149.09541	1.3
149.13197	1.6
151.03949	2.6
151.11218	1.8
157.10063	1.3
159.08069	1.7
159.11656	14.5
161.09576	1.8
161.13234	9.0
163.11153	3.3
170.10858	1.5
173.13258	11.6
174.06775	2.9
175.14812	14.8
177.12727	1.3
189.09125	3.1
191.17976	2.3
201.16367	22.3
203.14290	14.1
208.11288	1.4
219.10164	5.1
219.17422	100.0
220.17789	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03944	0.8
55.01871	0.9
55.05507	4.4
55.43687	0.7
57.03414	1.2
57.07063	1.7
59.04981	1.5
67.05503	11.6
69.03416	1.8
69.07063	7.6
71.04969	2.2
71.59827	1.1
79.05488	8.9
81.07056	22.6
83.04960	2.2
83.08598	2.0
85.06532	0.8
91.04962	1.0
91.05474	10.0
93.07039	20.2
95.04948	3.2
95.08601	22.3
97.06500	3.9
97.10154	1.1
98.97565	1.0
103.05414	1.0
105.07023	23.2
107.08589	17.3
109.06505	2.7
109.10149	11.8
111.08078	1.7
115.05438	1.4
116.98597	1.4
117.07004	5.4
119.08578	14.7
121.06535	1.2
121.10142	13.5
123.04408	1.2
123.08074	4.1
123.11685	2.5
125.09602	1.9
128.06204	0.7
129.07031	3.3
130.07813	0.7
131.08563	12.5
133.10133	14.3
135.07990	1.5
135.11682	11.2
137.09509	0.8
141.06993	2.0
141.46271	0.8
144.05688	0.8
144.09315	0.9
145.06485	1.6
145.09038	1.3
145.10118	18.1
147.11685	4.4
149.09584	2.1
149.13211	1.6
151.03882	13.9
151.11119	0.9
157.06462	1.7
157.10094	1.3
158.07300	1.5
159.08025	2.1
159.11691	12.8
159.26260	0.7
161.09612	2.5
161.13251	14.0
163.11153	3.2
163.14931	0.7
169.06416	0.9
173.09653	0.8
173.13255	6.1
174.06749	3.9
175.07501	1.9
175.08884	0.8
175.14803	3.2
177.05363	0.9
177.12743	1.3
177.16368	0.8
187.07581	0.8
189.09084	5.6
191.17961	2.3
201.09126	2.6
201.16373	25.0
203.14291	17.5
215.84476	0.6
219.02902	1.2
219.06560	1.6
219.10126	11.7
219.13837	3.4
219.17429	100.0
220.17632	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	219.1015
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.91157	0.9
57.03411	1.0
62.23226	0.9
64.87947	0.8
69.89655	0.9
70.14571	1.5
70.14965	2.2
76.38979	0.9
79.05491	1.7
81.07026	1.1
91.05482	8.0
93.07016	1.8
95.08614	1.3
98.21223	2.4
98.29197	0.8
98.97559	1.5
102.24596	1.0
103.05457	1.6
105.07016	2.7
111.05527	1.6
115.05421	7.2
116.06207	1.9
117.07014	2.4
119.08542	3.0
121.10146	2.0
128.06209	7.6
129.07001	31.2
130.07747	2.1
131.04929	5.5
131.08565	28.8
133.06503	1.0
133.10110	3.4
137.05939	3.0
141.06979	29.1
143.04912	1.4
143.08580	1.5
144.05659	4.2
145.06456	5.9
146.07228	3.9
157.06483	17.1
158.07266	16.6
159.04463	2.8
159.08055	23.4
160.05176	3.4
160.07570	1.0
161.05954	1.1
161.09610	2.9
161.13292	1.3
162.06767	1.2
163.07558	1.5
165.68456	0.9
169.06461	11.5
169.07637	1.3
170.07318	5.6
173.05962	4.2
173.09557	1.3
174.06761	60.4
175.07550	9.1
185.05930	1.5
186.06761	15.5
187.07512	2.3
188.08302	3.5
189.09102	79.5
190.09465	1.1
191.06918	1.2
191.10690	6.4
201.09100	33.9
201.10945	2.0
203.14299	4.8
219.10153	100.0
219.13689	2.9
219.17407	20.9
220.10442	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	219.1014
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
54.65433	0.9
55.05497	3.2
57.03410	1.0
67.05482	2.5
69.03417	2.0
69.07051	2.2
70.84789	1.0
71.04985	1.8
79.05457	2.4
81.07060	2.8
83.04977	1.6
91.05479	8.5
93.07033	4.2
95.04954	1.7
95.08582	1.9
100.11248	2.5
103.05470	2.8
105.07014	4.9
107.04987	1.4
107.08571	3.2
109.10175	1.7
115.05444	7.6
116.06235	2.4
117.06999	3.6
119.08549	4.3
121.10114	4.5
122.12302	1.0
123.08044	1.5
128.06206	8.5
129.07002	29.4
130.07738	2.6
131.04897	4.9
131.08566	28.6
133.10109	7.7
133.19258	1.0
135.08022	1.4
135.11658	1.1
137.05968	2.9
141.06982	26.1
143.04939	1.5
143.08537	2.5
144.05676	4.5
145.06485	5.7
145.10162	3.6
146.07228	3.9
147.08063	1.1
147.11647	1.6
151.03877	2.1
157.06465	15.9
158.07277	13.0
159.04381	2.2
159.08046	21.7
159.11685	2.5
160.05153	4.8
161.05940	1.1
161.09624	5.0
161.13197	3.3
163.07510	2.2
169.06465	11.9
169.07764	1.5
170.07321	6.3
173.05962	2.8
173.09531	1.5
173.13286	1.3
174.06766	54.2
175.07492	7.7
175.14856	2.4
183.08055	1.2
186.06723	14.2
187.07413	1.7
187.11163	1.3
188.08279	3.4
189.09103	69.4
190.09389	1.3
191.10667	6.5
201.09082	34.7
201.16385	1.5
203.14307	18.8
219.10147	100.0
219.13774	2.8
219.17426	80.3
220.17854	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
70.05611	100.0
86.81443	21.7
119.01923	25.8
173.03011	31.4
219.02661	64.2
219.17476	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
51.64029	0.7
55.05496	1.9
57.03415	1.0
65.63949	0.7
66.90510	0.7
67.05479	2.3
69.07023	0.9
70.86809	2.3
79.05479	1.5
81.07042	3.4
83.05006	0.9
91.05470	6.1
93.07036	3.5
95.08564	1.6
100.11248	1.5
103.05438	1.6
105.07021	4.3
107.08602	2.2
109.06487	0.9
109.10143	1.1
111.04345	0.9
111.07986	0.8
115.05465	5.0
116.06266	1.5
117.07023	2.9
119.08566	3.3
121.10168	4.8
128.06216	5.2
129.07007	24.2
130.07790	1.3
131.04913	4.4
131.08572	23.5
133.06389	1.1
133.10114	5.2
135.11632	1.2
137.05956	2.6
141.06985	20.7
142.07719	1.0
143.04938	1.3
143.08521	2.4
144.05710	3.6
145.06450	3.6
145.10098	2.2
146.07263	3.3
147.08015	1.4
147.11655	1.0
149.09608	1.2
151.03882	2.1
157.06471	13.8
158.07269	13.8
159.04497	1.9
159.08052	19.9
159.11661	1.9
160.05244	3.6
161.09671	4.0
161.13245	1.5
163.07506	2.4
163.11182	0.9
168.05647	0.9
169.06502	11.1
169.07788	1.1
170.07266	5.5
173.05992	2.7
173.09566	0.8
173.13217	1.0
174.06767	50.2
175.07524	9.1
175.14732	0.8
185.05908	0.8
186.06769	11.8
187.07530	1.6
188.08368	2.6
189.09103	70.5
190.09468	1.7
191.07031	1.1
191.10640	5.1
201.09100	27.3
201.10953	1.9
201.12799	1.4
201.16356	1.7
203.14317	15.3
219.10155	100.0
219.13817	2.4
219.17432	56.8
220.10452	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1848
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
55.01880	4.2
55.05261	3.1
55.05511	42.6
57.03442	4.1
57.07078	11.7
59.04990	7.4
67.05499	18.3
69.03442	2.1
69.07068	100.0
70.06309	6.5
71.04990	17.2
71.08619	2.4
72.49460	1.6
73.06554	2.1
79.05505	11.3
81.07060	54.4
81.61730	1.7
83.04977	10.1
83.08618	24.2
85.06544	41.5
88.07626	1.9
91.05464	4.7
93.07041	31.9
95.04978	2.4
95.08608	83.3
96.15314	1.9
97.06521	7.0
97.10171	21.8
97.89635	1.9
99.08086	27.7
105.07005	7.3
107.04952	8.7
107.08598	52.7
109.10152	39.0
111.08072	6.6
111.11709	12.5
113.09647	14.8
121.10143	75.8
123.11713	14.1
125.09641	12.3
125.13269	2.2
135.08057	2.2
135.11691	40.7
136.12003	2.1
137.12291	3.3
137.13261	37.3
139.11188	12.5
143.08563	2.5
149.13271	10.8
151.14806	4.4
153.01819	3.4
153.12744	12.9
155.08478	2.6
157.10120	2.9
163.07521	4.6
166.18605	1.9
167.07056	15.1
177.16394	99.5
180.09309	2.4
185.13313	2.2
195.10147	3.6
195.11745	3.7
195.17459	24.6
213.05516	2.8
213.10399	1.7
213.12776	6.5
213.16603	3.0
213.18494	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	213.1848
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03927	1.3
55.01864	4.7
55.05507	18.5
56.96552	2.2
57.03414	1.9
57.07079	3.6
59.04959	0.7
65.03942	1.6
67.05503	8.6
69.03423	4.7
69.07066	21.8
70.06545	1.0
71.04983	9.3
71.08613	1.5
71.59725	0.7
71.60110	1.1
79.05057	1.0
79.05487	12.9
81.03400	1.2
81.07051	27.1
83.04995	4.3
83.08138	1.0
83.08612	16.2
85.02906	1.1
85.06536	6.8
87.04421	0.8
88.07606	2.1
91.05467	6.9
93.07037	18.7
95.04967	3.3
95.08604	39.8
96.08913	0.8
97.02882	1.2
97.06519	9.7
97.10168	10.7
98.97588	5.2
99.04442	1.7
99.08090	24.0
103.05444	1.2
105.07015	9.7
107.04958	7.8
107.08585	41.9
109.06512	4.5
109.10155	13.5
109.70716	0.8
111.04424	1.4
111.07359	1.1
111.08075	15.9
113.09613	3.5
115.05450	1.1
116.98602	4.2
117.07009	0.8
119.08593	3.6
121.06484	2.6
121.10137	66.3
123.04396	2.2
123.08043	4.1
123.11687	3.3
125.02376	0.9
125.05984	8.2
125.09628	9.5
125.13271	0.8
127.03886	0.9
127.07566	0.7
128.06226	2.6
129.06987	2.2
131.04938	0.9
131.08572	4.8
133.07655	0.7
133.10097	1.5
134.99635	2.8
135.08037	3.5
135.11688	14.7
137.13252	9.2
139.07555	1.3
139.11183	3.2
140.04826	0.7
141.05434	2.8
141.07034	1.0
142.07748	2.1
143.01918	0.8
143.08549	4.9
146.99667	0.9
147.11642	1.1
148.97237	0.8
149.09616	10.6
149.13246	5.6
151.11200	1.0
153.00691	1.2
153.01828	10.6
153.05453	7.6
153.06656	1.1
153.09094	1.1
153.12694	2.1
155.08551	2.3
156.09341	1.4
157.06487	2.1
157.10152	3.4
158.99681	1.1
159.11717	1.8
163.07539	3.1
165.06990	2.5
167.07062	13.3
167.08423	1.6
167.10596	3.1
167.14285	1.0
169.10139	1.6
171.08049	2.2
171.11671	2.3
172.08749	0.8
177.00681	3.3
177.09109	6.9
177.12874	2.1
177.16376	100.0
178.16707	1.0
180.09340	2.7
185.07108	10.7
185.09619	1.6
185.13228	4.2
195.10143	9.6
195.11719	6.3
195.13774	7.1
195.17433	15.6
198.10422	1.2
213.06447	4.4
213.09229	1.1
213.11118	2.7
213.12744	11.3
213.14835	8.4
213.16306	1.0
213.18382	10.0
213.57898	1.0
222.08220	4.7
222.58572	0.9
233.59167	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	213.1484
Annotation	MKN-003B
Peak:m/z	Relative Intensity
53.03936	8.9
55.01863	3.0
55.05504	18.9
57.03419	6.8
57.07074	12.0
59.04978	4.1
60.70211	1.3
65.03938	2.2
67.05499	51.1
69.03418	4.4
69.07063	35.6
70.93002	4.6
71.04983	5.3
71.08621	11.7
79.05051	2.6
79.05484	29.6
81.03403	23.9
81.07048	62.7
83.04976	4.4
83.08207	2.1
83.08617	22.4
85.06535	11.2
85.10198	1.7
88.07619	4.1
91.05474	8.6
93.07034	37.3
95.04960	12.4
95.08598	72.4
97.06522	19.9
97.10140	3.5
99.04463	3.1
99.08072	6.6
105.07034	9.7
107.04947	10.2
107.08584	54.2
109.06496	5.9
109.10145	56.8
111.04430	6.1
111.08067	14.6
113.06018	2.0
115.05463	1.6
117.06984	2.0
119.08585	6.5
121.06513	4.9
121.10131	40.9
123.08051	4.6
123.11697	65.4
125.05978	71.4
125.09603	7.2
125.13251	4.3
127.07523	6.0
128.06227	5.2
129.06978	5.9
131.08528	3.4
133.10144	1.8
134.10971	2.3
134.99673	2.0
135.08026	6.8
135.11711	7.1
137.09599	3.1
139.07512	22.3
139.11154	2.3
141.09079	4.6
142.07758	5.7
143.08551	11.3
145.10085	1.9
149.09628	2.1
149.13245	54.2
150.13658	1.8
151.11133	2.3
151.14816	8.1
153.01819	5.7
153.05446	1.5
153.06920	1.9
153.09059	7.9
153.12654	2.2
155.07321	1.7
155.08496	6.9
156.09332	3.2
157.06512	2.6
157.10114	12.7
159.11746	6.9
163.07533	3.7
165.06929	3.5
167.07021	12.6
167.08321	2.4
167.14317	17.9
169.10141	1.9
170.10884	2.4
171.08040	5.4
171.11659	8.2
177.09120	2.2
177.12714	12.1
177.16333	9.8
180.09283	4.6
185.09621	2.1
185.13193	8.5
195.10066	3.7
195.11763	11.0
195.13785	100.0
195.17467	6.1
196.14111	2.0
198.10355	2.2
204.59204	1.5
209.68892	1.4
213.05524	4.2
213.09265	8.1
213.11037	2.7
213.12732	21.7
213.14819	13.5
213.16399	14.6
213.18550	3.8
231.97766	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1119
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
51.95898	0.6
53.03937	1.7
55.01848	2.0
55.05498	4.4
56.96574	0.7
57.03429	1.5
57.07062	0.9
64.51489	0.6
67.05490	3.9
69.03411	2.5
69.07077	4.0
71.04982	2.1
71.60046	0.7
71.60467	0.7
78.04693	1.7
79.05052	1.0
79.05486	12.7
81.03410	1.1
81.07051	8.6
83.04973	1.5
83.08600	1.2
85.02908	0.8
85.06493	1.1
88.07629	1.2
89.90688	0.5
91.05476	6.0
92.02644	0.6
93.03364	0.8
93.07039	7.7
95.04961	4.8
95.08606	5.0
97.02859	1.1
97.06509	2.7
98.93748	0.6
98.97559	1.6
99.04446	1.7
99.08096	1.4
103.05461	6.8
105.03384	0.6
105.07023	10.8
107.04945	48.3
107.08588	6.7
109.06470	2.1
109.09475	0.7
109.10141	4.9
110.10437	1.4
111.04415	0.8
111.08064	2.0
111.10855	0.7
113.05955	0.9
113.09662	0.9
115.05422	3.6
116.98595	1.5
117.06984	1.3
119.04921	0.7
119.08562	2.2
120.05745	1.5
121.06477	2.2
121.09291	1.2
121.10123	10.5
123.04429	7.8
123.08080	2.9
123.11684	1.9
124.05164	2.3
125.05041	1.1
125.05950	6.0
125.09621	1.6
127.03904	0.7
127.07526	0.6
128.00766	0.9
128.06223	1.6
129.01070	2.9
129.06989	2.0
130.01523	0.8
131.04878	2.2
131.08560	3.0
132.15237	0.7
133.06497	1.2
133.10120	1.5
135.04384	1.0
135.08034	14.4
135.11685	2.6
137.05972	1.8
137.12325	1.7
139.03900	1.4
139.07516	0.7
139.11169	2.1
141.05452	2.8
142.07793	1.8
143.08553	4.5
145.06541	0.8
145.07588	1.4
145.10175	0.8
147.04388	1.1
149.09605	14.9
149.13271	1.6
151.03909	1.2
151.07516	1.5
151.11188	1.1
152.04659	2.0
153.01765	3.2
153.05461	1.7
153.08032	0.8
153.09131	1.1
153.12775	1.1
154.06198	2.3
154.07785	0.6
155.08514	2.2
157.06549	1.0
157.10114	4.2
158.99658	0.8
159.11769	0.9
161.05934	0.6
163.07530	29.3
165.05560	0.8
165.06972	2.3
167.07027	100.0
167.10696	2.6
168.07410	1.3
169.10155	1.3
170.10904	0.6
171.08073	1.5
171.11661	1.7
177.00671	0.7
177.09068	7.0
177.12773	1.2
177.16440	1.9
179.07014	1.1
180.07779	2.6
180.09326	2.4
181.07559	5.0
185.09561	1.3
185.13261	3.1
195.10147	25.7
195.11719	5.0
195.13795	2.6
198.10339	1.4
203.38109	0.7
213.05612	1.4
213.09111	2.3
213.11142	5.2
213.12772	8.2
213.14787	1.3
234.65881	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.112
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
50.87893	0.2
51.02381	0.2
53.00302	0.3
53.03944	0.7
55.01866	1.1
55.05502	1.2
56.96556	0.6
57.03428	0.6
57.07072	0.4
65.03933	0.4
67.05503	0.9
69.03439	0.5
69.07064	1.3
71.04984	0.9
71.60367	0.3
75.03979	0.2
78.04707	1.7
79.01834	0.3
79.05487	8.0
81.03411	0.7
81.07037	2.0
82.08835	0.2
83.04982	0.4
83.08605	0.7
85.02894	0.5
85.06535	0.9
88.07610	0.5
91.05470	4.2
92.06231	0.3
93.06548	0.2
93.07023	1.5
95.04964	2.9
95.08597	1.6
97.06541	0.6
98.97586	1.1
99.04500	0.3
99.08109	0.3
100.11249	0.7
103.05457	7.6
105.03384	0.3
105.04519	0.4
105.07024	6.6
106.04159	1.1
107.04948	51.6
107.08569	1.9
108.05260	0.3
109.02888	0.3
109.06503	0.6
109.10134	0.5
110.03630	0.3
111.04434	0.7
111.08090	0.9
115.05441	3.7
116.98592	1.2
117.06996	1.4
119.04951	0.7
119.08582	0.8
120.05707	1.6
121.06490	1.0
121.10104	1.1
122.03646	0.5
123.04422	5.9
123.08021	0.5
124.05196	2.9
125.02352	0.2
125.05994	2.0
128.06216	0.4
129.07028	0.7
131.04921	2.5
131.08583	0.7
133.02879	0.3
133.06500	0.9
134.03586	0.3
134.99641	1.0
135.04434	0.7
135.08046	14.1
135.11652	0.8
137.05940	1.6
139.03915	0.8
139.07524	0.6
140.04643	0.3
141.06927	0.4
141.11424	0.5
142.07767	0.9
143.03400	0.4
143.08534	1.8
145.06479	0.3
145.07607	0.9
145.10126	0.3
147.04402	0.5
147.11710	0.6
148.05159	0.5
149.05980	0.9
149.09642	0.5
149.13252	0.5
151.03876	1.2
151.07515	0.5
152.04695	2.2
153.00717	0.2
153.01811	4.5
153.09082	0.3
154.06232	2.3
155.08557	0.8
156.09309	0.3
157.06535	0.5
157.10132	1.2
159.11658	0.4
163.07536	28.1
164.07919	0.4
165.05492	0.6
165.06973	0.6
167.07030	100.0
168.07323	1.3
169.10240	0.3
170.10846	0.3
171.08089	0.6
171.11678	0.6
177.00700	0.8
177.09132	0.4
177.12735	0.5
180.07800	3.0
180.09354	0.9
181.08644	0.6
182.15387	0.4
185.09628	0.5
185.13243	1.4
195.10158	19.6
195.11693	2.0
195.13843	0.9
196.10590	0.3
199.17990	0.3
213.05501	1.0
213.07674	0.6
213.09261	0.4
213.11185	4.0
213.12767	2.7
213.18182	0.4
214.08586	0.9
223.09085	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01863	1.0
55.05505	2.0
56.96544	0.3
57.03429	0.9
65.03926	0.5
67.05498	1.9
69.03410	1.0
69.07066	1.5
71.04976	1.2
71.61488	0.4
72.93310	0.2
75.10181	0.2
78.01747	0.2
78.04697	1.9
79.05486	9.7
80.05832	0.3
81.03390	0.6
81.07047	4.0
82.07410	0.3
83.04975	0.6
83.08607	1.0
85.02879	0.6
85.06523	0.9
88.07623	0.4
91.05476	4.7
93.03386	0.4
93.07032	3.4
94.04193	0.4
95.04961	3.6
95.08576	2.0
97.02869	0.5
97.06520	1.2
98.97575	0.8
99.04434	0.7
99.08055	0.5
103.05460	6.8
105.03406	0.3
105.04489	0.4
105.07015	6.5
105.07679	0.5
106.04169	0.9
107.04945	50.2
107.08582	2.7
108.05254	0.4
109.02888	0.5
109.06511	1.3
109.10123	1.4
110.03630	0.4
110.10472	0.5
111.04424	0.6
111.08083	0.9
111.11773	0.2
113.06030	0.3
113.09641	0.4
114.36748	0.3
115.05448	3.4
116.98595	0.6
117.07007	1.5
119.04958	0.8
119.08566	1.0
120.05748	1.4
121.06517	1.4
121.09310	0.5
121.10132	4.7
123.04424	5.8
123.08009	1.3
123.11661	0.7
124.05296	3.0
125.04939	1.3
125.05981	3.5
125.09634	0.6
127.03895	0.4
128.06171	0.5
129.01100	0.8
129.07001	0.7
130.01436	0.6
131.04926	2.2
131.08568	1.5
133.06453	1.0
133.10164	0.5
134.03688	0.4
134.99629	0.6
135.04446	0.5
135.08041	14.8
135.11665	1.3
136.12004	0.5
137.05974	1.5
137.12291	0.4
139.03857	0.4
139.07545	0.6
139.11147	0.7
141.05460	0.9
141.06926	0.3
142.07788	1.0
143.08548	1.4
145.06525	0.6
145.07622	1.0
147.04407	1.2
148.05113	0.3
148.97366	0.4
149.05960	0.8
149.09621	5.2
149.13220	0.3
151.03902	1.3
151.06410	0.3
151.07530	0.8
151.11172	0.6
152.04694	1.7
152.07880	0.5
153.01819	1.3
153.05458	0.7
153.08012	1.1
154.06218	2.2
155.08530	0.5
156.09305	0.6
157.06508	0.6
157.10127	1.5
157.82561	0.3
158.99626	0.3
159.11658	0.8
163.07530	30.1
164.07867	0.3
165.05460	0.8
165.07007	1.1
167.07025	100.0
168.07327	1.5
169.07770	0.8
169.10048	0.7
170.10837	0.4
171.08055	0.8
171.11681	0.7
177.09113	2.9
177.12724	0.6
177.16452	0.5
179.07034	1.4
180.07703	3.3
180.09355	1.0
181.07527	6.3
185.09581	0.6
185.13234	1.4
195.10159	19.1
195.11684	1.9
195.13713	0.6
196.10445	0.3
213.05521	0.9
213.09312	0.4
213.11105	4.6
213.12816	2.5
213.16263	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20501	0.4
53.03928	1.1
55.01858	1.2
55.05505	2.3
56.96554	2.5
60.67971	0.4
65.03928	0.8
67.05502	2.5
69.03403	1.6
69.07061	2.5
69.48738	4.3
70.06577	0.8
71.04974	1.6
72.08125	0.6
77.13398	0.4
78.04704	1.4
79.05484	8.4
81.03403	0.8
81.07056	2.3
83.04976	1.0
83.08596	1.3
85.02899	1.2
85.06539	1.0
88.07607	0.8
91.05476	4.8
93.03325	0.5
93.07027	3.5
95.04954	2.8
95.08570	1.6
97.02917	0.5
97.06490	1.3
98.20702	0.5
98.97568	5.2
103.05466	5.9
105.07024	9.6
106.04137	1.2
107.04944	47.7
107.08593	2.5
108.28284	0.5
109.06495	1.5
109.10143	1.4
111.04439	1.1
111.08052	0.9
115.05418	2.7
116.98616	5.3
117.07011	1.1
119.04919	0.5
119.08598	2.2
120.05710	1.4
121.06486	1.8
121.10143	2.4
123.04418	5.3
123.08042	0.7
123.11667	0.5
124.05201	3.3
125.02313	0.7
125.05987	2.3
125.09596	1.0
128.06200	0.5
128.98590	1.2
129.06982	0.8
131.04906	1.6
131.08559	0.6
133.06479	1.8
133.10062	0.8
134.03644	0.5
134.99643	3.3
135.08044	15.4
135.11655	0.9
137.05957	1.2
137.09517	0.6
139.03874	1.2
139.07527	1.2
140.04642	4.5
141.07019	0.7
142.07715	0.5
143.08493	1.9
145.06485	0.5
145.07553	0.8
146.99635	1.4
147.04372	0.5
147.11661	3.2
148.05167	0.5
149.05971	0.8
149.09631	0.9
149.13245	1.0
151.03912	1.1
151.11186	0.6
152.04643	1.8
153.00676	0.5
153.01799	1.5
153.05505	1.0
153.09061	0.6
154.06223	2.6
155.08556	1.4
157.06494	0.5
157.10104	1.8
158.99698	2.2
159.11627	0.7
161.01204	0.8
163.07526	30.7
164.07770	0.6
165.00740	0.6
165.05522	1.1
165.06953	1.2
167.07025	100.0
168.07460	0.9
169.10094	0.6
170.99574	0.5
171.08075	0.8
171.11711	1.3
177.00696	3.9
177.09079	0.9
177.12746	0.6
177.16360	0.9
180.07776	3.0
180.09348	1.8
181.08583	1.8
185.09682	0.5
185.13272	1.7
189.00757	0.6
189.12682	0.9
195.01646	0.7
195.10146	18.6
195.11707	2.9
195.13814	2.1
198.10408	0.5
200.02277	0.7
200.12389	0.4
204.07330	0.7
207.13765	0.5
213.05594	0.6
213.07719	1.3
213.10939	4.5
213.12769	3.5
213.16461	0.8
222.08311	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1118
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03920	0.6
55.01860	1.0
55.05504	0.9
57.03435	0.7
62.13800	0.4
62.84778	0.4
67.05482	1.5
68.99763	0.5
69.03403	0.6
69.07064	0.5
70.00804	2.5
71.04959	0.5
73.37234	0.4
77.03933	0.5
77.56934	0.4
78.04695	1.7
79.05060	0.6
79.05487	7.8
81.07033	1.5
85.06514	0.5
91.05476	3.8
93.07024	1.2
95.04967	2.6
95.08591	0.7
98.97560	0.4
103.05450	6.5
105.07030	5.9
106.04153	0.9
107.04944	51.9
107.08569	1.7
108.05260	0.4
115.05434	3.0
117.06979	1.5
119.04929	0.6
120.05706	1.9
121.06514	0.7
121.10165	1.3
123.04427	6.4
123.08080	0.8
124.05176	3.3
125.05978	1.8
129.06978	0.5
131.04897	2.2
133.06474	0.6
135.08043	14.3
137.05971	1.0
139.03889	0.8
139.05403	0.5
142.07809	0.4
143.08582	1.0
145.07513	1.1
147.04399	1.3
149.05962	1.0
149.09639	0.5
150.03127	0.8
151.03867	1.7
152.04697	1.4
154.06244	2.1
155.08549	0.9
157.06438	0.8
157.10124	0.8
163.07533	27.0
165.05443	0.6
165.06932	0.7
167.07022	100.0
168.07378	1.0
171.11742	0.5
177.09094	0.6
180.07803	2.9
180.09273	0.7
181.08485	0.5
185.05943	0.8
185.13252	0.9
195.10150	18.3
195.11696	1.9
195.13681	0.6
213.05423	2.8
213.10962	4.3
213.13007	2.3
224.95102	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1119
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
50.58842	0.3
51.02380	0.3
53.03942	0.3
55.01864	0.7
55.05495	1.0
56.96558	0.6
57.03429	0.5
57.07053	0.4
65.03914	0.5
67.05505	1.1
69.03431	0.6
69.07062	0.5
69.72031	2.2
70.06591	0.4
71.05002	0.5
78.04706	1.4
79.05486	7.3
81.07039	1.6
83.08649	0.4
85.02885	0.4
85.06562	0.4
91.05478	3.2
93.03378	0.4
93.07035	1.4
95.04945	3.2
95.08592	0.5
97.02857	0.4
98.97606	0.5
99.04456	0.3
103.05463	7.0
105.07022	5.7
106.04160	0.8
107.04946	50.0
107.08585	1.1
108.05280	0.5
109.02879	0.4
109.06535	1.2
109.10135	0.4
110.03622	0.6
111.04412	0.6
115.05452	3.0
116.98608	0.3
117.07025	1.1
119.08582	0.6
119.18030	0.3
120.05743	2.1
120.43208	0.3
121.02802	0.3
121.06520	0.8
121.10144	0.7
122.03649	0.5
123.04418	4.8
123.08100	0.5
124.05186	3.4
125.06029	1.9
128.06203	0.4
129.06987	0.5
131.04932	1.9
131.08517	0.5
133.06490	1.2
134.03589	0.4
135.04376	0.6
135.08040	14.9
137.05959	1.7
139.03961	0.7
139.07524	0.4
139.10190	0.3
140.04652	0.5
142.07777	1.1
143.08563	1.2
145.02837	0.4
145.07596	0.7
147.04330	1.6
149.05923	1.2
149.09601	1.1
151.03885	1.8
152.04657	2.3
153.01808	2.0
153.05452	0.6
153.09070	0.5
154.06245	2.4
155.08521	0.7
157.06462	0.5
157.10133	1.9
163.07532	28.6
165.05519	0.8
165.06950	1.1
167.07025	100.0
168.07376	1.1
169.10124	0.4
170.10838	0.5
171.08078	0.5
177.09109	1.1
180.07817	3.0
180.09372	1.1
185.09578	0.8
185.13226	1.0
195.10156	19.6
195.11697	2.4
207.98543	0.4
213.05511	0.8
213.09087	0.6
213.11180	4.8
213.13083	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0756
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
50.23646	1.5
53.03958	2.6
55.01862	5.0
55.05499	6.2
56.96562	14.9
57.03419	2.2
57.07051	3.1
59.73883	1.6
61.02928	11.5
65.03932	6.5
67.05493	6.9
69.03426	4.4
69.07067	7.4
70.06589	5.3
71.04969	3.5
71.57982	1.8
71.58401	2.3
73.02918	2.1
76.49801	1.7
79.05496	19.9
80.81726	1.9
81.03412	2.4
81.07045	9.6
83.04979	2.9
83.06071	2.0
83.08609	2.7
84.04505	1.7
85.02861	4.3
85.32445	1.7
88.07616	4.5
91.05492	16.1
93.03413	3.4
93.07033	5.0
95.04969	10.4
95.08588	5.9
96.05624	1.8
97.06506	4.0
98.97581	5.0
99.04449	1.9
99.05583	1.8
99.08096	1.8
103.05469	2.8
105.07043	5.4
107.04947	36.8
107.08596	6.1
108.02101	4.6
109.02921	2.9
109.06514	4.3
109.10143	2.6
110.03664	24.4
111.04440	20.1
111.08024	2.9
116.98597	3.7
119.04964	16.6
119.08560	3.3
121.02935	2.3
121.06487	13.9
121.10120	5.8
122.03635	5.2
123.04440	2.7
123.08107	2.8
124.05193	2.0
125.05994	76.5
125.09602	1.9
126.06508	1.6
128.06216	3.5
128.14835	1.6
129.06985	6.0
130.96318	1.7
131.08577	5.3
133.02864	12.5
134.99638	4.6
135.04410	36.2
135.08040	4.4
137.05991	6.2
139.03893	5.8
140.08171	3.0
141.05429	4.0
141.06998	2.1
142.07780	4.2
143.08565	12.7
147.04372	2.5
148.97369	7.3
149.05988	29.7
149.09590	3.8
150.03136	10.4
151.03908	100.0
151.05006	8.0
153.01831	7.4
153.05466	36.3
154.06078	4.1
155.08530	9.0
156.09293	2.8
157.06511	5.3
157.10201	10.1
161.01332	2.7
162.03117	1.8
163.03908	10.4
163.07504	3.5
165.05476	49.8
165.06989	10.6
167.03427	3.6
167.07047	34.1
167.08539	4.3
169.10074	4.5
171.08073	5.7
171.11667	2.6
174.00760	2.7
177.00713	2.8
177.05469	21.4
180.09360	8.1
181.04987	2.4
185.09645	2.5
185.13199	11.1
189.01958	2.1
189.97658	3.1
191.02927	2.7
195.06508	23.4
195.08170	2.7
195.10150	2.0
195.11708	24.3
195.13516	3.2
198.10318	2.8
202.76521	1.7
207.98740	2.5
213.05478	5.0
213.07518	10.9
213.09279	7.3
213.12801	27.2
213.16034	2.7
213.18542	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	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
52.02541	1.5
55.01850	2.1
55.05510	16.9
57.03426	5.7
57.07060	4.9
59.04990	10.5
61.29151	1.7
67.05228	1.8
67.05505	20.9
69.03420	9.4
69.07067	27.3
71.03891	5.5
71.04990	43.1
79.05497	8.4
81.00597	1.9
81.07056	37.8
83.04973	9.7
83.08610	16.1
85.06542	22.5
91.05458	6.5
91.19823	1.9
93.07047	28.0
95.04952	5.3
95.08606	51.6
97.06536	19.5
97.10146	3.5
99.04438	7.8
99.08103	11.2
105.07031	12.2
107.08591	34.8
109.06516	11.2
109.09456	3.2
109.10152	49.1
111.08080	5.2
111.11713	2.6
115.07581	11.5
119.07783	2.9
119.08577	32.4
121.09312	2.2
121.10142	23.7
123.04433	11.0
123.08059	12.5
123.11700	69.5
125.09614	11.7
125.46872	1.6
127.07573	9.7
127.11119	1.9
128.17325	1.8
133.10126	33.7
135.11688	86.2
137.05943	5.6
137.09596	14.5
137.13243	5.5
139.03889	2.2
139.11153	2.3
141.09122	2.4
141.12724	7.3
147.11662	4.8
149.05992	2.3
149.13240	11.0
151.03891	1.9
151.07457	2.7
151.11223	3.5
151.14803	5.6
153.12747	17.7
153.87018	1.6
155.08643	1.8
155.10675	8.8
165.16454	2.0
167.07005	10.1
167.14259	3.7
175.14819	50.1
179.07076	6.9
181.08586	1.9
193.04929	3.0
193.08594	12.8
193.15897	22.5
203.65135	1.6
211.09589	10.5
211.16919	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
52.86481	0.8
55.01850	0.8
55.05262	1.0
55.05507	11.7
56.96560	1.4
57.03403	1.1
57.07077	4.0
59.04979	2.1
60.94903	0.7
67.05499	23.6
69.03420	9.0
69.07063	16.1
69.46025	6.7
70.89587	0.8
71.04997	4.8
71.08620	1.2
79.05490	4.8
81.03411	1.0
81.06580	1.3
81.07052	26.5
83.04974	11.0
83.08615	8.9
85.06540	5.1
87.08091	1.0
91.05470	4.8
93.07037	12.0
93.77518	0.7
95.04961	1.9
95.08601	41.3
96.34071	0.9
97.06503	1.3
97.10165	2.6
99.04533	0.7
99.08096	4.4
103.05442	0.8
105.07024	8.1
107.08588	23.9
109.06515	12.6
109.10149	100.0
110.10483	0.8
111.08073	3.7
113.05944	0.8
113.09631	2.0
119.08571	24.2
121.10135	9.9
123.04484	1.5
123.08065	13.7
123.11705	10.1
125.09634	2.6
133.10118	19.9
133.11075	1.4
135.11681	72.1
137.06020	1.2
137.09596	15.2
138.10439	0.8
139.11195	2.0
147.11682	0.9
149.06090	0.7
149.13252	5.8
151.11176	11.4
151.14796	12.5
153.12756	2.7
161.63068	0.7
165.16330	3.5
167.07033	5.2
170.05766	2.1
175.14824	23.7
179.07027	3.1
193.15872	19.9
211.15144	1.0
211.16867	4.0
219.84111	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.02382	0.6
53.03942	1.3
55.01856	1.7
55.05507	18.3
56.96553	1.8
57.03420	2.4
57.07073	3.8
59.05004	3.0
65.03925	1.0
66.92455	0.6
67.05500	30.9
69.03422	10.3
69.07064	18.7
70.02001	2.6
71.04982	6.1
71.08615	1.8
77.03907	0.6
79.05482	9.8
81.03411	15.2
81.07050	31.0
83.04977	19.3
83.08609	14.6
85.02879	0.7
85.06534	5.5
85.10163	0.5
87.08093	0.9
91.05468	10.3
93.07033	14.4
95.04963	8.2
95.08597	41.1
97.02885	0.5
97.06536	2.9
97.10155	4.2
98.21447	0.7
99.08083	4.9
103.05452	1.7
104.98930	0.7
105.03403	0.8
105.07017	11.4
107.04959	1.3
107.08582	24.5
109.06510	14.3
109.10146	100.0
110.10493	1.2
111.04398	0.9
111.08092	5.7
113.09624	1.8
119.06089	0.6
119.08571	24.8
121.06518	2.8
121.10134	12.2
121.11012	0.8
123.04420	5.1
123.08054	14.7
123.11694	10.1
125.09636	2.6
127.07488	0.8
127.11178	1.6
129.06944	1.2
131.08548	2.0
133.06479	1.2
133.09099	1.1
133.10114	20.9
135.11676	65.2
136.11992	1.1
137.05998	3.1
137.09608	16.2
139.11156	2.3
147.11674	4.8
149.05959	4.0
149.09579	1.3
149.13240	6.3
151.03976	1.2
151.07523	2.1
151.11176	10.1
151.14812	12.4
153.12726	2.4
155.08556	1.2
155.72177	0.6
157.10107	3.1
161.23740	0.5
165.05365	0.6
165.09172	0.7
165.12750	1.4
165.15170	0.6
165.16385	2.5
166.06229	0.7
167.07014	17.5
169.10260	0.7
175.11269	2.9
175.14803	25.1
179.07036	8.0
181.08563	3.2
181.98853	0.6
190.84570	0.5
193.08563	1.1
193.12227	10.2
193.15868	22.4
194.12531	0.6
211.07761	0.7
211.09579	2.8
211.13142	3.6
211.15207	0.8
211.16870	4.1
231.83733	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.55928	1.0
55.05510	9.3
57.07060	4.0
59.04981	1.9
67.05501	23.2
69.03426	8.3
69.07063	15.7
69.50085	5.8
69.50496	2.5
71.04980	4.3
71.08626	1.6
79.05476	2.8
81.07054	24.9
83.04971	12.9
83.08612	10.2
85.06547	4.3
91.05460	4.5
93.07037	10.6
95.04967	2.0
95.08598	39.1
97.06528	2.4
97.10162	3.0
99.08080	4.4
104.99986	1.1
105.07011	4.9
107.07869	1.4
107.08586	23.6
109.06505	12.9
109.10149	100.0
111.08079	3.2
113.00990	1.0
113.09599	2.3
119.08580	24.6
121.10123	12.5
123.08064	15.6
123.11705	8.9
125.09615	2.2
133.10118	18.5
135.11682	77.9
137.09618	18.6
139.11163	2.3
147.02383	1.0
149.13257	7.2
151.11194	13.7
151.14812	13.3
153.12721	3.5
165.16373	2.4
175.14818	27.5
193.15863	26.9
211.16919	3.7
220.84033	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
55.01862	0.8
55.05507	3.5
56.96581	0.4
57.03424	0.8
57.07065	0.9
59.04993	0.9
65.03937	0.4
67.05499	6.6
69.03419	1.9
69.07062	4.3
71.00375	0.7
71.04994	2.4
71.08630	0.4
76.58431	0.2
79.05480	2.7
81.03414	1.6
81.07050	7.8
83.04974	2.8
83.08615	2.3
85.02895	0.3
85.06529	1.0
90.03436	3.6
91.04227	0.7
91.05476	3.2
93.07038	5.1
95.04953	2.6
95.08601	9.5
96.95377	0.3
97.06520	1.4
97.10158	0.8
99.04446	0.8
99.08092	1.1
100.99692	1.6
103.05485	0.8
103.92822	0.3
105.07017	4.5
107.04926	0.5
107.08582	6.1
109.02858	0.4
109.06506	3.4
109.10145	19.4
110.10496	0.3
111.04453	0.3
111.08078	1.3
113.09615	0.4
115.05422	0.4
115.07591	0.7
118.04160	0.5
119.04949	1.3
119.08575	6.4
121.02826	0.3
121.06501	1.2
121.10144	3.5
121.53223	0.3
123.04418	10.9
123.08065	4.3
123.11704	3.7
123.48784	0.3
124.04694	0.4
125.09630	1.0
127.01402	0.9
127.07542	0.3
127.11180	0.3
128.00761	100.0
129.01147	1.8
129.01472	1.6
131.06030	0.3
132.05536	0.5
133.06488	1.5
133.10121	5.2
135.08069	0.4
135.11682	17.9
137.05960	2.0
137.09604	4.3
137.13199	0.3
138.10362	0.3
139.11182	0.7
143.01862	1.8
146.01822	1.4
146.07138	0.5
147.04425	1.3
147.11664	1.1
149.06021	1.2
149.09615	0.4
149.13229	1.7
150.06723	0.6
151.03909	0.7
151.07527	6.5
151.11166	2.7
151.14795	2.2
153.00293	0.3
153.12715	1.1
155.10677	0.3
157.10121	0.4
161.05925	0.3
161.07132	0.6
163.14868	0.4
165.09105	0.7
165.12738	0.6
165.16441	0.8
166.06215	0.3
167.01855	0.7
167.07034	7.0
167.14378	0.3
168.07527	0.3
169.03430	1.3
170.02914	4.0
175.13307	0.3
175.14815	6.8
179.07018	27.4
180.07407	0.8
181.08585	0.9
193.08562	2.1
193.12257	0.6
193.15871	5.0
194.02864	1.2
211.05580	18.6
211.09651	4.6
211.13203	0.7
211.16925	2.1
212.05893	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75455	1.3
55.01865	1.6
55.05506	15.7
57.03415	1.4
57.07064	4.7
59.04987	4.3
60.31647	1.4
67.05502	40.6
69.03430	8.0
69.06786	1.4
69.07069	15.8
70.04357	1.4
70.27174	1.4
71.03861	2.9
71.04977	6.1
77.84663	1.6
79.05496	7.0
81.03394	2.4
81.07051	30.4
83.04982	13.8
83.08611	9.2
85.02834	1.5
85.06539	8.2
91.05476	8.0
91.05943	1.4
93.07050	17.2
95.04954	5.5
95.08601	74.7
97.06519	3.2
97.10166	1.9
97.84814	1.3
99.08083	3.9
99.19276	1.4
101.06039	1.8
105.07019	11.3
107.08591	23.7
109.06525	8.6
109.10150	100.0
109.49953	1.5
111.08081	6.5
113.09655	1.6
115.07562	13.6
119.08578	23.1
121.10144	8.5
123.04414	8.1
123.08077	9.6
123.11684	10.0
125.09634	5.8
133.10117	19.8
135.11679	51.7
137.06030	3.4
137.08527	3.0
137.09596	51.4
139.11150	2.9
145.05545	1.5
147.11688	4.3
149.13278	4.0
150.10445	1.9
151.07556	4.5
151.11189	10.0
151.14818	5.3
153.12773	2.6
163.14813	3.0
165.09145	1.8
165.16345	2.5
167.07030	7.7
167.13971	1.5
170.49686	1.4
173.13298	1.6
175.14835	28.8
179.07008	15.6
181.08705	1.7
193.15892	57.9
211.09615	3.9
211.16931	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	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03920	1.2
55.05504	8.2
57.03423	1.6
57.07042	2.4
59.04979	2.3
64.43433	0.7
67.05173	1.1
67.05503	16.2
69.03408	1.0
69.07065	11.9
69.61514	5.3
71.04987	3.9
77.03915	0.8
79.05493	5.1
81.07048	17.2
83.04961	1.8
83.08610	8.3
85.06513	2.2
91.05466	3.3
93.07038	10.9
95.04964	1.4
95.08600	100.0
96.08912	1.5
96.40658	0.7
97.06522	3.0
97.10162	1.5
99.04433	1.8
99.08073	1.2
101.06011	2.6
105.06997	4.7
107.08586	15.8
109.06524	1.7
109.10151	24.8
111.08041	2.5
115.07546	8.6
119.08566	9.9
121.10122	8.8
123.08067	2.1
123.11695	9.9
125.09628	1.4
133.10098	10.2
133.77010	0.8
135.11684	18.4
137.09608	7.9
137.13226	2.3
139.11188	6.2
147.11662	3.6
149.13255	6.4
151.11179	1.8
151.14780	1.3
153.12677	1.2
159.90669	0.8
163.14809	19.7
165.16374	2.0
167.07007	2.0
175.14827	18.6
181.15857	4.3
192.20079	0.8
193.14200	1.8
193.15871	24.7
201.45999	0.8
211.16919	57.0
212.17323	0.9
224.62355	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.02379	0.6
53.03926	1.6
55.01854	1.3
55.05509	6.4
57.03425	1.3
57.07048	1.4
58.50200	0.6
59.06121	0.6
65.03915	1.6
67.05499	11.2
68.99772	0.8
69.03401	2.0
69.07074	5.9
71.04984	6.3
71.60148	0.9
77.03903	0.8
78.04682	1.2
79.05068	0.8
79.05489	10.5
81.03415	1.5
81.06586	1.2
81.07050	20.7
82.07371	0.6
83.04975	3.3
83.08620	3.7
85.06551	3.4
91.05476	10.2
93.07038	25.0
95.00545	0.5
95.04965	9.0
95.08601	28.4
95.20540	0.5
96.08896	0.6
97.06507	2.1
97.10137	0.6
98.10441	0.5
99.04454	0.8
99.08089	4.0
103.05499	3.3
105.07024	14.5
106.04169	0.6
107.04957	1.9
107.08589	24.7
108.05724	0.9
108.08891	0.6
109.02885	1.3
109.06493	4.0
109.10147	20.2
110.03620	1.6
111.04445	1.0
111.08062	1.9
115.05415	0.9
115.07595	0.7
117.06968	0.9
118.04161	2.6
119.04960	5.1
119.08581	11.4
121.02844	0.7
121.06504	4.4
121.10136	7.0
123.04420	42.2
123.08038	5.4
123.11685	9.3
124.05055	0.8
125.05969	0.7
125.09615	3.5
127.03847	0.6
129.06966	0.7
133.06476	5.9
133.10117	10.1
135.04367	1.1
135.08064	1.4
135.11682	41.6
136.05153	0.7
136.11942	0.7
137.05943	4.4
137.09595	3.4
137.13214	1.2
147.04379	4.5
147.11685	3.8
149.05991	6.0
149.13245	4.8
150.06744	2.2
151.03941	3.1
151.07536	26.2
151.11182	2.8
151.14851	0.6
152.07893	0.7
153.12802	2.9
155.08554	1.0
161.05959	1.7
161.07106	1.5
163.14812	48.1
164.14992	0.8
165.05443	0.7
165.09155	3.1
165.12827	1.3
165.16414	0.9
166.06152	0.9
167.07036	23.2
167.14343	1.1
167.81169	0.6
171.57507	0.7
175.14832	15.1
179.07021	100.0
180.07382	3.6
181.08606	5.8
181.15852	3.8
183.06445	0.6
183.07924	0.7
185.80499	0.6
193.08574	6.7
193.12256	1.3
193.15919	6.0
196.07326	0.6
196.08928	0.6
211.07600	1.1
211.09573	16.1
211.11137	1.5
211.13115	1.0
211.16930	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	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03931	0.5
55.01846	0.4
55.05507	5.7
56.96563	9.4
57.03438	0.5
57.07057	2.2
59.04983	0.8
62.84172	0.4
63.54037	0.3
67.05503	15.2
69.03416	0.9
69.07067	3.6
70.77575	1.3
71.04990	2.1
77.43219	0.3
79.05481	1.6
81.03413	0.8
81.07050	8.6
82.58060	0.4
83.04977	28.7
83.08619	4.9
84.96030	1.4
85.06521	1.1
91.05473	1.8
93.07037	7.2
95.04955	1.7
95.08606	9.9
97.99170	1.9
99.04462	0.6
99.08105	0.4
105.07049	2.3
107.08585	6.6
109.06523	1.9
109.10150	100.0
110.10503	1.1
111.08031	0.8
113.09618	2.6
116.00192	2.5
119.08578	5.0
121.10146	1.2
123.04431	0.7
123.08068	1.2
123.11703	1.4
125.09623	0.8
127.11164	1.4
128.70900	0.4
133.10139	2.7
134.01335	0.7
135.11682	7.4
137.05963	2.5
137.09616	6.2
139.01834	0.4
147.04532	0.4
147.11717	0.9
149.13284	1.1
151.11205	1.1
151.14807	0.8
153.06880	0.5
153.12805	0.4
155.08577	0.8
155.10666	1.6
165.12767	1.4
167.07033	1.0
169.10120	1.8
173.11668	2.4
175.14822	8.0
181.10155	1.1
182.10883	0.5
193.12216	0.7
193.15910	3.2
196.12589	0.7
199.11588	0.5
211.07686	0.4
211.09497	0.4
211.11383	0.8
211.13080	0.5
211.14847	3.2
211.16826	0.7
234.95488	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26347	0.8
53.03940	4.3
55.01867	6.6
55.05505	40.0
56.96562	18.6
57.03434	11.0
57.07069	4.9
59.04978	2.8
65.03911	1.3
67.05498	34.7
69.03417	12.9
69.06728	1.3
69.07058	17.1
70.59394	3.0
71.04643	0.9
71.04987	9.5
71.08596	3.5
73.06532	1.2
73.28127	0.9
78.04636	1.2
79.05485	31.8
81.03410	100.0
81.07049	44.9
83.04974	47.9
83.08610	37.3
84.96016	2.2
85.02842	3.0
85.06543	7.2
85.10172	1.1
91.05473	35.5
93.07036	23.1
95.04958	38.5
95.08598	29.3
97.02841	3.9
97.06528	6.3
97.10164	9.5
97.99149	2.5
99.04392	3.6
99.08042	2.6
99.18130	0.9
102.96994	1.5
103.05441	1.3
104.52053	1.0
105.07023	26.4
106.04128	1.8
107.04955	8.4
107.08589	15.4
109.02866	1.3
109.05923	0.9
109.06503	10.3
109.10149	25.8
111.04411	3.5
111.07381	1.0
111.08071	16.8
113.05978	1.6
115.05419	2.6
116.00237	5.3
116.00914	1.3
117.06955	1.1
119.04889	3.9
119.08570	24.0
121.06493	5.7
121.10139	12.3
122.03525	1.1
123.04408	9.3
123.08058	8.4
123.11677	6.7
125.05918	1.0
125.09537	3.6
127.03851	0.9
129.06166	1.2
129.06999	15.4
131.08556	14.2
133.06479	5.9
133.09106	1.1
133.10106	17.8
134.01218	1.8
135.11674	13.6
137.05966	22.6
137.09601	5.9
137.13191	1.5
141.06931	1.4
142.07697	3.8
147.04311	2.8
147.07965	4.0
147.11668	18.4
149.05952	4.4
149.09612	8.0
149.13165	2.3
151.07483	6.4
151.11087	3.3
151.14783	2.3
153.12596	1.3
155.08463	2.6
157.10124	19.3
163.11214	1.0
164.97061	1.3
165.08975	1.2
165.12700	4.2
166.06163	0.9
166.87323	1.0
167.07039	33.9
167.08405	1.4
167.10562	1.1
168.07347	2.2
169.10054	3.3
170.05663	4.2
175.09798	1.3
175.11183	23.6
175.14758	5.9
179.07053	17.3
181.08516	3.0
181.09982	1.5
183.11537	1.6
193.08469	2.3
193.12230	63.1
193.15826	4.5
211.07413	2.8
211.09552	5.0
211.11227	2.3
211.13162	30.3
211.14798	3.4
211.16745	2.7
211.20497	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	211.1327
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
52.26347	0.8
53.03940	4.3
55.01867	6.6
55.05505	40.0
56.96562	18.6
57.03434	11.0
57.07069	4.9
59.04978	2.8
65.03911	1.3
67.05498	34.7
69.03417	12.9
69.06728	1.3
69.07058	17.1
70.59394	3.0
71.04643	0.9
71.04987	9.5
71.08596	3.5
73.06532	1.2
73.28127	0.9
78.04636	1.2
79.05485	31.8
81.03410	100.0
81.07049	44.9
83.04974	47.9
83.08610	37.3
84.96016	2.2
85.02842	3.0
85.06543	7.2
85.10172	1.1
91.05473	35.5
93.07036	23.1
95.04958	38.5
95.08598	29.3
97.02841	3.9
97.06528	6.3
97.10164	9.5
97.99149	2.5
99.04392	3.6
99.08042	2.6
99.18130	0.9
102.96994	1.5
103.05441	1.3
104.52053	1.0
105.07023	26.4
106.04128	1.8
107.04955	8.4
107.08589	15.4
109.02866	1.3
109.05923	0.9
109.06503	10.3
109.10149	25.8
111.04411	3.5
111.07381	1.0
111.08071	16.8
113.05978	1.6
115.05419	2.6
116.00237	5.3
116.00914	1.3
117.06955	1.1
119.04889	3.9
119.08570	24.0
121.06493	5.7
121.10139	12.3
122.03525	1.1
123.04408	9.3
123.08058	8.4
123.11677	6.7
125.05918	1.0
125.09537	3.6
127.03851	0.9
129.06166	1.2
129.06999	15.4
131.08556	14.2
133.06479	5.9
133.09106	1.1
133.10106	17.8
134.01218	1.8
135.11674	13.6
137.05966	22.6
137.09601	5.9
137.13191	1.5
141.06931	1.4
142.07697	3.8
147.04311	2.8
147.07965	4.0
147.11668	18.4
149.05952	4.4
149.09612	8.0
149.13165	2.3
151.07483	6.4
151.11087	3.3
151.14783	2.3
153.12596	1.3
155.08463	2.6
157.10124	19.3
163.11214	1.0
164.97061	1.3
165.08975	1.2
165.12700	4.2
166.06163	0.9
166.87323	1.0
167.07039	33.9
167.08405	1.4
167.10562	1.1
168.07347	2.2
169.10054	3.3
170.05663	4.2
175.09798	1.3
175.11183	23.6
175.14758	5.9
179.07053	17.3
181.08516	3.0
181.09982	1.5
183.11537	1.6
193.08469	2.3
193.12230	63.1
193.15826	4.5
211.07413	2.8
211.09552	5.0
211.11227	2.3
211.13162	30.3
211.14798	3.4
211.16745	2.7
211.20497	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	211.1326
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03943	5.8
55.01868	6.0
55.05511	39.5
56.96562	3.2
57.03430	8.6
57.07076	2.8
60.90358	1.9
61.52020	2.1
65.03957	2.8
67.05501	40.8
67.93606	2.1
69.03431	13.8
69.07061	17.0
71.04985	7.1
74.90001	2.2
79.05489	31.6
79.59110	1.9
81.03417	100.0
81.07054	49.9
83.04977	54.9
83.08611	38.5
91.05482	32.6
93.07027	24.7
94.20462	2.3
95.04969	37.4
95.08609	30.3
97.02903	4.9
97.06524	4.3
97.10188	12.4
99.04452	2.9
99.08082	2.5
105.07037	26.0
107.04962	7.1
107.08585	13.6
108.86457	2.1
109.06516	9.8
109.10160	35.1
111.04448	4.5
111.08072	17.4
113.88513	2.1
115.05518	4.8
119.08582	24.2
121.06482	2.1
121.10130	10.2
123.04456	2.4
123.08038	10.7
123.11713	5.3
129.07025	10.7
131.08562	13.1
133.06490	4.6
133.10118	17.1
135.11688	21.0
137.09630	8.1
142.07768	3.7
147.08046	4.9
147.11649	13.8
149.09605	6.6
151.07588	2.9
151.11136	3.4
151.14769	3.6
155.08501	3.1
157.10098	18.0
165.12694	3.9
167.07080	2.7
170.07808	2.3
175.11223	19.9
175.14810	8.3
193.12245	57.6
193.15877	6.6
211.11269	4.4
211.13242	31.0
211.16843	4.1
229.21881	2.6
229.23795	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	211.0963
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
53.03931	1.0
53.91903	0.3
55.01859	0.7
55.05501	2.3
56.05832	0.4
56.96556	1.0
57.03411	0.4
57.07067	0.3
65.03953	0.4
67.05495	1.3
67.05824	0.3
68.99807	0.3
69.03417	1.0
69.07048	0.6
71.04984	0.5
71.28632	0.6
71.69629	0.3
72.48167	0.3
73.02892	0.3
78.04705	2.7
79.05494	2.4
80.50525	0.3
81.03425	0.5
81.07056	1.9
83.04976	1.3
83.08607	1.0
84.04471	0.3
85.02887	1.2
91.05466	4.0
93.07034	2.3
94.04170	0.6
94.06560	0.4
95.04950	2.9
95.08601	1.5
96.05281	0.4
97.06528	0.6
99.08076	0.5
103.05444	1.1
105.03365	0.6
105.07029	3.2
106.04182	1.5
107.04948	1.5
107.08588	1.1
108.79890	0.3
109.02863	0.6
109.06505	1.4
109.10152	2.0
111.08075	0.7
116.98587	0.5
119.04952	2.1
119.08562	1.3
120.08077	0.3
121.06494	3.2
121.10133	0.9
122.03649	1.5
122.10521	0.4
123.04434	6.7
123.08043	1.0
123.11645	0.6
124.05202	2.5
125.06012	0.5
125.09566	0.3
133.02838	0.6
133.06458	1.4
133.10117	1.2
134.03572	0.4
135.04384	0.4
135.11681	0.9
137.05969	28.2
139.03918	0.4
147.04390	2.9
147.08072	0.3
147.11642	0.5
149.02415	0.5
149.05956	4.2
151.03909	2.4
151.07515	1.8
151.11174	0.8
151.14882	0.4
152.04688	1.7
153.05461	1.1
155.08409	0.3
161.05966	1.4
163.03958	0.5
165.05472	1.5
165.06789	0.5
165.09048	0.5
165.12698	0.3
166.06183	0.4
167.07027	100.0
168.04219	0.3
168.07387	1.6
169.04958	0.7
169.14948	0.5
175.11177	0.4
175.14836	0.9
178.06195	0.4
179.03212	0.4
179.07013	1.9
180.07840	0.4
181.08601	4.0
183.02846	0.9
183.06516	0.6
188.54890	1.0
193.04971	3.5
193.08546	2.0
193.10178	0.4
193.12251	0.9
193.15956	0.4
196.08862	0.4
211.05988	2.0
211.07712	0.5
211.09628	4.3
211.11418	0.6
211.13266	0.4
211.15926	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01797	0.4
55.05453	0.8
56.02156	0.3
56.05000	0.4
56.96505	2.2
60.04469	0.8
67.05449	1.1
69.03393	0.7
69.07062	5.1
70.06589	2.0
71.24003	0.6
72.04442	1.5
79.05468	1.8
81.03369	0.4
81.06979	1.3
83.04919	1.0
85.02859	0.6
91.05467	3.9
93.06966	0.9
94.06515	0.4
94.07332	0.4
95.04908	1.5
97.02838	0.6
97.06470	1.0
103.05457	4.8
105.07027	6.5
106.07339	0.4
107.04963	2.1
109.06471	0.8
110.06849	0.4
110.10441	0.4
116.00199	0.4
117.05691	1.5
117.07005	2.6
118.06552	3.1
119.04872	1.1
119.07309	4.9
119.08524	0.8
120.08105	7.8
121.06465	0.5
122.10432	0.4
123.04359	0.7
128.06177	0.6
129.06998	4.9
130.06509	0.6
131.04939	2.0
131.07272	1.4
134.99646	0.4
135.11630	0.4
137.05972	2.4
140.68036	0.3
143.00194	0.6
144.08115	0.9
146.05943	0.3
146.09639	6.7
147.04396	2.0
149.02364	0.4
149.05940	0.8
150.05415	0.4
151.03879	0.4
152.11478	0.5
154.08556	0.4
161.01180	0.8
163.97745	0.6
164.10701	100.0
165.01811	0.7
165.11041	1.4
167.05591	0.4
167.07011	2.0
167.08334	0.7
168.14574	0.5
174.13608	0.4
178.05772	0.5
179.06888	0.5
181.98752	0.7
182.08098	4.2
182.09520	0.4
183.02942	0.5
186.99298	0.5
189.00810	0.5
192.10219	1.1
192.14731	0.6
195.08052	0.8
210.04065	0.4
210.07706	1.8
210.11299	17.7
210.15652	1.9
211.11313	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
51.08411	1.2
51.51395	1.1
53.03938	1.6
54.25447	1.2
55.01850	4.3
55.05507	61.4
56.31805	1.2
57.03423	1.9
57.07043	1.3
59.04992	2.6
65.03933	1.5
67.05488	6.5
69.03415	6.0
69.07047	4.3
69.38781	2.0
69.39179	11.1
71.05004	5.6
77.51165	1.2
78.67934	1.2
79.05480	5.0
81.07043	11.1
81.23635	1.3
82.06597	1.2
83.04975	50.3
83.08613	31.4
85.06564	2.3
91.05451	4.8
93.07041	8.8
94.78983	1.3
95.04961	100.0
95.08601	6.8
97.06494	3.9
97.10154	5.1
99.04444	17.5
100.11234	3.1
105.07005	4.5
106.04153	2.5
107.08604	16.6
109.06523	6.6
109.10148	16.9
111.04354	1.3
111.08092	7.1
113.26914	1.3
119.08546	1.9
121.06462	4.7
121.10120	8.1
121.25233	1.2
122.07230	1.3
123.08020	2.7
123.11704	8.8
125.09599	7.0
131.08571	2.8
133.10114	21.8
135.08035	6.2
135.11711	1.5
137.09590	12.9
147.11681	1.4
149.05954	5.1
149.09642	2.8
149.13217	6.5
151.09959	1.8
151.11171	32.3
153.09088	27.7
163.07457	1.1
165.12703	2.5
167.14307	52.9
173.13258	6.7
177.05482	3.6
191.14262	7.3
209.08029	1.9
209.15309	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03948	0.9
53.88384	0.8
55.05503	6.0
57.07070	1.5
59.04994	1.3
67.05499	6.8
69.03424	11.1
69.07065	12.6
69.52225	1.9
69.52638	5.9
70.12909	0.9
71.04990	6.6
75.04450	1.0
78.04686	1.0
78.54514	0.8
79.05503	4.9
81.03414	2.1
81.07047	11.2
83.04970	12.0
83.08609	3.9
90.67155	0.9
91.05476	7.5
93.03398	2.8
93.07037	10.0
95.04982	7.1
95.08600	22.7
97.06537	6.5
98.21322	3.2
99.08070	4.4
103.05439	1.1
105.07011	8.1
106.04144	5.6
107.08585	36.2
109.06501	10.3
109.07177	1.4
109.10137	12.1
111.08092	3.7
113.09637	1.2
119.08575	4.3
121.06506	8.3
121.10136	33.2
123.08055	6.3
123.11707	3.1
125.05958	1.7
125.09627	10.5
131.08536	5.2
133.10127	11.3
135.08029	10.9
135.11658	4.9
137.09613	3.8
139.11203	4.5
143.08551	2.6
145.10080	1.5
147.11681	7.0
148.08778	1.5
149.05989	6.4
149.09618	8.9
149.13251	17.5
151.11169	100.0
153.09074	3.2
158.10924	2.5
163.14818	8.6
165.12729	8.7
167.14366	1.2
173.13249	11.2
177.05460	2.0
177.86707	0.9
191.14294	35.4
209.08206	1.0
209.15343	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.57951	1.1
55.01860	1.2
55.05497	5.2
57.07072	2.3
58.09622	1.2
65.03914	1.7
67.05495	3.9
69.03419	5.6
69.07062	3.4
69.30294	3.4
69.30709	8.6
71.04979	1.0
73.87841	1.0
74.76061	1.0
75.16984	1.1
77.20718	1.1
77.41042	1.0
79.05501	8.1
81.07052	19.3
83.04956	1.3
83.08590	2.6
91.05479	8.6
93.07056	4.7
95.04959	3.6
95.08601	5.1
97.06507	2.2
98.20721	2.1
104.20694	1.2
105.07031	11.2
107.04966	2.6
107.08586	32.4
109.06508	30.9
109.10143	10.8
115.05463	3.7
117.07014	4.5
119.05998	1.3
119.08574	5.9
121.06490	2.9
121.10139	20.1
122.07278	7.3
123.08049	5.3
125.09629	1.2
131.08569	3.3
133.10124	100.0
135.08044	25.5
135.11671	2.0
137.09607	78.4
138.09959	1.7
145.10109	1.4
147.11694	3.0
149.09714	2.6
149.13246	16.8
151.11169	4.1
153.09067	1.8
163.14871	3.9
173.13257	8.3
179.65143	1.0
191.14252	9.5
207.16351	1.2
209.15416	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03945	4.2
55.01862	6.8
55.05519	14.9
57.03432	5.0
57.07063	4.8
59.05003	13.9
67.05499	25.4
67.61441	3.1
69.03426	9.4
69.07056	20.4
69.78627	19.7
71.04985	12.3
79.05497	24.1
81.07056	59.2
83.04987	27.8
83.08606	9.7
84.85001	2.6
85.06549	21.9
91.05480	21.3
93.07044	61.4
95.04961	16.0
95.08603	58.9
97.06543	16.7
99.08089	11.0
101.05997	3.8
105.07035	25.4
107.04957	10.7
107.08599	100.0
109.06513	25.7
109.09464	3.7
109.10161	52.4
110.56915	2.5
111.08080	7.9
113.09645	3.4
115.37715	3.0
115.57148	2.4
117.06996	5.2
119.08566	14.7
121.06518	20.5
121.10136	58.7
123.08060	35.5
123.11702	7.9
125.05951	4.2
125.09618	15.9
130.12978	2.8
131.08562	26.1
133.10123	51.2
135.08041	36.0
135.11674	10.0
137.09624	9.0
139.07530	5.2
139.11215	3.5
145.10112	8.2
147.11696	16.6
149.05971	5.2
149.09607	54.2
149.13260	56.6
151.11185	67.4
151.12354	5.2
153.09103	17.4
158.10919	5.7
162.01912	2.6
163.11205	5.9
163.14798	30.1
173.13264	39.8
191.14307	63.4
209.15359	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01876	2.6
55.05505	11.3
57.03438	4.7
57.07060	4.7
59.05000	6.0
63.78647	1.9
67.05505	17.2
68.99789	2.3
69.03448	4.7
69.07064	18.6
69.72662	11.8
69.73057	2.6
71.04977	9.1
79.05507	14.7
81.07049	31.0
83.04967	20.6
83.08616	8.5
85.06542	8.6
91.05472	13.6
93.07040	40.3
95.04950	10.4
95.08598	29.2
97.06509	11.1
97.10171	2.0
98.21472	3.5
99.08093	24.6
105.07003	17.9
106.34534	2.2
107.04965	7.3
107.08592	56.0
109.06525	13.8
109.10152	27.9
111.08088	13.1
117.06996	2.7
119.08572	9.7
121.06477	16.0
121.09224	2.2
121.10127	44.0
123.08060	19.2
123.11712	6.8
125.05965	8.5
125.09608	14.5
131.08575	18.5
133.10115	26.8
135.08058	24.5
135.11687	6.7
137.09613	12.6
139.07539	6.7
139.11130	5.6
139.12193	2.0
145.10112	7.5
147.11714	12.4
149.09619	100.0
149.13237	33.2
151.11179	58.2
153.09111	12.2
158.10901	3.3
160.31523	2.1
163.11230	4.3
163.14832	14.9
173.13263	26.5
177.05392	2.0
179.33223	2.4
191.14291	39.0
209.15353	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.18945	1.8
53.08054	1.9
55.01862	5.6
55.05513	16.9
55.55242	2.2
57.03422	7.2
57.07076	4.6
58.53278	1.9
59.04988	7.5
61.67998	2.1
67.05502	17.3
68.99782	2.6
69.03430	10.2
69.07063	19.0
69.60764	11.5
69.61179	4.7
70.27965	1.9
71.04980	8.2
79.05496	18.0
81.07055	32.8
83.04975	20.0
83.08611	8.2
85.06547	9.5
91.05478	17.5
93.07044	46.3
95.04944	7.2
95.08608	35.6
97.06522	10.1
97.10172	2.4
98.20746	4.4
99.04455	3.8
99.08088	25.1
105.07038	21.1
107.04925	8.1
107.08592	72.8
109.06512	12.9
109.10152	27.8
111.08093	12.4
119.08601	9.2
121.06495	16.7
121.10136	40.0
123.08086	22.9
123.11714	7.2
125.05982	5.7
125.09633	11.9
125.13223	2.5
131.08562	18.8
133.10127	31.3
135.08049	23.4
135.11694	6.4
137.09637	10.4
139.07512	6.0
139.11185	3.5
145.10164	5.1
147.11697	12.3
149.06033	3.5
149.09618	100.0
149.13258	30.7
151.11185	55.8
153.09084	10.5
154.09842	3.2
158.10963	4.1
163.11121	2.7
163.14778	16.8
173.13258	28.6
177.05620	2.5
191.14310	36.7
209.15358	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	209.1534
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03926	6.6
55.01857	8.8
55.05508	100.0
57.03417	3.3
57.07061	5.8
59.04995	4.7
67.05495	18.5
69.03421	16.5
69.07069	12.8
71.04972	7.2
71.50033	3.6
79.05489	13.7
81.07055	24.0
83.04972	97.4
83.08138	4.0
83.08613	54.5
85.02877	2.3
85.06527	7.3
90.72491	1.9
91.05476	11.9
93.03374	3.9
93.07038	21.2
95.04963	39.8
95.08608	22.4
97.06524	20.6
97.10162	16.3
97.17441	1.9
99.04440	8.1
99.08080	7.9
100.14366	2.0
103.05463	4.5
105.07024	13.6
106.04155	6.0
107.08589	44.6
109.06511	47.3
109.10151	47.4
111.04435	3.0
111.08063	19.2
113.05996	5.3
113.09605	4.5
117.06989	2.5
119.08573	6.3
121.06467	9.9
121.10129	36.1
123.08068	8.2
123.11703	19.2
125.06013	3.1
125.08749	4.1
125.09623	60.9
125.10542	3.8
130.59846	2.3
131.08557	9.6
133.10118	32.2
135.08063	11.0
135.11702	5.4
137.09599	3.2
139.07645	2.4
144.14558	2.3
145.10118	5.3
147.11688	3.8
149.05974	8.8
149.09610	33.9
149.13251	20.1
151.11172	72.9
153.09106	23.8
163.07509	2.8
163.11177	2.3
163.14784	9.0
167.14307	98.3
173.13243	14.6
177.05530	6.4
191.06955	2.7
191.14287	30.2
194.02122	2.5
209.04446	5.7
209.07970	4.1
209.15359	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	209.1535
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03942	4.3
55.01865	3.0
55.05510	100.0
57.03434	4.1
57.07075	3.8
59.05000	5.5
64.64934	2.1
65.03948	2.4
67.05505	12.5
69.03418	7.9
69.07072	6.6
69.62835	7.8
69.63275	9.2
71.04986	7.4
79.05473	6.6
81.07048	15.3
83.04977	77.2
83.08616	59.2
85.06557	5.0
91.05467	6.1
93.07048	20.7
95.04962	44.0
95.08600	9.7
97.06537	10.4
97.10168	14.3
98.21480	4.4
99.04455	8.0
99.08062	4.2
100.48391	2.4
105.07026	8.5
107.08591	38.6
109.06513	33.6
109.10151	34.2
111.08054	12.7
115.79584	2.2
121.06427	3.7
121.10137	51.1
123.08041	2.8
123.11707	13.8
125.09637	14.9
131.08586	3.8
133.10103	15.0
135.04433	2.6
135.08035	8.5
135.11708	3.1
149.02307	3.6
149.05951	2.7
149.13202	11.4
151.11186	65.6
153.09085	15.6
163.03900	2.3
163.14842	9.5
167.14307	93.8
173.13269	7.6
177.05495	2.5
178.93845	2.3
191.14310	12.8
194.02075	6.3
209.04480	24.4
209.15355	62.8
209.17354	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	209.1535
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03933	2.0
55.01858	3.4
55.05509	79.4
57.03427	3.3
57.07054	3.1
59.04990	4.7
67.05505	10.6
69.03431	7.9
69.07067	8.0
71.04645	1.3
71.04983	7.2
71.55830	2.4
79.05476	6.1
81.07052	15.5
83.04978	82.9
83.08614	51.0
85.06535	3.0
91.05478	4.2
93.07031	15.8
95.04966	19.1
95.08600	11.6
97.06529	12.8
97.10171	9.9
99.04437	4.1
99.08070	2.3
105.07019	8.8
107.04942	3.7
107.08585	26.5
108.86806	1.2
109.05785	2.4
109.06513	42.1
109.10148	31.2
111.04454	1.6
111.08083	14.7
112.08844	1.8
113.09625	2.6
119.08553	3.0
119.18990	1.2
121.06481	1.8
121.09313	2.2
121.10137	25.4
123.08042	5.4
123.11703	14.6
125.09623	15.9
131.08539	3.2
133.10117	18.5
135.04390	3.9
135.08008	7.3
138.03130	1.4
139.11160	2.0
145.02727	1.8
145.10097	1.8
147.11626	2.7
148.96391	1.3
149.02341	9.3
149.09579	2.4
149.13268	11.0
151.11180	60.4
152.11383	1.4
153.05429	3.7
153.09088	13.1
158.10838	1.4
161.11507	1.3
163.03877	5.6
163.14786	5.8
166.02574	2.9
167.14311	100.0
173.13240	11.4
177.05446	2.5
181.04973	4.6
191.14307	15.3
194.02092	9.8
206.66681	1.2
209.04436	65.1
209.15363	52.5
209.17334	2.7
210.04689	2.4
228.31099	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03930	2.7
55.01841	2.7
55.05507	88.1
57.03431	1.7
57.07055	1.4
59.04993	3.4
64.37561	1.2
64.45437	1.3
65.03904	1.3
67.05505	7.5
69.03418	6.7
69.07059	6.8
69.56004	9.7
71.04970	3.3
79.05473	5.8
81.07052	12.2
83.04974	90.9
83.08613	55.0
85.06518	3.2
91.05461	4.2
93.07043	14.5
95.04962	21.9
95.08590	10.5
97.06521	9.3
97.10162	10.5
99.04474	2.1
100.85255	1.2
105.07026	5.3
106.04135	1.6
107.07868	1.7
107.08591	30.2
109.06509	17.5
109.10140	29.2
111.08059	13.9
119.08543	2.6
121.10132	39.1
123.08055	2.7
123.11681	11.3
125.09625	16.5
131.08566	2.1
133.10139	10.9
135.08115	1.9
139.11172	1.5
149.13252	9.6
151.09959	2.8
151.11174	58.7
153.09099	8.4
163.14766	5.8
167.14302	100.0
173.13258	4.0
175.75804	1.1
191.14268	7.6
209.15343	47.5
210.15698	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
50.67649	1.3
51.49704	1.2
53.03937	1.8
55.01851	4.4
55.05508	100.0
57.07059	3.2
59.04975	4.1
59.75667	1.3
67.05504	10.0
69.03444	6.7
69.07053	6.9
70.02362	4.5
71.04964	5.0
75.96832	1.4
79.05475	4.2
80.26469	1.3
81.07052	14.2
83.04977	99.2
83.08614	58.2
85.06533	3.4
91.05437	3.8
93.06531	1.7
93.07047	14.8
95.04966	16.8
95.08605	8.6
97.06535	10.2
97.10173	10.8
98.21109	3.6
99.04440	2.0
99.08092	1.6
105.06998	5.2
107.08590	26.4
109.06513	18.9
109.10153	35.0
111.08082	14.3
112.08891	2.1
113.09592	1.9
119.08558	2.2
121.10146	26.1
123.11693	15.4
125.09625	14.7
131.08572	2.5
133.10133	12.4
135.04373	1.4
135.08055	4.5
145.10106	1.6
147.11543	2.0
149.05952	1.7
149.09499	2.0
149.13225	10.4
151.11180	59.0
153.09096	6.1
163.14804	3.6
167.14313	98.5
173.13286	4.4
177.05495	2.1
191.14268	6.8
209.04434	5.2
209.15356	49.4
225.69058	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	Nopyl acetate
Peak:m/z	Relative Intensity
51.24697	2.0
53.03936	3.7
54.53222	1.7
54.54892	1.7
55.01870	2.6
55.05508	97.2
57.03425	2.0
57.07059	2.7
59.04996	4.2
67.05501	9.8
69.03413	7.7
69.07058	10.7
71.03397	5.1
71.04981	4.6
74.88706	1.7
79.05489	6.2
79.56309	2.0
81.07050	15.4
82.06595	2.3
83.04979	68.2
83.08616	63.2
83.09110	3.7
85.06548	5.7
91.05481	6.2
93.07047	31.8
95.04962	53.9
95.08612	9.5
97.06504	9.1
97.10153	11.7
98.21399	2.4
99.04445	13.3
99.08060	2.4
100.11239	7.0
105.07026	9.9
107.08585	39.5
109.06516	14.0
109.10149	30.6
111.08091	13.3
112.08830	2.1
113.09621	3.4
119.08559	4.6
121.10136	100.0
123.11713	14.6
125.09618	18.7
131.08549	5.5
133.10138	14.0
135.08034	3.7
135.11668	4.4
143.81575	1.9
143.88136	1.8
147.11662	2.2
149.05963	2.9
149.13290	10.9
151.11171	67.1
153.09088	24.7
163.14813	17.6
167.14307	99.7
173.13277	8.0
191.14270	15.2
194.02092	3.7
209.04425	10.9
209.15302	58.9
222.10297	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03930	3.6
55.01849	4.5
55.05510	96.2
55.83268	1.3
55.99723	1.4
57.03424	2.3
57.07064	4.0
59.04986	3.4
59.62024	1.4
62.71078	1.6
67.05511	10.5
69.03406	5.7
69.07072	7.9
69.66845	8.9
69.67259	3.2
71.04980	5.0
79.05484	6.9
81.07054	21.3
83.04977	100.0
83.08146	3.0
83.08617	49.1
85.06541	3.6
91.05457	5.6
93.07043	23.5
95.04963	31.9
95.08590	12.5
97.06516	14.4
97.10143	7.2
99.04443	7.1
99.08084	2.7
105.07011	7.0
107.08595	31.3
109.05785	3.4
109.06511	44.8
109.10151	37.4
111.08091	13.9
111.28929	1.6
112.53056	1.5
113.09660	2.2
119.08599	3.3
121.06490	1.6
121.10138	41.2
123.08042	6.5
123.11690	13.6
125.09650	16.8
131.08527	3.6
133.10141	20.8
135.08023	7.1
135.11668	3.5
147.11714	2.0
149.05965	1.9
149.09712	1.6
149.13229	15.1
151.11185	57.6
153.09108	18.6
158.10919	1.7
163.14801	7.6
167.14314	93.9
173.13249	9.2
191.14351	16.0
198.03841	1.5
198.20561	1.4
209.08022	2.5
209.15358	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
50.89476	1.1
53.03933	1.7
55.01869	5.7
55.05508	91.8
57.03424	2.4
57.07051	2.8
59.04982	5.1
67.05503	10.3
69.03432	9.4
69.07057	10.5
69.67136	6.5
69.67548	2.2
71.04996	5.9
77.52760	1.3
79.05493	6.3
81.07053	19.1
83.04975	100.0
83.08611	52.1
85.06525	5.2
86.56727	1.2
91.05475	7.1
93.07032	18.9
95.04964	17.2
95.08597	14.3
97.06514	10.3
97.10165	10.3
98.21248	4.4
99.04442	6.2
99.08087	4.2
103.05436	2.7
105.07027	8.8
106.04182	3.3
107.04931	2.2
107.08589	34.9
109.06506	17.1
109.10155	30.9
111.08075	14.6
113.09629	2.9
119.08554	5.1
121.06492	6.0
121.10132	16.8
123.08039	6.7
123.11700	15.8
125.05971	2.8
125.09620	18.6
126.01070	20.7
131.08556	7.9
133.10123	18.8
135.08051	7.7
135.11678	4.0
137.09624	2.0
139.07526	1.9
145.10107	3.2
147.11659	4.1
148.10039	1.3
149.05963	5.4
149.09627	13.0
149.13246	15.4
151.11174	67.7
153.09084	11.3
158.10826	1.5
163.11200	1.8
163.14816	5.7
165.12706	2.6
167.14304	99.9
173.13239	11.4
175.23689	1.3
177.05386	6.1
179.13080	1.3
181.08658	2.3
191.07042	1.2
191.10818	1.2
191.14299	19.1
209.05861	4.3
209.07935	3.0
209.15358	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03925	1.2
55.01862	2.4
55.05509	6.7
57.03424	3.5
57.07066	2.2
59.04981	2.6
61.37637	0.7
65.03928	1.5
67.05499	7.2
69.03423	1.3
69.07059	5.0
69.66786	6.2
71.04977	4.0
79.05492	12.0
81.03389	0.8
81.07048	23.8
82.29141	0.8
83.04976	5.9
83.08619	6.2
85.06528	3.0
91.05475	7.1
93.03369	1.3
93.07034	16.3
95.04964	22.0
95.08601	9.8
97.05910	1.6
97.06529	31.4
99.04455	5.9
99.08082	1.6
103.05460	1.7
105.06397	1.1
105.07034	10.9
106.04163	4.9
107.04954	1.7
107.08593	19.7
109.06512	100.0
109.10150	23.0
110.06839	1.1
111.08083	4.6
113.06028	1.0
113.09646	1.7
115.07504	0.9
117.07007	1.8
119.08566	5.0
121.06489	8.7
121.10138	20.0
123.04317	0.7
123.08081	6.2
123.11686	3.4
125.05977	1.8
125.09617	3.1
126.01059	5.2
128.82678	0.8
129.06998	1.5
131.08562	10.3
133.10124	46.5
134.03574	1.0
135.08044	12.1
135.11650	3.4
137.05981	1.0
137.09563	1.2
139.07520	1.1
139.11111	1.0
143.08524	1.5
145.10115	3.8
147.11682	2.9
149.06004	8.5
149.09560	3.6
149.13240	6.4
151.11185	4.6
153.09091	27.1
158.10898	2.6
159.04379	1.0
163.14816	5.7
165.12796	1.4
167.14301	4.9
173.11769	1.3
173.13263	19.8
177.05457	3.1
181.08580	1.1
191.14301	27.1
206.59415	0.9
209.06056	1.0
209.07988	2.4
209.11882	1.6
209.15361	39.5
210.15735	1.1
227.45154	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.6
55.01857	8.8
55.05508	100.0
57.03417	3.3
57.07061	5.8
59.04995	4.7
67.05495	18.5
69.03421	16.5
69.07069	12.8
71.04972	7.2
71.50033	3.6
79.05489	13.7
81.07055	24.0
83.04972	97.4
83.08138	4.0
83.08613	54.5
85.02877	2.3
85.06527	7.3
90.72491	1.9
91.05476	11.9
93.03374	3.9
93.07038	21.2
95.04963	39.8
95.08608	22.4
97.06524	20.6
97.10162	16.3
97.17441	1.9
99.04440	8.1
99.08080	7.9
100.14366	2.0
103.05463	4.5
105.07024	13.6
106.04155	6.0
107.08589	44.6
109.06511	47.3
109.10151	47.4
111.04435	3.0
111.08063	19.2
113.05996	5.3
113.09605	4.5
117.06989	2.5
119.08573	6.3
121.06467	9.9
121.10129	36.1
123.08068	8.2
123.11703	19.2
125.06013	3.1
125.08749	4.1
125.09623	60.9
125.10542	3.8
130.59846	2.3
131.08557	9.6
133.10118	32.2
135.08063	11.0
135.11702	5.4
137.09599	3.2
139.07645	2.4
144.14558	2.3
145.10118	5.3
147.11688	3.8
149.05974	8.8
149.09610	33.9
149.13251	20.1
151.11172	72.9
153.09106	23.8
163.07509	2.8
163.11177	2.3
163.14784	9.0
167.14307	98.3
173.13243	14.6
177.05530	6.4
191.06955	2.7
191.14287	30.2
194.02122	2.5
209.04446	5.7
209.07970	4.1
209.15359	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.02370	2.5
53.03932	3.1
55.01868	7.7
55.05511	95.5
57.03436	2.6
57.07063	3.7
59.04999	4.7
63.87452	2.0
65.03938	2.2
67.05514	12.9
69.03423	9.5
69.07059	8.0
71.04987	6.7
73.08385	2.3
78.04731	2.4
79.05492	11.6
81.07057	25.2
81.61518	2.1
82.90072	2.3
83.01350	6.6
83.04980	91.5
83.08620	58.5
84.34122	2.1
85.06542	6.6
91.05477	16.6
93.03400	2.9
93.07037	21.9
95.04975	40.2
95.08595	15.8
97.06536	16.9
97.10155	11.5
97.33769	2.2
99.04470	13.3
99.08076	4.5
103.05473	4.0
105.07007	15.0
106.04175	10.6
107.04925	3.1
107.08591	39.1
107.17315	2.3
109.06519	39.0
109.09456	3.5
109.10158	40.4
111.04463	3.7
111.08079	17.6
113.09676	4.1
115.36719	2.5
119.08569	3.9
120.90983	2.2
121.06501	14.2
121.10140	29.5
123.08091	6.6
123.11700	16.4
125.05944	4.6
125.09599	21.2
126.14715	2.3
131.08560	5.9
133.10126	32.0
135.08006	10.9
135.11633	2.9
137.09624	3.8
139.07545	6.7
145.10092	3.7
147.11687	6.2
149.05966	22.1
149.09593	4.6
149.13246	18.3
151.03795	3.2
151.07603	2.3
151.11182	61.3
153.09087	23.1
162.07430	2.4
163.14796	7.2
165.06947	2.5
167.07040	2.3
167.14323	100.0
173.13254	11.9
177.05495	11.6
181.08678	3.7
181.15906	5.2
191.07037	2.8
191.14331	19.4
209.04445	4.9
209.07954	5.4
209.09669	7.4
209.11644	3.5
209.15355	67.6
209.17357	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	209.0809
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
52.98533	1.1
53.03941	6.4
55.01878	12.0
55.05500	2.7
59.80266	1.1
64.65620	1.1
65.03939	12.9
67.05489	4.3
69.07045	1.8
70.86961	1.1
70.87305	2.2
71.04992	1.6
75.04465	8.4
77.03914	1.3
78.04711	10.3
79.05485	9.0
81.03413	3.1
81.07046	3.1
83.04967	3.2
83.08599	1.6
85.02895	7.8
89.03917	6.2
89.06000	2.7
91.05475	42.6
91.84049	1.0
93.03406	26.4
93.07041	17.2
94.04227	1.4
95.04961	23.3
95.08598	2.5
96.05745	1.2
97.06538	10.6
103.05470	18.7
105.03388	2.5
105.04507	2.8
105.07011	3.4
106.04170	83.7
107.04945	4.4
107.08572	2.6
108.05730	1.7
109.06525	8.5
109.10168	2.5
110.03687	1.3
111.04420	1.8
111.08071	1.3
117.03339	5.8
118.04161	2.2
119.04932	4.0
121.06499	88.4
121.10103	2.4
122.03656	1.7
123.04402	4.5
123.08071	2.5
124.05217	2.9
125.05987	21.8
131.04935	6.1
133.02873	2.1
133.06363	1.5
133.10083	2.4
134.03624	12.9
135.04381	2.7
135.08055	2.5
137.05997	13.2
137.09560	1.3
138.06740	3.7
139.07535	6.1
145.02843	6.0
147.04398	1.2
148.05206	9.1
149.05978	100.0
149.09618	4.1
149.13316	1.6
151.03940	2.3
151.07535	3.7
151.11174	2.6
153.05516	6.6
153.09079	25.2
159.04465	2.3
163.03862	2.2
163.07565	4.6
163.14891	1.5
165.05466	1.5
166.06235	3.8
167.07060	2.0
176.04663	1.5
177.05464	45.5
181.08597	22.1
190.93231	1.4
191.07037	5.6
191.14287	2.5
209.04333	1.9
209.06268	1.9
209.08073	24.0
209.15257	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	209.0442
Annotation	6,8-Dihydroxy-7-methoxycoumarin
Peak:m/z	Relative Intensity
55.01868	1.7
55.05300	0.3
55.05507	3.0
57.03411	0.5
65.03914	0.6
67.05482	0.8
69.03404	0.4
69.07039	0.9
71.04984	0.4
71.12769	0.4
71.13353	0.5
71.13666	0.5
79.05476	1.6
81.03380	0.3
81.07059	1.6
82.04196	1.1
83.04976	3.6
83.08599	1.6
89.03857	0.4
91.05460	2.0
93.03381	0.5
93.07035	1.6
95.04961	3.5
95.08557	0.5
97.06500	1.1
99.04486	0.4
103.05478	0.6
105.03374	0.6
105.06998	0.9
106.04129	0.7
107.04286	0.5
107.04948	7.1
107.08578	2.5
107.32230	0.3
109.06506	3.0
109.10149	1.8
110.03640	1.1
111.08068	0.9
117.03338	0.5
119.04913	0.7
119.08553	0.9
121.02822	2.1
121.06491	1.2
121.10133	3.3
123.08049	0.5
125.05988	0.6
125.09603	0.7
126.00745	0.3
131.08521	0.4
133.02843	0.5
133.10120	1.6
135.04404	6.8
135.08035	0.8
138.03123	2.6
142.37946	0.4
143.00096	0.4
145.02779	0.6
145.10106	0.5
147.04379	1.6
149.02328	20.4
149.05984	2.0
149.09595	0.9
149.13219	0.9
150.03088	0.5
151.11166	2.2
153.01753	0.6
153.05449	8.2
153.09093	1.5
155.01631	0.3
161.01184	0.6
163.03893	10.0
163.07603	0.4
163.11154	0.3
163.14809	0.8
165.05461	0.9
166.02620	5.6
167.06972	0.4
167.14317	2.6
173.13245	1.0
177.01811	1.4
177.05397	1.9
181.04938	5.2
181.08530	0.4
191.07089	0.5
191.14299	1.4
194.02092	18.8
195.02579	0.4
209.04431	100.0
209.15324	4.0
210.04874	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1743
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03922	1.4
53.57879	1.2
55.05501	7.5
57.03427	4.3
57.07055	3.7
59.04992	1.3
60.01193	1.2
65.03929	1.4
67.05493	12.6
69.03421	3.7
69.07059	9.4
71.04976	4.4
71.51367	2.9
79.05488	9.1
81.03394	1.2
81.07047	16.8
83.04971	3.7
83.08603	2.3
85.02887	3.8
85.06557	6.8
91.05478	15.6
93.07044	29.4
94.67560	1.2
95.04969	3.8
95.08604	41.2
97.06524	2.3
105.07024	26.3
107.05011	1.3
107.08591	59.7
109.06522	6.4
109.10154	14.5
111.08040	2.5
119.04928	3.6
119.08577	46.8
120.08093	1.5
121.06492	1.9
121.10141	12.8
123.08068	14.7
123.11703	9.6
131.08556	4.4
133.06473	2.3
133.10120	46.8
135.11687	90.6
136.12003	1.6
137.09625	10.4
137.13248	2.4
145.06503	1.7
145.10126	5.0
147.04430	3.1
147.07925	1.4
147.11688	35.6
149.09645	10.7
149.13234	10.4
151.07506	5.2
151.11188	14.0
156.09328	2.4
160.12419	1.6
161.06044	1.6
161.09587	1.6
161.13272	11.9
163.11111	2.0
163.14828	11.5
165.09111	1.5
165.12747	6.4
171.11694	1.7
174.10381	1.5
175.03922	3.0
189.12810	8.1
189.16380	100.0
190.16704	2.5
205.43794	1.5
207.02751	1.8
207.06500	3.7
207.13821	15.6
207.17436	58.6
207.19406	2.8
208.17862	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05503	1.0
55.24366	0.6
57.07077	1.0
58.89522	0.6
59.04996	1.9
67.05500	3.8
69.03426	2.7
69.07062	1.5
70.91046	1.7
71.04989	2.7
72.17027	0.6
75.94655	0.5
79.05479	2.9
81.07057	3.5
82.06428	0.7
83.04956	2.9
85.06541	1.1
91.05463	3.5
93.07039	6.9
95.04963	2.1
95.08598	11.9
97.06524	2.4
105.07021	11.4
107.04932	0.9
107.08588	8.9
109.06518	5.9
109.10168	1.3
111.08058	1.0
112.69154	0.5
117.07005	1.0
119.04939	0.8
119.08572	9.1
121.06506	1.9
121.10150	8.8
123.08063	16.0
123.11701	2.6
125.09603	0.7
128.06232	0.9
129.06978	0.8
131.08517	1.6
133.06465	2.7
133.10086	3.7
135.08061	1.1
135.11708	0.7
137.09592	5.7
137.13239	0.9
139.07570	0.7
142.07681	0.7
143.08490	1.9
145.10103	2.1
147.08011	2.8
147.11687	7.5
149.09608	100.0
150.09930	1.5
151.07506	3.4
156.09329	2.8
159.08014	1.3
159.11703	0.6
160.38699	0.6
161.13240	8.8
163.11127	0.9
165.09091	0.8
165.12740	6.7
171.11668	5.8
174.10335	3.2
179.14258	0.9
189.12729	25.5
207.13785	65.8
208.14096	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03936	3.1
55.01863	4.1
55.05504	11.9
55.90195	1.7
57.03420	8.6
57.07070	3.6
59.04990	7.1
60.25255	1.6
65.03922	2.2
67.05499	22.8
69.03412	8.2
69.07065	11.0
70.81709	4.0
71.04976	5.4
79.05504	13.9
81.03402	3.7
81.07056	18.7
83.04967	11.0
85.02899	5.6
85.06531	4.4
86.30436	1.6
91.05479	22.3
93.07038	22.6
95.04969	13.3
95.08605	46.2
97.06506	4.1
98.39902	1.8
99.08089	2.3
105.07029	73.0
107.04940	4.1
107.08596	32.3
109.06513	35.5
109.10150	20.4
110.17973	1.7
111.08076	5.9
113.06017	2.9
117.07007	4.0
119.04948	4.8
119.08577	69.3
121.06486	15.4
121.10141	26.0
122.07194	1.9
123.08060	40.2
123.11699	8.4
129.06998	5.4
129.43140	2.1
130.07715	2.1
131.04918	2.3
131.08556	7.5
133.06496	10.5
133.10114	28.0
135.08026	6.6
135.11679	8.6
137.05995	2.2
137.09615	91.5
137.13254	2.8
139.07539	11.0
143.08540	5.0
144.27660	1.9
145.06525	1.8
145.10159	11.6
146.07285	3.0
147.08073	19.0
147.11674	46.6
148.05122	3.2
149.09619	49.1
151.07536	14.5
151.11162	3.3
156.09344	10.9
159.08023	2.5
159.11681	5.6
161.04639	2.6
161.05991	53.5
161.09615	16.0
161.13251	72.8
163.11197	13.3
165.09090	3.8
165.12738	6.9
171.11687	12.4
174.10379	6.2
177.12746	11.2
179.14313	6.0
189.09131	14.2
189.12726	63.0
207.06531	5.1
207.10371	3.7
207.13805	100.0
208.14014	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05504	3.6
57.07058	4.9
61.41161	1.7
64.02189	1.4
67.05501	26.2
69.03413	3.0
70.71306	3.9
71.04969	2.5
71.26641	1.5
78.07563	1.7
79.05487	5.1
81.07022	4.4
83.04961	2.1
85.02894	5.3
85.06537	8.7
91.05474	7.0
93.07043	13.7
95.04954	4.0
95.08598	100.0
98.77320	1.7
105.07024	13.1
107.08585	17.3
109.06503	4.4
109.10132	2.8
113.05981	7.4
114.67764	1.6
119.08579	22.1
121.06522	4.4
121.10141	12.0
123.08056	47.3
123.11677	9.2
131.08542	5.4
133.10121	4.5
135.11681	4.8
137.09628	3.9
143.08546	1.7
145.10112	3.4
147.08015	2.9
147.11681	12.1
149.09612	42.8
151.07515	2.4
151.14827	2.8
156.09332	2.8
161.09514	1.9
161.13239	14.5
163.11166	3.3
165.12781	11.6
171.11678	3.2
173.61629	1.5
174.10347	2.7
179.14287	2.7
189.12735	22.3
207.13788	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.90718	0.8
51.22232	1.0
54.75427	0.9
55.01857	2.5
55.05492	2.0
55.92570	0.9
56.41490	1.0
56.96552	1.1
57.07054	1.5
67.05479	4.4
69.03405	2.1
69.07051	1.3
69.78867	6.3
71.04987	1.9
71.95658	1.0
79.05466	4.1
81.07050	17.4
83.04971	1.7
84.70361	1.0
84.71796	0.8
85.02898	100.0
91.05487	12.9
93.07040	5.5
95.04960	2.2
95.08607	7.3
103.05435	1.2
104.25728	0.9
105.07021	20.2
107.04964	1.4
107.08572	7.0
109.06525	6.5
109.10145	13.0
111.04404	1.4
111.27005	0.8
115.05425	4.3
117.07039	1.5
119.04935	6.2
119.07786	1.7
119.08569	18.2
121.06499	2.3
121.10123	11.8
123.04422	27.3
123.08055	6.1
123.11698	57.4
124.04699	1.4
124.11935	1.0
125.05968	7.8
129.06975	1.9
130.07762	1.3
131.08539	4.2
133.06471	3.6
133.10120	1.6
133.91559	0.9
137.02304	2.3
137.09593	1.7
139.03827	2.2
139.07494	1.4
141.05446	1.4
143.04897	5.6
143.08575	2.2
145.10126	7.2
146.10880	1.6
147.04402	10.1
147.08063	5.1
147.11685	18.8
149.02315	3.2
149.09598	12.8
151.03874	1.7
151.07527	7.2
156.09309	2.6
159.04352	0.9
161.05957	19.7
161.09528	1.8
161.13239	3.1
163.11156	3.0
165.05495	3.1
165.12732	4.5
166.04959	1.9
169.08665	0.9
171.11665	3.2
174.10350	2.0
175.03883	5.2
177.05478	2.0
179.07004	6.2
183.53276	1.0
189.05550	2.3
189.12732	10.0
192.04065	2.8
207.06503	12.7
207.13785	46.2
212.09277	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.88783	1.6
53.03934	1.8
54.79846	1.5
55.05510	11.8
57.03434	2.5
57.07069	2.8
59.04987	3.8
67.05484	6.6
69.03426	14.7
69.07063	8.5
69.40366	14.9
71.04970	4.4
79.05473	7.9
81.07058	9.0
83.04972	8.3
83.08598	1.9
85.06525	2.9
86.82531	1.7
87.85981	1.8
91.05473	15.4
93.07050	12.5
95.04929	2.8
95.08613	19.2
97.06517	6.8
98.59301	1.4
98.97566	2.7
105.07033	33.0
107.08590	19.1
109.06532	24.4
109.10147	4.9
111.08081	4.3
116.06181	1.6
119.04926	6.6
119.08582	32.2
121.06486	3.8
121.10143	41.1
123.08067	34.0
123.11673	4.9
125.05989	21.9
125.09604	6.1
129.07008	4.6
131.08566	21.7
133.06499	11.9
133.10135	11.9
135.08041	28.8
135.11678	2.5
137.05968	3.4
137.09608	14.7
143.08554	4.6
145.10095	7.8
145.68115	1.8
147.04353	1.5
147.08026	16.4
147.11679	21.4
149.09612	46.9
151.07532	79.1
151.11113	2.1
153.09068	17.0
156.09341	12.7
159.11729	2.3
160.08781	2.3
161.05971	4.1
161.09596	5.6
161.13240	33.5
163.11171	19.5
165.09142	3.5
165.12752	20.4
169.08519	2.3
171.11673	23.4
174.10393	4.3
177.00783	2.1
179.14320	7.7
189.09126	3.4
189.12727	43.3
195.07784	4.1
207.06570	1.9
207.13797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03928	5.6
55.01853	3.7
55.05516	12.2
57.07063	4.9
60.05717	2.1
63.80392	1.8
65.03916	3.7
67.05166	2.9
67.05502	38.0
69.03433	10.5
69.07050	7.3
69.50485	4.7
69.50899	14.3
71.04974	8.8
73.06528	2.9
79.05070	2.9
79.05490	44.0
81.07058	30.1
83.04958	8.7
83.08602	4.5
85.02882	7.9
85.06509	7.7
91.05482	61.3
93.07038	100.0
94.07361	2.3
95.04961	18.4
95.08045	3.4
95.08605	45.7
97.06524	5.0
99.04442	2.6
105.04528	2.4
105.06380	3.3
105.07030	43.4
107.04951	2.9
107.08593	22.8
109.06530	14.8
109.10128	7.6
111.04445	1.9
111.08066	3.7
113.06030	2.9
115.05457	2.3
115.96352	1.9
117.06985	6.8
119.04967	11.2
119.08571	37.4
120.08001	1.9
121.06500	5.9
121.10146	15.7
123.08073	27.1
123.11685	8.8
125.09622	2.8
129.06978	9.6
130.07776	2.0
131.08553	8.7
133.06474	4.4
133.10133	10.7
133.97498	2.2
135.08029	3.8
135.11665	5.6
137.05984	3.4
137.09576	8.3
139.07536	2.6
143.03601	2.5
143.08562	7.9
145.06363	1.9
145.10135	14.0
146.10918	2.1
147.04366	6.8
147.08041	7.8
147.11684	66.8
149.09627	17.3
151.07552	14.2
156.09309	6.3
159.11635	2.8
161.05943	2.5
161.09628	5.4
161.13223	17.2
163.03871	2.4
163.11169	8.0
164.04803	1.9
165.09082	2.7
165.12814	9.5
171.11673	24.8
174.10414	3.8
175.03871	5.5
179.07040	2.4
179.08577	1.9
189.12724	29.7
189.16359	3.2
192.04161	2.1
207.02861	3.9
207.06496	16.1
207.09929	3.3
207.11861	3.1
207.13780	77.9
207.17310	9.8
208.14156	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	207.1015
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
50.96305	0.4
53.03923	0.6
55.01840	0.6
55.05505	2.0
57.03400	0.7
57.07046	1.1
59.04974	0.9
65.03902	0.4
67.05502	3.7
68.99763	0.5
69.03423	2.5
69.07066	2.1
70.89277	1.3
71.04955	1.2
78.01025	0.5
79.05491	2.9
81.03398	0.8
81.07055	4.5
83.04971	3.4
85.02849	1.3
85.06503	1.3
91.05470	7.6
91.13760	0.4
93.07030	3.8
94.32436	0.4
95.04982	2.3
95.08054	0.6
95.08601	8.9
96.04334	0.4
97.06474	0.7
103.05425	2.0
105.07027	13.3
106.25719	0.4
107.04918	1.9
107.08582	5.4
109.06503	4.6
109.10147	2.1
111.08034	1.0
115.05422	2.5
116.06246	0.6
116.98643	0.6
117.06983	2.6
118.04161	0.7
119.04938	3.0
119.07785	0.8
119.08574	9.1
121.06507	3.8
121.09444	0.6
121.10143	5.9
123.04421	1.0
123.07199	0.6
123.08058	11.8
123.11695	2.5
125.09576	0.5
128.06230	0.7
129.03320	1.5
129.06969	1.4
130.04114	0.7
131.04916	4.0
131.08530	1.8
131.11269	0.4
132.05687	3.8
133.06480	15.9
133.10077	3.2
135.04372	0.6
135.07996	1.3
135.11664	0.9
136.05159	0.7
137.05959	1.3
137.09612	4.2
138.06670	0.6
139.07492	0.8
143.06116	0.5
143.08537	1.3
145.06487	2.8
145.10132	2.5
146.07213	2.1
146.46391	0.5
147.04382	1.5
147.08035	5.9
147.11673	7.3
149.02357	0.6
149.05960	3.9
149.09612	13.2
151.07529	11.1
153.08934	0.4
156.09395	2.2
159.07982	0.7
159.11694	0.5
160.05212	2.7
160.08865	0.5
161.05968	43.4
161.09593	1.9
161.13226	6.2
162.06639	1.1
163.03911	0.7
163.07533	3.8
163.11150	2.7
164.04671	1.0
164.08305	1.2
165.09093	3.8
165.12730	4.9
171.11676	3.1
174.06754	0.8
174.10356	1.7
175.03937	0.5
175.07523	7.3
176.08313	100.0
177.00645	0.6
177.05475	8.0
177.09070	4.9
177.12715	1.3
179.07030	1.1
179.10645	1.5
179.14323	1.2
189.09114	1.6
189.12737	14.0
191.07034	1.0
192.04117	0.7
192.07799	14.3
195.07832	0.5
207.02809	1.2
207.06577	3.8
207.10167	48.3
207.13766	30.9
208.14275	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.6
53.89022	3.4
55.01872	25.8
55.05504	5.5
55.07115	3.3
56.96559	63.1
57.03436	82.7
59.04997	6.4
60.04523	9.4
61.02924	34.7
67.05489	10.3
69.03421	54.0
69.07066	4.7
69.96260	11.9
69.96674	8.3
71.01329	7.2
71.04979	11.1
73.02910	69.2
73.11544	3.1
74.06065	4.7
75.09155	3.4
79.05482	4.3
80.94942	4.6
81.03395	17.9
81.07052	6.4
83.01313	4.3
83.04977	9.0
84.04472	3.9
84.96037	11.9
85.02425	6.0
85.02902	95.7
85.03415	5.3
85.06550	4.1
86.06062	6.8
87.04443	9.1
89.00745	6.3
91.05481	13.5
93.07061	9.0
95.04961	9.2
95.08588	12.3
96.01568	10.6
97.02881	80.4
98.01280	13.0
98.20853	5.6
98.97577	100.0
99.04459	15.2
100.02452	4.4
101.00787	8.5
101.02397	5.6
102.66187	4.1
103.03931	4.5
104.01274	12.5
105.02065	8.0
105.07046	9.8
107.08565	7.1
109.02862	14.2
109.06513	7.1
110.01270	31.1
110.97550	18.8
111.02080	6.2
111.04400	6.0
113.01736	4.8
115.02428	16.2
115.03912	13.8
116.98605	60.0
117.02082	4.0
118.03533	7.0
119.01815	76.0
119.04897	6.3
119.08579	13.9
121.01619	4.7
121.03369	3.6
121.10140	5.6
121.97576	7.8
122.01240	5.1
123.02050	5.4
123.04397	5.1
123.08073	6.5
124.93886	4.7
125.01781	5.7
126.02551	6.0
127.03933	28.9
128.02312	46.0
128.98586	48.5
129.01808	5.2
131.00157	4.2
131.01830	31.3
132.03381	4.2
133.01683	6.3
133.03448	11.6
133.10207	5.4
134.02267	6.2
134.99638	27.3
135.03026	9.0
135.08115	4.7
137.01817	7.4
137.02858	10.4
138.02557	5.7
138.03564	6.1
139.13794	3.7
139.53040	4.2
140.02283	32.1
140.52499	6.0
140.98576	9.4
143.00133	14.4
143.01854	21.0
143.08992	5.3
144.03445	11.4
145.01569	4.6
145.03391	6.1
145.04929	4.4
145.10123	5.1
146.02309	26.8
146.03487	6.4
146.52461	4.1
146.99652	36.5
147.03067	5.7
147.04222	8.2
147.08258	4.9
147.11662	11.4
149.01244	3.8
149.01721	4.8
149.02821	35.3
149.09648	9.4
151.07582	4.5
152.02304	15.1
153.00662	5.7
153.01859	8.5
153.02960	8.8
153.04031	5.9
155.01753	7.3
155.02867	31.7
155.53000	6.4
156.09393	4.5
157.01459	5.3
157.03542	5.3
158.99640	32.8
159.02962	4.6
160.95898	4.1
161.01225	29.9
161.02925	72.7
161.10085	7.0
161.13243	6.1
161.53067	5.2
162.03442	10.7
162.04601	5.6
162.05588	4.2
165.00722	10.5
165.12782	5.5
165.96591	9.0
167.02838	5.2
168.01840	4.5
168.03471	4.6
169.05025	4.7
170.03384	15.9
170.99622	20.9
171.04066	4.8
171.08447	6.5
173.01381	6.7
173.02885	35.2
174.03244	6.1
175.04318	7.6
176.03307	4.6
177.00708	40.2
177.04164	4.6
179.02318	8.6
179.03989	7.2
179.05351	21.4
179.06793	5.0
182.03300	30.6
182.99666	7.2
183.97583	14.6
184.04521	23.8
185.02940	14.3
186.03186	5.4
189.00697	43.1
189.05191	10.8
189.12756	10.8
191.03862	36.0
195.01765	6.5
198.04713	14.2
200.04362	6.6
201.00740	34.8
202.05685	4.9
203.02286	8.2
203.04042	15.0
207.01729	9.3
207.04944	25.7
207.06671	12.5
207.10521	11.8
207.13608	19.1
208.11862	4.7
219.01752	38.2
221.05148	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	206.1021
Annotation	Casuarine
Peak:m/z	Relative Intensity
51.63906	1.0
53.03944	1.0
55.01858	3.8
55.05494	3.1
56.05036	14.4
56.96558	6.4
57.03188	1.1
57.03434	13.5
57.08269	1.0
58.06598	23.4
59.04999	4.9
59.71122	0.9
60.04530	5.4
61.02918	8.1
65.05441	0.9
67.05481	2.9
68.05026	8.4
69.03425	9.0
69.07056	2.5
69.98969	5.6
69.99899	0.9
70.06574	7.4
71.04970	3.5
72.08127	1.2
73.02914	10.3
75.04468	1.1
76.07624	3.0
79.05469	1.3
80.05005	2.6
80.65733	0.9
81.03403	4.3
81.07059	1.7
82.06564	2.1
83.04972	4.1
84.04500	98.7
84.08116	1.2
85.02899	26.0
86.03247	1.3
86.06052	3.1
86.09712	4.9
87.04453	2.6
88.03986	1.1
92.01276	1.4
94.06548	1.8
95.04965	3.1
96.04433	1.0
96.08124	100.0
97.02892	11.4
97.08398	1.1
98.03244	1.1
98.06009	2.6
98.97594	5.8
99.04441	2.0
100.07605	2.7
101.00849	2.1
101.05966	1.8
102.05534	6.3
104.01259	1.1
106.06523	1.5
109.02865	1.4
110.01286	2.1
110.06023	5.5
110.97540	1.2
111.02910	1.4
111.04441	3.5
113.02386	2.0
113.07145	3.2
114.05515	3.7
115.02402	1.1
116.07121	1.5
116.98589	3.5
119.01871	12.4
119.03583	1.0
120.02003	1.8
121.01711	2.4
122.06026	6.7
124.07584	57.2
126.05499	2.1
127.03906	3.7
128.02316	7.7
128.07011	1.8
128.98581	2.3
129.05478	1.1
130.04979	1.3
131.01901	4.7
131.03404	1.8
132.03409	1.6
132.04448	1.2
133.01651	1.2
133.03423	2.7
134.02238	1.4
134.06007	2.7
134.99640	1.7
135.03215	1.5
136.03667	1.3
137.01808	1.2
137.02792	5.3
140.07011	2.3
142.03458	1.5
142.08624	71.9
143.01851	3.3
145.01624	2.2
145.03394	3.0
146.02242	1.6
146.03368	1.1
146.08116	5.4
146.97198	9.2
146.98201	2.1
146.99646	1.5
147.01273	1.2
149.02872	1.3
152.07050	4.1
153.01900	1.0
153.04073	1.2
155.02881	1.4
157.03461	1.8
158.99664	1.9
159.03186	1.1
159.07622	6.5
159.55573	1.1
160.04437	1.4
160.09686	67.3
161.01236	1.4
161.02933	4.9
163.02666	3.5
163.04488	1.4
164.03355	1.3
164.98280	1.1
165.00708	1.2
167.02928	1.6
170.03378	1.9
170.08116	70.8
170.99670	1.6
173.02917	5.0
174.03317	1.8
175.02716	1.8
175.04399	1.7
176.03410	1.1
177.00690	2.9
177.04405	1.1
178.04912	5.1
185.01230	1.0
185.02966	2.9
187.02785	1.7
188.03436	3.0
188.09172	28.7
189.00719	3.7
201.00673	1.8
203.02264	1.3
203.04005	2.6
206.04526	27.0
206.10228	99.6
207.10413	1.0
215.04028	1.4
219.01675	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	3.4
57.84799	1.5
59.12274	1.1
66.38791	1.2
69.80791	1.2
71.58758	1.9
73.65427	1.3
83.16737	1.2
86.96826	1.2
100.02492	3.2
101.00867	8.6
101.02547	4.1
102.02222	3.7
103.02573	1.5
117.31824	1.2
118.03515	3.0
119.01914	74.6
119.03638	2.9
120.01974	8.4
120.03252	2.6
121.01648	12.7
121.03610	1.6
122.92277	1.6
124.02431	4.5
137.02943	43.3
138.03058	4.7
139.02708	9.6
141.05087	2.4
142.03494	100.0
142.52744	1.6
143.03651	6.1
144.03233	11.3
159.06160	3.6
160.04547	49.4
161.02939	4.8
161.04672	5.0
162.04277	5.1
165.05074	6.8
176.98347	2.0
177.00865	3.7
178.01007	2.0
179.00632	7.2
179.03931	1.7
179.99403	1.5
182.97835	1.6
182.99341	1.6
183.06171	13.0
184.04550	2.9
188.99150	5.4
189.49294	2.8
189.99039	2.4
191.14346	1.4
191.49298	2.4
194.00189	1.4
197.99677	1.6
200.00339	1.8
200.49953	35.6
201.00029	13.3
201.02440	4.0
201.04089	1.6
201.07195	4.9
201.49907	8.5
209.50465	2.0
212.00867	5.0
216.95219	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0448
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
50.43990	0.3
56.96568	0.9
57.07063	0.3
59.06143	0.4
60.04533	0.7
71.23264	0.6
73.02921	0.5
78.47906	0.3
81.03431	0.4
91.05468	0.3
93.07066	0.4
95.04972	0.4
95.06068	0.3
97.02888	0.7
98.97559	0.4
104.04995	0.5
111.09235	0.4
119.01900	0.4
132.04451	23.8
139.03828	0.4
149.02324	0.9
150.02682	1.5
160.03975	0.6
164.10056	0.3
164.11618	0.3
167.07030	0.5
178.04988	100.0
179.05321	1.2
189.11319	0.6
191.14394	1.7
201.00832	0.4
206.04477	65.7
207.04771	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1586
Annotation	Khusimone
Peak:m/z	Relative Intensity
55.05507	2.0
57.07069	2.0
65.03929	0.8
67.05494	2.3
69.03419	0.7
69.07050	1.8
70.57266	1.5
70.57610	0.4
71.04985	21.9
77.75236	0.4
79.05489	2.4
81.03401	1.2
81.07052	9.3
83.08599	0.6
85.02915	0.6
85.06548	0.6
87.04426	0.5
91.05473	5.7
93.07041	10.0
95.04963	2.5
95.08601	15.9
97.02885	4.4
97.06547	2.1
98.03206	0.5
99.04480	0.8
99.08080	1.2
103.05430	0.6
103.91287	0.4
105.07021	33.0
107.08582	10.5
109.02875	2.9
109.06493	1.7
109.10155	2.5
111.08076	2.9
113.09633	16.1
113.10427	0.8
115.05423	0.5
117.07006	2.2
119.08571	13.3
121.02859	1.4
121.06490	1.1
121.10143	8.8
123.11726	0.5
127.03869	0.9
129.06973	0.6
130.07813	0.7
131.04903	0.5
131.08565	13.0
133.10107	1.7
133.38957	0.4
135.08058	1.0
135.11676	1.5
137.09572	0.7
143.08557	0.8
145.06462	1.7
145.10106	23.1
145.75703	0.5
147.11674	33.8
148.11978	0.5
149.02338	9.9
149.09576	1.6
149.13263	0.6
159.11676	5.7
161.13257	3.4
163.11195	1.2
163.14830	2.3
173.05975	0.8
177.12675	2.5
187.14809	34.6
188.15170	0.5
205.08719	1.5
205.12157	2.9
205.15858	100.0
206.16241	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1222
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
50.67269	0.7
53.03925	1.6
54.38503	0.7
55.01844	1.3
55.05507	5.5
55.52966	0.8
56.55772	0.7
56.73678	0.7
57.07056	2.9
65.03928	1.4
65.56123	0.7
67.05483	3.2
69.03423	6.5
69.07052	2.4
69.74107	5.9
71.04964	0.9
74.28960	0.7
76.31320	0.7
77.03896	0.8
79.05492	2.4
81.03402	1.1
81.07047	2.1
83.04977	10.9
84.47489	1.0
85.02887	2.5
87.93748	0.9
91.05470	11.4
93.07038	19.4
95.04941	3.6
95.08592	1.6
97.02880	6.8
97.06515	1.3
98.21111	2.7
98.97607	1.1
105.07027	16.7
107.04918	1.7
107.08580	11.3
109.02856	3.7
109.06478	1.9
111.04398	1.7
115.05450	1.2
116.06253	1.3
117.07003	10.6
119.08585	15.0
121.02874	3.4
121.06496	34.9
121.10123	7.0
123.08080	2.1
124.38570	0.8
127.03896	2.2
128.06201	1.5
129.06998	11.5
130.07753	3.3
131.04929	1.2
131.08568	13.0
132.05696	1.3
133.10127	6.6
135.08032	10.0
135.11668	6.3
136.08798	3.4
141.07018	1.4
142.07838	1.4
143.08540	3.7
144.09331	23.4
145.06494	2.5
145.10135	12.5
147.08022	9.2
147.11684	2.0
149.02330	17.5
149.05959	3.0
149.09613	8.5
149.13249	2.4
153.07002	0.9
154.07788	2.6
157.06464	3.2
157.10136	2.2
158.07263	2.4
158.99597	0.8
159.08035	2.3
159.11681	75.4
160.12000	1.8
161.08427	1.3
161.09631	11.0
161.13206	1.6
162.10387	2.4
163.07556	2.5
163.11171	51.4
164.11441	1.3
169.10094	5.0
172.08815	24.6
175.07553	1.7
177.09183	1.2
177.12737	40.3
187.11169	100.0
188.11569	2.6
190.09898	1.8
205.04883	1.2
205.08925	1.9
205.12225	56.2
206.12537	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1222
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
50.01604	0.2
50.87827	0.2
51.02364	0.3
53.03942	2.0
55.01865	1.3
55.05497	0.5
56.67961	0.2
56.96572	0.6
57.03428	0.6
57.07074	2.6
59.04995	0.2
60.04517	1.2
61.02930	0.4
61.04853	0.3
62.64020	0.3
64.18099	0.3
65.03925	1.4
67.05492	1.1
68.05025	0.2
68.99764	0.3
69.03422	2.1
69.07048	0.6
71.01353	0.2
71.04988	0.4
73.02927	0.4
77.03905	0.5
78.04729	0.2
79.05482	1.5
79.05885	0.3
81.03414	2.0
81.07056	1.0
83.04987	1.2
84.04530	0.4
85.02898	1.9
85.06529	0.9
91.05476	15.9
92.05846	0.4
93.03420	0.4
93.07036	55.0
94.07371	0.7
95.04963	7.5
95.08596	0.9
96.04483	0.4
97.02881	6.8
97.04836	0.5
97.06510	0.4
98.03221	0.8
98.97581	0.2
99.04449	1.4
103.05463	3.1
103.06111	0.3
105.04506	1.1
105.07012	1.9
107.04948	0.5
107.08569	1.6
109.02869	4.6
109.03584	0.4
109.06527	0.6
109.07691	0.2
109.10148	0.3
111.04462	0.4
114.05552	0.4
115.05335	0.3
115.05917	0.4
116.98637	0.3
117.07005	2.8
118.06599	0.3
119.04935	0.3
119.08587	1.9
121.02880	2.1
121.06494	100.0
121.10104	0.9
122.06825	1.6
123.04420	0.6
123.08076	0.3
126.05542	0.5
127.03913	1.4
127.05824	0.7
127.07575	0.5
129.06975	0.8
130.07776	0.3
131.04910	0.6
131.08571	2.2
131.12834	0.2
132.08099	0.3
133.06567	0.2
133.10123	1.0
134.99644	0.3
135.04442	0.4
135.08047	1.1
135.11679	1.2
137.06029	0.3
137.09547	0.2
139.03922	0.8
139.05788	0.3
144.05655	0.2
144.09340	0.8
145.04910	0.4
145.06451	2.2
145.10112	1.6
146.06004	0.5
147.04384	0.5
147.08080	1.1
149.02332	16.2
149.05960	0.9
149.09595	0.5
149.13219	0.5
150.02718	0.3
151.07555	0.4
155.00529	0.2
159.08075	1.0
159.11687	5.4
161.05904	0.3
161.09624	0.6
162.05510	2.8
162.06761	0.5
163.05847	11.7
163.07426	0.7
163.09918	0.3
163.11142	1.7
164.05914	0.4
167.03412	0.6
169.06892	0.4
169.10080	0.3
172.08809	0.5
173.06036	0.7
177.05534	1.1
177.09117	0.8
177.12715	1.9
178.08609	0.3
181.97911	0.4
187.03871	0.2
187.07613	0.5
187.11195	1.3
188.07030	0.6
190.04932	0.4
191.05264	2.4
197.01167	0.4
205.04907	1.5
205.06895	6.3
205.08827	2.9
205.12227	18.9
205.13965	0.9
205.15985	0.7
206.04520	0.2
206.12306	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	205.0971
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
52.76662	0.3
58.60540	0.4
70.95688	0.4
70.96016	0.7
74.02435	2.5
85.05602	0.3
91.05455	1.6
97.02881	0.9
102.30289	0.3
103.05439	0.4
109.02901	0.6
115.05434	2.3
117.05750	1.1
117.06999	3.0
118.06533	42.3
119.06905	0.4
119.67913	0.3
130.06543	3.0
132.08083	11.2
142.06497	4.4
143.07298	5.7
144.04428	0.5
144.08072	19.9
145.06500	0.8
146.05997	87.5
147.06313	1.0
149.02379	1.7
155.06049	0.6
159.09172	10.5
160.07578	1.8
170.05995	8.2
188.07050	100.0
189.07381	1.0
205.09610	1.5
205.12343	0.3
221.87862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0865
Annotation	N2-Acetyl-L-aminoadipate
Peak:m/z	Relative Intensity
51.84682	0.4
53.03933	1.1
55.01881	1.2
55.05490	1.0
56.05035	2.3
57.03416	0.5
57.07071	0.7
60.04221	0.6
60.04519	8.6
61.02928	2.5
64.97423	0.5
68.05025	4.7
69.03423	4.1
70.06577	1.9
71.04970	0.7
71.38670	1.1
72.04510	1.2
80.05009	1.7
81.03410	4.7
81.07039	0.9
82.02908	0.5
83.01343	1.3
83.04968	1.1
84.04501	19.7
85.02902	2.4
91.05457	0.5
93.07053	0.5
95.08565	0.5
96.04486	24.5
97.02885	12.8
98.02394	0.9
98.06046	11.2
99.04458	3.0
101.02352	0.6
105.07026	0.8
106.07347	0.6
108.04431	1.1
109.02872	5.4
110.06044	1.8
114.05518	6.7
116.07042	0.6
121.10131	0.6
124.03975	1.1
126.05508	34.4
127.03905	3.5
133.10173	0.6
134.10442	1.1
138.05492	100.0
139.05833	0.8
144.06552	27.3
145.04976	0.8
145.06425	0.6
148.11986	0.5
149.02313	1.2
156.06520	0.7
162.13585	0.8
168.06558	11.8
186.07600	7.1
188.10730	0.5
189.05621	0.5
189.11507	0.8
204.08681	14.0
204.10718	1.0
204.13792	6.4
204.18167	0.8
205.08643	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0653
Annotation	Doryanine
Peak:m/z	Relative Intensity
53.03936	0.2
56.96561	0.1
57.03424	0.1
58.06537	0.1
60.04522	2.7
61.02912	0.3
68.05015	1.1
68.14584	0.1
68.99809	0.1
69.03400	0.3
71.08220	0.3
75.05623	0.2
83.83512	0.1
84.04498	1.4
85.02892	0.6
89.03899	0.8
91.05451	0.4
93.07037	0.9
95.04968	0.2
96.04476	2.1
97.02879	2.1
98.06044	0.4
98.97545	0.1
99.04433	0.3
105.06974	0.1
109.02903	0.2
110.06036	0.4
114.05527	2.1
116.04961	2.1
120.04436	0.1
121.06493	1.5
126.05494	1.7
127.03896	0.2
129.04433	0.2
130.80122	0.1
134.06000	0.3
138.05469	0.7
144.04436	0.6
144.06606	0.3
147.04401	0.3
149.02304	0.6
156.06532	0.2
162.05484	100.0
163.05840	2.0
168.06592	0.5
172.56201	0.2
176.75456	0.1
181.56844	0.4
186.07617	0.2
188.10840	0.1
190.04970	16.1
191.05293	0.4
204.06549	41.3
204.08530	2.4
204.13841	1.0
205.05112	0.2
205.06894	0.9
205.12213	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03931	1.6
55.05513	9.0
57.07046	2.2
60.04522	6.6
67.05500	14.9
68.05022	3.1
69.06725	1.3
69.07068	20.4
70.02290	4.5
78.48891	1.0
79.05082	1.2
79.05483	8.3
81.07053	47.8
83.08603	4.3
84.04500	5.7
85.02895	2.3
91.05478	17.2
93.07034	18.0
95.04972	1.7
95.08602	42.8
96.04488	5.1
97.02862	6.1
97.10169	2.0
98.06032	1.0
103.05416	1.4
105.07024	95.3
106.07347	2.4
107.08587	21.3
109.06505	1.9
109.10149	35.6
110.10523	1.1
114.05527	5.5
115.05452	2.0
117.07018	5.2
119.08575	93.3
121.10136	18.3
123.11711	8.9
126.05499	7.5
128.06253	1.2
129.06955	2.4
131.08582	6.1
132.09290	1.1
133.10117	52.2
135.11665	5.1
138.05582	1.3
142.07762	2.7
143.08556	4.0
144.06609	2.3
145.06461	1.1
145.10112	8.6
147.07993	1.8
147.11679	78.9
148.12129	1.2
157.10101	4.0
159.11696	4.8
160.05238	1.2
160.12459	5.2
161.05962	2.8
161.09608	4.3
161.13260	25.7
168.06505	2.2
175.07547	4.4
175.11229	1.4
175.14783	7.7
179.11964	1.0
185.09610	1.7
185.13232	3.0
188.08411	1.4
203.03421	1.7
203.05273	2.2
203.07039	4.3
203.10609	8.1
203.14363	10.8
203.17941	100.0
204.08641	9.0
204.13852	3.1
204.18295	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03924	0.7
55.05508	4.7
57.07070	0.9
60.04510	2.1
65.03934	0.7
65.78326	0.4
67.05496	11.9
68.05003	1.0
69.06720	0.6
69.07061	6.4
69.90700	0.5
69.93384	2.2
71.04986	0.4
71.08614	0.6
78.06084	0.4
79.05053	0.6
79.05485	6.1
81.07048	31.6
83.08613	1.2
84.04494	3.0
85.02895	0.5
91.05470	8.0
93.07036	14.2
95.04959	1.0
95.08598	46.0
96.04472	1.8
97.02867	2.7
97.10143	0.7
98.21409	0.6
105.07021	29.0
107.08582	26.9
109.06501	1.4
109.10146	30.0
111.04453	0.4
114.05518	2.8
115.05410	0.8
117.07003	1.5
119.08571	25.7
121.06508	1.2
121.09304	0.8
121.10132	10.2
123.11691	5.6
126.05515	3.3
128.06201	0.6
129.07063	0.9
130.07780	0.5
131.08553	1.7
133.06416	0.6
133.10123	20.8
135.11716	2.7
138.05515	1.1
142.07748	1.1
143.08548	1.7
145.04930	0.5
145.10115	5.0
146.10858	0.6
147.08046	1.3
147.11676	37.1
148.12389	0.7
157.10118	1.4
159.08057	1.0
159.11652	2.3
160.12323	0.5
161.09583	2.3
161.13248	14.4
161.14615	0.8
168.06485	0.6
168.80515	0.4
174.15028	0.5
175.07503	1.0
175.14816	7.6
185.09602	0.8
185.13242	1.7
185.20894	0.4
186.07634	1.0
188.08501	0.6
189.11330	0.4
203.07001	2.4
203.10612	3.0
203.14268	5.8
203.17940	100.0
203.21921	7.7
204.08669	3.8
204.13876	1.5
204.18275	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64011	1.1
60.35444	1.2
70.06622	2.3
70.07044	4.0
98.20750	1.6
100.02464	1.9
101.00857	9.5
116.90824	1.3
118.03528	2.2
119.01916	100.0
120.02023	3.5
124.02506	2.2
137.02948	52.9
142.03494	39.5
160.04546	25.3
161.02965	17.8
161.04263	1.1
178.05626	3.7
179.03996	51.0
179.05594	2.6
184.04590	2.9
202.05624	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	202.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26275	0.5
53.03939	1.4
53.48591	0.5
55.01873	1.0
55.05507	6.6
56.05033	14.0
58.99584	23.6
63.01104	0.6
68.05031	0.9
69.72533	3.7
70.06590	1.1
74.00652	1.5
76.02221	7.6
79.05487	29.9
80.05004	0.6
81.06570	1.2
81.07053	20.1
81.07524	1.4
82.06585	7.4
85.01124	100.0
86.00645	14.5
86.01459	0.9
86.99048	16.7
87.02689	0.9
88.02197	3.2
88.03979	3.2
91.05495	0.7
95.04986	1.6
96.08133	2.4
97.08914	7.8
98.09687	32.9
98.21006	1.7
100.02186	0.7
105.00085	8.1
105.07030	1.0
108.08100	0.8
110.09666	1.4
113.04224	51.9
114.04594	0.7
120.01148	2.4
122.09674	2.0
131.01584	0.8
132.01143	16.8
132.02103	1.2
139.05725	1.3
143.07300	0.6
147.25691	0.5
156.08409	8.9
159.04718	1.1
160.07576	4.7
185.06314	8.8
202.08955	23.4
202.10851	1.2
203.92992	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1637
Annotation	ar-Tenuifolene
Peak:m/z	Relative Intensity
51.53743	0.6
53.03930	1.3
55.05495	2.6
55.54104	0.5
55.61749	0.6
56.31757	0.5
56.63856	0.6
57.07068	1.5
65.02501	0.6
67.05502	8.0
69.07057	3.1
70.06602	0.7
70.54074	2.0
79.05495	9.0
81.07051	17.5
83.08600	1.4
83.30211	0.5
87.04532	0.6
88.07623	0.7
91.05473	12.0
93.07035	19.8
95.04990	0.9
95.08604	16.7
98.21112	1.1
102.09137	0.6
103.05431	1.1
105.07024	27.4
107.08590	25.3
109.06491	1.5
109.10149	5.6
110.18604	0.6
114.05457	0.8
115.05419	0.9
116.06315	0.8
116.10603	0.5
117.07014	11.1
118.96735	0.8
119.08575	17.6
121.10124	9.2
123.11649	0.9
128.06158	0.8
129.07056	2.0
130.07753	3.2
131.08560	25.4
133.10127	10.0
134.96658	0.6
135.11703	1.4
143.08534	4.0
144.09282	2.3
145.10112	52.0
146.10815	1.7
147.11649	2.1
155.08463	0.7
157.10135	2.1
158.07251	0.7
158.10916	1.2
159.08046	1.0
159.11682	30.8
160.12190	1.0
171.11655	1.2
172.12463	1.2
173.13260	12.3
177.98019	0.8
183.11656	1.3
199.14754	0.6
201.05443	1.3
201.09149	3.2
201.12686	3.0
201.16367	100.0
202.16716	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	199.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
53.45689	0.6
55.01871	0.8
55.05506	19.7
56.96558	1.3
57.03429	1.3
57.07071	12.0
65.03928	1.0
67.05502	4.5
69.03416	1.3
69.07059	7.4
70.07401	0.8
70.90643	1.8
71.04992	2.2
71.08629	1.3
72.04521	1.0
74.09711	7.8
79.05500	4.2
81.07057	6.8
83.04972	9.2
83.08615	2.5
84.08954	1.0
85.06538	6.1
91.05479	3.5
93.07034	10.4
95.04962	2.4
95.08603	11.0
97.06520	5.7
97.10163	0.6
98.21377	0.7
98.97567	4.4
99.08076	3.6
100.07596	2.8
105.07024	4.1
107.04957	1.2
107.08586	17.3
108.65187	0.6
109.06528	3.5
109.10147	2.7
111.04434	100.0
111.08060	3.8
111.11729	1.5
112.04752	1.0
113.06005	2.1
113.44043	0.5
115.05461	0.9
116.97236	3.0
116.98619	6.4
117.07006	2.1
119.08558	1.4
121.06508	3.3
121.10147	2.6
122.07298	1.1
123.08089	1.5
125.05054	1.4
125.05982	25.6
127.07530	3.1
128.06223	1.3
129.07068	0.6
130.07764	1.0
131.99586	1.1
134.99655	7.7
135.08047	14.7
135.11674	18.0
137.13266	1.8
139.01526	0.6
139.03865	0.9
139.07518	3.8
140.04695	0.7
142.07765	1.1
143.08536	3.7
145.10107	15.4
145.11250	0.8
152.96962	1.1
153.00693	2.1
153.12714	5.2
155.04977	0.7
156.09445	0.7
157.10126	3.8
158.01334	1.0
163.11172	18.5
165.01097	0.6
171.11745	1.7
175.98561	2.2
176.02344	0.8
177.00798	0.9
181.02847	0.6
181.12225	38.3
184.12466	0.8
199.03859	2.4
199.07558	2.4
199.11218	2.6
199.13243	0.9
199.14908	7.6
199.18875	33.9
215.05350	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0963
Annotation	Suspenolic acid
Peak:m/z	Relative Intensity
50.09187	0.5
50.50581	0.5
52.66933	0.5
53.03930	2.3
55.01863	3.6
55.05494	2.2
59.06099	0.9
67.05498	4.4
69.03410	0.7
69.07057	1.2
69.82614	3.6
74.09700	2.1
77.03919	0.8
79.05486	19.2
81.07055	4.9
83.04989	0.9
83.08607	1.0
91.05471	13.2
93.07035	28.9
95.04959	9.2
95.08560	1.4
97.06516	2.9
97.53771	0.5
98.97570	2.8
100.07627	0.8
103.05435	2.0
105.03344	1.0
105.04492	0.8
105.07029	1.0
107.04950	3.4
109.06526	1.2
111.04451	4.1
111.08083	2.3
116.97212	1.4
116.98604	2.3
121.06493	35.6
122.06855	0.7
123.04440	1.4
123.08054	14.6
125.06004	0.9
125.06921	0.6
134.99623	1.9
137.40486	0.5
138.03204	0.5
139.03906	1.0
139.07527	30.3
140.04648	1.5
146.52931	0.6
149.05954	9.8
152.96848	0.6
153.00705	0.9
156.07507	0.6
167.07025	100.0
168.07420	0.9
175.98531	2.3
185.08038	1.7
187.53003	0.9
199.03897	0.8
199.05957	0.7
199.09653	1.3
199.14685	0.5
199.18896	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	199.0964
Annotation	Suspenolic acid
Peak:m/z	Relative Intensity
53.03926	1.6
55.01862	2.3
55.05495	1.1
58.48394	0.5
67.05496	3.2
68.08855	0.4
68.99770	0.6
69.03432	0.7
69.07050	0.8
69.51959	0.5
70.58685	1.5
77.03902	0.6
79.05487	16.1
81.07049	4.3
83.08614	0.5
91.05473	10.2
93.07035	25.5
95.04965	6.7
95.08598	0.9
97.06515	1.8
103.05438	1.3
105.04489	0.9
105.07060	0.6
105.23310	0.4
107.04946	2.3
109.06467	1.0
111.04408	1.4
111.08080	2.1
116.97225	0.7
121.06494	34.5
122.06775	0.5
123.04401	1.1
123.07180	0.9
123.08058	13.0
134.99687	0.5
139.07529	25.6
149.05956	9.0
162.60722	0.4
167.07022	100.0
168.07349	1.2
170.36023	0.4
185.08084	2.0
192.67897	0.4
195.97562	0.5
199.09599	0.8
199.18877	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.2
56.05035	3.8
56.96561	4.8
57.04544	1.0
57.07075	0.8
57.93549	1.0
58.99848	0.8
59.06112	1.0
60.50922	0.5
69.07060	1.9
70.04506	1.1
70.04919	2.1
72.04510	1.0
74.09705	2.6
75.94596	1.1
79.05488	0.8
82.99833	0.6
83.04984	0.7
83.08609	1.1
98.00901	0.8
98.96198	0.9
98.97577	23.7
99.05560	1.7
100.02461	2.0
100.07603	1.3
101.00880	2.3
101.02576	0.6
107.08571	0.7
111.11795	0.5
116.01930	9.1
116.97253	12.3
116.98605	26.4
118.03516	10.6
119.01913	22.5
120.02010	1.1
121.01648	1.6
130.03487	1.4
131.01903	0.7
131.99521	2.8
132.05083	1.7
133.04617	0.8
134.02983	100.0
134.95894	0.5
134.99651	29.9
135.03088	2.1
136.03484	1.2
136.04529	11.1
137.02954	13.4
137.04628	1.1
138.03052	1.7
138.04225	0.5
139.02626	1.0
139.03571	1.6
140.00197	1.2
140.04614	0.6
142.03481	2.2
148.04535	0.9
148.96164	1.5
149.01242	0.5
150.06120	1.8
152.04031	26.5
152.05879	1.2
152.96916	4.3
153.00711	9.5
153.04138	0.8
155.06770	0.7
156.97461	0.8
157.04582	21.5
157.97426	0.6
158.01271	3.6
158.02965	6.3
158.04813	1.1
159.06145	0.6
160.04506	3.0
170.97951	1.4
172.04538	1.9
173.07759	1.3
174.98628	0.8
175.04202	1.1
175.05624	9.9
175.98531	11.4
176.02376	4.4
176.04050	32.7
176.05782	5.2
177.00792	2.0
177.03656	0.6
178.05602	1.8
180.06229	0.7
181.04590	0.9
188.85474	0.6
190.05569	0.9
191.08780	0.6
193.06688	3.3
193.99516	0.6
194.05099	17.3
194.06909	1.6
195.01788	1.1
195.04832	0.6
199.00128	1.0
199.04074	0.8
199.05678	8.7
199.07442	0.9
199.15012	0.6
199.18893	13.7
200.04112	1.2
217.05188	0.7
217.06783	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	197.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00321	0.2
53.03952	0.4
55.05509	12.3
56.90462	0.2
57.07072	100.0
58.07404	0.8
59.05002	0.9
63.11731	0.2
67.05508	0.9
69.07059	2.7
70.95863	0.8
71.05000	0.4
71.08638	0.4
71.10545	0.5
72.93774	0.2
76.90827	0.2
81.07056	1.9
83.08611	1.3
85.06538	75.4
86.06869	1.0
93.07030	0.5
95.04952	0.2
95.08597	1.2
97.10168	7.7
100.07554	0.2
105.03376	0.9
105.07040	0.3
107.08588	1.1
109.10143	1.4
111.98440	0.4
113.09628	0.3
119.04950	0.5
123.08042	0.2
123.11687	2.9
127.11163	0.3
129.99478	0.4
132.95830	0.8
133.10094	0.8
135.11668	0.8
150.96872	1.9
151.03885	0.3
151.14986	0.2
155.97383	0.7
161.09584	0.7
173.98476	1.8
179.10645	1.2
179.17853	0.3
196.99989	0.5
197.09677	0.4
197.11665	1.3
197.13298	0.4
197.15274	0.4
197.18990	5.2
198.18512	12.8
213.30179	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03942	0.4
55.01870	0.7
55.05506	1.1
59.04994	1.5
60.06263	0.4
65.03947	0.5
65.80106	0.4
67.05502	1.5
69.03434	0.5
69.07085	1.1
70.95840	3.0
72.93784	1.1
74.70712	0.5
79.05482	2.5
81.07052	2.5
83.04974	0.6
88.96881	0.6
91.05480	9.6
93.07035	7.4
95.04963	2.5
95.08611	1.5
98.21507	1.2
105.03438	0.6
105.07031	15.0
107.08592	100.0
108.08942	1.5
109.06514	3.9
109.10160	4.4
109.91125	0.5
111.98514	2.2
113.08256	0.6
116.06934	0.5
118.07840	0.6
119.04988	0.7
119.06099	0.7
119.08587	5.0
121.06506	3.0
121.10144	0.9
123.04459	0.6
123.08097	1.0
123.11715	1.2
129.99507	1.7
131.08568	1.4
132.95837	2.8
133.02875	1.0
133.10127	50.0
134.10434	0.7
135.11685	16.2
137.05975	2.9
137.09619	3.1
143.08563	0.5
143.22585	0.4
146.07289	1.5
150.96904	7.7
151.03952	0.8
151.07523	0.8
151.11172	3.1
155.97417	3.7
161.09616	16.1
164.92503	0.4
165.05466	0.7
167.10719	1.1
168.97986	0.5
173.97139	0.7
173.98502	8.0
179.10666	25.8
191.99564	0.5
197.00243	0.6
197.11729	70.8
198.12100	1.6
198.18535	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	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03933	2.2
55.01854	1.3
55.05512	3.6
57.03424	0.9
57.07059	2.1
59.04992	3.5
59.06139	0.7
60.69280	0.6
62.85537	0.7
67.05503	5.6
69.03426	1.5
69.07051	2.9
70.95863	8.7
70.97222	1.9
71.04977	1.6
72.93786	4.0
77.03926	0.9
79.05135	0.7
79.05501	8.1
81.03396	1.1
81.07062	6.9
83.04946	1.8
83.08613	1.5
85.02874	0.7
85.06526	1.3
87.04443	0.8
88.96887	1.9
89.53961	0.6
90.94826	1.1
91.05469	15.4
93.06472	1.2
93.07043	21.0
95.04965	12.9
95.06070	0.7
95.08582	4.3
97.06541	0.8
97.10126	0.8
104.69273	0.7
104.78049	0.6
105.03388	52.7
105.07030	24.7
105.07764	0.9
106.07296	0.7
107.04941	0.8
107.08590	61.4
108.08889	0.9
108.70834	0.8
108.95853	0.7
109.06503	6.3
109.10139	4.8
111.08041	0.8
111.98470	8.0
113.08251	7.3
113.96363	0.7
117.07019	1.2
117.66336	0.7
118.07755	0.6
119.04944	2.1
119.06043	0.9
119.08583	7.1
120.09380	0.9
121.06485	6.4
121.10101	1.5
123.04435	5.5
123.08040	1.5
123.11677	2.9
125.05991	1.5
129.99504	5.7
131.08554	2.3
131.97432	1.0
132.81017	0.7
132.95830	9.6
133.10127	65.5
134.10443	1.2
135.08083	1.0
135.11687	55.5
136.12021	2.3
137.05989	3.6
137.08188	2.2
137.09608	5.3
138.06726	0.8
139.07523	1.1
141.05431	1.6
143.08556	2.0
146.07245	1.9
147.04369	1.4
150.96886	29.5
151.03908	3.1
151.07562	1.0
151.11160	6.9
153.01102	1.3
155.09232	2.6
155.10503	0.8
155.97406	10.7
161.09613	34.5
168.97923	1.1
173.96973	0.9
173.98491	25.4
179.07158	2.8
179.10664	100.0
180.11066	2.4
191.99579	1.0
197.00093	2.8
197.11728	88.3
198.12048	1.9
198.18529	21.8
198.20384	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0806
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
51.64938	0.3
51.84784	0.2
53.03950	0.2
55.01873	2.1
62.20266	0.2
65.03931	1.4
67.05503	1.7
69.07042	0.2
70.95848	2.1
71.59966	0.5
72.93783	1.1
73.02913	22.1
77.03910	0.4
80.02659	0.2
81.07049	0.5
85.02901	0.3
88.96886	0.7
90.94816	0.3
91.03971	0.7
91.05477	3.1
93.03403	0.6
93.07027	0.7
95.04967	1.2
95.06056	0.3
95.08623	0.3
99.04407	0.3
105.07021	0.5
107.08605	1.0
108.02079	1.8
109.02897	0.4
109.69424	0.2
110.03645	1.8
111.04469	1.9
111.98446	1.6
113.08260	1.1
119.04919	1.5
123.04365	0.4
125.05983	17.9
127.03862	0.3
129.99512	1.2
132.95840	2.4
133.02797	0.4
133.10141	1.2
135.11693	0.9
136.01524	0.6
137.05957	1.2
137.08197	0.5
141.05460	4.2
147.04387	0.3
149.05980	2.2
150.96892	7.8
151.03896	100.0
151.04970	6.6
151.07404	3.3
152.04189	1.3
155.09271	0.6
155.97418	2.8
161.02997	0.3
161.09622	0.5
165.05463	0.3
168.97935	0.4
173.98488	5.4
179.07025	20.5
179.10481	1.5
182.05762	0.3
197.08086	9.0
197.09967	0.5
197.11763	1.1
197.13249	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0808
Annotation	Methyl everninate
Peak:m/z	Relative Intensity
51.02380	1.0
53.03944	1.7
54.12938	0.7
55.01859	2.5
55.05500	1.8
55.93520	0.8
56.96565	1.2
57.07065	1.2
59.06107	1.4
60.04517	0.8
60.26032	0.8
63.06082	0.7
65.03919	1.6
67.05484	2.6
69.03403	1.0
70.14317	3.5
70.95861	22.1
71.06105	1.3
71.08624	0.7
72.93787	12.6
73.02912	1.8
77.03920	5.5
79.05491	9.9
81.03419	1.1
81.04523	1.1
81.07055	8.7
83.04988	1.2
83.06087	1.9
85.02879	1.1
87.04449	1.1
88.96900	6.1
90.94842	4.4
91.05474	39.3
91.08104	0.7
93.07021	3.0
94.04176	5.8
95.04964	8.3
95.06067	1.2
95.08590	1.9
95.45674	0.7
96.05581	0.9
96.58656	0.8
97.02857	0.9
105.03388	26.9
105.07011	3.2
107.04942	4.6
107.08601	7.8
108.95854	1.3
109.02876	1.2
109.06513	29.9
109.10123	2.1
110.97721	0.8
111.98473	16.8
113.08247	6.8
113.96397	3.0
114.94822	1.0
116.98576	0.9
119.04925	10.8
119.08541	1.7
121.10117	1.3
122.03638	11.9
123.04412	4.5
123.08035	0.8
125.05965	2.2
127.03876	1.0
129.99500	16.3
131.97424	1.8
132.95824	21.7
133.02843	100.0
133.10141	7.5
134.03203	1.4
134.05959	0.7
135.04427	5.5
135.11690	5.9
137.05971	73.2
137.08211	4.5
137.09563	1.2
138.06584	2.4
139.07442	1.1
141.05431	1.3
141.06888	0.8
147.04401	3.3
150.96878	81.4
151.03891	6.7
151.07437	1.3
151.11180	1.4
152.08156	0.7
153.00977	0.9
153.05452	2.7
154.06181	1.0
155.07050	0.8
155.09291	4.4
155.97414	24.7
161.09599	3.2
162.05446	0.9
165.05467	42.5
167.06985	3.4
168.97928	4.3
173.98482	64.3
174.05453	0.9
174.98691	0.9
179.03415	1.6
179.07054	1.6
179.09224	3.8
179.10687	9.7
182.05699	1.5
191.99506	1.7
192.04219	0.7
197.00070	3.8
197.04539	4.4
197.06253	1.4
197.08072	5.5
197.10191	3.0
197.11746	9.9
197.13344	1.0
198.18616	1.8
206.52803	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1744
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03926	1.4
55.01873	6.7
55.05261	1.3
55.05511	15.7
56.96562	0.9
57.07063	3.8
59.05002	1.6
65.03955	1.2
67.05505	7.5
69.03423	2.8
69.06680	1.0
69.07063	25.8
70.07203	4.3
71.04991	5.3
79.05489	11.6
81.07056	31.7
83.04981	4.3
83.08611	11.9
85.06536	6.2
89.03940	4.7
89.04408	1.0
89.05998	2.0
91.05465	5.0
93.07036	20.8
95.04943	1.7
95.08604	52.0
97.06543	1.2
97.10159	9.0
99.08089	37.6
99.92346	0.8
103.05427	2.1
105.07047	3.8
107.04949	13.1
107.07858	2.0
107.08589	34.7
107.96651	0.8
109.06504	1.4
109.10163	11.3
111.08079	22.7
111.11708	2.2
113.09644	7.1
117.03371	9.1
119.08630	1.5
121.02851	0.8
121.06493	2.2
121.10138	55.9
123.11700	1.4
125.09622	7.7
125.13193	1.3
128.76215	1.1
131.08540	1.0
133.02811	1.2
133.10123	1.7
134.03593	1.2
135.04449	4.5
135.08080	3.3
135.11679	12.8
137.05945	1.6
137.13251	15.0
139.11137	4.4
145.02846	16.5
148.97337	1.3
149.05956	5.3
149.09631	1.1
149.13232	4.0
149.97141	1.4
154.06252	1.5
159.11566	1.1
163.03894	10.3
163.07567	3.0
165.06952	1.6
167.07018	3.1
171.99036	1.0
177.05464	26.2
177.09088	1.3
177.16379	100.0
178.05655	1.1
178.16759	2.0
180.09314	2.4
186.05347	1.2
186.52612	0.9
195.02892	3.5
195.06488	2.6
195.08591	3.8
195.10240	4.3
195.11768	2.2
195.13829	2.3
195.15677	1.0
195.17436	22.2
201.98677	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1743
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03951	0.3
53.40258	0.1
55.05507	16.9
56.05846	0.1
56.96561	0.1
57.03433	0.1
57.07069	0.2
59.05008	0.1
67.05502	0.3
69.03441	0.1
69.07063	1.3
71.59947	0.1
71.95277	0.1
77.81188	0.1
78.26508	0.1
79.05481	0.2
81.03439	0.1
81.07050	0.7
83.04976	100.0
83.08616	0.2
84.05300	0.7
85.06525	0.2
89.03922	0.2
89.06032	0.2
91.05460	0.1
93.07052	0.3
95.04975	0.8
95.08589	0.5
97.06538	0.1
97.10163	5.5
97.18856	0.0
98.10461	0.1
99.08100	0.3
105.06996	0.1
107.04947	0.2
107.08589	0.3
109.10147	0.2
111.08090	0.2
117.03394	0.4
121.02851	0.2
121.10127	0.4
123.08050	0.1
123.11699	0.1
125.09592	0.3
131.96204	0.1
133.02821	0.1
134.03635	0.1
135.04411	0.2
135.08067	0.1
135.11674	0.2
137.09642	0.1
137.13264	0.4
138.06670	0.1
139.11194	0.2
145.02843	0.7
148.97340	0.1
149.05984	0.3
149.09662	0.1
149.97176	0.1
163.03902	1.6
165.06958	0.2
167.07072	0.5
167.08408	0.1
171.98944	0.1
172.02670	0.1
172.98669	0.1
177.05464	1.2
177.09079	0.1
177.16367	0.3
180.09328	0.1
186.05469	0.1
195.02864	0.2
195.06535	0.1
195.08566	0.1
195.10223	0.1
195.11691	0.3
195.13737	0.2
195.17432	6.4
196.17758	0.1
204.20966	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	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
52.21023	0.4
55.01890	0.5
61.64717	0.3
63.02364	0.4
65.03933	0.4
69.67484	2.1
69.67899	0.9
78.04688	0.6
79.05490	0.6
89.03909	18.2
91.05472	1.8
93.03484	0.5
93.07040	0.8
95.04988	0.8
103.05466	1.4
106.04189	0.9
107.04951	1.2
108.05693	0.4
109.98786	0.4
111.04436	0.7
117.03372	37.8
119.04918	0.5
121.06487	1.3
124.05210	0.6
125.05977	0.8
134.03629	7.0
135.04413	6.4
135.07996	0.3
137.79243	0.3
145.02835	76.2
146.03180	0.7
149.05975	17.8
149.97128	0.4
153.05481	1.5
162.03111	1.5
163.03894	7.6
177.05457	100.0
178.05833	1.1
186.05453	1.8
194.17413	0.4
195.06506	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03941	0.5
55.01881	0.5
63.02373	0.7
64.77806	0.4
69.07044	0.4
70.06602	0.5
70.93539	0.7
70.93879	0.8
78.04697	0.8
79.05475	1.6
81.07058	2.0
89.03915	16.1
91.05482	3.5
93.07039	1.1
95.04986	0.5
95.08590	0.5
103.05453	1.3
105.07036	0.9
106.04175	0.9
107.04954	3.5
107.08595	0.8
111.04431	1.4
111.08078	0.4
117.03371	33.9
121.06470	1.5
121.10133	1.0
124.05205	0.6
125.05991	0.7
131.04955	0.5
133.02811	0.4
134.03621	4.9
135.04414	7.2
135.08003	2.0
135.11726	0.7
136.05107	0.4
137.05977	0.9
137.09596	0.6
138.06660	0.6
139.07538	0.5
145.02838	71.1
146.03154	0.7
148.97292	0.9
149.05972	18.1
149.09540	0.5
152.11960	0.4
153.01801	0.7
153.05475	1.6
158.06055	0.5
162.03105	1.8
162.04451	0.4
163.03897	9.5
163.07530	1.0
165.06987	0.5
167.06999	0.9
171.98923	1.0
177.05461	100.0
177.16386	0.6
178.05786	1.2
186.05505	2.7
192.75443	0.4
195.02856	1.2
195.06598	2.9
195.08537	0.8
195.10172	1.4
195.11771	0.7
195.13771	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03897	1.4
55.01816	1.3
55.05440	1.8
56.96515	0.8
57.03386	0.8
62.43819	0.6
65.03889	1.4
67.05437	2.0
68.96276	1.3
69.03377	0.9
69.06997	3.2
69.88960	2.6
69.89371	0.8
69.96132	0.9
71.01307	1.0
71.94046	0.6
77.03836	0.7
77.12561	0.5
78.04651	0.6
79.05480	10.3
81.03358	1.0
81.06994	2.7
83.04913	2.2
83.08549	0.5
85.06474	0.7
89.03903	16.0
89.05959	2.4
91.05470	10.2
93.03342	1.6
93.07019	4.0
95.04951	5.7
95.08598	3.3
97.02845	0.8
97.06507	1.3
97.10131	0.6
98.21066	1.7
98.97496	0.7
103.05457	8.5
105.03339	0.8
105.06410	0.7
105.07014	11.0
106.04105	1.7
107.04942	73.6
107.08557	4.7
109.02819	0.6
109.06462	2.2
109.07582	0.7
109.10113	1.8
109.98866	1.0
110.07176	0.8
111.04373	2.4
111.08019	1.3
115.05473	4.7
117.03369	32.5
117.06947	2.2
119.04907	1.0
119.08533	1.3
120.05672	2.4
121.02834	0.6
121.06506	3.1
121.10131	3.8
122.07233	0.6
123.04404	1.4
123.08054	0.6
124.05138	2.5
125.05988	3.4
127.99948	0.9
130.96217	1.8
131.04852	1.6
131.08534	1.7
131.96114	1.9
133.02841	1.2
133.06482	0.9
133.10190	0.7
134.03635	6.4
135.04430	8.9
135.08035	22.5
135.11673	2.8
136.08659	0.9
137.05962	1.4
137.09590	1.5
137.13179	0.7
138.06583	2.7
139.03836	1.7
139.07520	0.9
142.96422	0.6
145.02827	68.4
145.07582	1.1
146.03104	1.1
147.04356	2.4
148.97330	4.5
149.05956	19.4
149.09554	2.8
149.13234	0.7
149.97188	4.5
151.03822	1.6
151.07478	0.7
152.04640	0.7
153.05472	3.6
153.08998	1.0
153.97874	1.4
154.06210	5.4
154.97760	0.8
159.11595	0.9
162.03120	1.8
163.03877	13.0
163.07530	31.8
165.05521	1.4
165.06937	1.9
167.03381	1.1
167.07027	32.3
171.98901	3.8
172.98787	2.6
177.05447	100.0
177.12724	1.3
177.16344	1.3
178.05852	0.8
180.07803	6.0
180.09370	2.2
186.05489	2.7
191.31909	0.6
195.02911	3.8
195.06563	3.7
195.08679	2.7
195.10162	41.1
195.11673	3.6
195.13878	2.4
195.15581	1.0
195.17299	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03943	2.0
55.01864	4.4
55.05506	9.8
57.03419	2.2
57.07066	3.1
59.04988	1.4
65.03928	1.1
67.05502	11.9
69.03411	3.1
69.07066	21.6
69.19801	0.9
70.56137	3.1
71.04977	3.3
79.05067	1.1
79.05495	17.5
81.03420	1.7
81.07057	20.7
83.04980	5.0
83.08614	8.4
85.06541	3.2
89.03929	0.9
91.05478	13.7
93.07036	13.9
94.57094	0.9
95.04955	10.1
95.08601	23.3
96.20766	0.8
97.06527	11.5
97.10151	1.8
99.08086	3.1
103.05469	11.1
105.07028	100.0
106.07361	2.6
107.04953	1.5
107.07867	1.3
107.08595	25.4
109.06517	24.0
109.09463	1.6
109.10156	22.7
109.87010	1.0
111.08101	4.1
111.11737	4.4
115.05453	18.1
117.06982	1.7
118.04150	8.8
119.04911	0.9
119.08583	38.8
121.10148	12.3
123.04461	0.9
123.08064	22.5
123.11716	8.5
125.09665	1.6
131.04901	2.7
131.08577	1.5
132.05692	1.6
133.02861	4.5
133.06488	74.4
133.10127	42.4
134.06839	3.0
135.08017	1.5
135.11688	37.5
137.05959	2.7
137.08641	1.4
137.09613	15.8
143.04961	1.8
143.06039	4.7
146.99673	1.1
147.04367	1.8
147.11685	15.6
149.02396	1.1
149.13278	4.1
150.25215	1.0
151.11163	3.1
151.14790	1.6
161.05977	94.3
162.06335	3.7
165.05484	1.4
165.09102	1.1
165.12836	1.5
175.07564	2.3
175.11211	3.7
175.14824	33.6
178.02621	3.9
178.06247	1.2
193.04974	19.4
193.08592	18.8
193.10272	2.0
193.12242	6.1
193.15883	53.4
194.15465	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
51.81383	1.5
55.05510	19.7
57.07059	5.7
57.49771	1.4
64.94440	1.4
67.05502	19.9
69.03430	10.6
69.07067	16.3
71.04970	3.2
77.03905	1.6
79.05494	7.1
81.07057	24.7
83.04974	23.2
83.08618	10.9
85.06534	3.3
91.05482	8.0
92.94806	1.3
93.07034	18.0
95.04959	2.6
95.08600	49.2
97.06487	4.3
97.10136	4.2
105.07021	18.2
107.07861	2.7
107.08585	47.7
109.06502	13.6
109.10148	79.6
111.08085	9.5
117.06974	2.0
117.07854	1.4
119.08575	63.5
121.09307	2.7
121.10131	33.4
123.08054	34.9
123.11703	11.7
125.09595	2.4
133.10127	43.1
135.11685	97.2
136.11995	3.3
137.09596	33.7
138.10350	3.3
145.10170	1.8
147.11685	3.2
149.13254	22.1
151.11194	9.7
151.14803	12.2
165.12743	2.5
165.16376	5.5
175.14815	51.1
176.15253	1.6
182.97751	1.5
193.15869	100.0
194.16231	4.8
200.24606	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03935	2.5
55.01841	3.8
55.05505	24.4
57.03432	3.4
57.07070	8.0
59.04989	3.5
65.03915	2.2
66.04689	2.1
67.05496	24.6
69.03423	8.1
69.07059	39.5
70.62878	5.2
70.63241	1.9
71.04971	7.4
79.05072	1.6
79.05486	24.4
81.03394	5.5
81.06585	1.9
81.07043	36.7
83.04982	10.7
83.08604	18.8
85.06538	6.2
91.05464	21.9
93.07030	37.2
95.04948	14.5
95.08594	59.4
97.06522	19.2
97.10168	3.8
99.08078	3.4
103.05453	11.7
105.03369	3.7
105.07020	97.8
106.04842	1.8
106.07376	2.2
107.04964	3.5
107.08585	50.2
109.06506	38.1
109.10145	63.0
111.08088	10.6
111.11695	5.2
115.05447	13.4
117.06927	1.8
118.04134	7.6
119.08569	67.7
121.10132	26.5
122.03671	2.5
123.08051	34.7
123.11694	13.5
125.09659	2.1
129.06996	2.1
131.08554	3.5
132.05136	1.8
133.02844	23.7
133.06473	70.0
133.10114	97.9
134.07054	2.4
134.10551	2.1
135.08041	3.7
135.11678	90.4
137.05977	10.5
137.09593	28.1
138.10234	2.5
143.06030	3.1
147.08023	2.7
147.11667	13.8
149.02328	2.1
149.05963	2.8
149.13220	14.8
150.06674	3.0
151.07475	2.1
151.11134	7.6
151.14763	4.5
156.39085	1.7
161.05968	74.2
162.06305	2.7
165.05444	6.0
165.09090	5.8
165.12762	3.3
165.16406	3.0
173.13173	2.3
175.07495	1.9
175.11214	4.4
175.14810	100.0
176.15126	2.2
178.02591	16.5
193.04942	89.1
193.08575	26.9
193.12169	9.1
193.15858	96.8
194.05363	4.1
194.15675	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
52.92570	0.6
53.03945	2.6
55.01867	4.5
55.05496	3.2
56.96558	1.2
57.03434	21.4
57.07078	1.1
57.91267	0.6
59.05003	0.9
65.03946	1.4
66.04714	0.5
67.05497	7.8
69.03425	2.1
69.07054	1.8
70.73826	1.5
71.04998	1.0
75.04465	1.2
77.03925	1.1
77.97925	0.5
79.05485	13.4
81.03416	6.2
81.07048	6.5
82.43935	0.5
83.04971	2.2
83.08630	1.3
85.02874	0.6
85.06528	2.5
90.04691	0.7
91.05473	19.0
93.03444	0.6
93.07040	17.5
95.04962	9.9
95.08599	7.2
97.06509	1.4
97.10161	0.5
99.08146	0.7
103.05466	11.7
104.06271	1.0
105.07022	91.4
106.07358	1.3
107.04945	2.2
107.08563	4.9
109.06510	3.1
109.10139	6.6
111.04453	0.9
111.08062	1.1
115.05447	18.3
115.06261	0.9
117.07018	3.6
118.04150	9.4
119.04966	1.5
119.08572	26.9
120.05248	0.7
121.05645	1.0
121.06495	16.2
121.10110	2.0
123.04475	0.7
123.08059	1.8
123.11714	1.9
129.06995	2.0
131.04942	4.1
131.08578	1.8
132.05696	1.9
133.02850	3.9
133.06482	78.9
133.10103	11.8
134.06844	1.8
135.08083	3.4
135.11719	3.3
137.05980	2.8
137.09602	8.4
142.07770	1.7
143.04935	1.3
143.06035	4.5
145.06474	1.8
145.10103	0.9
146.07207	3.0
146.97394	0.9
146.99675	0.9
147.04405	1.3
147.08026	8.7
147.11678	12.5
149.02295	1.1
149.05980	1.5
149.13240	0.9
150.03094	0.9
150.06726	1.7
151.07567	2.0
151.11133	1.0
157.10092	2.5
160.08800	1.5
161.05971	100.0
162.06372	1.9
165.05446	1.0
165.09096	2.2
165.12706	0.6
175.11185	14.8
175.14793	4.4
177.50986	0.5
178.02565	2.9
178.06238	0.9
193.04958	16.3
193.08588	22.9
193.10141	1.2
193.12234	7.1
193.14102	1.1
193.15807	5.5
194.15442	1.0
208.06297	0.5
209.34140	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03937	0.7
55.01875	3.5
57.13485	0.5
67.05516	0.5
71.59769	0.9
79.05493	8.9
79.13266	0.5
81.07063	1.4
83.05009	0.6
87.85545	0.5
90.04695	1.1
91.05480	3.6
93.07045	0.8
95.04966	3.1
103.05462	11.2
105.07027	85.3
106.07388	0.9
109.06517	1.5
115.04671	1.1
115.05453	16.5
118.04165	9.5
119.08599	1.7
131.04932	2.1
132.05669	1.1
133.06488	83.4
134.06822	1.1
135.11667	0.6
137.05972	0.7
143.04930	1.7
143.06053	4.2
147.04401	0.8
147.11665	0.9
149.06032	0.7
151.11253	0.8
161.05977	100.0
162.06332	2.0
165.05461	0.7
169.20918	0.6
175.11166	1.3
175.14871	0.7
178.02602	1.0
193.04970	4.4
193.06758	0.9
193.08598	13.8
193.12262	2.2
194.09035	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0495
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
50.98233	0.2
51.02382	0.3
51.88186	0.3
52.90866	0.2
53.03936	0.4
54.65887	0.3
55.01857	0.5
55.05514	0.4
59.02617	0.3
67.05489	0.4
69.03426	0.4
69.67216	1.8
79.05490	0.9
81.03397	0.4
81.07046	0.6
83.04987	0.5
89.03898	0.8
91.05499	1.4
93.07036	0.7
94.04208	0.4
95.04960	1.0
95.08592	0.7
103.05476	0.9
105.03378	0.9
105.07021	6.4
107.08557	1.3
109.06505	0.7
109.10135	0.7
111.04414	0.4
113.06933	0.3
115.05441	1.3
117.03346	0.3
118.04166	0.5
119.04927	0.3
119.08587	1.9
121.10126	0.6
122.02833	0.5
122.03643	4.3
129.05348	0.3
133.02847	36.0
133.06483	5.3
133.10054	1.4
135.11671	1.1
137.05974	10.5
137.09607	0.4
147.04424	0.4
147.07980	0.3
147.11668	0.9
149.05972	2.4
149.13245	0.5
150.03125	3.2
151.11130	0.3
161.02377	0.4
161.05968	5.9
165.05472	3.4
175.11192	0.5
175.14807	2.1
178.02605	21.3
193.04953	100.0
193.15880	1.0
194.05289	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
55.05507	4.5
57.07057	1.2
65.03916	1.0
66.99231	0.8
67.05490	3.8
69.03081	1.0
69.03425	17.5
69.07056	6.8
69.57882	0.7
70.55807	2.5
71.04974	1.5
79.05480	5.0
81.07056	4.6
83.04973	14.1
83.08607	1.3
85.06538	0.8
91.05469	5.8
93.07047	7.3
95.04964	1.5
95.08582	4.9
97.06507	1.7
101.92304	0.7
103.05502	0.9
105.07020	10.1
107.04919	1.6
107.08587	23.8
109.06499	2.8
109.10131	4.2
109.70440	0.7
110.89244	0.7
111.08080	1.2
117.06998	2.7
119.07767	1.1
119.08572	7.8
121.06483	6.0
121.10137	15.2
123.08054	2.6
129.06995	1.3
131.08568	10.9
133.10120	41.2
134.10979	0.9
135.08044	15.8
135.11667	2.3
136.08789	1.1
137.09601	4.9
143.08549	4.4
144.09341	1.2
145.10110	4.7
147.11691	7.9
148.08827	1.3
149.09639	5.5
149.13225	5.9
158.10886	8.0
161.09644	4.7
163.14822	1.4
173.13243	19.9
176.11890	1.4
191.14290	100.0
192.14594	1.8
198.50380	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03951	1.2
55.05505	5.4
57.07069	2.5
59.04997	1.6
61.94988	0.9
62.99539	0.9
64.14550	1.0
65.03930	0.9
67.05495	6.4
69.03426	2.5
69.07064	9.2
70.86250	2.2
71.04983	3.6
76.87628	0.9
79.05495	6.7
81.07057	9.8
83.08601	2.7
85.06525	5.5
91.05476	20.8
93.07037	17.0
95.04951	3.9
95.08605	6.3
97.06530	11.9
101.60773	0.8
103.05455	2.4
105.07027	55.1
106.17496	1.1
107.04955	1.7
107.07875	1.2
107.08595	17.3
109.06496	2.8
109.10152	15.8
115.05394	1.2
117.07008	4.0
119.08574	32.7
121.06482	2.0
121.10142	16.9
123.08044	4.7
123.11691	10.3
129.06999	2.1
130.07762	1.1
131.08563	40.3
133.10124	100.0
134.65001	1.0
135.08043	9.0
135.11676	4.1
143.08548	4.3
144.09363	1.6
145.10107	17.4
147.11681	80.9
148.12079	1.6
149.09612	3.0
149.13263	6.3
151.30911	0.9
158.10913	5.5
163.07526	1.9
163.14815	3.8
173.13264	38.6
191.03441	1.3
191.07054	2.9
191.10645	1.4
191.14307	33.9
210.46306	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03945	1.0
53.10957	0.7
55.05505	2.8
57.07069	6.6
59.04998	2.4
67.05490	6.1
69.03416	1.5
69.07065	10.0
69.90063	2.8
69.90477	1.4
71.04977	1.8
79.05487	8.0
81.03442	1.9
81.07050	35.6
83.04976	0.8
83.08607	3.2
85.06539	3.3
91.05479	6.1
93.07038	9.9
95.04958	2.8
95.08603	10.3
97.06535	7.0
98.20702	0.8
103.05470	1.5
105.07018	12.8
107.04937	1.4
107.08587	20.8
107.83168	0.8
109.06537	3.8
109.10155	9.9
117.06992	1.1
119.08572	4.6
121.06487	3.1
121.10140	18.3
123.08066	9.8
123.11697	100.0
124.12045	0.9
131.04974	1.0
131.08557	10.2
133.10124	37.8
135.08052	8.7
135.11678	5.8
137.09575	3.3
143.08545	0.8
145.10129	4.7
147.11626	1.7
149.09572	2.8
149.13237	4.5
158.10870	2.9
158.59552	0.8
159.48907	0.8
163.07590	0.8
163.14801	8.5
173.13258	17.4
191.03433	2.1
191.07054	1.8
191.14296	52.5
193.97806	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47671	0.6
55.05499	3.3
57.07071	1.5
58.35143	0.6
67.05499	2.8
68.23065	0.6
69.03424	9.0
69.07050	3.7
69.52987	1.5
69.53394	4.5
73.63216	0.5
79.05486	8.4
81.07051	8.4
83.04974	1.9
83.08626	0.6
85.06537	0.8
90.15730	0.6
91.05469	6.6
93.07030	6.1
95.04961	1.8
95.08584	3.3
97.06511	0.6
105.07021	10.3
107.04948	5.4
107.08588	18.3
109.06525	2.6
109.10130	5.9
115.05447	1.5
117.07005	1.5
119.08555	3.6
121.06485	2.8
121.10129	10.7
122.07281	2.3
123.08055	2.9
129.06982	0.7
131.08537	6.3
133.10115	100.0
134.10423	1.4
135.04369	0.8
135.08035	6.8
135.11630	3.0
137.09599	20.4
143.08543	1.4
144.09308	1.0
145.10115	3.3
147.11665	3.6
149.09613	2.8
149.13252	8.8
157.06625	0.7
158.10852	3.2
163.03937	1.4
163.14799	2.6
167.91759	0.7
170.53052	0.7
173.11748	1.1
173.13229	12.9
191.03394	4.6
191.06931	1.3
191.14279	25.2
204.77739	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.4
55.05506	4.7
57.03432	0.9
57.07052	1.4
65.03932	1.2
67.05500	6.9
69.03417	10.6
69.07056	9.4
69.53003	2.1
69.53424	3.6
70.35907	0.7
71.04980	1.0
79.05488	6.9
81.07051	10.6
83.04551	0.8
83.04976	8.4
83.08598	2.6
85.06485	1.4
91.05478	6.4
93.07027	8.5
95.04958	10.0
95.08601	13.2
95.70090	0.9
97.06514	4.6
102.08289	0.8
103.05473	1.2
105.07018	8.2
107.04932	2.5
107.08584	28.9
109.06518	6.1
109.10142	2.7
111.08036	2.1
117.06998	1.6
119.08566	6.3
121.06493	12.0
121.10133	24.8
123.08057	4.8
129.06979	1.9
130.07796	0.7
131.04863	1.5
131.08546	11.9
133.06487	1.3
133.10118	12.8
135.04454	1.3
135.08046	12.7
135.11678	7.1
137.09584	1.5
143.08551	2.3
144.09251	0.7
145.10075	6.2
147.08020	2.1
147.11661	14.3
148.08870	4.7
149.09604	12.2
149.13243	10.2
158.10921	5.7
161.09558	1.1
163.03918	1.3
163.11160	0.8
163.14818	7.1
173.13237	19.6
176.11984	1.4
191.03394	3.4
191.14279	100.0
192.14624	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03936	0.5
55.05505	2.9
57.03433	0.7
57.07067	0.6
65.27145	0.3
67.05507	2.4
69.03429	7.4
69.07060	3.3
70.74250	1.0
70.74609	0.5
71.04997	0.7
77.03882	0.4
79.05489	5.0
81.03423	0.5
81.07053	5.6
83.04983	2.2
83.08607	0.6
85.06556	0.4
91.05468	4.1
93.07047	3.8
95.04945	0.8
95.08611	2.5
97.06539	0.5
99.72522	0.4
103.05491	0.5
105.07021	9.0
107.04943	2.2
107.08585	17.4
109.06509	1.6
109.09440	0.7
109.10151	6.1
111.08045	0.4
115.05479	0.9
117.07037	1.1
118.07800	0.7
119.08582	3.1
121.06503	1.5
121.10132	11.2
122.07279	2.7
123.08052	1.4
129.07039	0.5
131.08548	4.5
133.10120	100.0
134.10408	1.8
135.08051	3.9
135.11714	1.2
137.09605	16.2
143.08539	1.2
145.10085	2.3
145.80479	0.4
147.11662	2.8
149.09633	1.4
149.13243	9.4
158.10904	2.9
161.09610	0.6
163.14778	2.0
173.13255	10.4
191.14291	20.0
192.14732	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	8.1
56.74290	2.0
57.07059	3.6
65.03925	2.9
67.05490	7.7
69.03413	7.6
69.07076	14.9
71.03513	4.9
71.04985	3.7
79.05469	10.7
81.07053	27.6
83.04961	9.7
83.08630	5.6
85.06518	4.9
90.57086	2.4
91.05484	15.1
93.07042	32.5
95.04955	7.6
95.08606	31.4
97.06503	8.2
99.19941	2.3
103.05467	4.1
105.07034	32.1
107.04949	26.5
107.08590	70.6
109.06513	18.2
109.10150	6.7
111.08070	7.5
117.07036	6.8
119.08574	16.5
121.06502	52.8
121.10137	75.7
123.08057	23.0
123.11741	2.6
126.42432	2.1
129.07025	4.0
131.08574	34.8
133.10126	34.9
134.56639	2.1
135.08067	26.1
135.11702	7.2
138.06711	1.8
143.08553	4.0
144.09302	2.8
145.10106	16.6
147.11696	21.4
149.09618	21.7
149.13243	16.3
158.10927	7.1
163.07542	2.5
163.11201	5.2
163.14835	21.5
173.13257	57.4
191.14307	100.0
192.14711	3.4
193.03758	2.2
200.40794	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	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03940	2.6
55.05511	9.3
57.03440	2.0
57.07073	2.5
60.38184	1.6
61.19251	1.5
67.05483	5.7
69.03441	8.2
69.07063	12.2
70.38559	7.2
70.38915	1.7
71.04978	2.3
79.05481	11.4
81.06641	2.1
81.07062	21.8
83.04973	10.1
83.08624	3.2
85.06538	4.8
91.05479	18.1
91.59853	1.7
93.07040	25.9
95.04950	4.4
95.08599	30.0
97.06532	9.0
105.07030	25.8
107.04295	2.1
107.04955	22.2
107.08595	69.8
109.06522	19.0
109.10132	7.7
111.08082	6.0
116.06067	1.5
117.06992	3.9
119.08586	14.2
121.06506	46.2
121.10143	73.6
123.08078	18.0
129.06946	2.3
131.08563	32.0
133.10127	34.2
135.08043	24.7
135.11679	7.0
143.08553	2.5
144.09308	2.6
145.10146	12.4
147.11681	19.2
149.09619	26.6
149.13243	20.6
158.10905	5.6
160.94252	1.7
163.11137	3.0
163.14810	21.6
168.65460	2.0
173.13261	42.3
176.11784	2.4
191.14299	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
54.74936	1.1
54.82544	1.1
55.01863	1.7
55.05505	8.0
57.03413	1.2
57.07069	1.2
67.05493	7.1
67.45228	1.2
69.03427	10.3
69.07057	13.7
71.04976	4.6
71.32062	2.4
78.04713	1.1
79.05484	15.3
81.07059	23.2
83.04993	11.1
83.08624	3.2
85.06531	5.7
91.05477	19.6
93.07044	28.7
95.04987	6.9
95.08601	25.7
97.06510	11.1
99.08095	1.4
103.05454	5.5
105.07021	29.0
107.04949	21.6
107.08587	69.6
109.06514	16.8
109.10164	6.3
111.08131	6.1
116.06245	2.0
117.07014	4.5
119.08568	16.6
121.05814	1.0
121.06496	43.0
121.10134	70.9
122.10488	1.3
123.08064	21.0
123.11684	2.0
126.26085	1.8
129.07014	1.9
131.08568	35.6
131.81827	1.4
133.10121	41.3
135.08052	27.1
135.11661	7.6
143.08514	4.7
144.09320	3.0
145.10130	14.7
147.07948	1.7
147.11674	20.3
149.09616	31.2
149.13240	17.4
158.10881	5.9
163.11174	5.1
163.14821	19.9
173.13261	45.5
174.13664	1.4
191.06956	1.8
191.14299	100.0
212.72707	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59488	0.4
53.03934	0.5
54.70100	0.4
55.01874	0.4
55.05516	1.9
57.03423	0.4
57.07077	0.6
59.04996	0.6
67.05505	2.2
69.03426	6.2
69.03979	0.4
69.07060	2.8
70.14828	2.1
71.04980	0.9
79.05483	3.1
81.07055	2.9
83.04977	5.2
83.08601	1.1
85.06490	0.7
87.70328	0.4
91.05476	4.1
93.07035	3.5
95.04939	1.2
95.08620	2.6
97.06519	2.2
97.55782	0.4
99.08095	0.4
103.05461	0.9
105.07025	9.5
107.04906	0.9
107.08587	12.3
109.06506	2.6
109.10159	1.9
117.07002	2.0
119.08572	3.7
121.06515	2.2
121.10126	8.2
123.08102	2.1
123.11635	0.7
125.38472	0.4
129.06969	1.0
130.07793	0.5
131.04951	0.7
131.08560	8.9
133.10123	29.9
135.08040	6.8
135.11685	0.5
143.08556	1.7
144.09398	0.9
145.10126	5.0
147.11676	5.3
149.09602	2.2
149.13251	4.3
158.10893	4.3
158.84996	0.4
161.09639	2.2
163.07538	0.6
163.14789	1.3
165.47775	0.4
173.13260	16.3
176.11945	1.1
191.03336	0.8
191.06929	1.6
191.14294	100.0
192.14639	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.01792	1.8
53.03946	2.1
55.05495	5.4
57.07052	3.2
65.03934	1.9
67.05482	7.9
69.03407	2.9
69.07058	10.9
69.99396	1.8
70.01077	12.0
71.04964	5.7
79.05480	16.9
81.07034	7.2
83.04974	3.8
83.08621	5.1
85.06517	4.8
91.05471	19.9
93.07042	12.7
93.07559	2.5
94.99857	1.9
95.04963	5.3
95.08575	7.1
97.06519	6.1
98.20891	3.1
98.21408	2.7
103.05463	3.0
105.07019	42.1
107.04942	2.9
107.08585	65.7
109.06518	16.4
109.10146	11.5
115.05402	3.2
117.06972	6.5
119.08560	38.3
121.06437	3.2
121.09317	2.4
121.10136	30.6
123.08050	4.9
123.11638	4.4
129.07004	5.7
131.04950	2.4
131.08559	40.2
133.10124	100.0
135.08031	18.3
135.11697	8.1
141.22736	2.4
143.08549	10.0
144.09357	3.5
145.06459	2.6
145.10092	23.2
147.11673	17.5
149.09535	4.4
149.13240	25.5
158.10898	17.5
159.44193	2.3
163.03963	2.5
163.11189	5.0
163.14824	11.0
173.11743	3.8
173.13246	74.9
191.03226	3.8
191.06998	4.9
191.14296	69.6
197.81682	2.2
212.67099	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	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14594	1.4
55.05485	4.4
57.03417	2.2
57.07063	4.8
59.05009	1.5
65.31141	1.4
67.05503	12.1
69.03419	4.3
69.07072	12.4
69.66801	1.3
69.67912	10.5
71.04979	8.3
79.05476	9.3
81.07061	13.0
83.04971	3.6
83.08611	2.3
85.02921	1.6
85.06547	8.1
91.05476	16.9
91.22430	1.4
93.07035	14.8
95.04967	19.5
95.08584	10.4
96.60726	1.4
97.06509	6.0
98.21542	1.6
103.05470	2.6
105.07028	37.0
107.04957	2.7
107.08590	27.8
109.06514	30.0
109.10146	31.0
112.15619	1.8
115.05438	3.3
116.06275	1.9
117.07011	9.2
119.08573	15.2
121.06485	4.1
121.10135	17.8
122.19582	1.4
123.08054	8.4
123.11694	3.5
129.07011	3.1
130.07780	2.5
131.04889	2.8
131.08557	39.1
133.10124	100.0
135.08055	33.5
135.09096	1.7
135.11720	2.6
136.15205	1.4
137.13153	1.5
138.23671	1.5
143.08571	6.8
144.09271	3.5
145.10123	21.4
147.11708	14.2
149.09630	7.3
149.13260	15.5
158.10915	11.4
159.00021	1.6
161.09613	1.9
163.11177	3.6
163.14801	3.1
173.13258	58.3
174.13615	1.6
191.03401	3.9
191.07005	4.8
191.10648	3.4
191.14304	77.2
192.14578	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.42937	1.1
55.05497	4.2
56.96560	2.7
57.03423	1.9
57.07082	1.8
59.04992	1.9
63.41420	1.1
67.05506	8.8
69.03416	3.1
69.07069	9.4
69.66553	7.2
69.66968	2.1
71.04984	6.2
74.42699	1.1
79.05491	5.9
81.07049	9.2
83.04986	1.4
83.08611	6.7
85.02895	2.1
85.06526	3.3
91.05486	15.0
93.07041	11.7
95.04967	7.6
95.08594	8.4
97.06524	7.1
98.97586	5.9
103.05437	2.4
105.07024	31.1
107.04954	2.1
107.08597	26.0
109.06515	23.0
109.10150	22.9
109.10832	2.4
111.08062	1.8
116.98608	4.6
117.07013	4.6
117.07768	1.2
119.08582	18.5
121.06490	14.9
121.10134	18.2
122.06817	1.1
123.08038	9.6
123.11739	8.6
129.06969	1.7
130.07823	1.3
131.08563	34.4
133.10123	100.0
134.10452	1.6
134.52855	1.4
135.08035	22.9
135.11674	2.2
136.57448	1.3
143.08548	4.9
144.09355	2.3
145.06488	1.4
145.10121	18.4
147.11690	13.9
148.08745	1.3
149.09578	5.9
149.13232	21.6
158.10902	14.4
158.99654	2.4
161.09555	1.2
163.11140	1.8
163.14806	3.6
171.11621	1.2
173.13258	62.5
177.00710	3.2
179.04619	4.0
179.54715	2.2
188.54936	5.6
191.03459	1.8
191.10686	2.6
191.14299	56.6
192.14694	1.5
214.03923	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	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
55.01869	1.5
55.05508	4.7
57.03427	1.7
57.07050	2.2
57.27888	0.9
65.03934	1.3
67.05501	5.5
69.03421	3.0
69.07058	7.8
69.73500	5.2
71.04978	2.8
72.79337	0.9
79.05483	8.4
81.07052	11.0
83.04967	4.3
83.08601	2.6
85.06541	4.3
91.05476	17.4
93.07034	13.1
95.04970	6.1
95.08595	7.5
97.06526	9.3
103.05470	3.5
105.07024	33.4
107.04942	1.6
107.08585	24.0
109.06513	7.8
109.10139	7.9
111.08052	1.6
115.05442	1.7
116.06238	1.9
117.07048	7.0
118.04137	1.1
119.08575	19.3
121.06499	5.1
121.10134	17.5
123.08089	5.4
123.11696	3.7
129.06998	3.5
130.04155	0.9
130.07813	1.8
131.04932	2.9
131.08562	33.5
133.10124	100.0
135.08040	14.5
135.11687	4.1
143.08556	5.9
144.09335	2.3
145.06487	1.2
145.10118	16.4
147.08037	1.4
147.11674	21.8
148.05190	1.5
149.09642	5.3
149.13274	8.8
150.10338	1.7
158.10916	9.6
161.09567	1.8
163.07526	1.6
163.11209	1.9
163.14830	3.8
173.13258	46.2
191.03345	2.8
191.06990	3.6
191.10666	3.3
191.14293	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0498
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
56.96557	0.3
57.07077	0.3
58.06600	0.3
60.04520	0.4
67.05164	0.2
67.05496	0.7
69.03438	0.2
69.07095	0.2
69.47938	0.2
71.57719	0.2
84.08145	1.8
85.06539	3.4
86.09731	0.2
89.03873	0.9
102.09176	2.5
116.04961	2.3
126.12799	0.5
133.63425	0.2
134.06030	0.3
134.50398	0.2
144.04410	0.3
144.10193	2.6
144.13838	1.5
148.09657	0.9
161.05882	0.2
162.05493	100.0
163.05850	2.0
185.07014	0.2
190.04980	37.7
190.14360	0.4
191.05284	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03944	1.2
55.05503	6.3
56.96557	1.2
57.07068	0.9
65.03938	0.8
67.05501	17.7
67.07343	0.4
69.03421	0.7
69.07064	5.4
70.89352	0.6
71.68091	0.4
71.68557	0.4
79.05491	8.4
81.07053	82.3
82.07382	0.8
83.08612	2.5
91.05475	10.0
93.06464	1.0
93.07041	15.6
93.98507	0.4
95.04967	1.5
95.08601	100.0
96.08927	1.1
97.10168	0.8
103.05444	0.6
105.07027	31.0
106.07353	0.4
107.08588	20.2
109.06519	0.9
109.10149	38.6
110.10503	0.5
111.04439	0.7
115.05440	0.8
117.06991	2.0
119.04945	0.5
119.08575	34.3
121.10139	9.0
122.87700	0.5
123.11712	1.0
124.04639	1.0
124.87675	0.4
124.97610	0.6
128.06238	0.9
129.06950	1.1
130.07791	0.4
131.08575	4.1
133.10123	38.0
133.27110	0.6
134.10602	0.6
135.55440	0.4
141.06989	0.9
142.98625	0.8
143.08589	2.2
145.10124	5.1
146.04088	0.7
146.10883	1.3
147.08051	1.6
147.11673	21.4
149.02339	1.9
156.09315	3.9
159.11586	0.9
161.09573	1.2
161.13245	8.8
161.89163	0.5
163.02792	1.1
171.11696	6.5
174.10376	1.2
181.03845	0.7
189.05423	1.2
189.09134	2.6
189.12743	13.8
189.16370	88.3
189.63248	0.5
190.04941	0.8
190.08630	1.0
190.16725	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	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03936	2.1
53.79062	0.8
55.01868	1.0
55.05507	8.1
56.96561	1.7
57.07066	0.8
59.41101	0.7
62.69602	0.8
65.03928	1.2
66.52528	0.7
67.05499	16.9
67.73042	0.6
69.03412	1.4
69.07059	6.1
70.79623	2.3
73.15264	0.8
75.97275	0.6
79.05483	7.9
81.07052	80.4
83.08600	2.3
84.04504	0.9
89.54922	0.8
91.05475	13.4
93.07034	15.7
94.11885	0.8
95.04949	2.0
95.08599	100.0
96.08927	1.6
97.10175	1.4
97.99159	0.7
103.05528	1.1
105.07021	40.6
107.08589	18.9
109.06519	0.8
109.10151	38.1
115.05464	1.7
117.07001	2.1
119.04910	1.5
119.08572	37.1
121.06490	1.1
121.09303	1.2
121.10127	9.6
124.04644	1.4
128.06218	2.2
129.07004	1.9
131.08530	6.1
133.05151	1.5
133.06456	2.6
133.10124	41.1
141.06956	1.6
142.98640	1.1
143.08517	4.1
145.06483	0.9
145.10112	8.2
146.07170	1.0
146.10876	1.0
147.04367	0.7
147.08046	3.7
147.11671	22.8
149.02357	1.7
156.09314	8.2
159.11678	2.5
160.08833	1.1
161.06020	1.3
161.09598	5.5
161.13231	9.3
166.00349	0.8
168.53358	0.9
171.08221	0.8
171.11659	13.0
174.06750	0.9
174.10416	2.3
189.05414	2.0
189.09114	7.4
189.12732	28.3
189.16365	91.8
190.08702	1.0
190.16641	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1636
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03928	1.0
55.05506	7.4
56.96543	2.3
57.07055	0.8
60.39351	0.7
62.41725	0.7
65.03922	1.3
67.05500	20.1
69.03407	2.2
69.07067	8.5
69.43019	8.2
79.05132	0.8
79.05492	8.9
81.07051	71.2
83.04959	1.2
83.08610	4.0
83.78226	0.7
85.02895	1.3
85.04811	1.3
91.05478	16.0
93.07041	19.2
95.04964	1.2
95.08601	100.0
96.08979	0.8
97.10165	2.1
97.46191	0.8
98.20730	1.0
105.07025	46.9
107.08592	21.5
109.06491	1.5
109.10151	34.8
115.05426	1.7
115.99726	1.0
117.06979	3.1
119.08577	46.0
121.06483	1.1
121.10136	11.7
123.11665	1.4
128.06174	2.4
129.06990	1.8
130.07736	1.7
130.87662	0.9
131.08562	7.1
133.05148	1.2
133.06499	1.7
133.10124	47.2
141.06964	2.1
142.98615	1.4
143.04895	1.6
143.08553	4.4
145.10106	8.0
145.47566	0.9
146.04143	2.1
146.10886	1.4
147.08026	3.2
147.11687	31.4
147.17424	0.9
149.02345	2.2
156.09332	10.7
157.54884	1.0
158.07281	1.9
159.04468	1.9
159.08052	1.8
159.11687	4.1
160.12354	0.9
160.99695	1.1
161.09593	4.5
161.13243	12.3
165.42569	0.9
171.11674	13.9
174.06772	7.7
174.10371	3.7
189.05391	2.4
189.09128	12.4
189.12730	31.4
189.16367	96.5
190.04953	1.4
190.08638	2.3
190.16765	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.9
59.05001	5.3
68.94743	1.1
69.03406	2.1
69.07082	1.2
71.59429	2.1
77.64572	1.0
79.05490	2.3
81.07014	1.4
83.04983	7.2
91.05475	39.0
92.05786	1.2
93.07015	2.0
95.04948	3.1
103.05434	1.5
105.07018	29.6
107.08598	1.8
109.06509	7.7
115.05433	2.1
116.06233	5.1
117.06996	7.2
119.04935	62.3
119.08575	43.6
128.06210	7.2
129.06152	1.4
129.07010	14.9
130.07774	3.0
131.08556	59.5
133.06477	4.7
133.10109	5.6
141.06958	8.9
142.07788	6.4
143.08554	29.2
143.09680	1.7
144.09207	1.3
145.06470	2.1
145.10106	20.9
146.07272	1.0
147.08040	42.4
147.11687	8.8
153.06799	1.0
155.08493	3.5
156.09338	82.5
157.09854	1.5
159.08054	2.8
159.11682	12.1
160.08723	1.2
161.09602	4.9
161.13254	6.4
171.11676	100.0
172.12024	2.9
174.06720	2.9
174.10402	4.7
189.09114	6.2
189.12724	62.7
190.12997	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.6
57.07056	1.0
59.04988	1.1
67.05492	1.9
67.39819	0.7
69.03420	4.3
69.07048	2.7
69.64817	3.3
69.65246	3.0
79.05473	3.6
81.03379	1.6
81.07027	3.2
83.04962	2.6
84.04517	6.7
85.02910	1.7
85.04831	5.9
86.03246	1.5
91.05472	11.7
91.77734	0.9
93.07038	4.1
95.04974	2.3
95.08617	1.4
103.05447	0.9
105.07028	24.2
107.04913	2.0
107.08572	5.3
109.06500	2.5
115.05408	1.5
117.07009	4.7
119.04962	1.7
119.08577	27.5
120.08939	1.0
121.06522	1.6
121.10118	2.3
128.06201	6.0
129.06987	5.7
130.07761	0.9
131.08549	12.9
133.06508	5.5
133.10126	21.8
135.08037	3.7
141.07007	4.7
142.07738	1.5
143.08563	10.3
144.09337	1.9
145.06462	3.3
145.10109	11.6
146.07213	1.2
146.10846	1.5
147.08041	14.1
147.11682	28.9
148.12006	1.4
149.09520	1.2
156.09337	32.1
157.09608	1.2
159.08038	14.4
159.11693	9.1
160.08798	3.4
161.05997	1.3
161.09621	13.2
161.13255	13.7
163.92912	0.9
171.08005	1.1
171.11679	37.2
172.12088	1.2
173.09639	1.0
174.06757	4.1
174.10403	29.7
175.10672	1.3
189.05342	1.5
189.09148	11.2
189.12732	100.0
190.13043	2.2
190.77831	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.4
55.05510	5.1
56.16724	0.8
57.54622	0.7
59.04985	0.9
62.67841	0.7
67.05485	3.0
69.03081	0.9
69.03427	14.0
69.07066	3.8
71.05271	2.0
79.05478	3.7
81.07042	4.7
83.04961	3.0
86.50021	0.8
91.04966	1.0
91.05481	10.8
93.07040	6.3
95.04938	2.9
95.08598	2.0
103.05481	1.1
105.07029	32.9
107.08582	4.9
109.06493	2.3
115.05426	1.6
117.07028	6.4
119.04963	5.6
119.08572	42.8
121.06474	2.6
121.10104	1.6
128.06216	3.6
129.07025	4.6
130.07777	2.2
131.08542	7.6
133.06520	4.4
133.10133	15.1
135.08058	6.2
141.06987	4.4
142.07854	1.0
143.08549	12.6
144.09288	1.2
145.06444	2.5
145.10106	14.0
146.07288	1.1
146.10901	1.7
147.08038	17.2
147.11684	28.0
155.08533	1.8
156.09334	30.3
159.08054	7.3
159.11674	8.1
160.08835	2.9
161.09610	6.4
161.13255	22.9
171.11678	43.8
172.11954	1.2
174.10417	10.0
183.21144	0.8
189.12732	100.0
190.13017	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	3.6
70.72719	2.5
70.73080	2.5
71.04990	1.4
79.05482	1.6
84.04504	1.5
85.04839	2.0
91.05479	2.8
93.07017	2.3
105.07033	9.6
107.08574	1.8
119.08574	16.8
121.10125	1.4
128.06186	2.2
129.06979	1.1
130.07771	1.8
131.08592	6.9
133.06490	1.9
133.10138	7.1
141.06989	4.2
143.08546	3.1
145.10123	9.6
147.08029	7.4
147.11668	10.7
147.56052	1.0
156.09348	29.4
159.08089	5.6
159.11728	7.9
160.08829	1.4
161.09557	2.6
161.13264	5.4
162.13857	1.1
171.11696	47.7
174.10388	9.5
189.12743	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09201	0.5
55.05500	1.4
57.07051	0.5
61.37872	0.5
63.57064	0.4
64.09040	0.5
67.05473	1.5
69.03419	4.4
69.07066	1.0
71.04998	0.6
71.59895	0.7
71.60265	1.1
79.05476	1.7
80.16768	0.5
81.03381	0.6
81.07029	1.1
83.34825	0.5
84.04465	1.1
85.04800	1.1
90.04291	0.5
91.05472	6.4
93.07018	2.2
95.04926	0.6
95.08609	0.8
103.05447	0.8
105.06381	0.9
105.07025	11.8
107.08582	2.9
109.10168	0.6
115.05435	4.7
116.06294	0.6
117.07011	4.4
119.04884	0.6
119.08575	16.0
121.10123	0.9
128.06175	2.6
129.07001	3.8
130.07782	3.9
131.08562	8.1
133.06509	3.8
133.10127	4.3
141.06990	6.8
141.55437	0.6
142.07755	0.9
143.04913	2.3
143.08549	5.7
144.09319	2.1
145.06454	1.1
145.10110	16.9
146.07243	0.8
146.10873	0.7
147.04396	1.0
147.08034	5.6
147.11678	11.4
148.08540	0.6
155.08534	1.7
156.09334	46.3
157.09677	1.0
159.08063	4.2
159.11697	11.1
160.08789	1.5
161.05974	3.7
161.09566	1.9
161.13264	2.3
171.11679	65.3
172.12016	2.5
174.10358	6.1
175.10820	0.6
186.54994	0.6
189.05446	11.2
189.09218	3.4
189.12724	100.0
190.08676	0.8
190.13023	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0917
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
52.84008	0.3
55.05508	0.5
56.05033	1.8
57.03426	1.1
59.05005	2.5
60.04516	0.9
61.02924	7.3
68.05042	0.3
69.03428	1.2
70.02954	1.6
70.93424	0.7
70.93763	0.4
71.04993	0.9
72.04520	0.5
75.04477	0.7
78.38538	0.3
79.05436	0.3
81.06594	0.4
82.06576	2.3
83.04987	3.9
83.80574	0.4
84.04500	100.0
85.02901	17.5
85.04810	0.7
86.06056	0.9
86.82216	0.3
87.04464	5.7
91.05479	0.4
91.17897	0.3
98.06052	0.4
100.07620	1.5
100.65891	0.3
101.06060	0.4
105.05563	0.3
105.07010	0.9
110.06037	3.1
111.04453	1.4
118.06499	0.9
119.08538	0.8
126.05508	4.1
128.06200	0.7
128.07068	5.0
129.05479	1.4
129.06970	0.4
131.08517	0.4
133.06573	0.3
133.10114	0.4
137.11691	0.3
145.10123	0.5
146.05998	0.6
146.08087	0.7
147.06552	0.5
154.24588	0.3
155.65759	0.3
156.09387	1.8
156.84158	0.3
159.08162	0.3
159.11794	0.5
170.08159	0.8
171.11659	2.0
174.10400	0.7
188.07373	0.4
188.09184	14.0
189.05452	0.4
189.12753	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	188.0917
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
52.83353	0.2
53.22186	0.3
55.05500	1.1
56.05035	1.8
56.96553	0.3
57.03428	1.1
57.07064	0.2
58.06589	0.4
59.04992	2.1
60.04522	1.3
61.02920	7.5
67.05502	0.6
68.05016	0.4
69.03413	0.7
70.02943	1.9
71.04990	1.3
71.13335	0.3
71.13685	0.5
71.64104	0.3
72.04507	0.5
74.06059	0.3
75.04475	0.8
77.65424	0.2
81.07030	0.4
82.06577	2.5
83.04974	3.6
84.04494	100.0
85.02894	17.8
85.04814	1.1
86.06045	0.8
87.04456	7.0
91.05486	0.6
96.04475	0.6
98.06025	0.6
99.04454	0.4
100.07625	1.7
101.05971	0.3
105.05492	0.3
105.07024	0.7
107.08591	0.3
110.06028	2.4
111.04406	1.4
112.03954	0.3
113.77586	0.3
118.06499	0.4
119.08578	0.5
121.06484	0.3
124.07622	0.5
126.05505	5.5
128.07060	4.9
129.05472	1.8
131.08530	0.3
132.08881	0.4
133.10135	0.4
138.58424	0.3
142.08670	0.5
143.08548	0.3
145.10152	0.2
146.05995	0.4
146.08136	0.8
146.10420	0.3
147.06573	0.4
156.09320	0.4
157.06462	0.3
160.09709	0.4
161.05981	0.3
161.09628	0.4
161.13336	0.3
161.99773	0.2
170.08133	1.3
171.06549	0.6
171.11653	0.6
188.07497	0.7
188.09181	13.8
188.11421	1.1
188.15154	0.4
189.09157	1.2
189.12692	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0705
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
51.01206	0.3
70.73640	0.6
74.11153	0.3
74.23740	0.3
84.04507	3.4
85.02893	0.9
91.05470	3.3
98.97588	0.3
103.05473	0.5
108.99308	0.3
115.05441	4.2
116.10096	0.3
117.05727	1.0
117.07021	3.9
118.06539	58.8
119.06862	0.8
128.04948	0.5
132.08098	0.5
142.06517	5.0
143.07307	10.2
144.04440	0.7
144.08081	24.2
145.06491	1.1
145.08392	0.4
146.06004	100.0
147.06361	1.7
155.06068	0.6
160.07613	1.2
170.05997	8.2
188.07065	29.2
189.07361	0.7
189.12775	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43911	0.4
55.03437	0.5
61.02914	1.1
64.97125	0.5
70.02964	0.5
70.53285	1.0
70.53654	1.1
81.76982	0.4
83.04988	0.6
84.04505	7.9
85.02892	1.8
91.05480	3.8
110.06006	0.5
115.05444	5.8
117.05769	1.3
117.07017	4.7
118.06540	66.8
118.72937	0.6
119.06924	0.6
128.07083	0.7
130.93484	0.5
142.06520	6.1
143.07295	10.6
144.04427	0.9
144.08086	23.6
145.06441	0.9
146.06006	100.0
147.06328	2.2
155.06009	0.7
160.07526	0.8
170.06018	8.9
178.73854	0.5
188.07071	33.6
188.09058	1.9
189.07492	1.0
189.12828	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.148
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
55.05503	1.1
55.27711	1.0
57.42006	0.9
62.45977	0.9
66.06549	0.9
67.05483	1.2
69.03429	1.3
70.02700	5.1
76.94469	0.9
81.03412	2.2
81.07042	2.7
83.08609	1.0
84.04497	3.8
85.02894	2.2
88.02196	4.0
91.05485	2.5
105.07025	5.6
105.82981	1.0
110.59685	1.0
114.05567	1.0
117.06995	4.0
119.08596	8.0
127.03931	1.8
129.06973	2.3
130.07788	5.4
131.08592	5.8
133.10127	1.4
143.08624	4.8
144.09337	1.4
145.10112	100.0
146.10387	2.0
157.10100	4.0
158.10898	6.1
159.11710	13.0
170.08194	1.1
172.08717	1.0
172.12492	4.0
173.00838	1.4
187.11185	2.5
187.14809	75.8
188.15112	3.4
189.82207	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1327
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
51.10406	1.5
53.09409	1.3
55.01854	2.5
55.05495	7.1
56.35785	1.2
57.03411	1.9
57.07056	5.6
57.07318	1.4
67.05500	63.2
69.03430	2.8
69.07058	10.5
70.95571	4.1
71.04989	69.8
79.05474	14.6
81.07053	50.3
83.04958	7.4
83.08626	1.6
84.04509	1.6
85.06538	100.0
91.05474	35.5
92.92918	1.4
93.07056	13.5
95.04974	3.0
95.08591	5.3
97.06507	2.2
101.77991	1.3
105.07025	39.2
107.08588	33.8
109.06521	5.1
109.10148	54.5
110.10480	1.8
113.06029	2.8
123.08038	2.2
123.11681	7.4
125.09608	2.7
131.08531	1.9
133.10118	84.3
134.10445	2.5
135.64561	1.6
139.11159	1.6
146.69283	1.6
151.11168	46.1
169.12242	19.0
187.11200	1.8
187.13251	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1328
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
51.16853	2.0
55.05508	10.2
57.03448	4.6
57.07068	7.3
59.04996	3.3
61.02914	3.7
62.00167	2.3
65.28429	2.1
67.05502	57.2
69.03420	9.5
69.07063	8.5
71.04995	75.3
71.59034	3.5
79.05515	13.5
81.03436	3.0
81.07053	51.8
83.04984	5.1
83.08629	3.9
84.04032	4.1
84.04503	42.3
85.02905	10.3
85.06542	100.0
87.04453	3.2
88.02224	11.8
91.05480	42.0
93.07035	16.6
95.04948	5.0
95.08620	9.1
97.06522	4.9
99.04482	3.4
105.07031	48.6
107.08594	37.3
109.06498	6.0
109.10155	56.4
111.29036	2.1
113.06025	2.5
117.06981	4.8
123.08066	3.8
123.11688	11.2
126.05544	4.3
129.06979	5.0
131.08531	15.1
133.09111	4.9
133.10124	84.3
138.80054	2.3
145.10133	19.6
151.11186	48.8
159.06935	3.2
159.08087	6.7
159.11716	10.8
169.12257	17.4
170.08170	3.1
172.05293	2.6
172.12491	4.4
173.00783	11.6
182.03250	3.0
187.02379	2.9
187.03931	3.2
187.07596	12.7
187.11267	14.2
187.13287	4.6
187.14804	21.6
188.09180	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	187.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
57.33271	0.4
70.86263	1.1
70.86606	0.6
79.05500	3.6
91.05472	3.5
95.04965	0.9
105.07023	2.3
115.05443	1.8
116.06243	0.8
117.07025	3.2
119.08542	1.6
121.06477	4.0
128.06203	2.2
129.06963	7.1
130.07748	2.1
131.04944	0.6
131.08560	14.8
141.06975	5.8
143.08546	0.8
144.05678	4.6
144.09325	4.2
145.06445	7.4
145.10080	1.0
146.07249	5.3
147.08046	1.8
153.06973	1.5
154.07768	3.3
157.06470	7.7
158.07259	30.2
159.08041	39.7
159.11664	11.0
169.07639	0.9
169.10110	5.7
171.08096	1.5
172.08817	39.1
173.09183	0.6
185.09605	0.8
186.89774	0.5
187.11162	100.0
188.11499	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.05501	1.2
56.96548	1.2
58.48641	0.6
64.61529	0.6
66.94864	0.5
67.05506	1.2
69.03403	2.2
69.07048	0.8
71.04984	0.6
71.60329	0.9
79.05493	4.7
81.03404	2.1
81.07032	1.1
83.04926	0.7
83.08607	1.3
84.04507	4.2
85.02902	0.9
88.02217	4.2
91.01848	0.6
91.05479	2.6
95.04969	1.1
95.08603	1.2
97.02870	0.8
99.04450	1.2
104.99281	0.9
105.03424	0.6
105.07013	2.4
115.05463	1.9
116.06166	0.6
117.07021	3.9
119.08535	1.8
119.97311	1.0
121.06490	3.4
121.43593	0.6
123.08078	0.5
123.28656	0.6
127.03905	1.4
128.06223	2.6
128.97858	1.8
129.06992	8.4
130.07787	2.0
131.04942	1.5
131.08569	17.5
131.92499	0.5
133.10107	0.6
137.98381	1.1
140.48622	1.3
141.06998	7.1
142.07719	1.0
143.08565	2.5
144.05696	3.5
144.09337	4.8
145.06493	9.0
145.10143	3.8
146.07245	4.9
147.08043	1.5
149.49184	0.9
153.06940	1.0
154.07768	4.2
157.06488	8.5
157.10098	1.3
158.07278	28.8
159.08054	39.1
159.11673	14.9
160.08357	0.8
161.00029	1.0
169.07645	0.9
169.10112	4.9
171.08075	1.5
172.08827	35.9
173.00826	1.6
173.09157	0.7
185.09628	0.7
187.02367	0.8
187.11180	100.0
187.22499	1.1
188.11559	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01865	0.4
55.05508	0.7
56.96564	1.7
57.07058	0.9
67.05486	0.7
69.03415	1.0
69.07039	0.4
79.05492	3.9
81.03423	1.0
81.07045	0.9
82.08915	0.3
83.08597	0.4
84.04489	1.4
85.02905	0.8
88.02216	2.3
91.05461	2.9
93.07005	0.5
95.04943	1.5
95.08594	0.4
97.02312	0.5
97.02889	0.3
102.09169	0.9
103.05429	0.4
104.90835	0.4
105.03371	0.6
105.07025	3.2
109.06583	0.4
115.05440	1.4
116.06235	0.9
117.07005	3.4
119.08575	2.6
121.06488	2.8
127.03912	0.7
128.06209	2.1
128.97832	1.2
129.06992	5.9
130.07785	1.9
131.04927	1.3
131.07579	0.8
131.08566	15.2
131.48135	0.4
137.98357	1.5
140.48618	0.7
141.06978	5.9
142.07680	0.4
142.08720	0.5
143.07523	0.4
143.08504	1.9
144.05696	3.7
144.09323	4.2
145.06476	8.7
145.10127	3.3
146.07259	3.7
147.08043	1.3
149.49165	0.8
151.99445	0.4
153.06949	1.1
154.07777	3.8
155.11356	0.4
157.06488	6.7
157.10146	0.6
158.07272	28.9
159.08055	35.5
159.11681	11.9
160.08397	0.8
167.08595	0.5
169.07571	0.9
169.10104	5.2
170.10529	0.4
171.08075	1.8
172.08829	34.1
173.00821	0.9
173.09189	0.5
185.09613	0.6
187.11179	100.0
187.18820	2.4
187.22498	0.8
188.09131	0.5
188.11542	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0807
Annotation	2,4,6-Trimethoxyphenol
Peak:m/z	Relative Intensity
53.03946	0.5
63.94905	0.5
65.03935	1.3
66.75480	0.4
67.05496	1.7
68.99780	1.6
69.07069	0.5
70.84779	1.0
70.85120	0.9
75.04482	1.1
79.01843	1.4
79.05489	3.3
80.02660	0.4
81.07050	0.8
82.04188	1.5
82.40399	0.4
83.04987	1.0
85.02890	0.6
91.05453	0.7
93.03400	1.5
93.07005	0.5
95.01325	6.0
95.04963	1.6
99.04434	0.7
99.65522	0.4
107.01277	0.8
107.08587	6.0
109.02861	1.0
109.10120	0.6
110.03658	24.0
111.04440	7.9
113.05892	0.4
123.04448	2.4
123.05203	0.5
125.05984	65.5
125.09601	1.0
126.05523	0.6
126.06347	1.5
127.03922	4.3
127.17569	0.5
135.04364	0.6
139.03896	17.3
140.04613	0.7
141.05447	0.9
142.05844	1.6
153.05457	100.0
153.09041	1.6
154.06239	37.5
155.03386	3.5
155.06873	1.3
156.04135	0.8
157.10001	0.5
169.04878	1.0
170.05667	9.4
185.08081	32.3
185.13258	0.9
186.08366	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0601
Annotation	Antibiotic C 2554A-II
Peak:m/z	Relative Intensity
53.03940	2.2
55.01863	1.3
55.05509	1.9
56.05033	1.4
56.74048	0.5
56.96557	5.0
57.03427	1.8
57.07061	0.6
58.06604	0.8
59.04997	0.8
59.06113	1.3
60.04543	0.7
61.02918	1.2
61.34686	0.6
64.55117	0.6
67.05512	2.8
68.99786	5.5
69.03429	7.9
69.07049	2.0
70.06595	1.3
71.01352	2.8
71.04980	2.5
71.58456	0.8
72.04499	0.7
72.08161	0.9
72.72994	0.6
73.02913	2.3
73.06571	0.6
79.05484	1.5
81.02976	0.8
81.03419	10.2
81.07036	3.4
82.06576	1.0
83.04980	1.4
83.06126	0.6
83.08624	1.7
84.02111	1.2
84.04030	0.9
84.04496	8.9
84.08129	2.2
85.02898	6.4
85.06533	1.2
85.07629	0.6
86.09688	2.4
87.04440	0.6
87.05627	0.8
88.02216	3.4
90.94793	0.8
91.05488	1.2
91.46116	0.6
93.07037	0.8
95.01324	1.5
95.04964	2.0
95.08625	0.9
97.02899	4.4
97.06561	0.8
97.07665	0.8
98.06032	0.9
98.97583	2.3
99.04429	2.5
99.05582	0.6
101.07143	0.9
103.05477	0.6
105.07021	1.3
107.08567	0.8
109.02876	15.6
109.06507	0.7
109.10194	1.0
110.06019	0.6
111.00792	2.7
111.04426	0.9
111.05587	0.7
112.01569	14.0
112.02285	1.1
113.02400	5.0
113.06007	1.5
113.07150	0.7
114.05480	0.7
116.98628	2.3
117.06962	1.0
119.01853	1.5
123.00810	0.9
123.04452	0.6
123.08051	1.8
126.03111	3.7
126.05483	0.7
127.03911	86.9
127.08687	1.0
128.02301	1.2
128.04291	1.7
128.07086	1.6
128.98698	0.8
129.06662	0.6
129.10255	0.7
130.08624	0.8
131.04924	0.8
131.08542	2.6
134.99644	2.2
137.02316	0.8
141.01851	0.8
141.05460	23.6
141.07161	0.9
142.08620	0.9
143.03358	1.1
145.05016	0.9
145.10121	2.3
146.04077	1.0
146.06059	0.7
146.99666	1.0
147.11122	0.6
151.07472	0.8
155.03389	100.0
155.04556	5.3
156.03714	2.0
158.99615	0.8
159.08073	1.6
159.11705	1.7
161.01300	0.7
163.97693	0.8
164.05190	2.2
165.04301	1.1
166.55360	0.8
169.01329	17.6
169.04942	6.3
169.09990	1.0
170.08124	0.8
170.12880	0.8
172.08875	0.9
173.00771	3.0
175.04425	1.7
177.00702	1.3
182.03192	1.7
184.04878	1.8
187.02481	3.4
187.03920	2.2
187.06020	5.3
187.07652	2.5
187.11102	4.3
187.12634	1.1
187.14822	2.5
188.03783	1.2
188.09143	1.5
205.03780	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0726
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05008	1.4
56.91836	0.6
58.63638	0.7
60.07881	1.2
60.08160	15.5
60.95832	1.5
62.45406	0.7
69.07057	1.3
70.78220	2.6
71.07369	7.2
71.95242	1.5
79.89550	0.8
86.09702	81.4
87.10023	1.5
93.07056	0.9
95.04977	1.0
96.08173	0.7
97.06554	1.0
98.98459	12.8
101.95025	18.4
102.96851	2.3
104.10719	2.5
105.03343	1.2
106.03728	1.0
111.16689	0.7
119.01907	1.9
119.96058	10.1
120.97914	2.5
124.04752	1.7
125.00001	62.9
129.07036	1.0
137.02963	1.1
137.97108	18.1
138.98962	4.7
142.03540	1.2
142.05005	0.8
142.97661	1.3
143.01129	1.3
155.98158	12.2
156.07489	0.8
156.99985	2.3
160.98674	6.4
162.00560	1.1
166.02551	1.1
166.04892	0.8
178.99782	4.4
184.00284	2.0
184.07338	100.0
185.07639	1.4
185.13274	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	185.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95171	0.4
55.01845	0.5
55.05496	1.4
63.20745	0.4
65.03945	1.2
67.05492	2.0
68.99768	1.6
69.03425	0.9
69.07061	1.4
69.85159	1.9
69.85574	1.1
71.04990	0.9
75.04470	1.5
79.01844	1.4
79.05492	2.4
81.03372	0.7
81.07037	1.5
82.04189	1.6
83.04975	1.1
83.08621	0.6
85.02911	1.0
85.06554	0.5
91.05481	0.6
93.03416	0.7
93.07030	1.7
95.01324	5.9
95.04939	2.0
95.08604	1.3
97.02877	0.9
97.06522	2.1
97.10177	0.5
98.20779	0.4
99.04450	1.0
102.96858	1.2
107.01298	1.3
107.08578	3.5
109.02870	0.9
110.03659	23.0
111.03728	0.5
111.04453	8.8
111.08055	0.7
120.97891	1.4
121.10166	1.2
123.00822	0.6
123.04410	2.3
124.05221	0.5
125.02375	1.0
125.05985	69.4
125.09606	1.2
126.06306	1.2
127.03935	5.5
127.07524	0.6
129.07022	1.5
129.50475	0.5
135.04364	0.7
135.08005	0.9
138.03084	0.8
138.98933	0.9
139.03894	18.3
139.07497	0.5
139.11171	0.8
140.04736	0.8
141.05428	1.0
141.56474	0.5
142.05887	1.7
142.07777	0.8
143.08557	1.7
149.09616	0.9
149.54503	0.5
153.01909	1.4
153.05460	100.0
154.06250	36.6
155.03360	3.7
155.06798	1.6
156.04173	0.5
156.99986	0.7
157.04971	0.5
157.10081	1.4
167.03369	1.2
167.10712	0.5
168.11249	0.7
169.04950	1.2
170.05557	10.6
171.34485	0.5
181.02774	0.5
185.04488	1.6
185.08090	39.2
185.13194	3.6
185.15146	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0604
Annotation	4-Pyridoxate
Peak:m/z	Relative Intensity
53.03963	0.4
56.05044	0.3
56.96557	4.2
57.03443	0.7
61.02941	0.6
65.03947	1.1
66.92982	0.3
67.05510	0.4
69.03426	1.5
70.06590	0.5
71.35566	0.8
73.02920	1.2
80.05034	0.4
81.03419	0.4
82.06574	0.5
84.04498	1.6
85.02913	1.3
86.09721	0.7
92.05008	1.1
95.04994	0.5
96.04511	0.3
97.02857	1.9
98.01269	0.4
98.97581	1.6
101.00893	1.3
101.95058	0.6
109.02840	0.4
109.07664	0.5
109.52085	0.7
110.01272	0.9
110.06052	0.9
112.03973	0.4
116.98624	1.1
117.17815	0.3
117.81591	0.4
118.52646	0.6
119.01898	13.2
119.96098	0.4
120.01964	0.6
120.04479	1.3
121.52060	0.4
122.52799	0.6
123.04400	0.4
124.04759	0.7
124.99968	0.5
125.07099	0.3
125.53377	0.5
127.03945	0.7
128.02278	0.8
128.98578	0.9
130.52568	0.9
134.99658	0.6
137.02945	6.1
138.03096	0.5
138.05489	4.7
140.00174	2.5
142.03493	3.3
142.52507	0.5
143.00124	0.4
146.99625	0.8
148.03914	68.1
149.04268	0.8
151.53099	2.5
156.07497	0.4
158.01251	3.0
160.04512	1.3
160.53625	6.9
161.01071	0.4
161.02957	1.2
161.04822	0.6
166.04980	100.0
167.05269	1.5
167.08269	0.4
172.04364	0.6
179.03992	1.7
179.05470	0.4
184.04630	0.6
184.06020	16.3
184.07281	0.7
184.10869	1.0
200.02287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36864	0.2
55.87005	0.2
59.02093	0.2
70.01923	0.5
70.02339	0.9
82.99857	1.0
89.49601	0.2
98.21510	0.2
100.02478	0.4
101.00867	14.6
102.00967	0.5
118.03529	0.5
119.01909	100.0
120.01989	4.1
121.01623	0.3
124.02432	1.1
134.18005	0.2
137.02943	43.0
138.03084	1.5
142.03487	24.4
143.03615	2.3
160.04541	9.4
161.02956	9.6
161.04637	2.2
162.03102	0.3
165.05067	1.2
167.86617	0.3
174.95679	0.2
179.03995	19.4
179.05533	0.9
180.04073	0.6
184.04547	0.7
202.05643	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0651
Annotation	Methyl vanillate
Peak:m/z	Relative Intensity
51.02376	0.7
53.03937	3.4
55.01869	4.4
55.05504	1.3
57.03427	0.8
57.07074	0.8
59.04996	0.8
59.06106	1.6
60.22596	0.4
60.53959	0.4
61.06337	0.4
65.03934	3.1
66.04711	1.6
67.05497	18.9
67.93141	0.4
68.99792	2.1
69.03429	3.0
69.07062	2.0
70.06598	0.7
71.04977	1.7
77.03938	1.0
79.05485	6.9
79.17519	0.4
81.03405	1.3
81.04533	0.5
81.07043	6.8
82.04182	1.3
82.06559	0.5
83.04973	1.4
83.06077	0.5
83.08605	0.6
85.02898	1.0
85.06545	2.2
85.07679	0.6
91.05476	1.1
93.03387	0.8
93.07046	1.6
94.04187	5.8
95.04961	36.8
95.08597	3.4
96.05728	0.5
97.02886	0.9
97.06512	3.4
97.07650	0.9
98.98459	5.4
99.04447	2.1
99.05556	0.5
99.08102	0.8
105.03365	6.2
105.04498	1.1
105.07004	1.5
107.04951	3.2
107.06033	0.4
107.08549	2.1
109.06519	2.6
109.07610	0.9
109.10149	4.9
110.03656	2.8
111.04422	1.6
111.08059	0.9
112.05134	0.5
113.05959	0.7
119.01919	1.1
119.08579	1.7
121.02888	1.0
121.10146	1.7
122.03637	13.7
123.04418	100.0
123.08024	2.6
123.11720	1.4
124.04707	0.9
124.08703	1.8
125.02321	2.2
125.05972	5.4
125.07099	1.7
125.09596	1.4
127.01569	1.5
127.07508	1.1
133.02898	0.6
136.99211	0.5
137.02303	0.5
137.05962	6.7
137.06927	0.5
137.07918	1.0
137.09584	3.4
138.03069	1.6
139.03906	2.8
139.11183	0.5
140.04668	26.9
141.05423	1.8
142.03497	0.6
147.07942	0.4
147.11713	1.1
148.08711	0.4
150.03102	1.2
151.03896	1.1
153.05469	0.8
153.06944	0.4
154.06210	0.8
155.04691	0.6
155.07036	5.4
155.08405	0.9
155.10619	0.7
156.04109	1.0
160.04544	1.0
164.07060	0.6
165.01820	0.6
165.05472	1.7
165.07666	0.5
165.09065	2.1
165.12726	1.5
166.09740	0.5
167.03419	1.0
168.04172	16.2
168.09271	0.4
171.06528	1.0
183.06517	42.9
183.07861	1.8
183.10223	2.3
183.11792	1.2
183.13800	1.2
184.06810	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0651
Annotation	Methyl vanillate
Peak:m/z	Relative Intensity
51.02378	0.7
53.03933	4.2
55.01868	2.2
55.05490	0.8
56.96566	0.8
57.07071	0.9
59.06103	2.4
60.23090	0.7
65.03934	2.9
66.04709	1.7
67.05502	15.2
68.99794	2.1
69.03412	2.6
69.07076	0.7
69.60991	4.8
69.61399	1.4
70.06562	0.7
71.04990	0.8
79.05501	5.8
81.03411	1.1
81.07056	1.6
82.04166	1.1
82.06546	0.8
91.05457	1.0
94.04179	6.8
95.04958	30.9
97.06505	2.8
98.98454	4.4
105.03387	4.3
105.04482	1.2
107.05000	4.1
109.06511	1.9
109.07605	1.6
109.10125	1.4
110.03646	3.3
111.04417	1.2
119.01883	0.9
121.07594	0.9
122.03645	14.7
123.04420	100.0
125.02338	1.7
125.05979	3.6
125.07085	2.1
135.04442	1.4
137.02315	1.0
137.05957	4.9
138.03008	1.8
139.03896	2.5
140.04674	27.5
141.05374	0.8
150.03104	1.5
151.03899	1.6
153.05382	0.8
154.06258	0.7
155.07039	3.8
165.01823	0.9
165.05441	1.6
165.08676	2.3
167.03406	1.8
168.04172	19.0
171.06538	0.9
173.95210	0.7
182.46028	0.7
183.03040	1.3
183.06520	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0652
Annotation	Methyl vanillate
Peak:m/z	Relative Intensity
51.02371	0.6
53.03945	7.4
55.01863	2.8
55.05503	0.7
56.05022	0.6
56.96561	0.7
59.06120	3.7
65.03941	5.2
66.04720	3.5
67.05502	14.3
68.05041	0.8
68.99777	1.9
69.03416	1.9
69.07052	1.2
69.72759	2.2
69.73184	1.8
70.06577	1.1
71.04981	1.7
72.04519	0.7
77.03915	1.2
79.05480	5.2
81.03409	2.2
81.04526	0.7
81.07050	1.9
83.04982	1.5
83.06090	1.6
83.48937	0.5
85.02893	1.3
86.08474	0.9
91.05496	1.1
93.03387	0.7
94.04185	7.1
95.01296	1.0
95.04965	70.4
95.08612	2.3
96.05275	1.1
97.02892	2.3
97.06534	1.3
97.07629	1.9
98.06036	1.1
98.07132	0.6
98.20761	1.3
98.98470	4.3
99.04453	1.5
100.98004	0.6
105.03380	5.5
105.04513	2.3
105.07019	0.8
107.04934	2.6
109.02873	0.7
109.06506	3.3
109.07648	1.2
109.10166	0.8
110.03661	2.3
110.06114	0.6
111.04437	2.1
111.09158	0.9
112.05201	0.8
119.01936	2.7
119.08522	1.5
121.02850	1.7
121.06419	0.6
122.03646	15.1
122.07160	0.6
123.04424	100.0
123.08041	1.2
124.04710	1.5
124.08691	1.2
125.02358	3.4
125.06067	2.9
125.07113	2.4
127.01574	1.5
127.03852	0.7
127.07528	1.2
127.08633	0.6
133.02827	1.0
135.04373	1.6
137.05974	11.3
137.09615	1.8
138.03093	2.1
139.03932	2.3
140.04680	34.7
140.08202	0.8
141.05406	0.9
142.03471	1.0
147.08018	0.7
150.03082	1.3
151.03908	0.8
153.05466	1.0
155.07027	18.3
155.08279	0.6
160.04556	0.8
165.01848	1.5
165.05495	3.2
165.08961	1.9
166.09723	1.9
167.03464	1.3
168.04181	14.3
171.06599	0.8
171.55618	0.7
180.55986	0.7
182.19926	0.6
183.02994	1.9
183.06534	52.8
183.07912	1.9
183.09998	1.4
183.12378	1.3
184.07135	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0651
Annotation	Jasminanhydride
Peak:m/z	Relative Intensity
53.03746	0.4
53.03947	5.7
54.29805	0.4
55.01871	2.8
55.05501	1.3
56.05020	1.0
56.96556	0.7
57.03428	1.1
57.07069	0.6
59.06124	4.0
60.04528	2.6
60.26092	0.4
65.03933	4.0
66.04722	10.2
67.01863	1.2
67.05504	9.1
68.02643	0.7
68.05035	0.9
68.99770	0.9
69.03426	3.8
69.06718	0.8
69.07066	10.8
69.88579	2.1
69.89018	0.7
70.06576	1.7
70.17948	0.5
71.04978	1.8
72.08148	0.6
77.03925	0.8
79.05495	6.9
80.02596	0.5
81.03387	1.7
81.07055	5.0
82.04205	0.8
82.06555	0.6
83.04975	1.6
83.06085	2.2
84.04482	0.5
85.02879	1.3
85.06568	0.8
85.07660	1.0
86.02419	1.3
86.08449	0.6
87.10340	0.5
88.70126	0.5
89.56664	0.4
91.05470	2.3
93.07056	1.5
94.04185	11.2
95.04967	51.2
95.08609	4.0
96.05275	0.9
96.08112	0.8
97.02890	6.1
97.06576	2.4
97.07638	1.5
98.06094	0.6
98.97803	0.6
98.98465	6.0
99.04469	2.1
105.03391	7.0
105.04487	2.5
105.07029	1.6
107.04951	2.5
107.08609	0.6
109.02888	1.0
109.06514	12.7
109.07649	1.8
109.10137	1.6
110.03664	1.9
111.04440	1.8
111.08074	1.3
112.05147	0.5
112.08762	0.6
114.92519	0.5
118.99192	0.4
119.01920	1.7
119.04955	1.0
119.08566	2.1
121.02846	0.7
121.07619	0.5
121.10133	0.6
122.03648	27.6
122.07109	1.0
123.04431	45.3
123.08048	1.8
123.09031	0.4
123.11710	0.6
124.04785	0.5
124.08714	1.4
125.02338	3.5
125.05973	1.6
125.07102	2.5
126.03061	0.5
127.01568	2.0
127.03876	0.5
127.07509	1.1
133.02817	0.8
135.04454	2.1
137.03081	0.8
137.05977	35.5
137.09599	1.9
137.13219	0.4
138.03110	1.3
138.06415	0.6
138.09117	1.0
139.03876	1.4
139.07484	0.6
140.04681	43.1
140.08167	1.2
141.05470	1.2
142.03491	1.4
147.04376	1.2
147.08046	0.9
147.11690	0.5
148.08702	0.7
150.03160	1.8
151.03888	0.8
153.05505	0.4
155.07031	26.2
160.04576	1.6
161.02815	0.5
165.01836	1.6
165.05482	6.6
165.09085	1.8
166.09726	1.2
167.03386	1.7
168.04178	20.4
168.09436	0.6
176.38548	0.5
183.03191	2.8
183.06526	100.0
183.12302	1.7
184.03674	0.8
184.06931	1.7
184.09648	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	182.1539
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
53.29014	0.7
55.05508	5.9
56.96554	1.2
57.03429	1.0
57.07055	2.5
58.02959	25.5
67.05499	13.0
69.07063	48.4
70.06573	2.6
71.50765	1.0
71.51151	1.5
74.06049	1.1
79.05484	4.6
81.07053	12.8
83.04941	0.8
83.08595	5.1
84.08127	6.5
86.06047	1.6
91.05466	4.0
93.07033	8.7
95.04954	2.4
95.08607	4.9
97.06522	2.8
98.06049	2.0
98.09689	1.6
98.97581	3.6
99.38956	0.6
99.97912	1.8
100.07593	4.4
105.07023	11.9
107.08587	15.6
109.06523	1.5
109.10148	35.3
110.10475	1.3
112.07603	1.7
114.09153	13.7
116.98633	4.4
117.98949	1.5
119.08582	1.5
121.10133	1.7
122.09647	1.0
123.04405	1.3
123.08047	1.1
123.11704	5.4
126.09144	13.2
126.12775	1.4
133.09097	1.4
133.10118	28.1
134.99632	3.1
135.11693	16.0
135.99980	1.1
138.12769	17.1
138.13765	1.4
140.04770	0.8
140.10724	1.0
140.14337	0.9
147.11699	3.3
151.11179	10.9
152.11415	1.0
153.12735	12.5
154.15874	1.1
155.06999	0.8
164.14421	0.9
165.12714	2.5
171.58531	0.7
177.86407	0.7
182.15393	100.0
183.15688	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	182.0811
Annotation	Tyrosine
Peak:m/z	Relative Intensity
53.03938	0.6
55.01869	0.6
56.41072	0.3
56.96558	1.6
65.03938	1.2
67.05483	0.6
67.60114	0.3
69.03426	0.6
69.04527	0.4
69.07057	0.5
70.06561	0.5
71.50208	0.6
74.02435	2.1
79.05490	0.4
80.04992	0.9
81.03404	0.9
81.07049	1.2
83.06111	0.8
85.02885	0.7
91.05474	32.1
92.05846	0.5
93.07055	0.7
94.06542	0.6
95.04971	7.9
95.06066	0.5
97.02879	0.4
97.07631	0.5
98.06062	0.4
98.97581	2.7
98.98469	0.5
99.97012	0.4
103.05471	0.9
105.03394	0.7
107.04930	1.4
108.04488	0.4
108.05247	0.8
108.08089	0.6
109.06593	2.5
109.07630	0.9
111.04443	0.7
113.05916	0.7
116.98608	2.7
117.98940	1.4
118.06534	3.7
119.04936	36.0
120.05254	0.5
121.05303	0.4
121.06448	0.7
122.06079	0.4
122.07070	0.8
123.04427	17.0
123.05362	0.6
125.07133	0.6
134.23105	0.4
134.99658	3.2
135.56978	1.5
135.99959	1.0
136.07571	100.0
137.05948	0.9
137.07903	1.3
138.05554	0.5
139.03857	0.8
140.04688	1.3
140.08173	0.8
147.04390	4.8
150.05431	0.6
153.00731	0.5
153.05464	2.0
154.08606	0.6
155.06975	0.4
160.04547	0.7
163.90744	0.4
164.07021	2.3
165.05478	8.6
166.98569	0.6
167.03427	0.7
177.00639	0.7
181.05009	1.2
182.00978	0.7
182.03058	0.4
182.05786	2.4
182.08044	6.7
182.12778	0.5
183.02924	0.4
183.06471	0.8
201.37157	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0812
Annotation	Tyrosine
Peak:m/z	Relative Intensity
52.68261	0.4
53.03942	1.4
55.01866	0.9
55.05498	1.0
56.96561	4.7
57.03424	1.9
57.04620	0.6
58.06590	0.6
61.02893	1.0
67.05499	0.7
68.35734	0.5
69.03423	3.9
70.64535	0.9
70.64927	1.1
71.04987	1.1
73.02906	1.9
73.73522	0.5
77.52078	0.4
81.03411	2.5
83.05004	0.8
85.02895	4.6
87.04450	0.7
88.03947	0.6
91.05476	19.4
95.04958	9.4
97.02886	8.2
98.03147	1.8
98.97575	4.4
99.04446	1.1
99.97928	1.4
101.00878	0.9
101.03431	0.5
102.02402	0.6
103.05470	0.8
107.04975	1.2
108.08126	0.9
109.02849	1.0
110.04008	0.6
111.02929	1.1
111.58149	0.5
116.98615	4.5
117.98961	1.7
118.03530	0.6
118.06543	1.0
119.01927	4.6
119.04940	28.0
120.49892	0.5
121.01687	0.6
123.04426	41.4
127.03901	1.0
129.02229	1.3
129.03917	0.7
131.00200	0.7
131.01898	0.7
131.03606	0.7
133.03410	3.3
134.99677	2.5
136.00040	1.1
136.07571	100.0
137.05914	0.5
137.07878	1.7
138.71719	0.5
140.04066	0.8
142.03500	1.4
143.01762	0.7
145.04977	1.2
146.05078	0.7
147.03250	2.5
147.04300	11.1
149.01271	0.6
158.01285	0.7
158.99641	0.6
159.03285	1.8
159.05017	2.1
160.04587	1.4
161.02994	0.9
161.04498	1.2
161.05562	2.0
161.55649	0.7
162.05380	0.7
164.05664	2.8
164.07089	1.8
165.05466	24.3
170.04977	7.7
170.56229	1.5
171.06010	0.6
177.00734	1.0
177.04362	4.3
177.06125	2.8
181.55920	0.6
182.04611	0.5
182.06683	1.3
182.08107	15.3
195.05403	2.0
195.07135	2.0
201.00629	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0812
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
52.39503	0.6
53.03931	2.7
55.01854	2.4
55.05498	0.7
56.96561	5.8
57.03430	5.8
58.99854	0.7
59.04998	1.0
60.86063	0.6
61.02913	3.1
65.03932	0.8
67.05482	2.8
69.03428	9.5
70.06583	0.7
71.05013	3.0
71.05328	0.6
71.23112	0.8
73.02909	6.3
79.05458	0.7
79.82558	0.7
80.04997	0.8
81.03413	5.5
81.07035	0.7
83.01313	1.0
83.04972	2.3
84.41179	0.6
85.02891	8.3
87.04420	0.7
88.03987	1.4
91.05476	24.0
92.05771	0.8
93.07044	0.9
94.06511	0.8
95.04967	20.1
96.04480	0.8
97.02274	1.1
97.02882	14.8
97.03880	0.6
98.03945	0.7
98.06013	1.1
98.97582	3.8
98.98461	2.2
99.04449	2.2
99.97920	0.9
100.02542	0.8
101.00871	2.1
101.28986	0.6
102.02386	1.2
103.02430	1.1
103.03121	0.9
103.05410	0.9
105.03372	1.6
107.04967	1.3
108.02473	0.9
108.04503	3.4
108.08107	0.8
109.02855	2.9
109.06515	1.5
110.01302	0.7
110.03967	1.0
110.51602	0.7
111.02133	1.0
111.02934	3.0
113.02457	0.6
115.02418	1.6
116.03934	1.3
116.98622	4.6
117.98972	1.3
118.03559	1.7
118.06512	1.7
119.01903	11.3
119.04937	34.9
121.01591	0.7
121.03467	0.8
121.06483	1.9
122.06037	1.9
123.04420	53.3
123.08083	0.9
124.04758	0.7
124.07587	0.8
125.04469	0.7
127.03938	1.9
128.02274	1.7
128.98581	0.8
129.03981	1.4
131.01884	5.4
132.03430	2.6
133.03462	5.3
134.03574	0.7
134.99670	4.7
135.04990	0.8
135.56982	0.8
136.00029	1.7
136.07568	100.0
137.02881	2.1
137.05969	1.6
137.07954	1.6
138.03426	0.9
138.05408	1.1
139.04088	1.0
140.04662	2.4
142.03474	1.8
143.01904	2.9
145.03432	2.9
146.99673	1.1
147.01329	0.8
147.04239	13.8
149.02948	1.3
149.04698	0.7
151.04503	1.4
152.04977	2.2
152.07033	0.9
153.00665	1.2
154.01022	0.8
154.03531	1.7
154.04987	3.1
154.08566	1.0
155.01825	1.2
155.07031	2.1
155.08522	0.7
157.03502	1.7
159.01408	0.8
159.05052	4.5
160.04559	1.4
161.01582	1.0
161.02924	5.3
161.05553	8.5
161.55669	1.3
162.05498	1.2
163.04486	1.2
164.03244	3.3
164.07085	2.0
165.05435	33.8
166.05885	1.1
167.02087	0.7
168.04146	0.8
170.06096	8.6
170.56174	2.0
171.03967	1.2
173.01552	0.9
173.02971	4.2
175.04529	1.6
176.98457	0.8
177.00726	1.8
177.02364	1.3
177.06097	5.6
178.06091	1.0
181.56837	2.2
182.00967	1.4
182.02959	1.1
182.04378	5.7
182.06664	0.9
182.08109	10.0
183.02905	1.0
183.05090	1.1
183.06528	2.8
183.07910	0.8
185.03033	3.0
191.04164	0.8
195.07106	4.0
196.07291	1.0
200.04050	0.9
203.04016	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
55.01865	4.8
55.05511	6.3
56.92214	1.3
56.96563	12.2
57.03447	1.6
57.07061	3.2
59.05001	3.4
61.65585	1.3
65.03946	2.3
67.05502	8.5
69.03075	2.2
69.03425	26.2
69.07066	11.6
70.40113	4.1
71.04990	3.5
73.60983	1.2
79.05490	19.5
81.03436	1.4
81.07059	12.3
83.04982	10.4
83.08617	2.8
91.04955	2.4
91.05477	22.0
93.07045	31.7
95.04959	11.2
95.08611	5.1
97.02902	2.5
97.06521	17.8
98.96927	3.2
98.97581	65.5
103.05466	7.5
105.07027	17.2
107.04953	12.4
107.08591	33.5
109.06510	3.2
109.07655	1.8
109.10153	9.5
111.04440	2.4
111.08045	3.4
116.98617	90.7
117.07014	10.2
119.04917	3.5
119.08596	10.9
121.06507	20.6
121.10143	62.7
122.07236	7.7
123.05598	1.9
123.08065	7.1
125.05989	6.5
129.06992	2.2
130.07799	7.1
131.04915	2.7
134.99655	100.0
135.04430	3.7
135.08073	8.2
135.11682	26.7
136.05220	1.5
136.07579	1.7
136.08627	1.8
137.05963	12.6
137.09607	23.0
137.10591	2.1
138.06653	1.7
139.07527	3.0
139.11174	3.0
140.00177	5.0
140.08200	4.3
143.08582	1.6
145.10121	57.8
148.08861	1.4
149.02338	1.9
149.05981	12.1
151.07532	4.9
153.00706	23.3
153.05533	1.7
153.09103	1.6
158.01262	13.0
163.03841	7.3
163.07529	3.4
163.11176	74.1
164.08322	6.0
164.11571	2.0
166.06226	2.4
170.19501	1.4
176.02299	3.5
181.01266	2.5
181.04982	8.3
181.08643	13.2
181.10805	2.8
181.12231	20.0
181.15828	1.4
189.44087	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
50.14366	1.1
52.58752	1.0
55.01864	1.9
55.05501	1.9
55.32460	1.2
56.96568	2.4
57.06786	1.6
57.07071	32.3
59.04974	2.1
69.03416	1.8
69.07048	4.4
69.58817	1.7
69.59220	8.6
79.05490	8.3
81.03413	7.4
81.07071	6.6
83.04980	63.0
84.05317	1.2
91.05460	2.2
93.07038	6.9
94.83475	1.2
95.04967	19.6
95.08600	1.4
97.06532	32.0
98.97580	17.1
105.07038	3.5
107.04925	2.3
107.08576	8.3
109.06485	1.3
116.98616	21.1
119.08568	3.1
121.06528	2.2
121.10148	10.5
125.05986	95.4
126.06298	1.2
134.99652	28.5
135.11685	5.7
140.00200	3.5
145.10101	11.4
153.00682	4.8
158.01250	8.3
163.03804	1.3
163.11172	100.0
164.11546	2.8
174.82474	1.2
176.02260	1.8
181.04997	1.3
181.12228	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	181.1222
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
52.91333	1.1
54.03455	1.2
55.05501	1.6
56.05014	2.8
56.05489	1.2
56.96549	5.1
57.04545	2.2
57.07067	27.2
59.04992	1.5
65.55527	1.2
67.05489	2.2
68.63841	1.2
69.07047	3.0
70.06579	1.4
71.06100	2.0
71.38068	2.4
71.95232	2.1
76.75066	1.2
79.05479	7.2
81.00140	1.2
81.03392	5.0
81.07041	5.0
83.04974	47.1
83.06084	1.7
86.04949	1.2
91.05468	1.6
93.07017	5.8
95.04963	13.5
95.06059	2.0
95.08585	1.5
97.06524	22.9
97.07642	1.8
98.07178	1.5
98.97573	19.8
99.05558	15.2
105.07005	3.8
107.04926	2.3
107.08599	7.2
110.07134	2.6
111.07962	1.4
111.09227	1.2
116.98606	33.1
119.08540	1.8
121.06474	2.4
121.10123	11.7
122.07166	1.4
123.09128	1.4
125.05984	89.8
130.07787	1.8
132.95979	1.3
134.99649	54.1
135.11668	5.6
140.00153	3.8
145.10135	9.9
153.00688	15.7
158.01245	19.2
163.11166	100.0
164.11551	3.1
176.02296	4.2
181.02846	2.3
181.10825	3.1
181.12213	39.1
181.14063	1.8
181.14549	2.3
184.35463	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0857
Annotation	Pestalopyrone
Peak:m/z	Relative Intensity
51.01166	0.5
53.03952	0.6
55.01869	6.0
55.05503	1.2
56.96558	8.0
57.03428	1.0
57.07070	0.8
59.06116	1.1
65.03932	1.4
67.05502	2.2
68.05012	0.6
69.03429	3.6
69.07065	2.3
69.70654	3.1
71.04986	1.0
71.95269	1.1
74.90296	0.4
77.03909	0.4
78.04716	1.1
79.05480	5.5
81.03406	1.6
81.04543	0.4
81.07054	3.6
83.04964	1.8
83.06081	1.0
89.03896	0.6
90.04709	0.6
91.05464	6.8
92.06255	0.7
93.03394	0.8
93.07037	7.3
95.04958	5.9
95.06049	0.5
95.08601	4.5
97.02883	1.6
97.06517	2.7
97.07630	0.8
97.10159	0.6
98.97573	33.7
99.04448	0.5
99.05544	0.8
103.05437	0.7
105.03383	0.8
105.04516	0.5
105.07016	1.4
106.04163	0.8
107.04925	3.4
107.08601	4.6
108.05718	1.1
109.06510	2.3
109.07616	0.5
109.10175	0.6
110.07196	0.4
111.04424	1.3
111.08079	1.4
116.98608	47.1
117.06991	0.7
117.98874	0.5
118.04167	0.6
119.04959	1.0
119.08565	1.2
120.05704	1.2
121.06503	3.7
121.10133	10.8
122.03570	0.6
122.06049	0.4
122.07139	1.5
123.04416	3.6
123.05462	0.6
123.08062	5.4
124.08717	0.6
125.02340	0.6
125.05974	1.8
125.06845	0.4
129.33702	0.4
134.01256	0.4
134.99644	68.9
135.04390	2.1
135.08067	2.6
135.11653	2.7
136.05165	1.8
136.07597	0.5
136.08740	0.6
137.05969	10.6
137.09602	0.9
138.06741	5.2
139.07509	1.0
139.10016	0.7
139.11169	9.9
140.00189	2.6
140.08215	0.9
145.10127	2.1
148.05174	32.5
149.02322	1.0
149.06017	2.0
150.03177	0.4
151.03874	3.8
153.00694	18.1
153.05473	0.9
153.09088	0.8
158.01239	9.4
163.03868	1.6
163.07562	0.9
163.09810	0.7
163.11133	4.3
163.14713	0.5
164.06978	0.7
164.08205	0.7
165.05460	1.4
166.06255	1.4
167.03374	0.5
176.02348	1.9
176.03697	0.4
181.01312	1.0
181.05238	4.5
181.08578	100.0
182.08888	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	0.7
69.31955	1.1
69.32379	0.6
79.05499	0.2
85.02892	0.4
91.05467	1.0
93.07037	2.0
95.04988	0.3
97.02890	0.2
98.20737	0.4
98.97576	3.1
103.05461	6.0
107.04963	0.3
108.04464	0.3
116.98624	3.6
120.08099	100.0
121.06500	5.0
121.08415	2.1
131.04929	1.3
134.06007	0.3
134.99648	3.0
135.04437	0.2
135.08099	0.3
137.06018	0.2
152.07036	0.3
153.00723	0.6
153.05507	0.2
158.01268	0.2
163.03944	0.3
163.07545	1.3
180.03702	0.7
180.06616	0.5
180.10162	3.2
181.04970	0.3
181.10693	0.4
181.12154	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01873	14.0
55.05515	1.2
56.39318	0.8
56.96557	3.3
57.03435	12.3
57.07082	1.0
58.75231	0.8
59.05000	1.1
60.04520	2.1
60.95843	1.3
61.02927	7.3
62.80555	1.0
67.05507	1.4
69.03429	40.3
69.84486	0.7
70.06580	2.4
70.34263	4.1
71.01348	1.0
71.04992	4.4
72.04507	3.8
73.02914	8.3
75.57877	0.8
79.05499	2.7
80.05009	3.1
81.03414	4.8
81.07066	1.4
83.01338	1.2
83.04974	2.3
84.04500	1.7
84.58864	0.8
85.02904	100.0
87.04448	1.7
88.03991	3.1
91.03947	0.9
91.05476	2.8
92.05808	0.9
93.07055	1.6
94.06583	1.5
95.04973	1.8
95.08578	1.2
96.04509	1.9
97.02892	24.4
97.03515	1.4
97.06513	1.1
98.20838	1.1
98.97587	3.6
99.04448	7.7
100.02459	1.1
101.02395	6.6
103.03933	1.7
106.06551	2.6
106.07326	1.2
107.04973	1.1
107.08607	1.6
108.04469	11.2
109.02866	4.2
111.04393	1.4
112.07605	1.1
113.02383	1.3
115.03915	3.7
116.98624	6.1
117.54550	1.1
118.03546	1.3
119.01895	3.0
120.05282	2.1
120.08107	2.6
120.42847	0.8
121.02821	1.0
121.06448	1.4
122.06042	0.8
125.06026	1.1
127.03918	71.0
133.03473	2.0
134.02982	1.6
134.05975	4.8
134.99658	10.0
135.04422	1.7
135.52672	0.9
137.06082	0.9
144.06496	1.4
145.04958	32.1
148.04784	4.8
152.04506	2.6
152.07036	9.2
153.00719	3.7
156.97498	3.0
157.03467	2.0
161.02977	1.0
162.05359	1.9
162.06517	1.2
162.07655	2.1
162.09061	1.9
163.03873	2.3
163.06081	3.2
165.09174	1.1
173.02840	0.8
174.98529	4.7
175.04529	1.4
179.99120	2.3
180.04039	5.2
180.06323	6.7
180.08711	2.1
180.10162	1.8
181.02600	4.2
181.04967	2.5
181.06413	1.0
181.08575	1.0
181.12216	1.8
198.00162	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0702
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
52.77379	0.6
53.03928	1.4
55.01869	8.4
55.05492	2.3
56.96544	2.6
57.03440	1.4
57.07065	0.9
65.03936	3.9
67.05499	10.9
68.05013	0.8
68.99780	2.6
69.03423	2.3
69.04541	1.0
69.07056	2.1
70.83978	1.3
71.04967	1.3
74.20541	0.5
75.23411	0.5
79.05492	10.0
81.03416	1.6
81.07053	7.8
83.04964	2.1
83.06098	0.7
85.02904	1.0
85.06553	0.7
91.05479	24.2
92.05803	0.6
93.03402	0.8
93.07040	7.9
95.04965	20.6
95.06059	1.7
95.08599	11.7
97.02898	0.9
97.04009	0.6
97.06486	1.1
97.99195	0.8
103.05469	4.2
105.03385	1.3
105.04480	0.8
105.07028	22.1
107.04928	2.9
107.08583	4.7
108.04465	0.9
108.05701	2.5
109.02873	2.8
109.06518	5.3
109.10154	4.6
110.03648	4.4
110.07172	0.8
111.04488	2.9
114.67049	0.6
115.05453	1.6
116.00200	0.7
117.07050	0.7
118.04137	2.0
119.04936	24.3
119.08573	6.5
120.05543	0.9
121.02862	3.9
121.03996	0.9
121.06502	3.4
121.10128	7.3
123.04424	100.0
123.08053	13.5
123.11646	1.0
124.04756	1.8
124.08817	0.7
127.03802	0.7
128.06165	0.7
131.04916	1.1
131.08551	0.6
133.02835	1.8
133.06483	8.3
133.10130	10.6
134.39865	0.6
135.04395	2.0
135.08124	0.5
135.11710	2.8
136.05173	5.6
136.08699	1.0
137.05962	5.5
137.08218	4.7
137.09676	3.3
137.13255	1.2
138.05589	0.7
138.06644	1.6
143.08574	0.9
146.03587	1.8
147.04405	30.3
149.05945	1.1
150.06749	0.7
151.03922	9.0
151.07536	45.4
151.11096	3.0
152.07986	1.8
161.05977	10.2
161.07124	2.7
161.08353	0.9
161.09502	3.7
161.13252	7.2
162.05492	1.0
163.93692	0.6
164.04712	1.3
169.05006	0.7
179.03432	17.4
179.07040	82.2
179.10538	10.1
179.14296	12.1
180.07465	1.9
185.39148	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0338
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02370	0.4
53.03936	0.6
55.01871	2.0
55.05507	0.6
56.05027	0.4
56.96548	0.5
57.03430	0.4
57.07056	0.3
63.38111	0.3
65.03954	0.4
66.61061	0.3
67.05508	2.5
68.05009	0.9
68.99781	0.3
69.03397	0.4
69.04555	0.6
71.58284	0.5
73.06499	0.3
75.69301	0.3
77.03945	0.8
79.05492	1.8
79.64223	0.3
81.03400	0.6
81.04523	0.7
81.07059	1.5
83.04971	1.0
83.06106	0.8
85.02925	0.5
89.03928	1.8
91.05476	4.2
93.07021	1.9
95.04974	4.2
95.06055	1.5
95.08592	1.0
97.02866	0.5
97.07623	0.4
103.05476	0.4
104.85071	0.3
105.03398	3.2
105.07030	4.2
107.04962	0.7
107.08576	1.3
108.04472	0.5
108.05626	0.4
108.70755	0.3
109.02897	0.7
109.06504	4.4
109.10155	0.7
110.07131	0.8
115.05419	0.7
117.03362	0.8
119.04941	5.2
119.08592	1.7
120.05572	0.6
120.08114	2.0
121.06492	1.3
121.10165	1.5
122.07162	0.3
123.04424	38.1
123.08077	0.9
123.11661	0.3
124.04728	0.5
128.06259	0.5
128.94890	0.3
130.91573	0.3
133.02853	21.9
133.06497	2.1
133.10110	3.5
134.06013	0.6
134.07065	0.6
135.04414	3.9
135.08011	0.6
136.05182	0.7
136.08699	0.7
137.05978	1.0
137.08238	3.2
137.09552	1.7
138.06616	0.5
143.08623	0.4
146.03638	0.8
146.07237	0.5
147.04408	8.7
151.02725	0.6
151.03903	10.6
151.07530	0.8
151.11153	1.1
152.08156	0.9
161.05980	3.5
161.08238	0.6
161.09610	2.3
161.13171	0.4
162.06589	0.3
162.10217	0.4
177.86971	0.3
179.03387	100.0
179.09230	1.3
179.10672	5.8
179.14224	1.9
180.03740	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.2
55.01864	1.2
56.05022	0.5
56.96554	0.2
57.03408	0.3
59.06094	0.2
65.03927	0.4
67.01847	0.8
67.05487	0.7
68.05011	0.5
68.99783	2.7
69.03413	0.4
69.04533	0.3
69.07078	0.3
69.54295	0.7
69.54726	0.7
69.71175	0.1
70.06567	0.2
71.01330	0.2
73.02898	0.3
73.78341	0.2
77.03900	0.2
79.05471	0.6
80.04982	0.2
81.03399	0.5
81.04535	0.5
81.07037	0.8
83.06097	0.5
84.04517	0.2
85.02881	0.3
89.04753	0.2
91.01817	0.3
91.05473	2.5
92.05769	0.2
93.04536	0.2
93.07028	0.6
94.06548	0.2
95.01315	0.2
95.04958	1.5
95.06080	1.3
95.08588	0.5
96.05628	0.2
97.02882	0.4
97.03998	0.2
97.07654	0.4
98.07174	0.2
98.12857	0.2
98.20741	0.3
98.98457	0.2
103.05441	0.8
105.03384	0.8
105.07027	1.8
105.31094	0.2
107.04958	0.3
107.06030	0.2
107.08574	0.4
108.05614	0.2
109.02895	0.4
109.06505	0.4
109.07623	0.3
109.10158	0.3
110.07160	0.5
111.04428	1.9
111.05573	0.3
115.05442	0.3
118.04137	0.3
119.04938	3.0
119.08582	0.8
120.05573	0.6
120.08102	10.4
121.06464	0.9
121.10123	0.4
122.07187	0.3
123.04424	3.4
123.05383	0.2
123.08054	0.3
127.03918	0.4
131.04883	0.3
131.08485	0.2
133.02831	1.6
133.06471	1.3
133.10118	1.3
134.07133	0.5
135.04376	0.2
136.05217	0.4
136.08755	0.4
137.02327	1.0
137.06018	0.8
137.08221	2.8
137.09270	0.3
137.09644	0.3
138.06569	0.4
138.10255	0.2
139.07455	0.2
143.04916	0.3
146.03662	0.5
147.04411	4.4
151.03889	1.8
151.07544	0.6
151.11165	0.2
152.08176	0.6
155.03378	1.5
157.60872	0.2
161.02307	0.8
161.05969	2.2
161.08287	0.3
161.09633	0.7
161.13243	0.5
162.06676	0.3
168.06343	0.4
179.03383	100.0
179.06677	2.6
179.09247	1.6
179.10681	2.0
179.12894	0.4
179.14314	0.6
180.03748	1.9
180.10132	0.4
191.07584	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0337
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02372	0.4
53.03938	0.5
55.01868	2.4
56.05017	0.6
56.96555	0.6
57.03436	0.3
57.04520	0.3
57.07063	0.8
57.23492	0.3
59.05002	0.4
65.03910	0.3
67.05498	1.4
67.72475	0.3
68.05010	0.7
68.99778	0.3
69.03413	0.6
69.04550	0.4
70.06575	0.5
71.16628	0.5
71.16958	0.4
77.03928	0.8
79.05485	1.3
81.03395	0.3
81.04513	0.7
81.07032	0.6
83.06081	1.0
85.02904	0.8
89.03918	1.8
91.05480	3.8
93.04494	0.4
93.07030	1.2
95.04964	2.5
95.06078	1.5
95.08594	0.7
96.05616	0.4
97.02863	0.5
97.06555	0.3
97.07637	0.5
98.20610	0.3
98.97585	1.5
103.05441	0.9
105.03394	2.8
105.07019	2.7
106.06555	0.3
107.04934	1.4
107.08628	0.3
108.05632	0.3
109.06464	0.5
109.10160	0.4
110.07168	0.9
111.09184	0.3
115.05442	0.5
116.98607	1.9
117.03386	0.8
117.06928	0.3
118.04140	0.4
118.39073	0.2
119.04943	3.7
119.05795	0.4
119.08552	0.6
120.05584	0.7
121.06490	2.8
121.10126	0.5
122.07063	0.4
123.04418	32.6
124.08707	0.4
133.02841	22.5
133.06477	2.1
133.10112	1.6
134.03072	0.3
134.05984	0.3
134.07083	0.7
134.99597	0.5
135.04411	3.2
136.05128	0.4
136.08653	0.4
137.05975	0.9
137.08203	3.1
137.09299	0.3
137.09584	0.2
138.06615	0.5
138.10226	0.3
139.07468	0.3
146.03618	0.4
147.04398	6.3
151.03888	9.7
151.07486	0.7
151.11156	0.3
152.08179	0.7
158.99620	0.6
161.05948	3.4
161.08192	0.5
161.09598	1.2
161.13205	0.3
162.06732	0.5
162.10324	0.4
163.07430	0.3
174.00781	0.4
177.00641	1.7
179.03378	100.0
179.06837	4.4
179.09361	2.3
179.10655	1.8
179.12933	0.6
179.14301	0.5
180.03709	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.01859	3.1
56.05020	0.9
67.05504	2.3
68.05014	1.4
69.03388	1.1
69.65201	5.5
70.06563	1.5
72.04529	1.0
75.05629	1.0
78.04694	1.2
79.05080	1.2
79.05485	7.2
81.03410	1.4
81.04519	1.3
81.07061	1.9
83.04972	0.9
83.06079	1.5
88.02215	2.8
89.03912	2.2
91.05485	6.3
93.07033	2.0
95.04961	4.9
95.06097	1.7
97.06450	1.0
98.07175	1.2
98.20795	1.2
98.21348	2.3
104.06284	1.9
105.03396	1.3
105.07008	3.6
106.04205	1.3
107.04939	4.2
107.08591	1.0
108.08904	0.9
109.06501	2.8
110.07137	1.9
115.05489	1.1
117.03370	5.4
118.04174	28.9
118.06541	1.5
119.04936	8.6
119.08570	1.4
119.54363	0.8
121.06483	1.9
123.04418	5.8
131.04938	5.2
132.04462	1.1
132.04648	1.3
132.05730	16.3
132.08075	3.8
133.06551	1.9
133.07411	1.3
133.10104	1.6
134.07014	1.0
135.04419	7.0
137.06024	1.1
137.08247	5.6
146.03624	100.0
147.04427	17.2
149.05914	1.7
150.05382	1.3
150.06433	1.3
151.03911	15.7
151.05000	1.7
151.07588	1.5
151.09770	2.0
160.05191	5.1
160.07562	5.2
161.06007	4.4
161.09602	1.7
163.03897	24.1
163.06108	2.0
164.04211	1.2
178.05054	2.9
178.06238	57.3
178.08371	7.2
178.10872	4.9
179.03365	12.9
179.07027	8.0
179.10677	2.4
198.71318	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1637
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
50.68635	0.8
53.00288	0.7
53.03948	2.0
55.05508	7.9
57.07071	1.0
57.45774	0.7
60.81305	0.7
65.03938	0.7
67.05502	5.8
69.07062	27.4
69.29635	2.5
69.30056	5.6
71.08652	0.8
75.40720	0.7
79.05485	18.3
81.07051	100.0
82.07355	1.1
83.08608	8.2
85.02919	1.0
89.03915	3.0
91.05470	7.1
93.07039	28.9
93.67193	0.6
95.01306	1.5
95.04963	1.6
95.08601	34.6
95.20957	0.7
97.10160	6.6
98.98454	5.0
101.96903	0.7
103.05487	1.5
105.07038	5.9
107.08586	73.0
108.08919	1.5
109.06496	1.8
109.10156	12.8
117.03365	5.3
119.08556	2.5
121.02831	1.2
121.06516	1.5
121.10134	61.6
125.94257	0.8
131.08565	1.9
133.10123	2.1
134.03607	1.0
135.11700	9.8
145.02823	7.7
146.51955	0.9
149.02347	7.5
149.05956	3.2
149.13261	4.3
159.08015	0.9
177.05429	7.2
177.07507	1.8
177.08870	3.6
177.12798	3.5
177.16377	78.8
178.04819	1.0
178.08629	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	177.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.4
54.68684	0.6
55.05511	3.0
57.07061	1.4
61.44071	0.6
63.02374	1.1
63.92023	0.8
65.03921	1.0
67.05506	4.9
69.07063	5.7
69.51688	4.5
69.52100	1.3
71.04971	0.6
73.56737	0.6
78.04705	3.5
79.05476	8.9
81.07046	17.2
83.08607	3.6
89.03909	38.1
90.04192	1.1
91.05470	10.5
93.07030	20.5
95.04945	3.3
95.08597	18.5
95.09081	0.4
97.06518	0.9
97.10144	2.1
98.98453	3.0
103.05453	2.9
105.07030	3.5
106.04158	7.1
107.04957	0.9
107.08581	22.6
109.10150	4.4
117.03364	71.0
117.06993	1.7
118.03702	1.3
119.04900	0.9
119.08556	4.9
121.02872	1.0
121.06494	4.4
121.10124	28.3
124.05191	1.6
126.56991	0.8
128.73743	0.6
131.04916	1.8
131.08537	2.9
133.10101	2.1
134.03613	10.6
135.04417	8.5
135.08035	0.9
135.11661	7.6
144.09319	1.3
145.02827	100.0
146.03142	3.0
146.07141	0.7
147.04349	1.0
149.02342	3.7
149.05966	26.8
149.09625	0.7
149.13246	4.3
157.10168	0.7
158.05984	2.6
159.08008	0.8
159.11722	3.7
162.03047	3.5
163.03860	2.8
177.05453	45.2
177.08919	3.3
177.12801	8.9
177.16373	25.6
178.05902	0.8
186.05554	5.3
192.56773	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1272
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03927	3.1
55.01857	2.6
55.05506	14.3
56.96552	1.2
57.03426	2.7
57.07053	2.5
63.02357	1.3
65.03925	2.6
65.64995	0.8
67.05502	14.4
69.03412	3.9
69.07062	24.0
71.04987	5.1
71.19785	1.7
77.03902	1.0
78.04694	3.4
79.05483	30.6
80.72877	1.1
81.06574	1.9
81.07050	34.4
83.04955	2.0
83.08620	7.4
85.06550	1.1
85.99453	0.9
88.02177	1.9
89.03908	41.9
90.04251	1.3
91.05476	32.2
92.05804	1.0
93.03399	1.0
93.07035	58.9
95.01334	1.2
95.04966	10.6
95.08598	36.1
97.06499	1.6
97.10176	1.1
98.98456	11.7
103.05453	5.9
105.04491	1.2
105.06302	1.3
105.07013	19.3
106.04170	17.0
107.04982	6.0
107.08585	45.3
109.06488	6.2
109.10143	6.8
115.05432	2.6
117.03371	67.9
117.07011	16.2
118.03690	2.1
119.04928	2.2
119.06021	1.4
119.08566	15.3
121.02868	2.3
121.06489	18.3
121.10130	42.2
122.07283	1.9
124.05179	1.6
129.06993	3.6
130.07780	2.9
131.04898	3.8
131.08562	21.4
131.53334	1.0
132.05582	0.8
133.10114	7.4
134.03619	9.7
135.04428	10.4
135.08057	6.3
135.11673	14.5
144.09343	4.8
145.02831	100.0
146.03325	3.6
147.04407	1.2
149.02321	11.8
149.05977	37.0
149.09592	3.6
149.13246	9.3
158.06007	2.2
159.07999	2.8
159.11682	25.8
162.03093	5.9
162.05188	1.0
163.03951	5.7
163.06306	1.3
177.05455	59.9
177.07082	2.2
177.07632	2.2
177.08995	9.6
177.11206	1.9
177.12741	29.9
177.16371	29.8
177.17630	0.6
178.06007	3.1
178.08640	3.4
178.16808	1.2
186.05486	8.8
187.05766	1.2
198.72086	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03920	1.2
55.01847	0.9
55.05501	3.9
56.96551	0.9
63.02367	1.0
65.03944	1.1
67.05500	3.1
69.07061	5.1
70.80650	1.7
78.04710	4.3
79.05486	6.9
81.07048	9.2
81.34460	0.5
83.08601	3.0
89.03906	38.3
91.05464	10.8
92.05766	0.6
93.06467	0.9
93.07033	12.3
95.04960	3.4
95.08595	11.8
96.51780	0.6
97.10139	1.3
98.98461	3.6
103.05445	3.7
105.03374	0.6
105.04566	0.6
105.07051	2.9
106.04163	10.6
107.04980	1.1
107.08578	17.0
109.10154	3.6
110.17104	0.5
117.03365	69.9
117.07005	1.4
118.03716	1.9
119.04939	0.9
119.08554	2.0
121.02834	0.8
121.06493	5.6
121.10129	22.0
124.05190	1.7
131.01851	0.6
131.04890	1.7
131.08542	2.0
133.10133	1.0
134.03622	9.8
135.04398	7.3
135.08057	0.9
135.11670	5.7
145.02827	100.0
146.03131	2.5
149.02301	4.5
149.05960	31.5
149.09543	0.9
149.13243	2.6
150.06339	0.8
158.06004	2.2
159.07965	0.6
159.11670	2.0
162.03102	2.1
163.03917	3.7
177.05449	46.6
177.09102	3.6
177.12724	5.5
177.14790	1.0
177.16365	18.7
178.05850	1.1
178.08629	1.2
186.05473	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	177.0543
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.71407	0.8
53.03927	1.5
55.01873	1.3
57.03429	1.5
59.04987	0.9
59.06106	0.9
62.45182	0.7
63.02380	1.2
65.03941	1.6
67.05492	1.8
67.72128	0.7
68.05032	0.7
68.99786	3.6
69.03428	1.7
69.07081	1.4
73.53941	0.7
75.14033	0.7
77.03902	1.1
78.04712	2.4
79.05492	3.0
81.03419	1.1
81.07047	3.5
83.08643	0.9
85.02893	1.9
87.05574	1.8
88.02291	0.8
89.03913	36.0
90.04252	1.0
91.05478	9.2
93.07055	6.3
95.01333	4.8
95.04938	3.7
95.06071	1.2
95.08591	2.5
97.02916	0.7
98.97580	0.8
98.97890	0.9
98.98463	5.8
103.05443	5.9
105.07005	2.6
106.04166	4.3
107.04945	4.2
107.08589	5.2
109.06537	1.2
109.07613	1.0
109.10175	0.8
113.02301	1.1
113.70437	0.7
116.98617	1.5
117.03372	58.2
117.07067	0.8
119.04933	1.1
119.08578	1.6
121.02853	1.8
121.03945	0.8
121.06488	8.0
121.09359	1.1
121.10112	5.2
124.05183	1.3
124.22317	0.8
131.04924	3.4
131.08549	3.9
133.10100	1.5
134.03624	9.3
134.99689	1.2
135.04420	9.9
135.07996	2.3
135.11674	2.4
136.08667	1.3
137.09427	1.2
145.02835	100.0
146.03212	3.1
149.02348	7.3
149.05972	32.2
149.09663	1.1
149.13260	1.0
158.06001	0.9
159.04509	1.3
159.08040	2.1
159.11678	2.7
162.03127	3.2
163.03909	3.7
177.05461	77.7
177.08870	6.7
177.11320	2.7
177.12575	5.9
177.16367	3.3
178.05923	1.8
178.08589	0.8
178.10954	1.0
186.05486	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	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02367	1.3
53.03931	3.2
55.01862	1.8
55.05499	2.0
56.55804	0.8
63.02346	1.1
65.03934	2.7
67.05495	2.1
68.99780	3.6
69.03420	1.1
69.07043	4.0
70.39005	2.8
71.01353	4.3
74.31822	0.9
78.04722	7.2
78.05123	1.4
79.05483	6.9
81.03412	1.3
81.07055	9.2
83.08609	2.1
89.03912	31.2
91.05477	23.8
92.05823	0.9
93.03391	3.0
93.07037	14.9
93.75524	0.9
95.01328	0.9
95.04956	7.0
95.08602	8.7
98.98449	4.5
102.04644	1.3
103.05460	100.0
104.05776	1.6
105.03384	4.8
105.04500	2.2
105.07005	3.0
106.04166	50.6
107.05000	1.9
107.08582	12.0
109.06523	0.9
109.10124	3.5
117.03370	43.0
117.07011	2.8
118.03691	1.2
119.04943	4.3
119.08588	2.4
121.02819	1.0
121.06500	24.5
121.10143	13.1
124.05152	1.3
129.06924	0.9
131.04919	33.6
131.08516	6.1
132.05290	0.8
133.10135	2.3
134.03632	11.0
135.04402	10.5
135.08046	1.9
135.11707	5.4
145.02834	42.3
146.03714	1.6
147.04349	1.1
149.02328	4.7
149.05968	66.4
149.09612	1.9
149.13264	2.2
150.06337	2.2
159.04408	3.3
159.08093	1.5
159.11668	3.5
160.05022	0.8
162.03123	3.4
163.03838	2.4
177.05460	95.8
177.08972	11.1
177.11317	1.0
177.12683	8.3
177.16391	11.5
178.05928	4.2
186.05502	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	176.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41790	0.6
55.05509	0.9
56.05027	1.2
56.96564	8.5
57.93571	0.9
58.99839	1.3
59.06115	3.0
60.04523	0.7
69.03425	0.8
69.95026	1.6
69.95455	2.9
70.12508	0.8
71.10092	0.7
71.95248	1.2
77.00902	1.0
79.05515	0.7
85.02897	1.2
87.05570	1.3
89.03916	1.1
91.05495	1.4
95.01953	0.9
98.97582	37.2
98.98444	1.8
99.05578	0.8
100.02483	5.1
101.00871	2.2
101.07104	1.0
104.02596	0.8
105.07025	0.9
107.08620	1.1
109.02869	0.9
113.00882	0.7
116.01939	9.7
116.97230	5.1
116.98618	57.6
117.03358	1.2
118.03535	16.0
119.01923	28.5
119.03613	1.0
119.08598	0.8
120.02044	2.8
121.01645	5.0
130.03490	1.4
131.01906	15.0
131.08522	0.8
131.99571	1.5
133.03484	1.6
134.02983	100.0
134.04726	2.7
134.99657	74.4
135.03168	3.9
136.00162	0.7
136.04530	4.7
137.02971	16.4
137.03989	2.0
138.03056	1.6
138.49866	1.8
139.02641	1.6
140.00191	2.7
141.05109	1.1
142.03502	2.9
144.57635	0.9
145.02843	2.7
145.06790	2.4
149.03027	4.5
150.00713	2.2
152.02197	1.2
152.04018	24.8
152.05849	1.5
152.96887	2.1
153.00710	17.3
153.04245	1.9
154.03490	6.4
154.07315	2.1
157.04567	5.3
158.01257	8.6
158.02992	12.5
158.04230	1.1
158.04768	0.7
160.04535	2.4
163.07869	1.5
171.01437	6.8
171.06198	1.5
172.04532	1.7
175.98534	2.8
176.02373	5.1
176.04063	40.8
176.05824	5.9
176.07130	6.7
176.10471	1.0
177.00900	2.7
177.04176	2.3
177.05426	2.0
189.02477	4.3
194.03362	2.1
194.05116	12.5
194.06865	2.2
195.05017	0.8
199.05615	2.7
199.07428	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.05507	6.9
56.96570	0.7
57.07066	1.4
61.30272	0.6
65.03922	0.7
67.05500	4.1
69.06715	1.0
69.07065	12.6
69.71756	3.9
74.71401	0.5
79.05499	5.5
81.06574	1.2
81.07054	20.6
83.08603	3.3
85.02906	1.1
91.05475	14.7
92.16606	0.5
93.07032	9.1
95.04944	0.7
95.08604	16.5
97.02874	0.6
98.98463	9.4
103.05450	1.1
105.07026	44.0
106.07384	1.0
106.09325	0.5
107.08595	11.5
109.10174	0.7
110.92087	0.5
115.05457	1.0
117.07011	3.1
119.08575	79.3
120.08919	1.8
121.06452	0.7
121.10131	2.5
125.02364	0.5
128.91658	0.5
129.06993	2.0
131.08549	8.0
132.09351	1.1
133.10123	69.7
134.10457	2.0
142.07756	0.8
145.10095	3.3
146.10870	2.7
147.08131	0.6
147.10487	1.0
147.11671	17.6
157.10141	1.6
160.05270	0.6
160.12431	1.7
161.04738	0.7
173.13229	1.3
175.03908	1.1
175.07587	3.0
175.11446	4.0
175.14819	100.0
176.07063	4.0
176.15230	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	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05505	8.4
61.99249	0.5
65.03935	0.6
67.05501	4.0
69.07063	10.4
70.76749	0.8
70.77105	1.5
76.42919	0.6
79.05480	3.0
81.06574	1.0
81.07050	16.0
82.33651	0.5
83.08608	2.3
91.04897	0.8
91.05476	14.8
93.07036	6.7
95.08603	10.2
98.98460	4.5
103.05435	1.3
105.07024	45.3
106.07320	1.0
107.08590	8.3
109.06517	0.6
109.10128	1.2
117.07040	3.0
118.07788	0.7
119.04912	0.9
119.08571	76.0
119.26518	0.5
120.08878	2.7
121.10145	2.0
129.06978	1.7
131.08557	8.9
132.02110	0.5
133.10120	53.5
134.10458	1.6
145.06383	0.6
145.10179	3.4
146.10887	3.5
147.04477	0.7
147.07996	0.7
147.11682	17.6
160.12482	1.3
173.13220	1.3
175.07570	2.0
175.11212	3.5
175.14812	100.0
176.07011	2.5
176.15144	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05508	6.8
55.44319	0.6
56.96548	0.9
63.11089	0.5
67.05503	3.2
69.07069	19.5
70.61541	1.0
79.05494	3.2
81.07055	13.0
83.08607	3.4
87.04414	0.6
91.05476	11.3
93.07049	6.4
95.04985	0.7
95.08603	10.8
97.02934	0.6
98.98457	7.5
104.06196	0.7
105.07029	35.3
106.07359	1.0
107.08595	7.7
109.10122	0.9
115.05455	1.5
117.07026	3.5
119.08575	77.7
120.08874	1.3
121.10121	2.2
129.07022	1.3
131.08560	4.7
133.10124	64.0
134.10431	1.8
142.07805	0.8
143.05437	1.2
145.10103	4.6
145.71678	0.6
146.10912	1.2
147.07991	1.2
147.11681	11.8
152.05927	1.2
157.10156	1.7
160.05116	0.7
160.08812	0.6
160.12477	3.3
169.41016	0.7
173.13234	1.5
175.03990	0.6
175.07523	4.8
175.11383	4.8
175.14816	100.0
176.07076	2.3
176.15138	3.7
181.04723	0.5
184.83916	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03690	0.6
53.03933	1.3
53.70792	0.6
55.05261	0.8
55.05511	8.1
57.07068	1.8
64.44279	0.5
65.03932	0.6
67.05502	3.1
69.06715	1.0
69.07066	12.0
75.57494	0.6
79.05488	5.0
81.07053	28.7
81.74608	0.5
83.08617	3.2
91.05473	15.2
93.07037	11.0
95.04948	0.9
95.08601	20.7
97.02939	0.7
98.98473	4.5
105.07027	47.2
106.07344	1.3
107.08585	11.2
109.10152	0.9
114.08238	0.5
115.05449	0.8
117.07012	3.3
118.07787	0.6
119.08575	83.9
119.16346	0.6
120.08851	1.2
121.10133	1.9
125.02383	0.5
129.06992	0.8
131.08556	8.0
132.09338	0.8
133.10123	77.8
134.10468	2.8
134.58089	0.5
145.06464	0.6
145.10132	3.9
146.10910	3.1
147.08063	1.3
147.11681	14.9
157.10094	1.0
160.05156	0.7
160.08791	0.7
160.12483	1.6
173.13293	1.9
175.07538	3.3
175.11304	1.9
175.14818	100.0
176.07024	1.6
176.15170	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	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
55.01864	1.2
55.05258	1.0
55.05507	11.7
57.07070	0.8
59.06118	0.7
65.03911	0.8
67.05484	2.7
69.03439	0.9
69.07063	11.9
69.90675	3.1
79.05495	3.6
81.07055	16.8
83.04984	6.1
83.08605	3.4
85.02881	1.2
87.04455	0.8
87.05599	0.8
90.94769	0.8
91.05475	13.2
93.07037	7.1
95.04938	1.0
95.08598	11.0
97.02917	1.5
98.21415	1.1
98.98470	11.5
103.05489	1.6
103.32218	0.8
105.07026	43.4
106.07365	1.7
107.08596	9.7
109.10164	0.9
115.13144	1.2
116.99462	0.8
117.07001	3.3
119.08575	78.3
120.08909	2.7
121.10129	2.0
127.03915	0.9
129.07025	2.3
130.05164	0.7
130.06493	1.7
131.08565	6.8
132.04544	0.7
132.09297	0.8
132.95837	1.4
133.06285	0.7
133.10127	47.5
134.10468	1.5
145.10136	3.2
146.10921	2.8
147.04395	2.1
147.08080	2.1
147.11687	14.8
150.96883	1.2
157.10106	1.3
160.05241	1.1
161.74556	0.7
173.13243	3.0
175.03790	1.2
175.06245	0.8
175.07524	4.4
175.11374	4.3
175.14822	100.0
176.07079	3.1
176.15230	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	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.05513	7.4
57.03427	1.0
57.07054	2.6
65.03950	0.6
67.05502	4.0
69.03417	1.3
69.06718	0.9
69.07063	13.5
70.77917	0.9
70.78225	0.9
79.05493	4.5
81.07055	18.2
83.04985	1.1
83.08620	4.2
85.02889	1.9
85.07678	0.6
86.85089	0.6
87.04460	0.7
88.02209	0.6
91.05479	14.9
93.07037	7.6
95.04974	0.7
95.08608	11.2
97.02850	2.1
98.20799	0.6
98.98466	16.2
103.05444	1.1
105.07027	48.1
106.07383	0.8
107.08580	7.4
109.10135	1.3
111.04428	0.8
115.05431	1.1
117.07014	4.3
119.04910	1.0
119.08575	77.4
120.08912	1.9
121.10122	1.9
125.02336	0.6
128.06319	0.7
129.07018	3.4
130.06520	1.3
131.08578	7.4
132.09360	0.6
132.95876	0.7
133.05138	0.6
133.10124	61.5
134.10446	1.2
142.06721	0.7
142.07773	1.1
145.10153	3.7
145.11115	0.6
146.10916	2.6
147.04407	1.8
147.08073	1.7
147.11687	15.8
148.08775	0.9
150.96828	0.9
155.24065	0.6
157.10110	1.1
160.12482	2.2
173.13263	1.9
175.03841	1.4
175.06049	1.2
175.07401	4.5
175.11397	4.7
175.14818	100.0
176.06992	3.7
176.15215	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.5
55.05506	0.6
56.05023	0.8
56.96560	2.5
57.03438	1.4
58.06601	28.2
59.06110	0.7
59.07381	21.1
60.04518	1.2
60.08163	7.9
60.21696	0.3
61.02914	0.3
62.87656	0.2
63.61309	0.3
67.05492	0.3
68.05031	0.4
69.03426	0.7
69.06779	0.3
69.07073	2.8
69.95348	1.4
70.02934	0.4
70.06590	0.5
70.95863	3.3
71.06106	0.4
72.04498	0.5
72.93782	2.2
72.96993	0.3
73.02910	1.7
73.04045	0.3
73.06538	0.9
74.06056	0.3
75.05590	0.4
82.06556	0.3
83.04970	0.6
83.97628	0.4
84.04491	1.0
84.05325	0.5
84.08125	0.3
85.02894	1.3
85.04009	0.3
85.06544	0.3
86.06065	0.7
87.05589	1.3
88.03980	0.3
88.07645	0.3
88.96886	1.2
90.94805	1.1
91.05468	0.9
95.04947	0.6
96.04482	1.0
97.02889	1.4
97.06573	0.5
98.07200	0.3
98.97552	1.3
98.98464	3.2
99.05553	0.4
102.05534	0.5
105.07048	0.6
111.04438	0.8
111.98474	3.2
112.04767	0.6
113.07171	0.4
113.96368	0.4
113.98637	0.7
114.05525	0.7
114.06559	0.6
115.03943	0.4
115.05068	0.4
116.98606	1.0
116.99388	0.3
118.06516	1.3
119.01822	0.4
119.08569	0.9
126.06624	0.6
128.02336	0.7
128.07057	0.4
129.05420	0.3
129.07007	0.5
129.99503	2.4
130.05817	0.3
131.08511	0.3
131.97401	0.6
131.99669	1.4
132.06613	0.3
132.08015	0.6
132.95844	4.0
133.06044	0.4
133.10136	0.6
134.99649	0.9
146.06020	1.4
146.08096	1.1
147.04323	0.3
149.98471	0.7
150.00748	1.9
150.96892	12.8
155.97372	2.7
156.06471	0.5
156.07590	0.4
156.10226	0.3
157.09822	0.5
158.99698	0.4
162.05452	0.7
168.01909	0.3
168.97922	0.8
173.98506	4.7
174.05521	3.4
174.07634	1.7
174.14896	100.0
175.04172	0.4
175.05954	0.3
175.07484	0.4
175.15184	2.6
177.00705	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29206	1.0
53.00301	1.1
55.05258	1.3
55.05505	14.5
57.03428	1.7
57.07055	1.7
59.04990	5.4
66.83403	0.8
67.05487	2.2
68.05037	0.8
69.03436	1.2
69.07060	10.9
69.65019	6.4
71.08623	100.0
72.08932	1.5
73.63409	0.8
78.85241	0.9
79.05478	1.8
80.76190	0.9
81.07034	4.0
83.04977	10.6
84.04476	1.4
84.36497	0.9
85.06518	1.2
87.04482	1.1
91.05481	4.5
95.08607	1.6
96.45242	0.8
97.02877	0.9
98.21412	1.2
99.08080	65.9
100.08378	0.8
101.06004	9.7
105.07037	6.1
111.04425	15.2
113.05945	1.4
114.05523	1.1
115.05443	2.4
116.06220	2.0
117.06982	5.9
119.08566	7.1
127.07533	1.7
129.05490	6.8
129.06990	5.2
129.12709	5.1
130.07738	3.2
131.08553	30.7
132.08937	1.3
133.10072	1.0
143.08530	11.5
144.09317	3.8
145.06447	2.1
145.10101	18.9
155.07002	11.9
155.08441	2.3
158.07269	6.4
158.09668	1.6
158.10895	18.8
171.11555	1.1
173.05981	1.2
173.06413	1.2
173.08089	18.7
173.09615	16.6
173.13242	61.0
174.07587	2.6
174.13647	1.7
179.71632	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03955	0.6
55.01851	0.6
55.05508	18.4
56.05029	0.7
56.10545	0.4
56.96553	1.8
57.03420	2.0
57.07043	0.5
59.04989	3.9
59.06109	1.7
60.04502	0.6
61.02940	0.5
65.03938	0.6
65.95370	0.4
67.05504	3.9
68.05023	1.1
69.03410	1.7
69.07059	0.7
69.87198	2.5
70.06586	1.1
70.95854	3.0
71.04980	1.0
71.06046	0.4
72.04494	0.7
72.08134	1.1
72.93786	7.6
73.02918	0.5
74.06075	0.9
79.05487	2.5
81.03412	0.9
81.07056	3.5
83.04978	20.5
83.06078	1.0
84.04489	1.7
85.02893	1.3
85.04018	0.7
85.06524	1.5
86.06059	1.1
87.04458	2.1
87.05582	1.5
88.04022	0.5
88.07605	0.5
88.96903	0.8
89.02369	1.6
90.90402	0.5
90.94813	4.6
91.05482	6.7
93.07017	1.3
95.04975	1.0
95.06088	0.5
95.08591	1.0
96.04469	0.8
97.02878	0.7
97.06508	0.6
98.06065	1.1
98.21439	1.0
98.97580	0.5
99.04444	1.9
99.05560	0.8
100.07620	0.4
101.05375	0.8
101.06014	15.7
101.07088	1.1
103.03287	0.5
105.07033	7.9
108.95866	2.8
109.06523	0.6
109.10144	1.3
110.06052	0.5
111.04435	18.4
111.09203	0.8
111.98462	2.9
112.04757	0.5
113.02345	1.2
113.06024	2.6
113.07111	1.1
113.96381	1.1
113.98606	0.6
114.05521	1.1
114.06671	0.5
115.05459	1.6
116.06236	1.3
117.07020	4.4
118.06533	1.0
119.08573	9.9
127.03923	0.8
127.07690	3.0
127.08418	0.7
128.06201	0.9
129.04494	0.9
129.05484	14.2
129.06967	5.8
129.99513	2.1
130.07761	1.6
131.08562	55.3
131.97417	1.7
131.99696	0.5
132.08897	1.2
132.95805	3.9
133.10123	2.3
137.06007	0.7
142.07837	0.6
143.07484	0.9
143.08560	15.7
144.09335	5.7
145.06512	2.5
145.10117	22.4
146.06041	0.9
146.08142	1.3
149.94072	1.1
149.96086	1.8
149.97202	1.2
149.98434	1.0
150.00752	1.6
150.96883	11.6
153.07089	0.5
155.07036	16.7
155.08234	1.0
155.10617	0.6
155.97403	2.8
156.07533	0.7
156.09265	0.8
156.11328	0.9
157.10129	0.7
158.07248	1.0
158.10902	28.6
159.11285	1.2
167.97105	2.4
171.11703	1.5
173.05836	1.3
173.08141	29.5
173.09628	3.9
173.13249	100.0
173.98497	5.0
174.05460	1.0
174.07597	1.4
174.13742	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	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
55.05494	3.2
56.23721	0.6
57.07062	1.5
59.04983	0.8
67.05495	2.8
69.07047	0.7
69.78580	4.6
79.05476	1.5
81.07053	3.7
83.04978	3.3
85.02942	0.9
86.09743	0.8
91.05478	8.5
93.07041	1.7
95.08629	1.1
98.20864	1.6
101.06010	2.8
103.05465	1.0
105.07027	9.7
111.04456	4.5
113.06075	0.8
115.05453	1.7
116.06238	1.9
117.07017	6.0
119.08569	9.7
128.06163	1.3
129.05460	2.1
129.07028	6.8
130.07819	1.4
131.08562	77.6
132.08919	2.5
133.10115	1.9
143.08553	12.1
144.09328	7.7
145.06479	1.3
145.10118	25.2
146.05997	1.4
155.07010	3.0
156.09264	1.2
158.09682	1.4
158.10909	19.6
171.11700	2.1
173.06641	1.1
173.08093	7.0
173.13254	100.0
174.05431	1.3
174.13567	2.3
177.34572	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03949	0.7
55.05512	6.3
57.03430	0.9
57.07080	0.4
59.04998	0.5
67.05505	3.0
68.93439	0.4
69.03444	0.5
69.58989	2.8
70.95871	0.5
71.04990	0.4
72.08144	0.4
72.93796	1.1
79.05499	1.5
81.07061	2.8
83.04978	5.4
85.06548	0.4
86.09743	0.4
87.04463	0.8
89.02434	0.4
90.94849	0.6
91.05477	6.7
93.07058	1.5
95.08613	1.2
97.06527	0.6
97.10139	0.4
101.06012	4.7
101.42922	0.4
101.77285	0.4
105.07030	7.3
107.08596	0.4
108.95890	0.4
109.10141	0.9
111.04444	6.0
111.09177	0.4
111.98470	0.6
113.02360	0.4
113.06005	0.9
114.12825	1.0
115.05458	0.6
116.06214	1.8
117.07019	4.9
119.08579	11.7
127.07513	1.1
128.06219	1.0
129.05495	3.7
129.06989	6.9
129.99501	0.3
130.07819	1.7
131.08563	55.6
132.08881	1.3
132.95819	0.5
133.10115	1.8
142.07813	0.5
143.08560	16.5
144.09358	6.9
145.06465	0.8
145.10118	23.1
146.05966	0.5
146.10437	0.6
150.96915	1.9
155.07030	5.9
155.08253	0.7
155.10669	0.4
155.97325	0.5
156.09325	1.9
156.11272	0.5
157.10106	1.1
158.10912	26.4
159.11285	0.8
167.97169	0.6
171.11674	2.3
173.05936	0.9
173.08151	9.5
173.13254	100.0
173.98573	0.9
174.05550	0.4
174.07648	0.7
174.13629	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	171.1378
Annotation	2-(4-Methyl-3-pentenyl)-2-butene-1,4-diol
Peak:m/z	Relative Intensity
53.03925	2.7
55.01866	12.6
55.05262	1.3
55.05506	19.9
56.96548	1.3
57.03430	45.9
57.07058	3.7
59.05005	1.3
59.06107	1.5
60.04511	1.1
65.03924	2.4
67.05499	38.7
69.03426	4.4
69.07060	36.9
70.06584	1.7
71.04986	8.7
71.60191	0.8
71.61481	1.0
72.04510	19.7
72.08138	1.8
73.02892	2.1
73.06535	1.5
78.16427	0.7
79.01838	2.5
79.05483	7.0
81.03408	19.5
81.07047	13.9
83.04980	11.0
83.06093	1.4
83.08141	1.9
83.08611	28.8
84.08137	1.5
85.02891	3.0
85.06529	5.6
86.06100	1.0
86.09686	3.4
87.04455	1.0
87.05569	0.9
89.07143	15.2
91.05470	2.8
93.03316	0.8
93.07029	9.0
95.04955	6.6
95.08598	13.5
97.02884	4.1
97.06517	13.4
97.10163	1.9
98.06018	1.3
99.04478	1.2
99.05571	1.3
99.08062	2.2
100.93595	0.8
101.05992	1.5
104.03436	1.0
105.07014	1.4
107.01305	24.3
107.04894	0.9
107.08580	15.6
108.01644	0.8
109.02869	35.0
109.06501	3.8
109.10144	100.0
110.01204	2.0
110.07133	1.0
110.10452	1.8
111.04420	10.5
111.08073	18.1
111.09179	3.8
112.03924	1.6
115.05431	1.5
119.01791	2.9
125.02346	22.0
125.05997	1.6
125.09631	6.2
126.05503	1.3
126.09183	1.2
126.10210	1.0
127.02957	1.8
127.03903	34.9
127.08624	1.5
127.11179	29.4
128.02296	1.7
128.04263	1.1
128.06190	4.8
129.06984	1.1
130.08687	1.0
135.00775	1.3
135.08020	2.1
135.11668	6.9
139.03888	7.1
141.06987	2.3
142.07744	1.1
143.03351	1.8
143.08531	5.7
147.96936	1.5
153.01823	27.9
153.09053	6.2
153.12744	8.6
154.02118	1.1
154.09721	1.6
156.09294	6.7
157.01332	2.2
165.97937	1.6
171.02892	21.2
171.04243	1.5
171.05415	1.6
171.08102	2.9
171.10072	1.5
171.11514	7.1
171.13741	3.3
171.14958	14.3
171.16316	1.3
172.06021	1.1
172.07481	1.2
172.09680	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1015
Annotation	Boonein
Peak:m/z	Relative Intensity
52.73196	0.5
53.03936	0.9
55.01855	2.6
55.05507	7.5
57.03435	4.4
59.05008	0.6
65.03938	4.7
67.05501	64.0
67.47227	0.5
68.05847	0.6
68.99784	0.6
69.03426	2.6
69.07069	4.4
69.49358	0.4
69.59656	3.8
70.06595	0.6
71.04981	2.1
72.04509	4.3
72.08135	1.0
73.02909	4.0
79.05486	35.0
80.05805	0.7
81.03405	4.5
81.07052	31.9
83.01339	1.5
83.04974	10.6
83.06054	0.6
83.08601	2.7
84.08141	0.5
85.02892	0.6
86.09681	1.2
87.04425	0.6
89.07150	3.9
91.05478	6.8
93.03397	3.7
93.07041	4.3
95.04971	1.3
95.08604	2.1
97.02962	0.6
97.06510	3.0
97.10161	1.6
100.92551	0.5
104.03466	1.0
105.07022	3.6
107.01305	4.9
107.04929	1.9
107.08587	100.0
108.08923	2.6
109.02875	7.4
109.06506	3.5
109.10150	21.8
110.10484	0.7
111.04434	34.6
111.08065	3.9
111.09192	1.0
112.04791	1.1
115.05463	0.7
117.07000	1.9
119.01781	1.1
119.06096	0.8
125.02315	4.0
125.05975	0.7
125.09624	12.1
125.10552	0.8
126.10094	0.5
127.03895	8.1
128.04245	1.5
128.06259	1.0
135.00717	0.7
135.08044	8.3
135.11691	0.8
139.00177	0.6
139.03899	4.2
143.05945	0.6
143.08598	1.0
153.01813	6.7
153.09093	41.1
154.09540	1.1
156.03737	1.8
156.09340	1.8
171.02924	2.7
171.06099	2.6
171.07855	0.7
171.10164	9.3
171.11719	2.1
171.14948	2.7
189.82498	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0651
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
50.29209	0.3
51.94609	0.4
53.03942	0.7
55.01870	2.2
55.05500	2.7
56.96561	0.4
61.63393	0.4
65.03936	16.9
67.05492	1.6
68.99786	6.1
69.03427	1.5
69.07087	0.4
69.32597	1.0
69.33010	2.6
70.06596	0.5
72.04517	0.9
81.03413	4.0
83.04976	8.2
83.08653	0.5
89.07170	0.6
93.03395	4.8
96.02097	1.0
97.02882	1.3
98.21506	0.6
107.01292	1.2
109.02888	2.8
110.03592	0.4
111.04436	66.5
112.04761	1.1
121.02900	0.8
121.03984	4.3
125.02343	1.1
125.05994	0.4
127.03910	2.4
139.03893	100.0
140.04256	2.1
147.96980	0.4
153.01816	1.6
153.10161	0.4
156.03801	0.6
171.02866	0.7
171.06525	9.8
171.07901	0.5
171.14969	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0651
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
55.01864	2.6
55.05508	3.6
56.53503	0.3
56.96558	1.0
58.70762	0.3
61.69361	0.3
65.03936	21.6
66.04248	0.4
67.05494	1.8
68.99785	7.6
69.03429	1.8
69.07059	0.5
71.01332	0.3
71.04971	0.6
71.33842	0.4
72.04502	2.1
73.02920	0.3
79.01835	0.7
79.05487	0.8
81.03411	6.9
81.07052	0.7
83.01323	0.5
83.04977	9.8
83.08598	0.5
84.04500	0.6
84.08141	0.5
85.02857	0.4
85.03996	0.4
86.08996	0.3
86.26406	0.3
89.07162	1.7
93.03391	4.4
95.04972	0.6
96.02097	1.1
97.02897	1.5
97.06520	0.6
97.10146	0.5
98.97526	0.5
107.01298	4.3
107.08601	0.5
109.02216	0.5
109.02877	5.2
109.07635	0.4
110.01253	0.5
111.04432	80.5
111.09175	0.6
112.04800	1.3
114.06651	0.3
121.02879	1.1
121.03989	5.1
125.02336	3.8
125.05972	0.8
125.09603	0.3
127.03068	0.6
127.03910	6.0
128.02310	0.3
128.04224	1.3
128.06232	0.5
129.47537	0.3
135.00720	0.6
139.03891	100.0
140.04176	2.1
143.03372	0.4
143.08536	0.4
147.96895	0.8
153.01831	5.3
153.05373	0.4
154.09724	0.3
154.13397	0.4
156.03726	2.1
156.09351	0.7
157.01335	1.2
165.98016	0.8
171.02927	2.7
171.06509	9.4
171.11517	0.6
171.14932	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.5
53.03942	6.3
55.01862	4.2
55.05498	7.7
56.59860	1.0
56.96552	3.8
57.03432	2.4
57.07068	1.1
59.06110	1.0
67.05488	2.2
69.03429	6.7
69.07062	5.9
71.04994	1.2
71.60288	1.4
72.04511	17.8
73.02908	3.2
73.11303	1.0
79.01856	6.5
79.05474	2.1
81.03414	55.4
81.07047	2.7
83.04989	2.1
83.08605	7.6
84.04492	1.5
85.02890	2.4
87.04475	1.7
89.07144	13.1
91.05524	1.3
93.07027	3.0
93.22419	1.1
95.04969	1.7
96.02097	2.3
97.02872	7.9
97.06506	2.0
97.99147	1.3
98.97590	1.7
107.01310	64.6
107.08588	2.0
109.02873	100.0
109.06497	1.1
109.10127	1.7
110.01266	2.7
110.03164	1.5
111.04454	8.4
111.08051	2.2
114.90638	1.0
115.05434	1.8
116.98645	1.2
119.01794	3.8
125.02344	60.5
125.06010	1.7
125.09640	1.5
127.03909	98.6
128.02292	5.4
128.04280	1.9
128.06190	5.4
129.06985	3.1
130.52580	2.4
134.99722	1.2
135.00751	4.4
135.11659	1.3
139.03915	5.8
139.53082	2.8
141.06981	3.7
142.07774	2.0
143.03389	2.5
143.06010	1.1
143.08545	11.8
144.08081	3.5
153.01819	74.9
153.09135	1.8
153.58076	1.0
156.09349	15.2
171.02892	47.0
171.06677	1.8
171.08034	4.5
171.10214	2.2
171.11664	20.9
171.13594	1.5
171.14923	13.9
172.07500	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0287
Annotation	Gallate
Peak:m/z	Relative Intensity
51.02370	1.4
53.03934	4.2
54.46046	0.8
55.01862	3.6
55.05511	7.3
56.96546	3.4
57.03438	2.0
67.05488	1.9
69.03419	5.0
69.07048	3.9
69.95757	0.8
70.62386	1.9
70.62765	1.5
71.04970	0.8
72.04514	16.5
73.02889	2.2
79.01843	6.8
79.05468	3.2
81.03410	61.2
81.07053	1.4
82.03722	1.0
83.04953	1.7
83.08613	6.1
85.02879	1.9
89.07143	13.9
91.05408	1.0
93.07059	1.4
93.73628	0.9
95.08599	1.1
96.02097	2.7
97.02894	7.3
97.06517	1.8
97.10136	1.0
98.01337	0.8
98.97575	1.5
99.08044	0.8
107.01302	65.0
107.08562	2.2
108.01635	1.8
109.02869	98.4
109.10167	1.6
110.01250	4.7
110.03187	2.0
111.04441	3.6
111.08036	1.3
111.09178	1.5
116.98592	1.8
119.01775	4.9
121.07723	1.0
125.02341	54.5
125.05957	1.1
125.09609	1.5
126.05453	0.9
127.03905	100.0
128.02332	4.8
128.04256	1.6
128.06192	5.7
129.07011	2.4
130.52626	1.2
134.99724	1.6
135.00766	4.6
137.02800	2.5
139.03886	2.5
139.53102	1.3
139.64857	0.8
141.06985	1.8
142.07761	1.9
143.03372	2.8
143.08537	6.8
144.08098	1.2
153.01817	79.7
153.07368	0.9
153.09062	0.9
153.12692	1.4
154.02145	2.6
156.09293	7.8
171.02878	47.6
171.08055	3.5
171.10066	2.0
171.11673	10.7
171.14906	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	171.0287
Annotation	Gallic acid
Peak:m/z	Relative Intensity
50.82644	1.0
53.01746	0.9
53.03933	4.5
55.01855	2.9
55.05497	4.4
56.96552	1.1
57.03432	1.3
57.07053	0.9
58.99585	1.4
64.80089	0.9
67.05477	3.5
67.39188	0.9
68.05008	1.6
69.03416	5.4
69.07035	2.3
71.04993	1.3
71.60429	1.4
72.04511	7.1
73.02910	1.2
76.41002	1.0
79.01837	6.2
79.05486	1.5
81.03413	52.5
81.07042	2.7
81.77203	0.9
83.04960	1.3
83.08605	3.1
89.07161	7.2
93.07026	1.0
96.02101	2.4
97.02879	5.9
97.06541	1.1
98.97571	1.8
105.00063	1.2
107.01309	67.4
107.08569	2.8
108.01643	2.1
109.02874	98.1
109.10128	3.6
110.03191	2.3
111.04417	2.0
111.09167	1.4
119.01754	1.8
125.02348	55.6
125.09622	1.2
126.02764	1.5
126.03745	4.9
127.03908	100.0
128.04266	2.2
128.06224	3.1
134.99791	1.2
135.00795	6.0
137.03600	1.2
139.03931	2.0
141.07031	2.1
142.07727	1.9
143.03325	2.1
143.08556	7.0
153.01819	83.2
153.09105	1.1
154.02150	2.4
156.09344	12.9
158.99643	1.4
171.02879	40.2
171.11630	13.1
171.14906	6.0
172.04326	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.5
53.03942	6.3
55.01862	4.2
55.05498	7.7
56.59860	1.0
56.96552	3.8
57.03432	2.4
57.07068	1.1
59.06110	1.0
67.05488	2.2
69.03429	6.7
69.07062	5.9
71.04994	1.2
71.60288	1.4
72.04511	17.8
73.02908	3.2
73.11303	1.0
79.01856	6.5
79.05474	2.1
81.03414	55.4
81.07047	2.7
83.04989	2.1
83.08605	7.6
84.04492	1.5
85.02890	2.4
87.04475	1.7
89.07144	13.1
91.05524	1.3
93.07027	3.0
93.22419	1.1
95.04969	1.7
96.02097	2.3
97.02872	7.9
97.06506	2.0
97.99147	1.3
98.97590	1.7
107.01310	64.6
107.08588	2.0
109.02873	100.0
109.06497	1.1
109.10127	1.7
110.01266	2.7
110.03164	1.5
111.04454	8.4
111.08051	2.2
114.90638	1.0
115.05434	1.8
116.98645	1.2
119.01794	3.8
125.02344	60.5
125.06010	1.7
125.09640	1.5
127.03909	98.6
128.02292	5.4
128.04280	1.9
128.06190	5.4
129.06985	3.1
130.52580	2.4
134.99722	1.2
135.00751	4.4
135.11659	1.3
139.03915	5.8
139.53082	2.8
141.06981	3.7
142.07774	2.0
143.03389	2.5
143.06010	1.1
143.08545	11.8
144.08081	3.5
153.01819	74.9
153.09135	1.8
153.58076	1.0
156.09349	15.2
171.02892	47.0
171.06677	1.8
171.08034	4.5
171.10214	2.2
171.11664	20.9
171.13594	1.5
171.14923	13.9
172.07500	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0858
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
53.03941	4.0
54.71664	0.5
55.01864	4.8
55.05509	5.4
56.05020	1.4
56.96555	1.0
57.03429	2.0
57.07072	0.7
58.06579	0.8
59.06105	1.7
65.03932	1.9
67.05167	0.8
67.05502	11.3
68.05018	1.0
68.99427	1.0
68.99789	13.9
69.03415	1.9
69.07059	1.9
70.06591	1.4
71.04980	4.5
71.60285	0.9
72.08142	1.5
79.05484	7.1
81.03416	17.4
81.04523	0.9
81.07054	16.8
82.06570	1.1
83.04977	14.3
83.06076	1.2
83.08612	3.1
84.04433	0.8
84.08116	1.3
85.02896	5.4
85.06526	1.9
85.07641	1.0
91.05463	2.2
93.07050	4.1
94.06548	0.6
95.01322	1.3
95.04958	6.1
95.08606	21.2
95.09226	1.0
96.04567	0.5
97.02850	0.9
97.06518	1.4
97.07640	0.8
98.03677	2.3
98.07171	0.6
99.04445	3.3
99.08107	1.2
105.07022	8.9
107.04958	8.2
107.08576	2.4
109.02879	32.6
109.06504	5.4
109.07646	2.0
109.10144	4.9
110.03143	0.8
110.06053	1.1
110.07158	2.1
111.00795	10.1
111.04458	3.1
111.05543	0.8
111.08067	4.3
111.09189	6.3
113.02325	0.6
113.06026	0.8
123.00788	0.6
123.04457	4.2
123.08066	20.2
123.11711	2.5
124.07592	0.7
124.08642	0.8
125.05953	1.1
125.09678	0.7
126.03136	14.9
126.10295	1.2
127.03914	100.0
128.04248	1.6
128.95103	0.8
133.02829	0.7
133.05409	0.5
133.06483	2.7
133.10126	1.8
133.15752	0.6
141.05457	45.2
141.09091	0.8
142.05779	0.7
146.96141	0.8
151.03891	5.3
151.07533	18.1
151.11143	2.6
152.07022	1.0
152.08125	1.9
154.02603	2.2
154.07747	0.8
169.01302	2.3
169.04964	23.3
169.07533	1.9
169.08617	51.6
169.12276	1.2
169.14503	1.1
170.24397	0.5
181.03474	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0494
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
53.03933	0.7
55.01860	0.7
55.05487	1.0
65.03925	1.1
67.01853	4.0
67.05486	4.0
68.99785	4.0
70.11101	0.6
70.21698	1.1
70.22067	2.2
71.04975	1.1
71.46220	0.5
79.05475	0.9
81.03420	3.6
81.07056	2.9
83.04955	1.6
85.02864	1.6
91.05472	0.6
93.07042	1.1
95.04959	7.2
95.08599	1.0
98.03693	0.8
99.04453	0.6
102.98816	0.5
105.07030	0.8
107.08557	0.7
109.02876	9.5
109.06526	0.7
109.08366	0.5
109.10141	0.9
110.07178	1.0
111.00787	5.4
111.04417	0.6
111.08055	3.1
111.09187	3.2
113.05994	0.8
113.58159	0.5
123.04420	29.8
123.08034	0.8
123.11617	0.7
124.08762	0.7
125.05999	0.9
126.03133	9.2
127.03915	11.5
128.95093	0.7
133.10132	1.0
141.05455	26.0
151.03896	43.0
151.11102	0.7
152.04257	0.9
154.02568	1.2
155.03337	1.3
169.04958	100.0
169.12320	0.9
170.05319	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	167.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02748	0.6
53.03928	2.2
55.01852	2.2
55.05264	1.1
55.05509	14.7
56.96554	0.7
57.03424	1.4
57.07070	1.2
59.04988	1.1
59.06126	0.7
65.03923	1.2
66.04705	1.0
67.05502	7.7
68.05045	0.7
68.99770	0.7
69.03412	3.7
69.06718	1.1
69.07065	12.7
70.06565	1.0
71.04990	7.5
71.60631	0.9
73.06561	3.1
78.04705	11.7
79.05058	1.0
79.05489	11.2
80.05002	1.2
81.03394	2.7
81.07061	12.4
82.06573	1.2
83.04988	4.6
83.08622	9.4
84.96027	1.0
85.02911	0.7
85.06529	1.6
88.48814	0.5
91.05483	4.2
93.03400	1.0
93.06468	1.2
93.07037	22.5
94.07387	1.0
94.66457	0.7
95.04967	4.8
95.08601	18.6
96.04487	10.0
96.05716	1.4
97.02888	0.7
97.06536	4.0
97.07615	0.8
97.10124	1.0
98.06042	2.7
102.55923	0.7
103.05428	0.7
105.03396	2.6
105.04526	0.6
105.07030	2.7
106.04180	3.7
107.04955	5.6
107.08582	15.3
108.08875	0.9
109.02877	3.6
109.06515	3.2
109.07657	1.6
109.10149	9.2
110.06054	0.7
111.04441	1.7
111.08096	4.3
111.09213	0.7
121.01633	2.3
121.02853	1.8
121.06493	2.4
121.09313	1.0
121.10141	14.4
122.03631	1.4
122.07179	0.9
123.04428	21.2
123.08019	1.7
123.11688	3.3
124.05228	7.2
125.05996	1.5
125.08213	0.9
125.09624	1.8
126.05522	3.2
127.03934	1.3
131.08618	1.0
134.03658	1.0
135.04419	1.0
137.05960	1.0
138.05501	9.8
139.02748	1.0
139.03902	1.8
139.07516	2.0
139.11127	1.6
140.03398	0.8
144.03246	1.8
149.02324	1.7
149.05966	1.3
149.09612	2.3
149.13255	9.3
150.06543	0.8
150.09099	0.8
150.10196	1.3
151.03949	4.3
152.04686	5.6
162.04318	1.1
167.03391	4.5
167.07036	100.0
167.10616	4.8
167.14299	8.5
168.04231	1.2
168.07503	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	167.1431
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03932	3.8
55.01874	1.8
55.05263	1.5
55.05511	22.3
56.14936	0.9
56.96560	1.2
57.03431	5.5
57.07074	9.4
59.04987	3.9
65.03930	2.2
67.05503	17.5
68.05004	1.0
69.03419	4.3
69.07066	31.2
69.27403	7.8
69.27815	3.2
71.04982	4.4
74.35337	0.9
78.04706	10.2
79.05062	1.6
79.05490	20.0
81.03416	1.7
81.07049	47.1
82.07369	1.5
83.04980	12.2
83.08141	1.7
83.08619	32.5
84.96016	1.4
85.02917	1.3
85.06518	3.2
86.29742	1.0
91.05477	15.4
93.07042	83.6
94.04173	1.0
94.07360	2.2
95.04963	8.8
95.08604	41.9
95.20869	0.9
96.05741	1.1
97.02895	1.3
97.06520	7.3
97.10159	5.7
98.21501	2.0
105.03390	3.5
105.04508	1.3
105.07032	6.9
106.04160	5.0
107.04960	6.2
107.08589	82.8
108.08891	2.3
108.30885	1.1
109.02859	4.1
109.06515	6.8
109.07623	2.9
109.10155	26.4
111.04465	2.7
111.08074	11.7
111.09240	1.0
112.08863	1.4
119.08566	1.2
121.01671	5.0
121.02846	1.1
121.06524	2.3
121.10138	45.2
122.03649	1.9
122.07130	2.5
122.10516	1.4
123.04427	21.8
123.08038	3.0
123.11696	20.4
124.05222	9.1
125.06003	2.2
125.08167	1.3
125.09633	4.6
126.05444	1.0
131.08536	2.3
137.05942	1.5
137.13261	2.2
139.02754	1.9
139.03836	1.3
139.07521	1.7
139.11116	1.1
144.03279	3.1
149.02321	2.5
149.05969	1.9
149.09590	4.1
149.13257	43.2
150.10248	2.1
151.03885	3.6
152.04678	3.8
162.04256	1.3
167.03461	5.0
167.07036	100.0
167.10675	7.5
167.13034	1.5
167.14302	39.9
168.02780	1.3
168.07414	4.2
170.95360	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03934	3.2
55.01862	2.2
55.05506	83.7
57.03423	3.0
57.07060	2.8
59.04996	9.4
65.03920	1.1
67.05499	15.2
69.03420	20.1
69.07057	8.9
69.63390	5.0
69.63810	1.7
71.04988	3.9
71.08656	0.9
71.10668	0.8
78.04707	4.7
79.05479	6.2
81.07053	12.3
81.57516	0.8
82.06573	1.1
83.04972	100.0
83.08608	41.3
84.05308	1.0
85.06529	8.9
91.05458	2.9
93.07048	9.2
95.04959	2.6
95.08595	8.2
97.06525	4.7
97.10162	12.5
98.21528	0.9
99.08067	2.0
105.07018	2.2
106.04158	2.0
107.04971	1.7
107.08574	14.0
109.02856	2.6
109.06516	0.9
109.07645	2.4
109.10144	24.4
110.07134	0.8
111.08076	28.9
111.08891	1.3
111.09195	1.5
112.08862	7.8
113.09628	3.8
121.10136	14.4
123.04415	5.9
123.08061	1.0
123.11687	11.8
124.05181	2.8
125.05996	1.4
125.09625	15.6
135.04422	0.9
137.06053	1.1
139.03903	1.3
139.07536	0.9
139.11098	1.2
149.02289	1.3
149.04973	2.3
149.09608	1.2
149.13213	5.9
150.10231	1.8
151.03877	1.7
152.04691	1.6
167.03433	1.3
167.07030	42.9
167.10652	1.9
167.14297	61.2
168.07487	2.0
168.14645	2.6
170.92836	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.5
55.01858	2.4
55.05509	87.2
56.05835	1.8
57.03412	3.9
57.07056	4.1
59.04997	10.6
59.06104	1.6
65.03909	1.0
67.05501	16.0
69.03083	1.4
69.03428	22.3
69.07067	8.2
70.06588	1.7
71.04977	2.6
71.17097	1.4
71.17419	1.1
78.04707	4.4
79.05486	7.5
81.07056	14.4
82.06554	1.8
83.04977	100.0
83.08614	43.3
84.05290	1.3
84.08143	1.0
85.06544	8.5
85.07615	0.9
87.59129	0.9
91.05447	3.6
93.07044	9.6
95.04957	2.4
95.08595	9.0
95.69239	0.9
97.06545	5.2
97.07042	1.1
97.07625	1.0
97.10168	11.3
98.21217	1.4
99.08090	2.6
102.82668	0.9
105.07002	2.1
106.04161	2.1
107.04948	2.4
107.08582	18.1
109.02854	1.6
109.06500	3.2
109.07642	4.1
109.10149	25.5
110.08399	1.9
111.08074	28.0
111.09204	2.2
112.08869	7.9
113.09631	3.2
119.90860	1.0
121.01672	1.3
121.06471	1.0
121.10134	11.8
122.07105	1.6
123.04429	9.5
123.08056	1.7
123.09219	0.9
123.11710	10.9
124.05207	1.7
124.08743	2.0
125.09631	15.3
134.05638	0.9
135.04373	1.2
139.11206	1.7
149.02296	2.0
149.04922	1.4
149.09601	1.7
149.13229	6.5
150.10217	4.4
151.03912	1.9
152.04613	2.4
167.03418	1.7
167.07034	46.5
167.09183	1.8
167.10597	1.8
167.14302	60.9
168.06345	1.3
168.07538	1.4
168.10199	2.5
168.14642	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1066
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02372	0.4
53.03940	1.5
55.01865	0.8
55.05509	2.3
56.96550	0.2
57.03431	2.1
57.07066	0.5
59.04997	0.6
59.06118	0.3
61.02920	0.4
65.03937	0.6
65.37841	0.2
66.04707	0.2
67.05505	2.3
68.05017	0.3
69.03430	1.3
69.07071	1.3
70.06612	0.3
71.05016	0.5
71.35426	0.3
72.08149	0.2
75.04477	7.4
77.03914	0.5
78.04709	2.5
79.05486	10.5
81.03405	0.7
81.07055	7.6
82.06575	0.4
82.07362	0.2
83.04977	2.0
83.08611	0.6
84.04529	0.3
84.08144	0.4
85.02898	0.3
85.06518	0.3
85.07659	0.4
87.04453	0.6
91.05475	12.2
93.07037	100.0
94.07370	1.9
95.04962	4.6
95.06030	0.2
95.08595	3.6
96.05724	0.3
97.02879	0.2
97.06515	2.0
97.07630	0.2
97.10177	0.3
99.04480	0.3
103.05446	0.7
105.03379	0.3
105.04507	0.7
105.07021	7.6
106.04176	0.8
106.07813	0.6
107.04955	2.1
107.08588	16.4
108.08848	0.3
109.02866	0.6
109.06514	2.2
109.07633	0.8
109.10159	1.4
110.08453	0.2
111.04465	1.2
111.08073	18.3
111.09271	0.5
112.08411	0.4
119.08584	1.7
121.01672	0.8
121.02878	0.3
121.06533	1.1
121.10135	61.0
122.03632	0.2
122.07166	0.5
122.10491	1.4
123.04431	4.7
123.08077	2.5
123.11690	2.1
124.05213	1.8
124.08691	0.4
125.05985	2.2
125.08230	0.3
125.09631	1.1
126.05560	0.2
131.08586	1.6
133.07602	0.6
134.03653	0.2
135.04411	0.3
139.02711	0.6
139.03882	0.8
139.07526	0.6
139.11191	3.3
144.03235	0.9
149.02336	0.9
149.05965	0.3
149.09605	7.4
149.13213	1.4
150.06621	0.3
150.10216	1.2
151.03894	0.9
152.04683	0.8
167.03456	1.2
167.07030	23.2
167.09363	0.7
167.10661	8.8
167.12909	0.5
167.14252	1.0
172.59116	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Apocynin
Peak:m/z	Relative Intensity
53.03925	0.9
53.95099	0.2
55.01860	0.6
55.05502	1.9
55.05733	0.4
57.03419	0.5
58.43899	0.3
59.04986	0.3
65.03929	1.0
66.04710	0.9
67.05505	1.9
67.93530	0.3
69.03415	1.0
69.07064	1.8
70.06604	0.3
70.19285	0.9
70.19712	0.5
70.36821	0.3
71.01364	0.3
71.04969	0.8
71.37691	0.2
78.04707	11.1
79.05133	0.3
79.05486	7.1
81.03403	0.8
81.07056	3.1
81.07471	0.5
82.04137	0.3
82.06608	0.3
83.04981	2.3
83.08583	1.0
84.96004	0.5
85.02887	0.5
85.06525	0.3
86.59057	0.3
91.05472	1.7
93.03389	0.8
93.07040	5.7
94.04175	0.9
95.04967	3.1
95.08598	1.9
96.05733	0.8
97.02871	0.3
97.06515	1.2
105.03385	2.8
105.04479	0.5
105.07004	0.9
106.04176	4.2
107.04941	3.5
107.08583	4.4
109.02865	1.8
109.06516	2.0
109.07621	0.6
109.10123	1.5
110.07160	0.4
111.04449	0.9
111.08041	1.7
111.09240	0.4
121.01646	1.6
121.02832	1.1
121.06481	1.2
121.08441	0.5
121.10131	4.5
122.03618	1.0
122.07127	0.8
123.04421	20.7
123.08057	1.4
123.11709	0.9
124.05223	7.3
125.05973	1.2
125.08221	0.8
125.09618	0.9
127.03892	0.3
131.08562	0.6
134.03595	1.1
135.04419	1.1
137.05960	0.8
138.03059	0.5
139.02669	0.9
139.03802	0.6
139.07530	1.8
139.11172	0.5
144.03214	1.7
149.02362	1.5
149.05995	0.7
149.09573	1.4
149.13266	1.4
150.06564	0.3
150.10297	0.9
151.03896	3.8
152.04683	4.8
162.04349	0.6
167.03409	1.9
167.07030	100.0
167.10626	2.7
167.14261	2.7
168.04175	0.7
168.07452	3.1
175.85052	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0862
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
53.80450	0.2
71.05576	0.5
79.05477	0.9
83.45093	0.2
91.05469	0.5
93.07037	1.3
97.40419	0.2
103.05456	7.2
107.04942	1.6
107.55515	0.2
119.07300	0.2
120.08098	100.0
121.08442	2.9
131.04913	2.2
145.69489	0.2
146.32774	0.2
149.05952	0.9
164.10260	0.2
166.07349	0.4
166.08621	2.7
167.06998	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Apocynin
Peak:m/z	Relative Intensity
53.03930	1.3
55.01856	0.7
65.03931	0.6
66.04715	0.3
67.05491	0.4
68.99766	0.3
69.03420	0.5
69.81116	1.8
74.65115	0.3
77.03905	0.4
78.04268	0.4
78.04704	5.7
79.05483	7.5
81.07051	1.6
83.04980	0.4
91.05477	5.3
93.03416	0.4
93.07038	7.8
95.04969	3.0
96.05736	0.5
97.06519	0.5
100.29858	0.3
103.05481	0.3
105.03383	0.6
105.42176	0.3
106.04178	2.4
107.04926	1.0
109.02859	0.5
109.07646	0.5
111.75163	0.3
121.02879	0.8
121.06495	5.3
121.10043	0.3
122.03673	0.8
122.06889	0.4
123.04424	11.4
123.05315	0.6
124.05226	3.7
134.03642	0.5
135.04453	0.4
137.05965	0.4
139.03821	0.4
139.07555	0.6
149.02371	0.4
149.05991	2.0
150.10240	0.4
151.03912	2.0
152.04703	2.5
167.07028	100.0
168.07391	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	166.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.1
56.82877	0.2
69.71761	0.1
71.05379	0.4
74.62175	0.1
78.37962	0.1
78.86076	0.1
79.05495	1.1
82.73257	0.1
82.91494	0.1
91.05454	0.7
93.07040	2.2
95.04956	0.4
103.05456	9.9
104.05766	0.2
107.04951	2.1
111.38615	0.1
115.33361	0.1
118.06555	0.2
120.08094	100.0
121.08430	3.0
129.07623	0.2
131.04912	2.0
147.24501	0.1
149.05937	0.7
166.08611	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1637
Annotation	1-Ethenyl-1-methyl-4-(1-methylethylidene)-cyclohexane
Peak:m/z	Relative Intensity
55.05507	4.8
57.07070	7.2
61.34261	0.4
65.03949	1.1
66.14069	0.5
67.05500	33.9
69.03435	0.5
69.07066	7.7
71.08630	4.5
75.55354	0.4
79.05499	2.3
81.07050	29.9
82.07391	0.9
83.08615	3.6
85.10168	2.6
91.05473	3.8
93.07045	2.2
95.04979	1.1
95.08600	62.6
96.08936	1.5
97.10136	0.6
98.21474	1.2
101.00881	0.9
105.07024	1.3
107.08592	2.7
109.06532	1.2
109.10147	100.0
110.10477	2.7
119.01915	6.0
119.04919	4.3
119.08602	1.8
120.08075	0.7
121.10157	1.6
122.07229	0.9
123.08047	1.5
123.11700	30.1
124.12038	0.7
133.02914	0.7
135.08009	0.5
136.08839	0.6
137.02966	2.7
137.05981	0.8
137.09610	3.1
137.13251	1.5
142.03496	3.8
143.03571	0.6
147.04401	9.7
147.07986	0.6
147.11703	0.9
148.04799	0.6
149.09579	0.8
150.10394	2.9
160.04547	1.9
165.01830	0.5
165.05426	1.1
165.07776	0.4
165.09103	2.6
165.12744	23.2
165.16383	21.8
166.05055	0.7
166.09785	0.4
166.13127	0.7
166.16742	1.3
167.72163	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1273
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03938	1.4
55.01848	1.1
55.05509	4.9
56.05025	1.0
56.48672	0.6
57.03433	4.1
57.07071	4.8
59.04988	3.2
65.03931	1.9
67.05499	26.7
68.05006	1.0
68.05817	0.8
69.03421	7.3
69.07063	8.6
70.06576	1.3
70.84661	1.8
71.04958	1.0
73.87843	0.5
75.83163	0.6
79.05055	1.0
79.05486	13.2
80.05804	0.8
81.03383	2.5
81.07051	27.8
82.06566	0.8
82.18925	0.6
83.04987	3.2
83.06075	2.0
83.08606	2.3
85.06516	0.7
86.08468	0.6
91.05473	17.5
93.06575	0.6
93.07042	7.3
95.04962	45.9
95.08600	27.3
96.08908	0.9
97.06480	1.0
97.07644	1.0
101.00864	1.9
103.05464	0.7
103.95531	0.6
105.07027	17.6
106.07377	0.6
107.04963	3.8
107.06059	1.3
107.08587	46.3
108.05692	1.5
108.08909	2.1
109.02788	0.7
109.06509	24.0
109.07621	1.4
109.09278	1.1
109.10139	3.9
109.97160	0.6
110.07316	1.3
111.08063	0.7
111.09190	0.9
113.07041	0.6
117.07018	3.2
119.01114	1.1
119.01913	10.8
119.04934	8.1
119.05831	0.7
119.08571	35.1
120.08067	2.0
120.08900	1.6
120.34870	0.6
121.06480	1.6
121.07596	1.5
121.10126	9.7
122.07176	3.1
123.04465	0.8
123.08057	35.2
123.11695	33.6
124.08660	1.2
124.12022	1.3
125.09457	1.0
128.06281	0.8
129.06984	1.3
132.05678	2.8
133.02824	1.2
133.06467	0.8
135.11653	1.7
136.08849	1.0
137.02953	5.2
137.05978	3.2
137.09605	6.2
137.12323	1.9
137.13237	5.8
138.10185	1.3
141.09061	1.1
142.03485	9.1
145.10126	0.6
145.43713	0.5
147.04391	16.4
147.08044	20.3
147.11674	12.0
148.04813	1.4
148.08577	2.3
160.04521	3.9
165.01808	1.2
165.05412	2.3
165.09119	11.4
165.11482	4.5
165.12733	100.0
166.04958	2.1
166.09749	0.6
166.13107	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	165.1274
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03942	3.3
55.05515	4.2
55.05736	0.8
57.00751	0.6
57.03415	1.0
57.07076	3.0
65.03909	0.7
67.05167	0.9
67.05499	11.0
69.03425	18.2
69.07061	6.4
70.85690	1.8
71.04992	0.9
79.05481	6.3
80.05007	0.7
81.03415	15.9
81.07050	20.9
82.06595	0.7
82.07397	0.7
83.04966	3.4
83.06113	1.1
83.08586	0.7
85.06548	0.7
91.05476	10.6
93.07032	8.2
95.04964	11.1
95.06033	0.7
95.08601	17.0
97.07651	1.0
101.00874	2.3
101.02547	0.9
105.07030	19.2
107.04948	0.9
107.06067	0.6
107.08594	9.8
109.06508	11.9
109.10147	6.0
110.07294	1.3
111.08080	0.8
114.23289	0.5
117.06985	1.3
119.01920	16.3
119.03634	0.9
119.04937	9.4
119.08574	17.1
120.01955	1.0
120.08092	1.5
120.78016	0.5
121.06488	1.8
121.10133	13.5
122.07259	4.2
123.04388	1.5
123.08064	14.9
123.11705	12.7
124.08690	2.3
133.02792	0.8
133.06432	0.8
136.08812	2.5
137.02968	6.2
137.05963	1.8
137.09612	37.4
137.13232	3.1
138.09964	1.3
142.03491	14.2
142.96729	0.8
143.03629	1.0
147.04405	19.0
147.08054	1.1
147.11687	14.8
148.08685	1.4
148.12027	0.7
160.04544	4.5
165.01833	1.4
165.05452	3.0
165.09120	12.9
165.12743	100.0
166.04944	1.5
166.13094	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	165.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20869	0.2
52.29181	0.2
65.03929	1.2
66.95589	0.2
71.57540	0.5
88.32461	0.2
91.05477	17.5
92.05803	0.5
92.20652	0.2
95.04961	1.2
103.05392	0.3
105.07033	2.1
119.01948	1.3
119.04934	44.4
119.08598	0.5
120.05276	0.9
121.07665	0.2
123.04433	2.1
123.08022	0.4
133.02846	0.3
133.06499	1.2
137.02875	0.3
137.05962	1.6
142.03487	1.0
147.04399	100.0
148.04747	2.2
148.08635	0.3
158.82251	0.3
160.04524	0.3
164.86856	0.2
165.05490	2.4
165.09088	0.8
165.11366	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
52.15622	0.3
65.03927	0.7
67.50224	0.2
69.54601	1.7
71.99028	0.2
72.94682	0.2
76.04382	0.3
91.05476	18.8
91.21252	0.3
92.05830	0.3
93.07011	0.3
95.04968	1.1
95.59757	0.2
98.20751	0.5
105.07011	0.3
107.08540	0.4
119.01969	0.5
119.04935	41.9
120.05286	0.7
123.04414	1.5
123.08035	0.2
133.02837	0.3
137.05960	0.9
147.04399	100.0
148.04709	2.2
150.00409	0.3
160.04533	0.3
165.05475	3.9
165.09166	0.3
165.12718	0.3
181.35628	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0911
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
53.03942	0.5
55.01870	0.3
55.05511	1.4
57.03444	0.3
58.06596	0.3
65.03949	0.8
67.05500	8.8
69.03426	0.8
69.07071	0.9
70.06611	0.5
70.89722	0.7
71.04991	0.3
79.05482	2.2
80.05042	0.3
81.03415	0.4
81.04521	0.4
81.07047	4.3
82.06580	0.4
83.04976	1.6
83.06105	0.7
91.05476	11.6
92.05790	0.2
93.07031	2.2
94.06554	0.2
95.04970	3.1
95.06055	0.3
95.08603	3.3
96.08894	0.2
97.07657	0.3
101.00883	0.6
101.02564	0.5
103.05463	1.6
104.06265	1.1
105.07039	2.9
107.04939	1.3
107.06099	0.7
107.08593	2.5
109.06493	1.8
109.07636	0.4
109.10150	10.3
110.10439	0.3
111.09197	0.4
115.05452	1.0
117.07038	2.0
119.01919	7.0
119.03654	0.4
119.04930	5.3
119.08572	13.8
120.02013	0.5
120.08096	0.8
120.08902	0.5
121.06497	1.3
121.07600	0.3
121.10148	1.7
122.07272	8.8
123.04475	1.1
123.06643	0.2
123.08099	2.1
123.11703	1.1
124.08750	1.1
128.46266	0.2
132.05707	0.3
133.02831	0.7
133.06467	0.8
135.08054	0.4
136.08836	1.4
137.02960	3.4
137.06007	2.0
137.09605	45.4
138.03067	0.5
138.09967	1.6
142.03496	6.0
142.96704	0.5
143.03596	0.5
147.04407	10.3
147.08034	2.9
147.09149	0.3
147.11682	1.7
148.04753	0.5
148.08632	0.7
150.06764	0.4
154.46233	0.3
160.04529	3.1
163.61069	0.2
165.01825	1.0
165.05482	1.9
165.09100	100.0
165.12706	6.4
166.04996	0.7
166.09451	3.8
166.13072	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08681	0.2
52.37200	0.2
65.03626	0.2
65.03941	0.7
67.05490	0.3
68.05003	0.2
69.07053	0.3
69.33421	2.1
79.05469	0.3
81.04520	0.3
81.07038	0.2
83.06085	0.4
87.41299	0.2
91.05474	15.4
95.04948	1.4
95.06078	0.3
95.08603	0.4
95.28637	0.2
98.20863	0.4
98.21509	0.4
101.00884	0.3
105.02559	0.2
105.07019	0.4
106.87913	0.2
107.06068	0.3
107.08598	0.3
109.06514	0.3
109.07571	0.2
109.10130	0.4
119.01962	2.2
119.04933	39.7
119.08558	0.5
120.05256	0.8
120.08112	0.2
122.07143	0.3
123.04412	2.3
123.08048	0.6
124.08712	0.3
132.47711	0.2
133.02792	0.2
137.02943	1.1
137.05978	0.7
137.09625	0.3
138.10239	0.2
142.03484	1.6
147.04399	100.0
148.04742	3.2
148.08649	0.3
160.04536	0.8
165.01849	0.5
165.05461	2.6
165.06660	0.5
165.09084	0.7
165.11369	0.3
165.12726	0.4
183.02841	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31784	0.2
60.36586	0.2
65.03929	0.6
69.92123	0.2
70.06594	0.3
71.35443	0.5
91.05477	15.1
92.05803	0.3
95.04961	1.2
105.07026	0.3
117.09105	0.2
119.01921	0.7
119.04938	35.8
120.05270	0.9
123.04434	1.7
137.02983	0.3
139.51215	0.2
142.03523	0.8
147.04402	100.0
148.04736	2.4
160.04579	0.4
165.05475	2.1
165.09090	0.5
165.11398	0.4
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
51.02359	0.3
53.03919	0.5
54.03474	0.4
55.01858	0.7
55.05499	0.6
56.05014	1.1
56.96555	0.4
58.06581	0.5
59.06100	0.7
61.32029	0.2
65.03922	0.9
67.05493	1.6
68.05032	1.9
69.03416	1.5
69.04530	0.4
70.06585	1.7
70.60954	0.6
79.05486	1.2
80.05007	1.0
81.03413	0.5
81.04516	0.9
81.07043	1.2
82.06563	1.1
83.04980	0.6
83.06097	2.4
85.07641	1.0
91.05474	20.7
92.05801	0.3
93.07030	1.2
95.04970	3.0
95.06083	0.8
95.08575	1.2
97.06462	0.3
97.07636	1.4
98.07151	0.7
98.20690	0.4
101.00861	1.6
103.05457	0.4
105.04542	0.3
105.07021	1.2
106.15331	0.3
107.04947	0.6
107.06033	1.3
107.08586	0.7
108.05613	0.5
109.02843	0.4
109.06489	1.4
109.07621	1.1
109.10139	1.6
110.06006	0.3
110.07169	0.5
111.09180	0.8
115.13338	0.3
117.07041	0.7
118.04181	0.5
119.01917	15.3
119.04932	44.9
119.08569	2.8
120.01964	0.5
120.05232	0.6
120.08082	0.9
121.06496	0.5
121.07626	1.0
121.10150	0.5
122.07162	2.2
123.04431	3.3
123.08045	1.7
123.09009	0.3
123.11691	0.3
124.08700	2.3
125.09493	1.1
129.06949	0.3
132.05688	0.5
133.02832	1.0
133.06450	0.7
137.02959	8.1
137.05962	3.6
137.09602	2.5
137.13237	0.3
138.03171	0.5
138.09138	0.6
138.10271	1.0
142.03487	11.5
142.04601	0.6
147.04398	100.0
147.08026	2.2
147.11673	0.7
148.04752	2.5
148.07664	0.4
148.08675	2.4
150.06682	0.4
160.04539	5.8
165.01825	0.8
165.05466	13.2
165.07739	0.6
165.09103	8.2
165.11368	3.1
165.12712	1.0
166.04913	0.3
166.08549	0.4
166.09804	0.3
183.02898	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53161	0.4
55.76042	0.4
62.74443	0.3
70.16928	1.1
70.17320	0.7
82.99850	0.6
98.20866	0.4
100.02467	1.4
101.00869	14.9
101.02551	0.7
102.00936	0.6
113.57496	0.4
118.03498	0.7
119.01913	100.0
120.01993	3.5
121.02323	0.5
124.02433	3.6
137.02950	36.2
138.03040	0.9
142.03490	70.6
143.03642	1.8
160.04550	27.0
161.04617	0.5
161.41478	0.4
162.13152	0.4
165.05067	3.1
171.45450	0.4
183.06078	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.23469	0.4
53.03943	1.7
55.05508	11.7
57.03440	0.7
57.07076	3.5
57.07294	0.5
57.42613	0.5
58.14385	0.6
65.03947	0.8
65.72913	0.5
67.05505	1.7
69.03428	3.6
69.07067	24.2
69.73660	4.0
77.03947	0.6
79.05486	13.0
80.50661	0.5
81.07045	5.3
83.08616	15.1
88.29031	0.5
89.03905	1.1
90.22856	0.5
91.05479	11.1
93.07040	31.9
94.07371	0.7
95.04961	4.4
95.06023	0.6
95.08595	5.4
96.51714	0.5
98.21532	0.8
100.02477	2.5
103.05462	8.6
105.03403	0.9
105.04556	0.7
105.07028	15.3
107.04946	3.5
107.08588	78.5
108.09375	2.0
109.06501	2.7
109.10164	2.1
117.07029	2.0
118.03500	2.9
119.08579	6.9
120.05697	0.6
121.10138	100.0
122.07166	1.1
122.10419	3.0
123.08038	3.7
130.07751	1.6
130.52635	0.5
131.04921	9.9
133.02878	3.1
133.10100	1.2
135.04395	4.7
135.08072	0.7
135.11688	20.2
136.07652	0.6
136.08731	0.7
136.12067	0.8
145.06499	1.5
145.10120	8.0
149.09329	0.7
163.03909	23.2
163.07542	5.5
163.09825	2.1
163.11168	22.1
163.14816	35.1
164.04318	1.1
164.11482	1.3
164.15204	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Clavukerin A
Peak:m/z	Relative Intensity
53.03947	2.1
55.05506	11.5
57.07073	5.5
67.05505	1.8
69.03419	2.8
69.07063	29.3
69.93932	2.0
69.94341	1.7
71.08630	1.1
74.67204	0.6
77.03913	0.6
77.04472	0.5
79.05489	11.5
81.07056	4.7
83.08619	13.3
91.05466	11.3
92.64214	0.6
93.07035	26.0
94.38252	0.6
94.56728	0.6
95.04980	4.7
95.06109	1.4
95.08591	6.3
100.02477	2.1
100.80964	0.6
103.05466	6.4
103.70139	0.7
105.03401	0.9
105.04539	0.8
105.07021	14.8
105.07674	1.1
106.07344	0.6
107.04958	3.0
107.08587	84.4
108.09473	3.3
109.06511	2.4
109.10151	2.7
117.03419	0.8
117.06985	1.3
118.03511	2.5
119.06084	0.9
119.08575	6.9
121.06520	4.0
121.10134	100.0
122.07125	1.0
122.10418	3.0
123.08055	3.4
128.02307	0.7
130.07764	1.0
131.04932	8.6
133.02829	3.1
133.07573	1.0
133.10139	1.0
134.10944	0.9
135.04402	6.1
135.08025	1.3
135.11685	22.8
145.06444	0.9
145.10117	2.8
163.03896	17.9
163.05191	1.0
163.06322	0.7
163.07513	4.8
163.09769	2.0
163.11137	10.6
163.14812	42.5
164.04347	0.8
164.15143	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Clavukerin A
Peak:m/z	Relative Intensity
53.03923	1.1
55.05509	5.1
57.07069	0.8
65.03910	0.7
67.05498	2.8
69.03428	0.5
69.07063	16.9
70.89413	0.9
77.51550	0.5
78.76460	0.4
79.05054	0.8
79.05486	11.1
79.62405	0.4
81.07053	20.6
83.08615	5.9
91.05468	8.3
93.07035	32.5
94.07358	1.2
95.04968	1.7
95.07979	0.9
95.08593	17.8
103.05460	1.7
105.07014	6.5
107.04935	2.1
107.08584	100.0
108.08911	3.0
109.06499	1.9
109.10128	1.3
117.07006	0.6
119.08568	2.2
121.06491	0.6
121.10131	33.0
123.08047	0.9
131.04929	2.2
135.04408	1.9
135.11676	14.2
145.10089	1.2
161.46497	0.4
163.03897	3.6
163.07565	1.4
163.11194	4.3
163.14812	54.6
164.15187	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	163.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.05508	5.1
57.07071	1.5
65.03933	0.7
67.05492	1.7
69.03443	1.3
69.07066	16.5
69.80819	3.3
79.05488	11.5
81.03431	0.6
81.07053	21.1
83.08613	4.5
85.02905	0.7
89.03916	0.6
91.05479	8.7
93.07037	31.3
94.07370	0.6
94.18526	0.5
95.04974	2.3
95.08601	17.7
100.02487	1.3
100.79316	0.4
103.05455	1.7
105.07014	7.3
107.04953	2.4
107.08589	100.0
108.08931	2.3
109.06497	2.7
109.10151	1.0
117.07002	1.7
118.03568	0.7
119.06039	1.0
119.08569	2.5
121.06496	1.3
121.10139	33.0
122.07159	1.1
122.10513	1.6
123.08051	1.1
131.04904	2.9
133.02846	1.0
133.34758	0.5
135.04417	3.5
135.08055	1.2
135.11679	16.4
136.07658	0.5
145.10098	2.4
163.03894	8.2
163.07526	2.4
163.09814	1.3
163.11177	8.7
163.14813	47.4
164.11504	0.7
164.15176	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.58657	0.3
53.03932	1.8
55.01866	0.8
55.05505	2.1
55.86979	0.4
56.96542	0.6
57.03443	0.7
57.07051	1.2
65.33032	0.3
67.05482	1.3
69.03423	11.1
69.07075	2.4
69.30146	3.8
69.30559	0.8
71.04973	1.1
74.58595	0.4
77.03928	0.5
79.05489	5.9
80.05020	0.4
81.03423	0.5
81.04527	0.5
81.07051	5.0
83.08596	0.6
85.02909	0.7
89.03885	0.6
89.06016	0.5
91.04958	0.6
91.05474	7.6
93.07038	45.0
94.07366	0.6
95.04961	4.6
95.06044	0.7
95.08586	1.6
96.06849	0.4
98.97603	0.6
100.02480	1.9
103.05458	9.7
105.03397	0.9
105.04527	0.8
105.07030	8.5
107.04950	5.9
107.08588	21.0
108.05510	0.5
108.08899	0.5
109.06527	0.5
115.05448	0.9
116.98594	0.7
117.03385	0.6
117.06995	3.4
118.03501	1.6
119.01807	0.6
119.08584	4.1
120.05611	0.6
121.02879	0.6
121.06512	3.9
121.10135	5.0
122.07145	0.9
122.09681	2.0
128.02321	0.6
128.22012	0.4
129.06955	0.4
130.07788	3.9
131.04921	11.1
133.02840	2.0
135.04417	6.5
135.08017	2.0
135.11690	9.1
136.07541	0.7
139.53078	0.4
143.08537	0.9
145.02863	0.4
145.06432	1.0
145.10117	27.3
146.10390	1.0
163.03899	17.7
163.07544	5.2
163.11165	100.0
163.14778	4.0
164.11690	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	162.076
Annotation	O-Acetyl-L-homoserine
Peak:m/z	Relative Intensity
53.03939	1.6
55.01871	3.4
55.05500	1.8
56.05034	8.3
56.96557	5.4
57.03435	11.6
58.06598	1.3
58.99584	0.8
59.04996	0.9
59.70064	0.5
60.04524	9.4
61.02927	4.6
67.01871	0.6
67.05505	0.8
69.03074	0.9
69.03426	12.7
70.06583	1.3
71.01317	0.8
71.02995	0.7
71.04977	1.4
71.59580	1.0
72.02839	1.6
72.04510	2.2
73.02903	2.9
74.06075	40.9
75.06406	0.7
77.65285	0.5
79.05487	2.9
79.52827	0.8
81.03409	3.9
81.07068	0.8
83.01324	0.9
83.04964	1.2
84.04504	8.1
85.02901	69.6
86.03246	1.0
87.04469	1.0
89.03927	0.6
90.05540	0.6
91.05454	1.4
93.02041	0.8
93.07021	0.7
95.04958	2.8
96.04488	0.6
97.02882	9.1
98.01244	0.8
98.03278	0.7
98.06052	7.3
98.97569	2.3
99.04451	2.8
100.02470	0.9
101.02397	2.9
102.02230	1.7
102.05536	15.8
102.96842	0.6
103.02449	0.9
103.03936	22.8
103.05424	1.1
105.02097	1.1
105.03386	0.8
105.07043	0.7
106.06566	0.7
106.07346	0.7
107.04939	2.0
107.08595	1.2
107.52340	0.7
109.02878	1.6
111.53066	0.6
113.02415	1.2
115.02383	0.8
115.03917	1.5
116.07086	100.0
116.10738	5.5
116.98600	1.8
117.02135	0.6
117.07463	0.8
118.03518	1.0
118.06531	1.2
119.01886	4.3
119.54501	0.6
120.02010	8.6
120.03285	2.4
120.06576	45.5
121.01652	6.0
123.03224	0.7
127.01524	0.8
127.03914	4.6
130.02188	2.0
131.01886	0.7
131.03418	1.6
131.04924	1.6
133.01973	0.7
133.02747	3.4
134.05991	1.2
134.99635	1.9
135.03317	1.2
135.04387	6.1
135.08102	1.2
137.02937	1.3
138.03047	5.7
139.01765	1.3
139.02708	4.4
142.03410	0.6
142.96544	0.6
143.03610	0.7
144.02182	1.0
144.03250	3.6
144.06548	5.2
145.01756	0.9
145.04913	1.2
145.06534	1.0
148.05196	1.0
149.01207	1.0
150.01778	1.2
157.03458	1.7
162.03204	1.2
162.04330	1.5
162.05510	4.9
162.07645	7.4
162.08977	1.2
162.11270	1.8
163.02567	1.6
163.03894	20.8
163.05193	1.4
163.07544	1.7
163.11134	1.0
167.05632	0.6
175.04559	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0761
Annotation	O-Acetyl-L-homoserine
Peak:m/z	Relative Intensity
50.31503	1.0
53.03926	2.8
55.01868	5.4
55.05510	2.6
56.05037	9.5
56.96565	5.9
57.03431	16.1
57.07054	1.2
58.02946	0.9
58.06591	1.0
58.99562	1.6
59.04952	0.8
60.04520	11.4
60.08136	0.8
61.02930	5.4
69.03075	1.3
69.03425	20.2
70.06580	2.6
71.01351	1.3
71.04971	2.1
71.58321	1.5
72.02846	2.5
72.04512	1.9
73.02909	5.4
74.06077	49.8
79.05484	3.0
81.03412	4.4
81.07062	0.9
83.04962	1.6
84.01530	0.9
84.04504	9.9
84.08131	1.3
85.02899	79.8
86.03207	0.9
86.06070	1.5
87.04465	1.3
89.03925	1.1
89.06019	1.0
91.05432	1.8
95.01331	1.0
95.04955	3.6
96.04442	1.1
97.02878	12.0
98.03254	0.9
98.06055	10.7
98.97571	2.5
99.04433	4.4
100.02470	1.0
101.02368	3.9
102.02225	2.8
102.05534	16.0
102.09116	2.4
103.03938	30.8
103.05429	2.8
105.03385	2.1
105.04454	0.9
105.07024	1.2
106.06528	1.8
107.04937	2.6
107.08543	1.6
109.02882	1.6
113.02375	2.4
114.02689	1.0
115.03926	1.2
116.01651	1.8
116.07085	100.0
116.10730	4.2
116.98689	1.8
117.05531	1.2
118.06528	1.9
119.01869	4.0
119.08565	1.2
120.01991	7.9
120.03265	3.7
120.06570	50.4
120.08923	1.4
121.01649	6.1
121.06460	1.1
127.03902	5.6
130.02139	1.5
130.04994	0.9
130.22003	1.0
130.52583	1.1
131.01823	1.2
131.04933	2.1
133.02800	4.3
134.03763	0.9
134.05998	3.6
134.08133	1.2
134.99631	3.3
135.03429	1.1
135.04413	6.5
137.02879	1.9
138.03065	4.6
139.01773	1.4
139.02718	3.2
139.53099	0.9
142.03505	0.9
142.31618	0.9
144.03232	3.3
144.06543	7.2
145.03842	1.3
145.04916	1.7
145.06491	1.4
149.01234	1.0
157.03439	2.4
162.03180	1.8
162.04343	2.4
162.05481	8.8
162.07658	10.1
162.08984	1.9
162.11266	4.2
162.12506	0.9
163.02538	1.9
163.03885	34.3
163.05202	2.3
163.07541	4.1
163.11157	3.3
180.04123	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.05509	10.2
57.07064	0.5
59.06123	0.6
64.51187	0.6
65.03953	0.6
67.05505	4.4
69.07063	12.5
71.03214	0.6
71.50031	0.7
71.50368	0.8
74.06053	0.8
75.30696	0.7
79.05494	9.7
81.07052	16.6
83.39384	0.6
91.05476	26.2
93.07036	15.6
94.07225	0.6
95.04965	2.0
95.08595	2.5
103.05462	2.7
105.07022	89.8
106.07330	1.5
107.08585	7.4
115.05466	1.6
116.04969	0.9
117.07010	6.2
118.04174	1.1
118.06539	3.9
119.08573	100.0
120.08928	2.2
121.06371	0.9
121.10091	2.9
128.06250	0.8
130.07777	0.7
131.08551	7.5
132.09293	1.7
133.06476	3.5
133.10121	49.5
134.10414	1.5
143.08551	1.5
145.10184	0.8
146.10886	3.7
159.11697	4.9
161.04756	0.5
161.05952	3.6
161.08224	1.2
161.09630	6.0
161.13246	84.4
162.05469	2.4
162.13576	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	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
52.97305	0.7
53.03939	2.6
55.01864	1.9
55.05512	9.8
67.05492	2.3
69.07063	9.6
70.04203	2.8
70.04615	1.2
79.05487	8.8
81.07056	9.1
91.05474	17.0
92.85616	0.7
93.07042	7.9
95.04963	2.7
95.08603	1.4
97.02886	1.0
98.20808	1.1
98.21402	1.9
103.05471	7.7
105.07025	83.3
106.07350	2.3
107.08604	3.7
107.25935	0.7
113.02322	0.8
115.04002	0.8
115.05444	5.1
117.07015	6.8
118.04147	5.8
118.07874	1.1
119.08575	95.7
120.05621	0.9
120.06578	1.1
120.08923	2.5
121.06396	2.6
121.10112	5.9
128.06218	2.0
130.07834	1.1
131.04880	2.2
131.08553	9.5
133.06506	11.7
133.10121	54.8
134.07036	1.3
134.10490	1.9
143.08540	2.6
145.10115	1.8
146.03630	2.9
146.07257	2.9
146.10902	4.1
159.11671	5.2
160.08325	0.8
161.04616	1.4
161.05981	27.5
161.08157	1.7
161.09607	18.9
161.13246	100.0
162.05302	1.0
162.06459	1.3
162.10034	1.2
162.13609	3.2
165.66241	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.31434	0.1
53.03942	0.4
55.01879	0.2
55.05509	5.6
56.53066	0.1
60.56783	0.1
62.06088	0.2
65.03950	0.2
67.05502	0.2
69.03455	0.2
69.07069	1.6
69.28745	0.1
71.19337	0.5
77.03906	0.2
79.05488	1.0
81.07055	0.5
87.05598	0.1
91.05474	5.6
92.05842	0.2
93.07036	0.9
95.04984	0.3
98.84842	0.2
103.05472	1.1
104.06241	0.5
105.07025	11.5
106.07363	0.2
107.08588	1.0
115.05466	0.5
117.07011	2.2
118.04185	0.2
119.08575	100.0
120.05549	0.2
120.08890	2.3
121.06374	0.4
121.10139	2.2
131.08527	1.3
132.09331	0.1
133.06491	1.1
133.10121	12.3
134.10454	0.4
139.95990	0.2
142.25841	0.2
143.08514	0.3
146.10915	0.5
159.11723	0.4
161.05986	0.8
161.09599	1.3
161.13245	14.7
162.13570	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03943	1.7
55.01871	3.7
55.05505	1.1
56.96568	0.6
62.29862	0.4
65.03924	0.7
65.85788	0.4
66.04711	0.9
67.05505	1.5
69.03421	0.5
69.07055	1.5
71.60583	0.7
72.22035	0.4
73.02897	0.4
74.06049	0.5
79.05488	13.6
80.05836	0.5
81.03419	0.5
81.07059	3.6
87.05574	0.6
89.03959	0.6
89.43671	0.4
90.04707	2.4
91.05473	8.5
92.02615	0.4
93.04524	0.5
93.07026	2.0
95.04964	4.4
95.08636	0.6
95.85792	0.4
102.04662	0.6
102.95828	0.4
103.05466	20.3
105.07025	100.0
106.07353	2.4
107.04941	1.0
107.08583	0.5
115.05451	22.7
116.05784	0.7
117.07014	1.4
118.04156	15.4
119.08574	15.5
120.05571	0.4
121.06422	1.0
121.10148	0.8
131.04927	4.9
131.08537	1.4
131.75293	0.4
132.05679	1.2
132.09343	0.5
133.06483	51.3
133.10123	11.0
134.06885	1.8
143.04976	0.6
143.06017	3.7
143.08537	1.2
146.03589	2.0
146.07301	1.1
159.11722	0.4
161.05974	17.2
161.08180	1.1
161.09590	9.5
161.13263	16.2
162.05472	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0596
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.08400	0.4
53.03939	2.0
55.01871	5.3
59.06133	0.6
65.03910	0.6
65.14842	0.3
66.04718	1.4
68.61210	0.4
69.77955	0.7
69.78369	2.0
70.91808	0.4
74.06091	0.6
77.03919	0.6
79.05489	18.8
86.06035	0.4
89.03908	0.6
90.04691	2.6
90.05942	0.4
91.05470	5.5
92.02598	0.5
93.07054	0.7
95.04968	4.3
97.02876	0.7
102.04705	0.7
102.05515	0.5
103.05465	20.7
104.05740	0.5
105.07027	100.0
106.07345	3.1
107.04943	1.4
113.07036	0.5
115.05447	29.6
116.05775	1.0
118.04160	17.0
119.08574	3.4
120.05601	0.7
120.06593	0.4
121.06378	1.3
128.06216	0.6
129.22308	0.4
131.04938	4.5
132.05690	0.9
133.06487	61.2
133.10094	2.8
134.06006	0.4
134.06892	2.4
143.04910	2.7
143.06042	3.7
143.08522	0.6
146.03690	0.7
146.07253	0.6
146.13680	0.4
149.06020	0.6
161.05980	21.4
161.08116	1.3
161.09587	4.2
161.13196	2.6
162.05405	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0596
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
52.90345	0.3
53.03941	1.6
53.43252	0.3
54.03470	0.4
55.01866	4.1
59.06126	0.6
60.26900	0.3
60.85349	0.4
61.90327	0.4
65.03927	0.9
66.04722	0.7
69.03445	0.6
69.59177	2.8
69.76808	0.4
73.02891	0.4
73.06547	0.6
74.06094	0.6
74.20348	0.3
77.03905	0.5
79.05488	17.3
80.05754	0.3
81.07042	0.6
87.05589	0.3
89.03908	0.9
90.04685	2.5
91.05481	5.0
92.02649	0.4
92.65732	0.4
93.04507	0.5
93.60909	0.3
95.04967	4.1
97.02882	0.4
102.04710	0.5
103.05465	19.6
104.05812	0.6
105.03396	0.8
105.07024	100.0
106.07375	2.1
107.04955	0.9
113.02319	0.5
115.05447	28.5
116.05771	1.4
116.07130	0.4
117.07014	0.7
118.04157	16.5
119.01759	0.4
119.04475	0.6
119.08588	3.8
120.05625	0.7
120.06513	0.4
121.06406	0.9
121.08893	0.4
131.04913	4.1
132.05667	0.9
133.06487	59.2
133.10164	2.6
134.06860	1.8
143.04918	2.2
143.06035	4.6
143.08537	0.9
146.03549	0.6
161.05975	22.4
161.08081	2.0
161.09608	4.7
161.10794	0.6
161.13254	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	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02388	0.5
53.03942	1.7
55.01870	4.2
55.05507	0.4
59.06121	0.8
63.95621	0.3
66.04713	1.1
67.49576	0.3
69.03437	0.6
69.07072	0.5
69.70226	2.3
79.05487	16.9
86.06078	0.4
87.05627	0.4
89.03923	0.5
90.04696	2.4
91.05479	5.6
91.06007	0.5
91.54685	0.3
92.02614	0.4
93.07049	0.6
95.04961	4.1
97.02898	0.9
101.07121	0.4
102.04658	0.3
103.05461	21.3
103.46294	0.3
104.05793	0.5
105.03381	0.8
105.07025	100.0
106.07336	2.5
107.04964	1.3
113.02376	0.6
115.05451	26.5
116.05782	0.8
116.07133	0.3
117.07031	1.2
118.04155	16.9
118.77087	0.4
119.01933	0.4
119.08572	5.8
120.05584	0.8
120.06548	0.5
120.08093	0.4
121.06393	1.2
128.06250	0.6
131.04924	4.7
131.08568	0.4
131.41156	0.3
132.05684	1.3
133.06485	59.6
133.10075	2.7
134.03654	0.7
134.06821	2.2
143.04910	1.1
143.06039	4.7
143.07051	0.5
143.08553	0.9
146.03629	1.1
146.07317	0.9
150.59186	0.4
161.05974	16.5
161.08214	1.3
161.09552	4.2
161.13243	3.3
162.05507	1.2
162.09129	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0596
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02389	0.5
51.72211	0.3
53.03939	2.1
55.01871	4.4
59.06122	0.4
62.39640	0.4
65.03919	0.6
66.04718	1.0
69.69235	0.4
70.00436	2.0
77.03945	0.4
78.65310	0.5
79.05485	16.5
80.05820	0.5
84.48805	0.4
89.03880	0.8
90.04691	3.2
91.05466	4.3
92.02628	0.9
95.04954	4.1
97.82961	0.4
98.20861	0.5
103.05459	22.8
104.05782	0.6
104.64838	0.4
105.07019	100.0
106.07359	2.4
107.04953	0.8
115.05441	24.9
116.05800	0.7
118.04145	17.6
119.08569	0.7
131.04915	4.6
132.05707	0.9
133.06477	56.1
134.06824	1.7
143.04993	0.7
143.06029	4.9
144.08063	0.6
149.06052	0.4
161.05968	13.8
161.09570	0.8
161.13251	0.6
173.80637	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23013	1.6
55.01856	7.8
55.05500	6.7
56.05018	6.3
56.96323	2.4
56.96562	23.8
57.03437	14.9
57.07075	13.3
58.06588	4.2
59.04992	4.6
59.06113	15.0
60.04515	13.4
60.55803	1.6
60.95837	2.2
61.02916	3.4
65.03909	3.2
67.05499	19.7
68.05019	3.1
69.03424	16.7
69.07066	3.8
69.51221	14.7
70.06595	10.6
71.01358	2.3
71.04972	2.8
71.07365	2.5
72.04494	6.7
72.06909	1.9
72.08144	5.1
73.02916	10.0
73.73312	1.7
74.06065	9.9
74.97588	1.9
75.04471	1.6
75.05586	2.6
76.04005	2.5
79.05476	7.9
81.03404	2.6
81.07030	5.0
82.06556	4.0
83.01296	1.7
83.04972	4.9
83.06086	4.9
84.04480	9.1
84.08143	4.6
84.96024	1.7
85.02898	17.1
85.06551	9.0
85.07655	4.2
86.06063	12.0
87.04449	5.8
87.05576	3.1
88.02212	2.2
88.07606	2.9
90.82083	1.8
91.05466	8.8
93.07025	4.0
95.04980	1.6
95.06076	2.5
96.04453	2.0
97.02892	21.7
97.06512	2.6
97.07642	2.9
98.03178	2.0
98.06042	6.4
98.21507	1.7
98.67464	1.5
98.97586	33.0
99.04440	2.2
99.05574	2.8
99.06847	2.4
100.03960	2.2
100.07595	2.1
100.54907	1.8
101.00894	2.7
101.02356	5.6
101.07144	7.3
102.05563	11.9
102.06138	2.1
102.96873	2.3
103.03909	3.1
103.05444	4.0
105.03378	1.8
105.07030	32.6
107.05051	2.6
110.06027	2.5
113.02361	20.5
113.07138	2.6
114.05508	3.5
114.12772	2.3
115.03915	3.6
115.05429	5.9
115.08652	2.3
115.12442	2.8
115.13130	15.1
116.05025	2.2
116.05820	2.0
116.07087	3.6
116.98610	37.4
117.05484	3.4
117.07000	3.2
118.98185	2.0
119.01907	57.5
119.08563	13.0
120.02027	6.6
120.04482	2.5
120.05598	3.3
120.06538	4.9
120.97939	2.6
121.06402	4.4
121.80354	1.6
125.02377	2.4
127.01542	3.8
127.03882	2.3
128.02339	2.4
128.06235	2.8
128.07085	6.5
128.09444	1.9
128.98578	2.1
131.08220	2.4
133.06485	12.4
133.08479	1.7
133.10121	11.5
134.05998	1.8
134.07071	4.4
134.99657	29.4
137.02946	34.5
137.97060	3.2
138.03055	3.7
138.98958	7.1
139.01823	2.5
140.00168	2.1
142.03470	2.9
143.01851	2.3
143.03464	6.3
143.08231	3.9
144.06557	4.8
144.10201	3.4
145.04977	1.8
146.03577	2.5
146.07257	3.0
146.99670	4.4
152.04120	2.5
153.00674	5.1
158.01274	2.5
158.99632	15.8
159.03296	9.5
161.02972	9.9
161.04625	25.5
161.05980	13.6
161.07069	2.9
161.08099	4.2
161.09477	35.6
161.13373	13.8
162.00613	1.9
162.05495	100.0
162.07631	4.0
170.05151	4.8
172.55472	2.9
177.00708	31.3
177.04327	5.9
179.03952	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	161.0294
Annotation	Unknow
Peak:m/z	Relative Intensity
60.96177	0.2
67.05505	0.2
71.33545	0.4
80.58205	0.2
81.00107	0.2
82.99831	0.5
83.04957	0.3
85.02878	0.2
100.02478	0.6
101.00867	11.0
102.00953	1.3
103.00627	0.3
103.02423	0.7
107.05273	0.9
109.02885	0.2
111.04440	1.3
116.05772	3.1
116.55820	0.4
118.03516	0.8
119.01912	100.0
120.02009	9.1
120.03232	0.3
120.97897	0.3
121.01649	1.5
121.03485	0.6
124.02379	0.3
125.06281	0.3
127.56564	0.6
129.04710	0.4
133.03430	0.2
136.04527	0.2
137.02945	51.2
138.03058	4.2
139.02602	0.5
139.03523	0.3
142.03473	3.8
143.01878	0.5
143.03650	5.2
144.03223	1.4
147.05022	0.4
160.04512	1.3
161.02946	4.9
161.04660	3.4
161.09486	0.3
162.03078	0.4
162.04277	1.6
165.06039	0.3
166.05119	0.2
177.01064	0.2
179.03990	9.7
179.05576	1.5
180.04109	0.6
180.05464	0.4
184.04422	0.3
184.05968	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0812
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
55.01868	3.3
56.04994	1.7
56.96563	7.5
57.03396	1.4
57.04544	0.7
57.07054	0.8
57.30356	0.4
57.93516	0.4
58.06593	0.6
59.06125	3.8
60.04486	2.1
62.39859	0.4
67.05479	0.5
68.04996	1.6
69.07064	3.9
69.84896	0.6
70.04147	1.8
70.06589	45.1
71.04961	0.9
71.06083	0.8
71.06897	0.8
71.95261	1.0
72.04494	1.3
72.08119	1.0
72.59641	0.4
73.02864	0.5
73.04002	0.5
73.79948	0.7
75.05576	1.1
81.03394	0.6
81.04503	0.8
81.05747	0.8
83.06110	2.4
84.04510	5.1
84.08131	1.0
85.02879	0.5
85.07656	1.1
86.06055	0.8
87.05587	8.0
87.10082	0.5
94.06561	16.0
95.06071	1.6
95.07343	5.1
95.08603	0.6
96.04485	19.4
96.07567	0.5
96.08126	6.8
97.02843	0.6
97.07645	0.8
98.06053	12.8
98.07145	1.8
98.20826	0.6
98.97579	34.5
99.05576	3.0
100.07646	0.9
101.07114	0.8
102.05494	1.2
102.09168	1.1
110.06068	0.6
111.05580	0.5
111.34572	0.4
112.07600	21.1
112.55719	1.1
113.07134	1.0
114.04716	1.0
114.05520	19.9
116.07088	9.7
116.97225	1.8
116.98614	42.5
118.04945	0.5
119.07288	0.7
122.06004	4.6
123.05529	0.6
127.01344	0.5
130.06525	1.2
134.99655	38.1
135.96974	0.5
138.05505	1.9
140.00192	1.2
140.07059	100.0
141.01814	1.2
141.06503	1.0
141.07417	1.7
141.10243	1.1
152.96875	1.0
153.00697	9.1
158.01292	3.1
158.08138	40.6
158.09560	7.1
158.15460	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0812
Annotation	UNII-218WD6K9H0
Peak:m/z	Relative Intensity
54.62893	0.2
55.01872	1.1
55.05505	0.7
56.05021	0.7
56.96558	10.3
57.03433	4.7
57.07071	0.3
58.06591	1.4
59.04992	0.7
60.75421	0.2
61.02924	1.0
67.05500	0.9
68.02636	0.4
68.05018	0.5
69.03416	2.4
69.07056	0.9
70.03740	0.3
70.04079	0.8
70.06584	100.0
70.98111	0.3
71.01330	0.4
71.04990	0.9
71.06911	1.3
71.40241	0.5
71.95254	0.6
72.08149	0.4
73.02915	1.5
74.06054	0.5
74.83054	0.2
74.97592	0.4
75.04494	0.6
81.03402	0.7
81.07052	0.4
82.06583	0.4
83.04978	0.5
83.06096	0.8
84.04494	0.8
84.08132	0.9
84.96030	0.5
85.02895	2.1
85.06535	0.3
85.07652	0.4
86.06072	0.6
86.52712	0.4
87.04478	0.3
87.05565	0.4
88.03996	0.3
88.07619	0.2
88.99105	0.4
90.01540	0.4
93.01954	0.3
94.02658	0.4
94.06557	1.2
95.04987	0.4
95.07352	0.3
95.08602	0.6
95.53204	0.4
96.01525	1.3
96.04461	1.3
96.08118	0.7
97.00500	0.5
97.02881	2.9
97.06531	0.4
97.99191	0.3
98.01286	0.5
98.06055	2.7
98.09709	0.3
98.97575	15.4
99.02048	0.3
99.04450	0.8
100.02473	0.8
100.07613	0.8
100.08743	0.3
101.00784	0.6
102.09167	0.8
103.02317	0.5
103.03126	0.3
104.01285	0.5
105.02048	0.8
107.01812	0.3
109.02858	0.7
110.01273	2.4
110.97578	0.3
111.02067	0.6
111.02876	0.3
111.05543	0.3
111.09202	0.9
112.07594	43.5
113.01699	0.5
113.02416	0.6
113.04010	0.3
113.07182	0.4
113.07914	1.0
114.05514	1.8
115.03966	0.3
115.08655	0.5
116.00226	0.3
116.07079	18.9
116.98606	18.7
117.02041	0.5
117.02881	0.5
117.07421	0.4
118.03495	0.9
119.01809	8.1
119.51974	0.4
121.01654	2.4
121.52046	0.4
122.05980	0.8
126.02539	0.9
126.03398	0.5
127.00280	0.5
127.03899	0.7
128.02307	5.7
128.10672	0.7
128.11815	0.2
128.52484	0.4
128.53711	0.3
128.98575	0.7
130.06519	0.6
130.08600	0.4
130.52567	1.1
131.00191	0.6
134.99646	18.6
135.03061	4.6
135.04031	0.4
135.50320	0.2
137.02882	1.2
137.54178	0.4
139.02686	0.9
139.53072	0.5
140.00192	1.1
140.07050	10.3
141.01831	1.8
141.10175	0.6
142.03497	0.6
143.00146	0.3
143.01868	0.6
144.03450	1.8
146.53824	0.6
146.99620	0.7
149.01172	0.9
149.06596	0.3
153.00697	4.3
158.01248	1.9
158.05943	0.5
158.08090	8.4
158.09550	6.4
158.11676	2.0
158.12894	0.6
158.15387	2.5
159.01646	0.4
159.02933	0.7
159.11613	0.5
161.01202	0.6
161.02930	0.6
162.04276	0.4
162.99055	0.3
173.01215	0.3
176.02251	0.5
176.04001	0.4
177.00667	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.5
55.05503	5.2
56.05032	4.4
56.96287	3.1
56.96562	42.5
57.03179	2.6
57.03434	23.8
58.06593	7.3
58.99864	2.6
59.04995	4.0
60.04515	3.8
61.02926	13.2
65.03940	2.8
67.05496	5.9
68.05018	4.6
68.05852	2.6
69.03436	16.5
69.07054	2.5
70.02936	1.7
70.04092	2.1
70.06592	33.7
71.01351	3.3
71.05006	5.4
71.58038	2.7
71.95282	2.5
72.04553	1.7
72.08151	3.3
73.02914	21.1
74.06071	5.5
74.97585	2.7
75.04476	2.0
77.00877	1.9
78.52963	2.8
79.05486	3.1
81.01891	2.1
81.03423	4.8
81.04543	5.1
81.07089	2.8
82.05305	1.9
82.06561	2.3
83.00752	1.8
83.04987	7.1
83.06107	3.6
84.04501	3.7
84.05309	3.5
84.08144	3.5
84.96040	3.5
85.02901	16.0
85.06568	2.0
86.06068	3.9
86.52705	4.0
87.01891	3.8
87.04465	2.7
88.99191	1.9
89.00806	3.0
90.01546	2.1
90.38772	1.8
91.53861	1.7
92.01320	3.2
92.52700	4.7
93.03443	1.8
94.02661	10.1
94.06557	3.7
94.51580	1.6
95.04955	6.0
95.06087	10.0
95.08602	4.0
95.53236	5.0
96.01543	3.1
96.02418	4.6
96.05294	7.4
96.08153	2.0
97.00542	2.1
97.02872	22.3
97.06558	3.1
97.07652	4.2
97.99228	2.1
98.06047	12.1
98.52685	1.9
98.97583	68.8
99.01910	2.1
99.04465	4.1
99.53445	3.1
100.02486	12.1
100.07588	2.0
100.54305	2.0
101.00880	6.6
101.02585	2.0
101.53191	3.1
102.02385	6.1
102.09193	2.9
102.51743	2.0
103.02430	2.3
103.03196	10.3
104.01313	2.7
105.02073	4.7
105.02887	2.7
105.53455	4.9
107.53200	1.9
108.02391	11.1
108.52428	2.0
109.02905	4.6
109.67234	1.7
110.01274	9.4
110.06030	3.2
110.07191	1.9
110.52715	1.5
110.97543	1.9
111.02094	3.9
111.02914	3.3
111.04449	3.3
111.05557	18.0
111.09145	1.8
112.04757	4.0
112.05927	2.7
112.07626	10.5
112.08735	8.3
113.02394	2.4
113.07148	5.2
114.02507	2.1
114.05550	6.4
114.53996	4.5
115.02425	2.3
115.03179	2.2
115.03984	1.7
116.07103	5.2
116.98617	92.5
117.02138	3.7
117.02909	17.2
117.53069	4.3
117.98930	2.0
118.03545	14.3
119.01868	64.4
119.51965	2.4
119.53201	4.5
120.01974	3.3
120.03343	2.2
121.01694	4.6
121.52123	1.7
122.52858	1.8
123.02986	1.9
123.05547	21.3
123.54510	6.4
126.02557	4.0
126.03390	17.9
126.53487	1.7
127.03958	2.0
128.02312	19.6
128.10747	2.2
128.53708	6.4
128.98537	1.9
129.03954	1.9
130.52568	4.3
131.01889	17.6
132.02068	3.0
132.05049	2.4
133.01634	3.4
133.03465	4.0
134.02936	2.6
134.99654	100.0
135.03105	17.5
135.03987	8.1
135.04913	3.2
137.02914	11.1
137.54211	5.7
138.03156	1.6
138.04190	1.8
140.00139	3.3
140.07108	7.9
140.08080	2.1
140.10721	3.7
141.01866	6.3
141.06581	15.8
141.10136	2.1
142.03513	11.6
143.01935	10.5
144.03586	6.7
145.03461	5.5
146.54785	4.9
146.99658	5.7
147.01395	2.5
147.05006	3.0
149.01219	3.3
149.02936	3.5
149.04948	1.9
153.00711	20.7
153.04179	2.2
154.03490	4.5
155.01945	3.5
157.03400	3.2
158.01208	9.1
158.03969	1.8
158.05632	2.3
158.08093	8.0
158.09442	28.3
158.11739	14.0
158.12880	3.0
158.15405	10.3
159.05032	1.9
159.07646	3.5
160.04549	2.6
161.01598	2.2
161.02959	20.5
162.03053	3.4
169.03513	1.7
173.03006	5.6
174.06117	2.0
176.02342	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	157.1587
Annotation	beta-Citronellol
Peak:m/z	Relative Intensity
53.00307	1.3
53.03942	2.0
55.01855	1.0
55.05508	90.6
56.05843	2.0
56.96564	15.2
57.03429	1.0
57.07073	37.3
59.04996	44.5
59.06107	1.2
67.05490	2.7
69.03418	2.1
69.07063	100.0
69.34447	6.3
69.34866	1.8
70.06590	14.2
70.07404	2.1
71.04976	0.8
71.08627	28.8
72.04499	1.3
73.06547	12.7
74.93829	9.6
79.05482	1.4
81.07058	1.7
83.04986	2.5
83.08613	81.5
84.04529	1.1
84.08150	1.3
84.08935	2.7
86.06029	1.0
87.05581	2.6
87.08115	0.9
90.28101	0.9
92.94861	2.8
93.07040	2.0
95.04963	2.0
95.08614	1.4
97.02878	2.8
97.06528	4.3
97.10159	13.6
97.99162	1.5
98.06059	2.0
98.07182	1.3
98.21593	1.0
98.97578	5.3
99.05587	2.0
100.07611	0.9
101.10954	0.9
102.09166	1.7
111.04438	2.4
111.08070	2.6
111.11710	1.1
112.07608	8.1
115.11295	0.9
115.96425	10.3
116.00231	2.5
116.07089	3.2
116.97224	1.1
116.98624	7.8
121.10155	0.9
128.06204	1.2
129.06999	4.9
130.06575	1.2
130.08641	1.3
133.97467	8.7
134.99649	14.8
139.03903	1.7
139.07526	1.2
139.11162	1.0
140.03522	0.8
140.07072	1.5
141.06996	1.9
142.07787	13.9
151.96951	1.0
153.00699	3.0
156.99086	1.3
157.01337	3.0
157.04993	2.3
157.06456	1.9
157.08702	1.9
157.10089	14.2
157.15834	1.6
158.01202	1.8
158.06100	1.7
158.08142	5.0
158.09647	17.2
158.11710	0.8
158.15390	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	157.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.7
53.03942	2.4
55.01867	2.8
55.05505	100.0
56.96299	2.0
56.96560	30.1
57.03413	2.1
57.07069	40.9
58.06595	1.5
59.04702	2.9
59.04993	46.6
59.06108	2.5
61.02907	1.3
67.05491	3.9
67.11156	1.4
68.05013	1.9
69.03415	3.7
69.07060	99.5
69.91027	5.4
69.91455	3.2
70.06584	36.7
70.16789	1.3
71.04971	2.6
71.08624	25.4
72.04512	2.5
73.04015	2.3
73.06164	2.2
73.06544	32.3
74.93821	22.0
77.37859	1.3
79.05485	3.7
81.07047	3.3
83.04962	7.3
83.08607	81.3
84.04485	2.3
84.08146	2.3
86.84604	1.3
87.05569	3.5
87.08090	2.9
90.95975	1.3
92.94864	8.5
93.07021	5.6
95.04957	6.3
95.08585	2.9
97.02861	3.9
97.06503	9.2
97.10157	18.5
97.99143	2.6
98.06050	6.3
98.20812	1.6
98.97577	11.1
99.04426	2.3
99.05562	5.1
102.09187	2.1
110.95855	1.6
111.04418	6.0
111.08073	4.5
111.11692	1.4
112.07597	24.1
114.10254	2.5
115.05405	1.6
115.11199	1.8
115.96428	19.9
116.00193	2.8
116.07079	7.9
116.08193	1.9
116.97203	4.0
116.98607	21.1
121.10107	2.7
128.06210	4.8
129.01790	1.4
129.06993	11.0
130.06531	2.4
133.53154	1.6
133.97441	24.5
134.99641	33.3
139.03859	2.7
139.07538	2.9
139.11116	2.6
140.00194	1.8
140.07048	6.9
141.06998	2.6
142.07755	36.0
150.94263	1.5
153.00670	8.3
156.99049	5.2
157.01282	8.7
157.04919	3.6
157.06415	5.1
157.07576	3.2
157.10078	28.2
158.01247	5.6
158.05962	3.3
158.08131	8.2
158.09628	41.5
158.15376	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	155.1429
Annotation	4,6-Dimethyl-4-octen-3-one
Peak:m/z	Relative Intensity
53.03939	0.7
55.01869	1.0
55.05505	6.7
55.93536	0.6
56.05032	1.0
57.03425	3.0
57.07070	100.0
58.07409	2.1
59.04989	1.2
59.06117	1.0
65.03944	1.1
65.39299	0.5
66.98821	0.5
67.05502	12.8
68.05028	0.9
69.03425	1.5
69.04534	0.8
69.07057	4.5
69.60847	2.8
69.61260	0.9
70.95860	2.5
71.04985	4.0
71.06109	0.5
71.08636	1.7
72.04511	0.8
72.08149	0.6
72.93781	33.1
73.06526	0.6
79.05499	2.2
81.03406	1.1
81.04527	0.6
81.07052	19.9
82.06590	0.9
82.07386	0.7
83.04986	2.3
83.08620	1.4
84.04536	0.5
85.06534	33.7
88.96903	1.1
90.94817	8.4
91.05486	0.8
93.07065	0.9
95.04967	3.6
95.08598	14.6
96.05624	0.9
97.04038	0.7
97.06515	2.6
97.10189	2.2
98.07183	1.5
98.20742	0.9
98.98482	0.7
99.04472	2.4
99.08084	4.1
108.95871	2.3
109.02890	2.2
109.06505	15.6
109.07656	1.1
109.10149	11.2
110.02369	0.6
110.06042	1.3
110.07169	1.6
111.04475	2.4
111.05601	1.0
111.08094	1.1
111.98503	1.6
112.08733	1.5
113.06023	1.9
113.07071	0.6
113.08276	0.8
113.96389	20.1
114.06680	2.3
121.01568	0.8
121.19741	0.5
123.04426	1.1
127.03883	2.4
127.07666	0.7
127.08618	0.5
129.99542	0.9
131.97421	22.5
132.95857	2.5
137.02357	0.9
137.05975	4.3
137.09651	2.0
137.13243	4.5
138.05559	1.0
138.06656	1.5
139.08812	0.6
139.19733	0.5
141.07047	2.0
149.98486	0.5
150.96883	6.8
154.99095	2.0
155.02318	0.6
155.03410	2.7
155.07053	7.0
155.08212	1.2
155.09352	1.2
155.10684	1.0
155.13052	0.8
155.14294	11.6
156.02881	0.7
156.07703	0.9
156.09377	1.7
165.23834	0.5
173.98543	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98639	0.6
55.01859	0.9
55.05498	2.0
55.25799	0.4
56.05037	1.3
56.53154	0.3
56.96560	17.5
57.03428	0.8
57.04562	0.3
57.93549	0.7
58.01462	1.5
58.99863	0.9
59.06120	2.1
60.04523	0.8
65.57640	0.3
67.05497	1.2
68.05004	0.6
69.03417	1.4
69.04524	0.4
69.07058	1.6
69.27396	0.4
70.06576	1.1
70.95846	0.9
71.59733	0.5
71.95256	1.7
71.95897	0.5
72.04510	0.7
72.93784	0.8
74.06092	0.9
74.93835	4.9
74.97605	0.4
75.05592	0.4
76.02493	0.8
77.00906	1.9
77.84805	0.4
78.69809	0.4
79.05486	1.1
81.03429	0.6
81.04527	0.6
81.07042	0.9
82.01432	0.4
83.04975	1.6
83.06087	2.4
83.08593	0.6
84.04490	1.1
84.08154	0.6
84.51768	0.3
85.02882	0.4
86.06057	0.4
87.05581	2.9
87.50048	0.4
91.05474	1.1
92.94856	1.6
93.07056	1.1
95.01939	1.5
95.04979	0.7
95.06042	0.4
95.08582	0.7
96.04466	0.5
96.50568	1.0
97.02895	1.3
97.03951	0.4
97.06523	1.6
97.07641	0.8
97.10169	0.8
98.00890	0.4
98.02473	0.5
98.06044	0.8
98.07164	1.1
98.97576	61.4
99.05558	0.8
99.08094	0.4
100.02471	7.3
101.00883	1.4
101.02571	0.6
101.07085	0.4
102.02235	0.5
103.02445	0.8
103.05463	0.5
105.07008	1.4
105.51085	0.6
109.07713	0.4
111.04433	1.3
111.05562	2.8
111.08065	0.7
112.07603	0.7
113.07153	0.7
115.96426	5.5
116.00218	1.4
116.01948	9.6
116.03673	0.7
116.97229	3.3
116.98610	84.2
117.03938	0.9
117.07011	0.8
118.03512	18.3
118.06302	0.4
119.01913	15.7
119.03660	0.7
121.01634	1.0
121.10162	0.5
129.06963	1.4
129.99500	0.4
130.03432	0.4
130.04977	0.5
131.01869	0.4
131.05443	0.5
131.07045	0.6
131.08545	0.9
132.04999	0.8
132.49800	0.9
132.95802	0.4
133.01608	0.6
133.03525	2.5
133.04425	0.6
133.05298	0.8
133.96030	0.4
133.96504	0.4
133.97470	3.9
134.02979	86.8
134.04710	4.4
134.99646	100.0
135.03125	4.9
135.05009	1.2
136.04535	9.1
136.06218	0.8
137.02951	9.5
137.03960	0.5
137.04900	0.4
139.03493	3.4
139.05859	0.4
140.00192	3.3
141.05070	0.9
141.06593	0.6
141.50229	2.1
142.03493	2.0
142.07759	2.2
143.08405	0.6
145.03477	0.4
145.06767	4.2
145.10106	1.5
145.56882	1.5
145.58490	0.4
146.06633	0.6
148.96155	0.6
149.06543	1.1
150.06113	0.4
150.96864	1.5
151.04535	0.8
151.06227	0.5
151.97023	2.6
152.02216	0.8
152.04019	20.5
152.05748	2.0
152.96875	1.1
153.00705	25.5
153.04095	1.7
154.07300	2.8
154.57362	1.0
156.57660	0.4
157.01317	0.6
157.04579	24.5
157.06165	1.3
157.07666	1.2
157.10086	1.6
158.01257	6.6
158.02826	2.4
158.04710	1.7
158.08180	0.5
158.09558	2.6
159.06119	0.5
159.08047	0.6
160.04573	0.7
161.03015	0.4
173.09613	0.7
175.04387	0.8
175.05653	4.8
176.02267	1.8
176.04021	4.5
176.05507	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
54.03459	1.2
54.93836	1.0
55.01866	9.0
55.05505	8.8
55.93519	2.0
56.05033	5.9
56.96560	25.9
57.03431	8.4
57.04549	1.1
57.07076	1.6
58.06586	1.8
58.99855	3.3
59.04980	1.3
59.06113	2.6
60.02131	0.6
60.04516	1.8
61.02926	3.3
65.03923	2.7
66.03453	2.5
67.01846	1.0
67.05497	15.6
68.02641	1.7
68.05026	3.0
68.99768	1.4
69.03420	17.2
69.04543	2.5
69.07059	1.9
69.96169	10.0
70.06580	2.8
70.95858	27.3
71.01350	1.9
71.04990	5.8
71.06102	2.1
71.60119	0.7
71.94088	4.0
72.04508	1.8
72.08141	1.9
72.93781	100.0
73.02544	0.8
73.02913	7.2
73.06558	1.4
73.93831	0.9
73.94531	0.7
74.04829	1.2
74.06089	1.3
74.97607	1.4
77.00901	5.0
78.00938	1.1
79.05483	1.5
80.04975	1.3
81.03410	19.8
81.04518	2.7
81.07045	8.9
82.06573	5.0
83.01324	1.0
83.04973	8.7
83.06081	4.7
83.97628	0.9
84.04496	26.8
84.08120	2.1
85.02898	13.4
85.04016	0.9
85.06529	2.0
86.00921	0.8
86.06063	1.7
87.04459	1.2
87.05585	0.8
87.97212	1.0
88.02668	2.0
88.07602	0.8
88.96894	11.4
89.00826	1.3
89.53233	0.7
89.95102	0.8
90.94815	32.8
91.00523	3.6
91.05450	1.2
92.05801	0.8
93.01902	1.0
93.03352	0.8
93.04528	0.7
93.07041	1.5
94.06550	0.9
95.01327	1.3
95.01929	1.7
95.04951	7.9
95.06074	2.9
95.08582	5.2
96.04498	1.5
96.05587	2.3
97.02877	27.1
97.03988	2.6
97.06458	2.0
97.07649	1.9
98.03207	0.8
98.06017	1.3
98.07159	2.2
98.09725	0.8
98.97555	3.5
98.98467	5.3
99.04442	7.8
99.05550	2.3
99.53448	2.6
100.01028	0.9
100.02459	2.4
100.03993	0.7
101.00863	2.7
101.53199	6.1
102.02390	3.0
102.03223	1.4
103.00474	0.7
103.02375	0.6
104.52683	0.7
105.00347	0.8
105.53451	1.5
106.97926	2.7
107.06049	0.9
107.53185	2.4
108.53961	2.3
108.95847	9.8
109.02866	22.5
109.03965	1.3
109.06513	6.6
109.07640	6.2
109.10137	8.7
109.52921	1.1
110.06024	10.5
110.07169	5.7
111.02038	0.7
111.02853	0.9
111.04427	10.3
111.05537	2.0
111.08037	1.8
111.09192	1.7
111.98466	15.7
112.00954	3.3
112.01612	1.9
112.07625	1.3
112.96739	0.7
113.00774	1.4
113.02383	1.8
113.05994	4.8
113.07110	2.6
113.08258	0.9
113.53187	2.3
113.96388	44.0
113.98625	2.0
114.05470	0.7
114.06645	6.8
114.51211	0.8
114.53960	13.7
114.94781	0.9
114.96563	0.7
115.02406	2.9
115.04053	3.1
115.04991	1.0
115.52863	0.8
115.54728	1.5
116.00182	0.8
116.53705	1.6
116.98599	2.6
118.01096	1.1
118.03509	1.5
119.01127	1.2
119.01905	14.0
119.08562	1.1
119.53215	3.6
119.53953	0.9
119.97247	0.8
120.02019	1.6
120.04358	0.7
120.05517	1.4
120.53967	4.6
121.01548	8.1
121.02348	1.5
121.04057	1.4
122.53699	2.2
123.04443	3.1
123.54485	1.7
124.02405	3.4
125.07111	0.9
125.53160	1.2
126.04718	1.2
127.02458	0.9
127.03900	21.8
127.07543	3.6
127.08591	4.1
128.07121	1.3
128.08151	1.3
128.53685	4.8
128.97810	2.0
129.03807	1.9
129.05437	1.7
129.54495	1.0
129.99493	12.1
131.01906	13.5
131.54178	1.2
131.96152	12.2
131.97411	63.3
131.99617	7.9
132.01941	1.9
132.05037	1.2
132.95822	25.4
133.01662	0.9
133.03465	3.9
134.01216	0.7
134.53665	4.2
134.99684	1.4
136.02159	0.7
137.02118	3.8
137.03128	1.3
137.05923	2.8
137.07040	1.5
137.07997	1.0
137.09619	1.5
137.10651	0.8
137.98357	2.9
138.05452	4.6
138.06529	4.8
140.01874	0.8
140.04608	1.4
142.03482	58.6
143.01950	0.8
143.02339	0.7
143.03587	8.6
143.54210	21.2
144.03194	3.1
144.04343	5.4
145.03453	7.9
146.03539	0.9
146.99574	0.8
147.01379	1.6
147.03227	1.5
147.05072	1.2
149.02948	4.1
149.97191	49.8
149.98351	1.9
150.00725	12.6
150.96867	87.9
152.54706	3.8
153.00995	1.1
154.03455	2.8
154.90732	2.3
154.97739	2.8
154.99016	4.4
155.01924	3.3
155.03368	17.1
155.04765	5.2
155.06989	19.4
155.08167	9.4
155.09200	3.4
155.10591	2.1
155.11795	2.5
155.12730	1.1
155.55109	1.0
155.97415	5.2
156.05159	0.6
156.06493	1.9
156.07646	2.9
156.11279	1.5
157.03485	6.7
158.02942	1.2
158.99641	1.5
160.04539	27.9
161.02924	1.8
161.04703	3.2
162.04227	0.9
162.99104	1.0
163.04477	1.6
164.05087	1.9
165.05249	3.7
166.03500	1.5
166.55438	1.1
167.98257	7.8
168.01791	2.0
168.04944	1.4
168.97917	5.6
172.04500	0.9
172.95180	3.1
172.98746	4.8
173.00043	0.8
173.02975	5.3
173.98468	11.1
174.03108	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36481	0.2
54.67646	0.2
55.05508	3.9
56.05011	0.4
57.07079	2.3
65.03931	0.4
67.05489	0.9
69.03429	0.5
69.84872	0.5
69.85275	1.3
70.06586	0.6
71.04987	0.3
71.94096	0.7
72.93784	3.0
79.05478	1.1
81.03416	0.3
81.07057	5.4
82.06577	0.9
83.08610	0.8
85.06533	1.3
90.94831	0.6
90.95391	0.2
91.05436	0.2
95.04985	0.7
95.06081	0.4
95.08598	0.6
96.04503	0.4
96.08109	0.6
97.05262	2.2
98.06078	1.8
98.09684	1.5
98.21407	0.3
99.04428	0.3
108.08117	2.5
108.95823	0.2
109.06507	4.5
109.07632	0.3
109.10158	0.7
110.06039	2.7
111.06824	2.2
111.09233	0.3
113.96396	1.9
119.73592	0.3
125.08378	0.5
126.09148	2.5
131.97429	1.9
138.05522	0.3
139.06277	4.0
139.07520	0.7
149.97180	0.2
154.08627	100.0
155.07037	0.6
155.08983	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	154.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
54.03474	0.3
55.01860	0.3
55.05269	0.4
55.05512	5.1
56.05027	1.3
57.03407	0.4
57.36407	0.2
58.06592	0.7
59.06128	0.3
65.03919	1.2
66.48660	0.2
67.05493	1.7
68.05019	1.1
68.05837	0.3
68.96335	0.3
69.03413	0.7
69.04532	0.6
69.07066	0.4
69.53918	0.5
69.54334	1.6
70.06599	1.5
70.94239	0.3
71.05002	0.4
71.06088	0.4
71.94092	0.8
71.95277	0.3
72.08154	1.0
72.93785	13.8
79.01836	0.4
79.05489	1.8
80.02187	0.5
80.05811	0.3
81.03406	0.7
81.04521	0.8
81.07055	5.9
82.06586	1.6
83.04961	1.0
83.06114	1.2
83.08597	1.2
84.04488	0.5
84.08125	0.5
85.02917	0.4
85.06535	0.3
85.07671	0.5
90.94815	3.5
91.05482	1.2
92.05812	0.3
93.03412	0.6
93.05785	0.6
93.07027	0.5
94.06554	0.8
95.04966	4.6
95.06074	1.8
95.08580	0.9
96.04469	0.5
96.05305	2.1
96.08115	0.4
97.02884	0.4
97.05273	2.2
97.06535	0.5
97.07629	1.0
98.03149	0.3
98.06049	2.8
98.09689	1.5
98.98434	0.4
108.08105	2.6
108.08879	0.6
108.95860	0.7
109.02870	1.0
109.06519	5.4
109.07624	2.1
109.10151	1.1
110.06056	2.8
110.06809	0.5
111.04432	1.6
111.05592	0.4
111.06823	3.1
111.07995	0.3
111.09206	1.1
112.04765	0.6
112.08656	0.9
113.05972	0.7
113.07115	1.0
113.10794	0.4
113.96398	8.5
123.04443	1.4
124.07597	0.4
125.08375	0.6
126.05505	0.4
126.09151	2.6
127.03918	1.6
127.04790	0.3
127.08616	0.3
131.97433	9.5
136.07555	1.1
136.08617	0.8
137.02361	0.7
137.05957	1.6
137.07097	0.8
137.10677	0.5
138.05493	0.6
139.03900	1.0
139.06281	4.3
140.06677	0.3
144.03734	0.7
148.97287	0.6
149.97217	0.5
149.98360	0.3
152.06985	0.4
154.02209	2.7
154.08623	100.0
154.98990	0.9
155.03397	1.8
155.07066	2.4
155.08978	3.5
155.10571	0.5
158.48380	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.01581	0.7
51.02372	3.2
53.00281	0.7
53.03933	0.9
55.01860	1.1
55.05508	4.7
57.03430	0.5
57.07067	0.9
59.04991	2.6
61.12812	0.4
65.03943	3.3
66.04249	0.5
67.05502	2.8
69.03429	2.8
69.07058	3.2
69.40381	4.7
70.06567	0.8
70.94251	1.4
71.04986	11.6
71.43045	0.5
71.94094	1.8
73.06545	5.2
79.01848	33.1
79.05489	8.2
80.02172	0.8
81.03420	0.5
81.07047	28.9
83.04989	2.5
83.06088	0.6
83.08613	0.5
85.02872	0.8
85.06531	0.5
89.86444	0.5
91.05474	2.6
93.03384	1.2
93.07034	15.0
95.04963	3.7
95.06046	0.7
95.08592	3.8
97.02879	5.6
97.06533	2.7
98.20654	1.0
105.07040	0.8
107.01308	9.4
107.04964	2.3
107.08586	12.4
109.06534	1.5
109.10146	2.9
110.03654	1.0
111.04427	7.5
111.08086	2.9
111.96875	1.0
112.08717	1.7
112.96732	0.8
121.06487	0.9
123.00766	1.5
123.04440	0.5
125.02341	15.1
125.05959	4.1
125.09615	0.9
126.02696	0.7
128.54539	0.5
129.97887	1.3
130.79855	0.4
130.97708	0.6
135.04378	1.8
135.08060	1.0
135.11688	8.6
136.07570	0.6
137.09395	0.5
143.03381	34.5
144.03723	1.5
153.01819	100.0
153.02917	8.6
153.05336	3.6
153.09102	2.6
153.11438	1.1
153.12737	5.5
154.02148	4.7
154.04887	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.01606	0.9
51.02400	1.0
53.00286	1.4
53.03934	2.4
55.01860	1.5
55.05504	15.9
57.03430	1.4
57.07073	1.1
59.05001	7.0
59.68291	0.8
65.03941	5.7
67.05498	4.7
69.03419	1.8
69.07062	15.3
70.68013	2.0
70.68342	1.7
70.94254	1.8
71.04989	44.1
72.05322	1.0
73.06552	24.0
75.04433	0.8
78.78663	0.8
79.01852	13.7
79.05485	24.1
81.07051	100.0
82.07380	1.2
83.04953	2.4
83.08592	1.9
85.06548	1.2
86.55758	0.8
91.05474	6.8
93.03391	2.6
93.07035	41.6
95.04960	4.0
95.08603	8.8
97.02876	2.9
97.06525	6.1
105.07000	2.7
107.01324	3.0
107.04912	1.1
107.08587	41.4
108.08900	1.2
109.06508	7.2
109.10159	7.8
110.03678	1.0
111.04433	8.2
111.08067	5.3
111.96890	0.9
112.08698	0.9
119.08589	1.0
125.02364	7.1
125.05976	4.8
129.97902	0.9
135.04434	1.0
135.08057	2.3
135.11682	32.8
136.12025	1.5
143.03386	14.0
153.01826	40.9
153.02937	4.1
153.05472	2.7
153.09131	3.4
153.11491	1.6
153.12729	17.5
154.02155	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	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.02373	4.5
53.00303	2.0
53.03941	3.0
55.01862	2.6
55.05511	16.4
57.03422	2.2
57.07060	1.7
59.04994	7.3
59.63196	1.0
65.03941	10.7
66.64440	1.0
67.05500	9.2
67.37981	1.0
68.05002	1.2
69.03419	7.1
69.07066	14.2
69.94730	6.3
70.06578	1.7
70.94234	5.1
70.95855	2.1
71.04990	32.8
71.94096	29.9
73.06161	1.8
73.06547	17.9
79.01847	40.5
79.05488	32.8
79.06189	1.2
80.02192	1.2
81.07051	81.7
82.07353	1.8
83.04984	9.6
83.06074	1.4
83.08618	3.5
85.06522	1.6
89.95133	2.1
91.05472	15.4
93.03391	5.0
93.07036	41.7
94.07366	1.4
95.04957	12.1
95.06123	1.9
95.08598	23.5
97.02891	9.2
97.06521	12.5
105.07021	5.3
107.01293	9.0
107.04951	4.7
107.08586	62.3
108.08884	2.6
109.06520	7.6
109.10167	11.0
110.03629	2.9
110.07211	1.9
111.04433	25.3
111.08073	24.1
111.96877	3.0
112.08701	4.2
112.96704	12.6
119.06080	1.6
123.00787	1.6
125.02353	17.9
125.05984	11.8
125.09621	73.7
126.09964	2.1
129.97935	2.1
130.97754	10.9
135.04388	2.2
135.08043	18.4
135.11684	30.6
136.03871	1.4
136.07536	1.3
136.08623	2.2
137.07098	1.1
143.03386	38.1
144.03673	2.5
153.01823	100.0
153.02931	10.8
153.05449	12.1
153.06599	1.7
153.09094	25.1
153.11375	4.8
153.12740	22.8
154.02171	4.2
154.04973	2.2
154.08571	2.1
154.09732	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.02372	2.2
52.44403	1.4
52.46413	1.3
53.03943	3.1
55.01858	2.0
55.05511	21.9
57.03433	1.6
57.07057	1.6
59.04986	6.2
65.03938	5.2
67.05501	7.6
69.03437	3.2
69.07069	35.6
70.06581	1.6
70.94253	4.0
71.04992	40.7
71.59266	2.6
71.94093	3.7
72.08150	1.2
73.06553	21.7
74.47398	1.2
77.03966	1.2
78.00004	1.4
79.01853	18.0
79.05495	29.5
80.05830	2.2
81.07054	100.0
82.07381	2.7
83.04964	3.6
83.08640	1.4
85.73471	1.4
91.05468	9.1
93.03418	2.1
93.07040	40.0
95.04952	7.8
95.08618	10.3
97.02886	4.9
97.06542	10.1
105.04513	1.5
105.07051	1.9
107.01320	4.2
107.04950	27.8
107.05618	2.2
107.07863	2.2
107.08592	40.1
109.06514	4.5
109.07651	2.5
109.10161	11.6
109.22605	1.4
110.03651	1.6
111.04433	15.6
111.08078	5.4
111.09202	2.4
111.96857	2.1
112.08800	2.8
113.05889	1.5
119.08567	1.9
125.02330	7.7
125.06015	7.4
125.09617	2.1
126.05505	2.3
129.97903	2.4
130.97768	1.3
135.04422	13.1
135.08038	1.5
135.11687	36.4
136.07605	2.3
136.12082	2.0
143.03397	19.2
153.01834	55.2
153.02948	6.7
153.05481	8.2
153.07468	4.4
153.09143	3.1
153.11368	4.9
153.12750	19.3
154.02187	2.7
154.05028	2.7
154.08614	8.7
154.09723	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.01589	1.2
51.02376	3.5
55.01870	1.5
55.05505	7.3
57.03431	6.0
57.07065	4.4
59.04999	5.8
65.03941	6.2
67.05174	0.8
67.05508	10.7
69.03439	4.1
69.07067	9.2
70.94271	1.0
71.04984	3.2
73.06559	2.1
79.01854	35.1
79.05499	8.7
80.02161	1.0
81.07059	9.4
82.07410	0.8
83.04981	7.8
83.08595	2.0
87.00806	0.8
91.05486	8.6
93.03400	2.3
93.07036	23.7
95.04977	4.7
95.08607	26.6
96.08945	1.9
97.02907	7.3
97.06528	14.9
105.07070	3.7
107.01314	9.3
107.04943	2.2
107.08593	36.8
107.14893	0.8
108.08929	1.5
109.06522	3.7
109.10155	16.7
109.54967	0.6
110.03693	1.7
110.07191	0.8
110.10477	1.2
111.04443	11.0
111.08080	18.7
111.09254	1.0
111.10791	0.8
112.08700	1.0
116.04971	0.7
119.08591	2.4
123.00797	1.6
124.08879	0.9
125.02351	18.9
125.05984	4.0
125.09624	10.2
126.02708	0.9
126.05511	0.9
126.10259	0.9
135.08060	14.5
135.11690	36.0
136.12018	1.2
143.03391	36.3
153.01834	100.0
153.02950	11.2
153.05444	4.1
153.09122	8.0
153.11592	2.6
153.12740	35.4
154.02164	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	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.02376	1.3
53.03940	0.8
55.01875	3.2
55.05512	6.3
55.08544	0.6
56.22953	0.7
56.96518	0.6
57.03421	2.3
57.07048	1.5
59.04986	1.6
65.03935	9.1
67.01865	1.0
67.05497	10.9
68.05019	1.5
68.88084	0.6
68.99783	0.7
69.03431	3.7
69.07067	7.2
70.06573	1.1
70.85467	2.0
70.94245	2.6
71.04992	3.9
71.06089	0.9
71.93723	1.4
71.94095	18.7
72.08125	0.9
73.06544	1.3
79.01848	17.7
79.05484	14.9
80.02172	1.0
80.05788	0.9
81.04526	0.8
81.07050	13.9
81.82841	0.7
82.02922	0.6
82.07364	0.6
83.04977	8.1
83.06071	0.9
83.08609	2.8
85.02895	0.7
85.07646	0.8
89.95119	1.4
91.05472	10.9
93.03408	3.5
93.07037	74.4
94.07395	1.2
95.04959	11.9
95.06094	2.1
95.08599	47.8
95.13586	0.6
96.08913	1.1
97.02877	4.7
97.06523	9.7
97.07603	1.1
98.21033	1.2
101.83408	0.7
105.07030	3.4
107.01316	4.7
107.04945	3.7
107.08585	100.0
108.04465	0.7
108.05569	0.7
108.08909	3.2
109.06535	3.3
109.07623	1.6
109.10151	13.4
110.03663	1.8
110.07146	0.7
111.04433	21.3
111.08056	5.6
111.09176	1.5
111.96889	1.6
112.08724	4.0
112.96697	9.7
117.06995	1.4
123.00802	1.2
123.08038	0.9
125.02345	8.2
125.05978	8.2
125.09641	2.7
126.02695	0.8
126.05515	0.8
129.97905	1.7
130.97734	6.3
135.04408	1.8
135.08046	16.2
135.08977	1.3
135.11684	40.0
136.07576	0.9
136.08617	1.3
136.12065	1.7
142.24065	0.6
142.62556	0.9
143.03394	17.7
148.97406	0.8
153.01825	59.9
153.02936	6.3
153.05440	6.9
153.06595	1.1
153.09111	9.8
153.11359	3.0
153.12709	17.6
154.02121	3.4
154.04974	1.1
154.08626	0.9
154.09737	1.5
154.13155	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	cis-2,8-Menthadien-1-ol
Peak:m/z	Relative Intensity
53.03930	1.6
55.01862	1.9
55.05502	9.2
56.26683	0.6
56.96555	1.2
57.03436	4.9
57.07061	2.3
59.05007	1.5
65.03940	9.0
67.05501	25.3
69.03429	3.5
69.07063	41.6
70.94246	2.4
70.95872	1.1
70.99378	1.8
71.04980	3.3
71.94091	3.5
71.95258	8.0
77.32543	0.7
79.01851	1.3
79.05488	23.5
81.03414	1.0
81.07053	33.6
82.07370	1.4
83.04968	7.4
83.08617	5.4
85.02901	0.7
85.06530	2.5
86.50392	0.6
91.05474	5.0
93.03419	1.9
93.07039	39.5
94.07340	0.8
95.04964	8.5
95.08595	15.8
97.02883	1.7
97.06530	21.4
105.07008	1.7
107.04959	4.7
107.08587	43.0
108.04564	0.7
108.08879	0.9
109.06497	2.5
109.10149	29.6
110.03644	1.6
111.04443	19.3
111.08074	9.8
111.11640	0.9
111.96867	2.3
112.04779	0.9
112.96716	1.2
122.42281	0.6
125.02373	1.3
125.05995	9.3
125.09645	1.9
126.05496	0.7
126.06321	1.2
129.97899	1.6
130.97710	1.2
133.10240	0.7
135.04413	2.6
135.08063	2.7
135.11681	93.3
136.03914	1.1
136.07547	1.1
136.12013	3.1
136.96616	0.6
143.03406	1.1
145.63339	0.6
152.99567	1.0
153.01845	5.4
153.04253	1.2
153.05478	8.7
153.07518	3.3
153.09175	6.0
153.12733	100.0
154.04974	3.7
154.08658	1.3
154.13074	3.1
154.15865	0.9
168.53778	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.38465	0.6
51.02370	3.8
53.03938	0.8
55.01857	2.2
55.05507	4.2
56.96568	0.5
57.03416	1.1
57.07067	1.5
59.04983	2.5
65.03937	9.2
65.19437	0.6
67.05502	4.5
68.96967	0.5
69.03428	4.2
69.04543	1.0
69.07058	4.4
70.06578	1.9
70.74648	0.6
70.94254	3.3
71.04994	7.3
71.59807	0.9
71.94099	3.5
71.95241	1.2
72.08151	0.7
73.06559	3.1
79.01850	33.9
79.05487	10.5
80.02148	0.9
81.03385	0.6
81.07053	19.4
82.07358	0.7
83.04951	3.3
83.06059	0.8
83.08608	0.9
85.06538	1.2
91.05481	6.2
93.03401	2.7
93.06468	1.0
93.07037	15.6
95.04960	7.7
95.06072	2.2
95.08598	7.6
97.02882	6.9
97.06543	6.6
99.09205	0.7
105.07023	2.1
107.01307	8.9
107.04959	2.9
107.08585	19.1
108.08901	0.9
109.06514	4.8
109.07649	1.0
109.10151	7.5
110.03651	1.3
110.07180	0.8
111.04433	19.5
111.08088	5.4
111.09193	1.6
111.96861	1.8
112.08750	3.7
112.96703	1.9
113.05843	0.7
119.08586	0.8
123.00767	1.5
124.08728	0.7
125.02347	17.1
125.05979	8.9
125.09623	2.4
129.97911	2.0
130.97746	1.5
135.04390	2.1
135.08046	25.1
135.11684	9.0
136.08586	1.7
138.06744	0.7
143.03391	34.7
144.03754	1.2
148.97406	0.7
153.01825	100.0
153.02930	9.7
153.05421	6.3
153.07671	1.1
153.09106	11.4
153.10237	1.3
153.11363	5.9
153.12743	15.5
154.02115	4.1
154.04982	0.9
154.09743	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0909
Annotation	2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Peak:m/z	Relative Intensity
50.01589	0.9
51.02359	1.8
53.03909	0.9
55.01844	2.5
55.05499	4.0
57.03419	1.5
57.07051	1.6
59.04964	2.0
65.03616	0.7
65.03937	8.8
67.05493	5.0
67.18043	0.6
69.03424	3.8
69.07077	3.3
69.60742	4.7
70.06564	0.9
70.94230	2.0
71.04987	4.4
71.94114	3.1
73.06528	1.5
75.77472	0.6
79.01846	24.9
79.05484	18.6
81.07052	15.7
83.01326	0.7
83.04970	4.4
83.08589	1.8
85.06512	1.2
91.05475	12.6
93.03384	2.4
93.07039	14.8
95.04956	19.5
95.08600	9.1
97.02885	5.7
97.06522	5.1
98.20708	0.7
105.07021	7.4
107.01310	5.0
107.04959	3.2
107.08584	32.6
108.08910	1.2
109.06507	16.8
109.07619	0.9
109.10155	7.0
110.03613	1.3
111.04436	13.7
111.08077	6.1
111.96849	1.3
112.08728	1.9
112.96682	1.2
115.05464	0.6
117.07017	1.2
119.06065	0.9
123.00790	0.9
123.04425	1.1
123.08046	0.9
125.02338	10.8
125.05980	8.4
125.09618	2.8
129.97911	1.8
135.04430	2.2
135.08040	100.0
135.11632	8.5
136.08394	3.9
138.06767	2.4
143.03377	26.3
144.03769	1.6
153.01823	69.7
153.02942	7.8
153.05446	4.9
153.09090	36.2
153.11351	3.0
153.12750	15.2
153.13916	0.8
154.02205	3.3
154.05035	0.9
154.09598	1.4
171.26999	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0909
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
50.01585	1.3
50.29006	0.6
51.02369	3.4
53.03946	0.7
55.01871	10.6
55.05506	6.3
56.05028	0.9
57.03423	2.8
59.04999	10.5
65.03932	6.9
67.05498	7.8
68.05004	0.8
68.99786	1.6
69.03426	7.8
69.04559	1.0
69.07066	7.5
69.81530	4.4
70.06586	2.0
70.94247	3.0
70.95863	1.1
71.04978	2.5
71.94096	1.3
71.95268	0.7
72.08141	1.4
73.06553	1.0
79.01852	33.6
79.05489	17.4
80.02174	1.5
80.05807	0.8
81.03386	0.9
81.07050	9.2
82.06580	0.7
83.04974	7.6
83.08612	1.6
87.92340	0.6
88.95302	0.8
89.57151	0.6
91.04905	0.7
91.05473	13.0
92.05792	0.7
93.03391	3.1
93.07040	8.8
94.06541	0.8
95.04968	10.0
95.06076	1.9
95.08582	4.8
97.02888	7.0
97.06502	3.4
97.07658	0.8
102.27119	0.6
102.84174	0.7
105.07030	8.9
107.01315	7.7
107.04946	6.0
107.08590	40.7
108.05722	2.2
108.08920	1.3
109.06519	9.8
109.07642	1.6
109.10161	2.0
110.03635	1.9
110.07146	1.0
111.04438	22.6
111.08069	14.3
111.09226	1.7
111.96865	0.7
112.08690	2.5
112.96716	0.8
113.05851	0.9
115.05463	1.1
117.07001	4.1
119.06058	1.0
123.00784	0.8
123.08062	18.9
123.37884	0.7
125.02335	16.8
125.05991	6.6
125.09624	16.0
129.97906	1.6
130.08052	0.6
133.07571	0.9
135.04422	1.9
135.08049	34.9
135.11665	3.3
136.08554	1.7
138.03166	0.7
143.03389	33.9
144.03743	1.3
148.97411	0.9
153.01826	100.0
153.02940	10.7
153.05397	5.6
153.07770	1.0
153.09090	22.4
153.10315	1.2
153.11319	4.4
153.12740	4.3
154.02164	3.7
154.04875	0.8
154.06023	0.6
154.08563	1.6
154.09682	1.6
168.32664	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.6
51.02373	3.2
53.03949	0.3
54.42129	0.3
55.01867	1.5
55.05509	0.5
56.05001	0.4
56.96563	0.9
57.03425	0.6
61.02943	0.3
65.03937	2.9
67.02982	0.4
67.05490	0.8
68.99785	0.4
69.03430	2.1
69.04549	0.5
70.06588	0.4
70.84840	0.5
70.94260	0.7
76.40362	0.3
79.01851	28.5
79.05478	1.7
80.02212	0.4
80.05025	0.4
81.03410	0.4
81.04554	0.4
81.07061	0.6
83.04967	0.7
83.06087	0.3
85.02902	0.3
87.00813	0.3
88.14901	0.3
88.95263	0.3
91.05454	0.3
93.03422	1.4
93.07031	0.8
95.04964	1.1
95.06073	0.4
95.08605	0.4
96.05597	0.3
97.02886	6.0
97.03945	0.3
97.06534	0.9
98.97570	0.8
99.04395	0.3
107.01309	6.9
107.04948	3.2
107.08595	1.1
108.05606	0.3
109.06497	0.6
109.07642	0.5
109.10143	0.5
109.98889	0.3
110.03546	1.2
110.06054	0.4
110.07194	0.3
111.04434	7.4
111.08052	0.4
111.09214	0.5
112.04753	0.3
112.08800	0.3
113.05875	1.9
116.98595	0.6
117.83441	0.3
120.69704	0.3
123.00803	0.9
125.02348	16.6
125.05991	3.3
125.09625	0.7
126.02702	0.4
126.06624	0.3
129.97885	0.5
130.96330	0.5
134.99655	0.4
135.04454	1.8
135.05359	0.4
135.07994	0.3
135.09114	0.3
135.11717	0.8
136.01468	0.4
136.07549	0.6
136.08652	0.3
137.07037	0.3
138.03116	0.3
143.03391	34.8
144.03722	0.9
148.97385	0.8
153.01828	100.0
153.02924	9.9
153.05313	4.8
153.07405	2.8
153.09082	0.8
153.10231	0.8
153.11330	0.5
153.12621	0.4
154.02197	3.7
154.03377	0.4
154.03937	0.2
154.04910	1.9
154.09723	0.4
156.86665	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.4
51.02380	2.5
53.03945	0.6
54.81729	0.4
55.01858	1.2
55.05499	1.4
56.96532	0.5
57.03425	1.1
57.07056	1.9
59.03276	0.4
59.04994	0.8
65.03936	4.0
65.91304	0.4
67.05500	5.6
68.05033	0.4
68.27563	0.4
68.99789	0.4
69.03426	2.1
69.07055	3.0
70.06581	0.8
70.94249	1.7
70.95854	0.5
71.04971	1.0
71.14971	0.5
71.15318	1.0
71.94093	2.3
71.95251	0.8
79.01848	31.1
79.05479	2.8
80.02178	0.7
81.07053	4.6
83.04972	2.4
83.05397	0.4
83.06084	0.5
83.08586	0.5
84.04111	0.4
85.06540	3.2
87.00878	0.4
88.95274	0.5
91.05467	1.5
93.03403	1.9
93.07036	7.0
95.04962	2.4
95.06011	0.6
95.08599	16.5
97.02881	5.2
97.06518	3.9
105.07003	0.6
107.01313	9.0
107.04940	1.8
107.08586	6.2
109.06492	0.8
109.10138	5.3
110.03600	0.5
110.07203	1.0
111.04436	7.8
111.08074	4.3
111.09207	0.8
111.96848	0.9
112.08735	2.1
112.96670	0.7
119.08517	0.5
119.90784	0.4
123.00765	1.3
123.04434	0.4
125.02344	17.2
125.03264	0.9
125.05985	4.4
125.09630	0.8
128.44875	0.4
129.97910	1.1
130.39235	0.4
130.97725	0.5
135.04395	1.3
135.08047	1.3
135.11681	5.8
136.03966	0.5
136.08649	0.8
143.03384	34.8
144.03749	1.0
153.01820	100.0
153.02907	7.4
153.05309	3.7
153.09061	2.7
153.11340	2.6
153.12735	5.8
154.02164	2.8
172.50079	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.7
51.02380	3.1
53.00305	0.6
53.03939	1.5
54.74279	0.5
55.01858	1.6
55.05510	3.0
56.35860	0.4
56.96567	0.4
57.03424	0.8
57.07066	0.6
59.04986	0.9
65.03939	4.3
67.05495	2.0
69.03431	2.5
69.07063	3.8
70.94265	2.7
70.94586	0.4
70.95863	0.5
71.04991	8.1
71.15047	0.7
71.15398	1.0
71.94099	2.5
71.95254	0.6
73.06551	3.9
75.04449	0.5
79.01852	33.6
79.05494	5.5
80.02186	0.6
81.03415	0.8
81.07053	16.2
83.04980	2.4
83.08596	0.7
88.95276	0.6
91.05481	2.8
93.03391	2.2
93.07042	9.8
95.04966	2.6
95.08607	2.7
97.02893	6.0
97.06516	3.8
105.07091	0.5
107.01315	9.0
107.04971	3.1
107.08597	10.1
109.06509	1.6
109.10151	2.8
110.03648	1.7
110.07191	0.9
111.04430	11.3
111.08100	2.2
111.09205	0.6
111.96858	1.4
112.08707	2.5
112.96711	1.3
114.51752	0.5
123.00801	0.8
124.28603	0.4
124.64419	0.4
125.02342	16.5
125.05985	5.2
125.09639	1.0
129.97899	1.2
130.97729	1.4
135.04387	1.3
135.08087	2.4
135.11678	6.3
136.08635	0.7
138.03148	0.6
143.03389	34.8
144.03723	0.9
145.65080	0.5
153.01826	100.0
153.02939	10.6
153.05359	4.3
153.09105	3.3
153.11353	1.8
153.12747	5.0
154.02158	3.2
154.05000	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	1.1
51.02369	1.9
53.00287	0.6
53.03930	0.5
54.03437	0.4
55.01860	2.0
55.02989	0.6
55.05500	1.7
56.05024	0.7
56.42118	0.3
56.96560	5.0
57.03418	1.2
57.04546	0.5
57.07067	0.6
59.04980	0.5
59.06076	0.3
60.04527	0.4
60.95829	0.5
61.02925	0.4
63.65818	0.3
65.03933	11.0
67.02973	0.8
67.05497	2.5
68.05016	1.2
68.05830	0.3
68.96313	0.9
68.99763	0.6
69.03426	3.8
69.04543	1.4
69.07075	1.6
70.06575	1.5
70.31451	0.5
70.31841	0.6
70.94259	2.6
70.95847	0.9
71.01346	0.3
71.04977	1.1
71.06088	0.3
71.94083	0.9
71.95251	0.7
72.04491	0.3
72.08147	0.6
73.02885	0.5
79.01846	36.6
79.05486	4.5
80.02177	0.9
80.04990	0.6
80.22310	0.3
81.03405	1.1
81.04529	1.8
81.07037	2.0
82.05306	0.4
82.06564	0.9
83.04967	2.8
83.06083	1.0
83.08606	0.4
84.04480	0.7
84.08134	0.4
85.02880	1.3
85.04014	0.6
85.06501	0.4
85.07652	0.3
86.03208	0.3
86.97333	0.4
87.00836	0.7
88.95295	0.9
91.05462	1.6
92.99755	0.3
93.03400	3.3
93.07032	3.5
94.06561	1.0
95.04958	3.6
95.06071	1.4
95.08604	1.7
96.04453	0.4
96.05652	0.4
96.06894	0.5
96.08148	0.4
97.02277	0.6
97.02884	9.0
97.03930	0.5
97.06517	3.9
97.07652	0.9
98.06064	0.5
98.97540	1.4
99.04464	0.3
105.07028	0.5
107.01303	8.6
107.04944	8.1
107.06075	0.7
107.08585	4.0
108.04503	0.6
108.05576	0.9
108.08056	0.7
109.02881	0.5
109.03963	0.3
109.06509	1.7
109.07645	1.9
109.10147	1.7
109.98954	0.3
110.01237	0.4
110.03562	7.1
110.06016	0.9
110.07157	0.6
111.04433	27.9
111.05633	0.8
111.06335	0.7
111.08056	1.8
111.09203	1.4
111.96849	1.0
111.98486	0.3
112.03985	0.5
112.04784	0.5
112.07624	0.7
112.08729	0.7
113.05864	4.5
113.07124	0.5
116.98608	2.0
117.05462	0.3
117.98965	0.4
119.00133	0.3
119.01846	0.6
120.97891	0.4
121.01472	0.4
121.02836	0.4
123.00787	1.3
123.04411	0.4
123.06382	0.3
125.02342	18.5
125.05981	12.1
125.07990	0.4
125.09592	1.5
126.02695	0.4
126.05521	0.6
126.06590	0.9
126.10151	0.3
127.03947	0.3
127.05029	0.8
128.04541	0.6
128.98709	0.4
129.97899	1.8
130.01917	0.3
130.96301	0.5
130.97792	0.4
131.00150	0.3
134.99652	1.6
135.04408	3.5
135.05511	0.8
135.06523	0.6
135.08105	1.8
135.09077	0.4
135.11681	1.2
136.01402	3.6
136.05042	0.6
136.07559	1.4
136.08670	0.9
137.05972	1.0
137.07036	0.5
138.03075	0.7
143.03383	35.2
144.03703	1.1
148.97340	2.2
149.01230	0.5
153.01823	100.0
153.02904	9.9
153.04060	11.7
153.05458	10.4
153.07439	11.7
153.09067	2.7
153.10219	1.6
153.11128	1.9
153.12697	1.9
154.02405	9.0
154.04987	2.2
154.06067	0.7
154.08615	0.7
154.09709	1.0
154.13326	0.4
158.99634	0.4
161.01221	0.3
166.04956	0.4
171.99063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0706
Annotation	Paracetamol
Peak:m/z	Relative Intensity
51.02374	0.3
55.01865	0.4
55.70234	0.2
56.05035	0.2
56.96284	0.2
56.96559	2.2
57.03438	1.1
57.03662	0.2
61.02922	0.4
65.03920	0.7
67.05487	0.3
69.03406	0.7
70.06596	0.2
70.69286	0.2
70.94231	0.2
71.59622	0.5
73.02892	0.4
76.51452	0.2
79.01460	0.3
79.01857	3.7
79.05487	0.5
81.03396	0.4
81.05737	0.2
85.02883	0.8
91.02444	0.4
92.05006	1.7
93.03392	0.2
93.05774	1.2
94.06542	0.5
96.04491	0.2
96.08121	0.2
97.02899	1.6
97.07644	0.4
98.01293	0.3
98.97592	1.0
100.02489	0.2
106.06521	0.4
107.01328	1.2
107.04966	0.3
109.05148	0.5
109.07617	0.8
110.01257	0.3
110.03503	1.0
110.06038	7.2
110.51429	0.4
110.97517	0.2
111.02945	0.3
111.04426	0.8
112.09974	0.2
115.02408	0.4
116.98590	0.7
117.03996	0.3
118.03557	0.3
119.01881	1.1
122.06016	1.7
123.06763	0.4
124.07561	0.7
125.02352	1.9
125.04735	0.7
125.05949	0.3
128.04543	0.8
128.52457	0.3
128.98601	0.8
133.03445	0.6
134.06029	1.9
134.99629	0.6
135.03014	1.5
135.04265	0.5
135.05151	0.3
135.09149	0.4
137.02943	0.3
137.04791	0.3
137.52992	0.2
138.05455	0.4
140.04974	0.6
140.55037	0.2
143.03391	4.0
146.99635	0.7
147.04991	0.4
149.03647	0.2
152.05695	13.2
152.07036	100.0
153.01826	13.4
153.02904	1.1
153.04001	3.9
153.05333	0.4
153.07410	2.8
153.08647	0.3
159.05016	0.3
160.09671	0.2
161.02928	0.5
161.06570	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0706
Annotation	Paracetamol
Peak:m/z	Relative Intensity
51.02380	0.2
53.03937	0.2
55.01862	0.2
56.05019	0.6
56.96563	2.8
57.03444	0.9
59.04977	0.2
59.49895	0.2
60.95840	0.2
61.02913	0.6
63.00720	0.2
65.03925	0.6
65.25882	0.2
65.44700	0.2
67.05485	0.6
69.03421	0.9
69.88047	0.9
70.03727	0.2
71.04984	0.5
73.02904	1.0
74.03268	0.2
77.00803	0.2
79.01856	1.8
79.05475	0.4
81.03402	0.6
85.02896	0.7
87.20717	0.2
88.02670	0.3
89.00742	0.2
90.01567	0.3
90.51693	0.3
92.01263	0.3
92.04995	2.2
93.05759	1.2
94.06575	0.3
95.96407	0.2
96.51716	0.2
97.02885	1.7
98.01250	0.4
98.97015	0.2
98.97562	1.1
99.04446	0.3
100.02481	0.3
101.00809	0.2
102.96838	0.2
104.51460	0.2
105.02041	0.2
106.04872	0.3
106.06571	0.4
107.01263	0.3
107.04945	0.3
107.07339	0.2
108.60114	0.2
109.02836	0.4
110.01257	0.4
110.03529	0.6
110.06042	7.2
110.51443	0.5
110.97581	0.4
111.04450	0.2
115.02449	0.4
116.98637	0.8
117.03984	0.7
118.03464	0.2
119.01839	1.4
119.51945	0.8
120.01937	0.3
121.32938	0.2
122.06006	1.7
123.06815	0.3
124.04745	0.2
124.07572	0.6
125.02334	1.0
125.04716	0.7
128.02310	0.6
128.04497	0.3
128.52515	1.0
128.98610	0.9
129.03944	0.3
131.01892	0.4
131.54330	0.2
133.03462	0.5
134.06024	0.9
134.99673	0.3
135.03070	0.9
135.05118	0.9
137.53041	0.2
138.05470	0.4
140.05029	0.9
143.01891	0.6
143.03374	2.0
143.82079	0.2
146.03481	0.2
146.99684	0.9
147.01384	0.5
147.04985	0.4
152.07048	100.0
153.01826	5.5
153.02876	0.3
153.04010	1.5
153.05370	0.3
153.07388	3.2
158.01155	0.3
159.05081	0.2
161.02872	0.8
173.02953	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0705
Annotation	2-Descarboxy-cyclo-dopa
Peak:m/z	Relative Intensity
53.03922	1.1
55.05498	2.0
56.05017	0.9
57.07066	1.5
58.07402	1.2
62.20682	0.6
63.73688	0.6
65.03925	1.8
67.05483	3.1
68.05026	8.6
68.05813	3.1
68.93169	0.7
69.03416	2.5
69.07048	1.7
70.01186	1.7
70.01602	2.6
70.06568	2.3
70.94262	0.9
72.08961	0.7
76.29430	0.7
79.01845	3.0
79.05489	52.1
80.05003	3.3
80.05826	1.6
81.03388	0.9
81.05792	18.7
81.07030	2.8
82.06560	1.3
82.07388	2.0
83.04988	1.8
91.05464	1.1
93.03395	0.8
93.04520	0.8
93.07021	1.7
94.06558	3.8
94.07358	1.4
95.04969	4.5
95.08579	4.4
96.08127	87.8
96.08894	7.8
97.07639	2.6
97.08450	1.6
106.06525	0.9
106.07350	2.1
107.01340	0.8
107.04938	2.3
107.06099	1.0
107.08563	1.7
108.08897	0.8
109.06555	1.1
109.07623	2.9
109.10139	2.8
110.03606	0.8
110.07100	1.7
110.10478	6.3
111.04408	4.3
111.08042	1.5
111.09190	0.8
123.04412	1.3
124.04762	4.3
124.07584	80.4
124.12122	1.0
125.02334	1.9
125.05952	2.2
125.07918	1.9
125.09602	1.2
129.97867	0.9
134.05956	0.9
134.06914	1.9
135.08040	0.9
135.09155	1.2
143.03380	3.7
152.01616	2.1
152.07043	100.0
152.11765	3.6
152.15125	3.1
153.01825	12.1
153.02934	1.1
153.05444	2.0
153.07388	2.5
153.09033	1.4
153.11382	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.7
56.96567	18.1
57.03427	6.2
60.04514	5.3
61.02915	5.8
62.25041	1.3
65.03928	1.7
69.03428	9.0
69.07693	1.2
69.78802	8.7
73.02926	7.8
74.03255	1.7
74.92085	1.1
74.97617	1.3
79.05490	1.4
79.39942	1.3
82.03751	1.5
85.02900	5.5
85.84946	1.4
88.02711	1.5
89.00736	1.9
90.01549	3.2
92.05013	1.9
96.01524	2.6
96.51701	1.3
97.02869	3.0
98.01271	2.0
98.06068	1.6
98.97571	6.9
99.04460	2.4
100.02517	2.3
101.00871	1.5
102.16183	1.3
104.10720	1.3
105.51231	1.2
106.06532	1.5
107.01830	1.7
107.04958	1.7
108.53978	1.3
109.02898	1.8
109.89957	1.3
110.01259	2.7
110.06071	8.4
110.51450	5.1
110.97523	1.9
111.04443	3.6
116.98611	6.4
117.71165	1.6
118.03519	2.2
119.01862	10.4
119.51964	7.2
120.03412	2.2
121.53661	1.2
122.06025	2.0
122.53716	3.4
124.07635	1.6
125.05965	1.5
127.03907	2.4
128.02310	6.3
128.52481	6.5
128.98615	4.7
129.03949	1.6
131.01906	3.2
131.54213	1.7
134.06015	4.9
134.99661	3.2
136.04599	1.7
137.02916	3.5
140.54768	1.4
142.03450	3.0
143.01880	3.2
145.03485	2.0
146.99635	10.4
147.01358	6.8
147.03195	3.1
147.05054	3.9
152.01735	1.4
152.07062	100.0
152.09138	6.1
153.03952	1.2
153.07372	3.9
157.03465	2.2
158.01172	1.6
160.04552	1.9
161.01181	1.6
161.02951	5.6
165.00616	2.7
165.02391	1.8
173.02983	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	151.1481
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03935	1.5
55.01868	1.0
55.05510	5.7
56.96563	5.0
57.03428	2.3
57.07083	3.2
61.02916	1.3
64.80430	0.5
65.03935	2.0
67.05500	32.9
68.04999	0.9
68.05819	0.7
68.95283	2.1
69.03419	2.4
69.07064	8.7
71.04977	1.2
71.08626	1.1
71.60401	0.7
71.60792	0.8
73.02910	2.1
74.97609	0.5
77.00794	0.6
79.05482	6.3
81.03413	1.4
81.07053	53.5
82.07377	1.6
83.00755	0.8
83.06098	0.8
83.08621	2.1
85.02889	1.2
89.00762	0.6
89.06026	1.1
90.01567	0.6
91.05468	9.1
91.06355	0.5
92.01323	0.6
93.07037	11.4
95.04962	7.3
95.08602	100.0
96.08928	3.0
97.02884	1.2
98.01270	1.6
98.97578	3.1
104.01280	1.0
105.07022	7.7
107.04992	0.9
107.08585	5.9
107.47600	0.7
109.02881	0.8
109.06506	7.5
109.10150	37.5
110.01286	3.0
110.06019	0.7
110.07166	2.8
110.10476	1.0
111.04465	0.5
111.07937	4.5
116.00273	0.7
116.48161	2.5
116.98616	2.2
119.01823	4.7
119.04951	2.0
121.52062	1.3
123.04420	23.2
123.08072	5.3
123.11714	4.8
124.04771	1.1
124.07628	1.2
128.02316	6.0
130.52606	1.5
133.02844	1.0
133.06525	1.4
133.10106	4.6
134.06013	0.6
134.99666	1.8
137.02832	1.6
139.53110	2.6
146.99692	1.4
151.02834	1.5
151.03912	13.3
151.05072	0.8
151.07533	8.6
151.08675	0.9
151.09836	2.7
151.11186	15.4
151.12334	1.0
151.14806	8.0
152.01593	1.1
152.04375	1.2
152.07043	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	151.148
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03925	1.0
55.01870	1.3
55.05505	6.4
56.96568	2.8
57.07074	1.4
65.03938	2.7
67.05500	81.1
68.05848	1.1
69.03433	1.0
69.07062	5.1
69.63277	0.5
71.60662	0.7
73.02905	1.0
74.09710	0.5
79.05489	5.0
81.03423	1.2
81.07053	48.0
82.07398	0.7
83.08607	1.1
89.06028	0.9
91.05486	3.5
93.07045	8.5
95.04961	3.8
95.08601	100.0
96.08186	0.5
96.08932	1.9
98.01261	0.8
98.97592	0.6
105.07021	6.3
107.01762	0.5
107.08568	3.8
109.06519	7.4
109.10149	53.4
110.01273	0.6
110.06041	0.9
110.10480	1.1
116.98604	1.1
119.01803	2.6
119.51878	0.6
121.52057	0.9
123.04432	4.6
123.08064	2.7
123.11689	2.2
124.03955	0.6
124.07611	0.8
128.02293	2.5
130.52565	1.2
133.06485	1.5
133.10121	2.4
134.99641	0.8
137.02876	0.6
139.53078	1.4
146.99600	0.7
151.02815	1.9
151.03885	5.6
151.05937	0.6
151.07506	4.5
151.08585	0.7
151.11160	5.8
151.14819	12.6
152.01601	2.2
152.07022	3.3
152.15213	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1481
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.00291	0.6
54.67159	0.7
55.05515	4.4
57.03422	0.5
57.07073	14.8
65.03928	1.1
67.05502	30.1
69.07066	9.7
70.08110	2.8
70.08379	0.6
70.57508	0.6
71.08627	5.6
75.04536	0.5
79.05482	4.0
81.07052	39.1
82.07374	1.0
83.08612	2.8
91.05472	2.6
93.07046	5.3
95.04973	2.5
95.08602	100.0
96.08931	2.4
97.20691	0.6
105.07025	4.5
107.08588	4.8
109.06522	8.6
109.10150	88.7
110.10479	2.4
111.07948	0.8
113.16943	0.5
121.10136	1.0
123.04448	3.5
123.08057	5.9
123.11697	9.5
133.10143	1.9
135.57961	0.6
136.08846	5.5
140.26349	0.5
151.03886	2.0
151.11174	82.3
151.14806	30.0
151.16046	1.2
152.11502	4.1
152.15166	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
51.02388	0.3
53.03937	0.6
55.01862	0.9
55.05510	2.7
56.96555	0.7
57.03435	0.7
57.07058	0.8
58.48293	0.3
59.04994	1.1
65.03928	0.7
67.05504	7.7
68.05038	0.5
69.03420	1.3
69.07072	2.1
70.86104	1.0
73.02894	0.4
79.05495	4.0
81.03394	0.4
81.07059	12.5
83.04984	0.6
90.62366	0.3
91.05476	3.4
93.07049	4.3
95.04965	5.3
95.08602	5.3
97.06511	0.8
97.07672	0.5
98.01308	0.3
98.97619	0.4
103.05476	0.6
105.07032	8.2
107.04981	0.4
107.08595	5.4
108.05725	0.8
109.06520	10.9
109.10159	7.9
109.10913	0.5
110.01278	0.4
110.07157	0.9
111.07948	1.9
116.98615	0.4
118.07792	0.4
119.01772	0.9
121.06470	0.6
121.10123	2.1
122.07269	0.5
123.04425	21.4
123.08066	7.6
123.11698	4.0
124.04776	0.8
128.02327	1.2
131.08531	0.6
133.06461	0.3
133.10133	4.2
134.07117	0.3
136.08824	2.0
151.02730	0.7
151.03906	8.9
151.07649	3.4
151.11177	100.0
152.04282	0.6
152.07022	0.8
152.08134	0.4
152.11530	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	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03941	1.1
55.01855	1.4
55.05500	2.5
56.96548	1.0
57.03421	1.1
57.07060	1.2
59.05000	0.6
60.96189	0.5
65.03921	1.0
67.05500	9.5
68.05016	1.1
69.03417	2.2
69.07035	1.2
69.51293	4.3
71.04984	1.6
79.05485	5.0
81.03407	0.9
81.07054	28.9
82.07387	0.6
83.04942	0.6
83.06104	0.9
91.05479	9.9
92.12721	0.6
93.06469	1.0
93.07042	18.7
93.07629	0.9
94.07375	0.7
95.04961	9.6
95.08608	5.9
97.06515	0.8
105.07028	13.0
107.04932	0.7
107.08591	9.1
109.06518	16.5
109.07623	0.7
109.10154	7.8
110.07207	1.1
110.10533	0.5
111.07955	2.9
119.01792	0.8
119.04940	1.3
121.10128	2.5
123.04422	36.5
123.08060	9.7
123.11703	9.2
124.04758	1.2
124.07599	0.5
124.08657	1.0
131.08531	0.7
132.26997	0.5
133.06439	0.8
133.10118	13.1
133.11075	0.9
136.08839	1.3
151.03903	16.0
151.05087	1.1
151.07594	5.8
151.11172	100.0
152.07066	0.9
152.08176	1.0
152.11572	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	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03934	2.2
54.79593	1.1
55.01859	4.4
55.05509	5.8
56.96554	1.2
57.03420	2.9
57.07064	2.1
59.04984	1.5
60.75280	1.1
65.03918	3.4
67.05502	41.6
68.05029	1.8
69.03429	5.8
69.07055	4.8
71.04974	4.3
71.33176	1.5
79.05062	1.7
79.05491	25.9
81.03406	4.5
81.07051	51.4
82.06558	1.3
83.04962	5.5
83.06088	1.4
85.06528	2.5
91.05478	41.7
93.07037	32.1
95.04961	22.1
95.08598	19.4
97.06516	2.4
98.01261	1.1
103.05485	1.6
105.07027	68.4
106.07346	1.6
106.16505	1.2
107.04952	2.3
107.08591	61.6
108.08925	1.9
109.06515	24.1
109.07621	1.6
109.09451	1.9
109.10151	20.3
110.07191	2.7
111.07959	6.2
119.01740	1.4
119.06029	1.6
121.06470	1.5
123.04424	59.3
123.08064	19.7
123.11697	11.6
124.04751	3.0
128.02357	2.1
131.08534	3.2
133.06494	6.4
133.10124	48.6
134.10443	3.4
136.08821	2.3
151.02739	1.6
151.03918	24.9
151.07555	16.2
151.09938	4.3
151.11171	100.0
152.01619	1.4
152.08058	1.8
152.11539	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	151.1117
Annotation	CARVONE
Peak:m/z	Relative Intensity
53.00298	0.9
53.03941	4.4
55.01855	3.3
55.05508	83.9
56.05840	1.2
56.96565	6.1
57.03410	2.6
57.07069	1.5
59.04984	3.2
59.06121	0.9
61.02919	0.8
65.03939	6.3
66.03507	1.0
67.02961	0.7
67.05499	27.1
68.05010	5.3
68.95306	0.9
69.03437	3.6
69.04536	1.3
69.07070	4.7
70.06564	2.2
71.04981	1.7
71.59668	0.7
73.02902	1.6
74.97619	0.6
79.05062	0.9
79.05489	11.8
80.05007	1.5
80.05769	0.8
81.03405	3.0
81.04530	1.1
81.07052	42.9
82.06561	2.0
83.04969	1.9
83.06099	2.7
83.08598	1.0
84.05605	0.8
85.02895	1.8
87.05552	0.9
89.06017	1.8
91.04980	1.6
91.05482	19.7
92.05823	1.3
93.07041	17.8
94.06566	1.9
95.04962	30.4
95.06074	1.6
95.08601	11.7
96.01512	0.9
96.08122	1.7
97.02889	1.4
97.06525	15.4
97.07629	2.5
98.01302	0.9
98.97574	2.0
100.89371	0.8
101.00806	0.8
103.05484	1.0
105.03371	0.9
105.07020	20.5
106.06506	1.1
107.04942	1.4
107.06085	1.2
107.08583	22.0
108.02091	2.1
108.05733	1.2
109.06516	16.3
109.07627	6.3
109.10147	27.6
110.01252	2.8
110.06070	1.0
110.07196	8.1
110.08443	1.0
111.04443	1.0
111.07948	12.2
111.09241	1.5
112.09996	1.2
116.98595	1.9
119.01791	5.4
119.04946	2.9
121.06390	0.8
121.10139	2.2
123.04420	100.0
123.08044	10.8
123.09013	1.2
123.11691	15.0
124.03976	1.2
124.04700	5.1
124.07623	1.0
124.08685	2.1
128.02327	4.0
131.08617	1.0
133.02841	1.8
133.06514	1.4
133.10129	16.9
134.06070	1.3
134.07094	1.8
135.09149	1.1
136.08781	1.5
139.53102	1.2
141.05467	3.3
146.99606	1.7
151.03902	66.9
151.04973	4.5
151.07533	9.7
151.08644	1.9
151.09784	5.7
151.11160	33.8
151.97429	3.0
152.01665	2.7
152.04297	2.6
152.07047	5.5
152.08177	2.9
152.11784	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	151.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01851	3.2
55.05489	1.8
56.04820	0.7
56.05030	6.9
56.83221	0.7
56.96299	1.5
56.96561	23.6
57.03430	8.9
57.05369	4.7
58.85161	0.8
59.04999	1.1
61.01134	2.2
61.02927	5.6
61.62551	0.7
62.01477	1.3
63.00710	2.1
65.03930	2.8
66.89810	0.7
67.05169	0.8
67.05497	9.5
68.04984	0.9
68.53353	0.6
69.03437	5.5
69.07059	1.3
69.36648	6.8
71.04993	1.8
73.02911	11.5
74.02398	0.8
74.97598	1.3
75.04450	0.9
77.00831	1.1
79.05474	5.6
80.05017	0.7
81.03410	4.7
81.07043	8.5
83.00755	2.5
84.96031	1.0
85.02893	7.1
87.02657	0.8
87.04465	1.9
89.00747	2.3
89.06033	2.1
90.01550	3.8
91.05042	0.8
91.05488	7.6
92.01291	2.4
93.05752	0.8
93.07040	8.8
95.00768	1.8
95.01337	1.5
95.04958	12.7
95.08595	6.9
96.01537	4.4
96.04450	1.0
96.08133	0.8
97.00516	1.0
97.02874	6.1
97.99165	1.6
98.01283	6.0
98.20781	1.6
98.97582	9.6
99.02029	0.9
99.04438	1.6
100.02447	2.1
101.00735	3.1
101.02530	1.3
101.52324	1.3
102.02265	1.2
102.05524	1.6
104.01257	3.9
104.05286	1.0
105.02061	2.2
105.03368	0.8
105.05681	4.1
105.07012	10.6
106.04872	2.2
107.01816	3.4
107.04942	1.5
107.08577	6.0
107.52287	0.7
109.02825	1.3
109.06511	9.7
109.10154	4.1
109.52091	1.2
110.01273	13.6
110.06026	9.5
110.51378	1.0
111.04391	0.9
113.01779	0.9
115.52055	1.2
116.00200	1.5
116.98614	10.0
118.03501	1.7
118.52641	0.9
119.01799	23.1
119.03603	1.0
119.04924	1.5
121.01637	0.9
121.52015	1.5
122.05994	1.7
123.04418	22.1
123.08055	7.7
123.11677	2.9
123.53562	1.4
124.03893	1.2
124.04707	0.9
124.07568	1.1
125.04608	1.0
127.03912	1.8
128.02316	18.8
128.52490	1.9
128.98586	3.1
130.52560	3.6
133.02768	1.7
133.06485	2.2
133.10124	3.6
134.03529	3.4
134.06003	1.4
134.99644	11.2
135.02895	0.8
135.04285	0.9
137.02852	8.9
139.53093	7.6
140.00168	2.1
140.98491	0.9
141.05551	0.9
142.03479	1.4
143.03625	1.4
144.03177	1.3
146.99649	6.6
147.01357	0.9
148.53629	0.9
151.02791	3.5
151.03896	14.6
151.04993	1.5
151.06242	1.7
151.07524	10.2
151.08638	1.6
151.11165	9.2
152.01669	1.7
152.07045	100.0
153.00638	1.0
158.01277	3.5
158.99663	1.3
161.02916	1.4
162.99155	1.2
165.00650	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	151.0388
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
50.09911	0.2
53.03934	0.7
54.03460	0.2
55.01863	1.3
55.05498	0.5
56.96556	2.4
57.03421	1.1
57.07051	0.7
61.02908	0.5
65.03930	1.3
65.75725	0.3
67.05500	9.7
68.05009	0.9
68.95275	0.8
69.03424	1.5
69.07056	0.7
70.09091	1.3
73.02905	0.6
79.05481	1.7
81.03403	0.8
81.07047	5.9
83.06099	0.4
85.02901	0.8
89.06025	0.7
89.49628	0.2
90.96773	0.4
91.05459	2.5
93.07041	3.1
95.04961	12.2
95.08051	0.4
95.08604	5.8
96.01537	0.6
96.08151	0.3
96.08901	0.3
97.02881	0.3
98.01283	0.5
98.97565	1.1
104.01261	0.5
105.03362	0.4
105.07023	3.6
106.07338	0.4
107.04934	0.4
107.08578	2.3
107.47613	0.5
108.05723	0.3
109.02888	0.5
109.06522	3.2
109.07643	0.5
109.10144	3.8
110.01287	1.4
110.06045	0.3
110.07169	1.5
111.07952	3.4
112.60443	0.2
115.94332	0.2
116.48150	0.8
116.98614	1.2
119.01799	2.4
121.52120	0.3
121.64796	0.2
123.04417	100.0
123.08025	2.5
123.11672	1.4
124.04742	3.7
124.08659	0.6
125.53316	0.3
128.02286	2.0
130.52560	1.0
133.02826	0.6
133.06448	0.6
133.10117	1.6
134.99648	0.7
137.02824	0.9
139.53088	0.8
146.99632	0.6
150.39206	0.3
151.03893	38.3
151.07518	4.5
151.09769	2.7
151.11165	4.8
151.14798	0.8
152.01596	0.8
152.04311	1.6
152.07019	0.9
153.00710	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0913
Annotation	Isogentialutine
Peak:m/z	Relative Intensity
53.03938	0.9
55.01857	1.1
55.05496	1.4
56.05013	0.6
56.96547	1.3
57.03423	1.2
60.28001	0.4
61.02914	0.3
62.38208	0.3
65.03933	1.5
66.04259	0.9
67.05500	6.3
68.05007	1.1
69.03423	5.8
69.07063	0.4
70.07310	1.0
73.02892	0.3
79.05484	6.4
80.05008	1.1
80.06268	0.5
81.03413	0.6
81.05780	1.3
81.07052	6.8
82.06570	0.6
83.00772	0.4
83.04938	0.4
83.06089	0.5
84.08147	0.4
85.02888	0.6
89.05988	0.3
90.01529	0.4
91.05482	5.5
92.05013	0.7
92.05749	0.5
92.06290	2.8
93.03431	0.4
93.05775	3.1
93.07037	4.7
94.06565	5.2
94.07364	0.6
95.04962	5.1
95.06102	0.5
95.08606	6.0
96.01511	0.6
98.01334	0.3
98.97582	0.6
103.05466	1.3
104.07085	0.4
105.03407	0.3
105.07021	16.4
106.06558	4.0
106.07274	0.7
107.07331	26.7
107.08562	2.6
108.07591	0.7
108.08246	0.5
108.08922	0.8
109.02884	0.4
109.06509	7.4
109.07632	1.7
109.10136	2.0
110.01276	0.8
110.07143	1.2
110.08395	2.6
111.04454	0.3
111.07940	3.3
116.29208	0.4
116.98611	0.7
117.05756	2.7
119.01807	1.6
119.04940	0.4
120.08090	1.3
121.02827	0.4
121.06470	0.7
121.08894	3.7
122.03197	2.0
122.06073	1.7
122.09660	34.9
122.10404	1.3
123.04417	29.2
123.08059	5.2
123.09032	0.5
123.09995	2.2
123.11674	1.9
124.08739	0.5
128.02286	1.5
131.07324	0.7
132.06558	0.7
132.08064	1.9
132.08928	0.5
133.06461	2.0
133.07494	0.7
133.10109	2.1
134.99609	0.4
135.06783	7.9
137.02818	0.9
150.02672	7.0
150.05461	1.5
150.09123	100.0
151.03905	14.0
151.05116	0.7
151.07547	10.8
151.09537	6.4
151.11153	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	149.1324
Annotation	Multifidene
Peak:m/z	Relative Intensity
50.97514	0.8
53.03944	0.9
54.14293	0.8
54.89993	0.9
55.05499	2.7
57.07065	2.8
59.37825	0.8
61.72994	0.8
65.03933	9.4
67.05493	1.1
69.07058	4.9
69.65062	6.2
77.03877	0.9
79.05502	8.6
80.96542	0.8
81.07037	2.4
91.05477	11.1
92.66341	0.9
93.03410	2.3
93.07040	16.7
94.07379	1.3
95.04959	2.6
95.08616	1.2
103.05466	3.4
103.35110	0.8
105.07023	27.6
107.04947	1.2
107.07864	2.2
107.08589	42.5
108.08923	1.9
109.06534	1.7
111.04462	2.4
119.06036	1.1
119.08581	10.2
120.09311	1.5
121.02861	10.9
121.03957	2.1
121.10136	100.0
122.07106	1.1
122.10483	4.4
123.08073	6.4
131.08574	1.6
133.07587	1.6
133.10126	1.2
134.10901	3.6
149.02336	28.5
149.03490	2.1
149.05946	1.2
149.09634	8.6
149.13249	23.0
150.02684	2.0
150.13580	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99527	0.7
53.03939	1.1
55.01862	1.4
55.05500	2.6
57.07063	1.9
65.03937	9.1
67.05492	1.1
69.07068	3.5
69.44650	3.4
69.45078	2.8
77.76144	0.6
79.05488	8.3
81.07045	1.6
91.05486	11.0
93.03385	2.8
93.07042	14.5
93.39147	0.7
95.04945	1.7
103.05482	3.3
105.07023	24.8
107.08591	36.8
108.08896	1.3
109.06490	3.1
111.04434	2.7
115.65646	0.7
119.06110	0.9
119.08567	8.2
120.09365	1.4
121.02855	11.4
121.03934	2.0
121.06472	1.4
121.10136	100.0
122.10452	4.8
123.08057	5.9
125.77052	0.7
131.04901	2.0
131.08565	0.8
133.07588	1.3
133.10118	1.5
134.10934	1.9
138.53758	0.6
149.02336	28.4
149.06015	1.4
149.09619	6.7
149.13255	21.0
150.02687	1.7
150.10127	1.1
150.13603	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03947	4.0
55.01863	1.9
55.05507	3.6
57.03428	2.3
57.07089	2.4
63.41945	1.5
65.03935	17.9
67.05489	3.0
69.07073	11.0
69.31628	3.3
69.32042	14.8
73.62445	1.6
79.05495	19.3
81.07071	8.4
81.65649	1.5
91.05475	33.7
93.03413	4.7
93.07038	64.1
93.07630	3.5
94.07389	1.7
94.10128	1.6
95.04966	7.0
103.05447	5.9
105.07028	25.2
107.04951	75.3
107.08588	42.4
108.05294	3.9
108.08901	1.6
109.06552	1.9
111.04436	5.4
115.05453	2.8
116.06228	6.4
119.08582	6.4
121.02859	27.1
121.03954	4.4
121.06501	6.5
121.09314	3.2
121.10141	50.0
122.10482	1.8
123.08088	3.5
129.07028	4.2
131.04907	4.3
131.08565	18.0
149.02338	64.5
149.06018	2.3
149.09612	100.0
149.13266	22.2
150.02681	3.5
150.10031	6.4
159.36562	1.6
167.03380	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	149.0961
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03936	2.1
65.03922	6.2
69.03430	2.6
69.71970	10.6
71.10608	1.6
77.66338	1.4
79.05482	12.9
81.07053	2.1
91.05482	40.2
92.05772	2.0
93.07037	26.8
95.04955	4.9
103.05444	6.4
105.06358	1.2
105.07024	30.1
107.04990	1.8
107.08564	3.2
109.06494	5.6
111.04398	2.3
115.05441	4.8
116.06237	13.6
119.08572	5.8
121.02846	9.7
121.03753	1.2
121.06492	13.8
121.09319	2.8
121.10136	34.8
122.10480	2.1
123.08067	6.7
129.07030	4.4
131.04932	2.3
131.08548	24.2
133.07573	1.7
134.07251	4.3
146.33643	1.8
147.08006	3.2
149.02333	22.4
149.09615	100.0
150.10054	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	149.0961
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
52.51772	0.7
53.03931	2.5
55.01866	1.7
55.05504	1.9
56.50414	0.7
65.03935	12.0
66.04269	0.7
67.05500	1.1
69.03417	0.9
69.07068	1.4
71.21072	1.7
71.21423	1.0
79.05492	13.5
81.07046	2.0
91.05484	17.0
93.03406	3.5
93.07040	29.4
95.04971	4.6
103.05477	5.5
105.07024	22.1
106.07803	2.4
107.04942	1.3
107.08590	7.4
109.06528	0.8
110.08422	1.7
111.04439	4.3
115.05442	1.4
116.06221	2.2
119.08606	3.7
121.02863	20.1
121.03962	3.2
121.06459	4.0
121.10134	20.0
122.03192	0.8
123.08071	2.9
125.25922	1.0
129.06993	1.4
131.04904	2.2
131.08562	2.3
149.02338	49.3
149.05960	2.0
149.09613	100.0
149.13217	2.7
150.02715	3.9
150.10037	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	149.096
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03941	1.9
55.05497	2.4
57.03414	1.4
65.03935	4.8
67.05479	1.3
69.07059	2.9
69.28864	0.7
70.01830	4.2
79.05486	15.3
81.07046	3.3
91.05476	17.9
92.05807	1.3
93.03398	1.9
93.07038	36.1
94.07399	1.1
95.04928	4.1
103.05449	4.9
105.07028	22.1
106.07855	1.6
107.04948	32.7
107.08589	16.5
108.05289	1.0
108.08924	1.4
109.06528	0.9
109.07585	0.8
110.08434	0.9
111.04458	0.9
116.06245	3.7
119.08575	4.9
120.08951	0.9
121.02858	7.0
121.03938	1.5
121.06493	2.8
121.10136	28.0
122.10464	0.9
123.08049	2.3
131.04903	1.9
131.08562	9.1
133.07596	1.1
149.02338	17.2
149.05931	2.7
149.09610	100.0
149.13234	7.2
150.09982	6.7
152.17732	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0596
Annotation	cis-Cinnamic acid
Peak:m/z	Relative Intensity
51.02376	0.6
53.03938	2.0
55.01870	5.4
55.05516	0.8
56.96561	1.7
57.03435	0.8
59.06114	0.5
60.04527	0.6
61.01150	0.7
61.02913	0.7
61.50965	0.4
65.03934	25.7
67.05498	0.6
68.05016	1.0
68.99785	1.0
71.52319	1.0
73.02927	0.7
74.02437	1.5
74.06110	0.5
77.03914	0.6
79.05491	16.4
80.05004	0.6
80.05828	0.5
81.03441	0.6
81.07066	0.5
83.04975	0.7
83.06104	0.6
85.02894	1.1
85.04028	2.1
86.08442	0.6
88.07654	0.7
91.05472	9.2
93.03397	8.0
93.07039	19.2
94.06560	1.8
94.07341	0.6
95.04973	5.3
95.06066	0.8
96.37073	0.5
96.56222	0.5
98.03672	1.5
99.52586	0.5
101.02360	0.5
102.01934	0.7
103.03996	1.3
103.05463	68.2
104.05753	3.0
105.03395	0.6
105.04499	1.1
105.07050	2.4
106.06525	0.5
107.04955	11.1
107.06073	0.6
107.08600	1.4
108.04465	0.7
109.07625	2.0
110.08441	2.4
111.04449	7.4
119.05011	0.5
120.04449	0.5
121.02863	40.3
121.03964	6.7
121.05642	1.0
121.06494	17.0
121.10120	1.0
122.03165	1.4
122.06030	1.2
122.07100	0.9
123.07957	1.1
123.09186	1.6
123.54414	0.5
126.59474	0.9
131.04918	32.4
132.05289	1.1
133.05048	0.6
149.02336	100.0
149.05975	17.7
149.07019	1.0
149.08215	1.2
149.09550	2.8
150.02689	4.4
150.03798	1.1
150.05322	2.3
150.06541	1.1
150.07735	1.2
150.09116	0.8
150.10216	3.6
167.03381	2.8
167.05531	1.1
169.03481	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	148.0756
Annotation	3,4-Dimethylphenyl isocyanate
Peak:m/z	Relative Intensity
53.03944	9.3
55.01860	2.1
63.76834	1.4
65.03941	23.5
67.05482	1.8
69.36193	13.0
77.03900	1.4
79.05494	20.0
80.05025	8.9
81.07050	1.5
84.04497	4.9
90.04703	1.5
91.05475	30.5
92.05000	3.9
92.05840	6.5
93.03403	6.0
93.05781	4.5
93.07036	31.0
94.06530	1.9
94.07397	1.5
95.04962	14.5
103.05460	40.0
104.04979	2.5
105.04556	2.1
105.05788	7.4
105.06997	7.4
106.06641	1.5
106.07355	4.9
107.04981	2.8
107.08582	4.6
110.06041	1.7
111.04427	5.1
113.21089	1.5
116.06248	2.1
118.06541	8.1
118.07265	1.7
119.07315	9.6
119.08588	1.9
120.04479	1.6
120.05268	4.9
120.08110	82.8
120.08902	5.7
121.01993	2.3
121.02856	38.7
121.03941	6.4
121.06502	3.8
121.08418	3.2
121.10151	6.5
130.06516	13.4
131.04903	4.0
131.08536	2.6
133.05196	3.2
148.03813	2.8
148.04851	3.8
148.07559	100.0
148.08522	5.3
148.11987	6.2
149.02335	89.0
149.03268	2.1
149.05942	3.0
149.07979	4.2
149.09593	24.1
149.13271	2.0
167.03392	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	148.0606
Annotation	Glutamate
Peak:m/z	Relative Intensity
50.09014	0.4
55.01854	0.8
56.05028	5.4
56.96545	0.5
57.03426	0.7
59.04982	0.6
61.02913	0.6
65.03947	2.9
67.69030	0.4
68.21564	0.4
69.03413	0.8
69.42992	0.4
69.81059	2.3
73.02905	0.5
83.04987	3.9
84.04497	100.0
84.08142	1.2
85.02898	3.4
85.04264	0.9
85.04819	9.1
85.08472	2.0
86.06053	0.8
88.26173	0.5
93.03397	1.1
98.21416	0.9
100.02473	3.6
100.54198	0.5
101.02370	0.9
102.05530	19.3
103.03214	0.9
103.03892	1.0
105.53444	3.1
111.04439	0.9
112.07606	0.9
114.53963	3.1
118.03510	3.0
121.02837	3.2
121.04016	0.7
123.54510	2.6
130.04991	13.2
130.08688	1.2
131.05377	5.0
133.03476	0.6
142.03546	0.9
145.03494	0.8
148.03917	0.8
148.06041	2.8
148.07948	0.6
148.09679	1.7
149.02322	10.9
149.03450	0.7
151.28152	0.5
153.90216	0.5
156.05045	0.5
167.03326	0.5
168.05106	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Viridiene
Peak:m/z	Relative Intensity
51.02373	1.0
55.05506	5.3
65.03933	8.3
67.05498	2.2
69.07040	2.1
70.54350	4.5
79.05478	3.1
84.04480	4.5
91.05471	100.0
92.05817	5.3
93.07008	2.5
95.04914	1.3
99.72399	0.9
103.05446	3.6
105.07021	43.6
106.07352	1.7
107.08585	6.3
116.06236	1.3
117.06994	10.0
119.04932	92.8
119.08568	81.2
120.05262	6.2
120.08884	3.2
125.56910	1.1
129.06973	2.1
130.04945	1.4
131.08582	2.1
132.09354	4.1
145.10101	6.7
146.12630	1.1
147.04396	60.1
147.08029	7.6
147.11674	57.5
148.04764	4.1
148.08611	1.9
148.12012	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	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03928	1.7
55.05505	8.2
58.36917	1.3
58.85371	1.3
65.03921	3.3
69.07051	2.1
69.94141	8.3
73.68968	1.3
79.05486	4.7
84.04494	3.3
87.05569	1.7
91.05476	64.5
92.04964	1.3
92.05802	1.8
92.41575	1.2
93.07027	3.8
95.04959	2.5
98.20948	2.5
103.05470	3.9
105.07026	67.0
106.07352	3.3
107.04955	2.1
107.08577	6.6
116.06200	2.0
117.07008	11.8
119.04942	43.4
119.08575	100.0
120.05257	1.9
120.08899	4.6
123.16862	1.4
129.06999	3.6
131.08522	3.4
132.09308	5.0
145.10103	8.6
147.04419	31.8
147.05492	2.9
147.08055	14.4
147.11682	80.5
148.03906	3.5
148.08594	1.4
148.12025	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	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03926	1.9
55.05310	1.0
55.05505	11.8
65.03927	3.7
67.05478	3.9
67.21062	1.1
69.07053	4.7
72.56232	1.3
79.05470	5.3
80.08547	1.2
81.07073	2.0
82.44402	1.2
84.04472	2.8
91.05473	71.2
92.05779	2.9
93.07044	3.0
103.05445	4.1
105.07020	100.0
106.07346	3.7
107.08573	3.6
116.11650	1.1
117.07007	7.4
119.04934	45.0
119.08568	91.4
120.04427	1.5
120.05238	2.9
120.08923	3.4
123.96479	2.0
124.32948	1.3
132.09334	3.5
145.10103	8.3
147.03233	1.7
147.04407	33.5
147.05460	1.9
147.08043	4.6
147.11670	70.7
148.03767	1.8
148.04814	2.4
148.12042	4.4
169.52939	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0804
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
51.64865	0.3
53.03926	0.4
55.01866	1.3
65.03945	0.4
69.03407	1.1
69.52067	0.7
69.52470	1.9
79.05492	1.2
83.88419	0.2
91.05475	21.0
92.05817	0.7
93.07022	0.8
95.04983	0.4
98.20798	0.6
103.05448	1.5
104.06229	1.0
105.07029	1.3
107.04213	0.4
107.04939	7.2
110.10488	0.3
115.05441	0.5
117.07006	7.4
118.07332	0.3
118.65257	0.2
119.04939	1.3
119.08573	34.2
120.08889	1.3
128.06235	1.7
129.06992	4.6
131.04941	1.6
132.05698	20.0
133.06024	0.8
145.06467	1.4
147.08034	100.0
148.08371	4.7
148.85603	0.3
163.28177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.0
55.05506	5.3
65.03933	8.3
67.05498	2.2
69.07040	2.1
70.54350	4.5
79.05478	3.1
84.04480	4.5
91.05471	100.0
92.05817	5.3
93.07008	2.5
95.04914	1.3
99.72399	0.9
103.05446	3.6
105.07021	43.6
106.07352	1.7
107.08585	6.3
116.06236	1.3
117.06994	10.0
119.04932	92.8
119.08568	81.2
120.05262	6.2
120.08884	3.2
125.56910	1.1
129.06973	2.1
130.04945	1.4
131.08582	2.1
132.09354	4.1
145.10101	6.7
146.12630	1.1
147.04396	60.1
147.08029	7.6
147.11674	57.5
148.04764	4.1
148.08611	1.9
148.12012	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	147.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
64.92806	1.0
65.03919	1.4
69.03424	1.3
69.49259	1.1
69.49672	3.6
79.05479	1.7
84.04483	1.1
91.05476	31.2
92.05801	0.7
93.07065	1.1
94.80908	0.4
95.04964	0.7
98.21535	0.9
103.05472	2.4
104.06258	0.6
105.07024	4.2
107.04945	7.8
115.05380	0.7
117.07012	7.5
119.04936	9.3
119.08572	35.0
120.08881	1.3
121.38388	0.5
123.96441	2.2
128.06186	1.2
129.07001	4.5
131.04926	1.3
132.05698	16.3
133.05971	0.7
134.08165	0.4
145.06462	0.8
147.04390	7.9
147.08032	100.0
147.11751	2.4
148.03891	1.2
148.07378	0.5
148.08406	4.5
154.72536	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0804
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
53.03937	0.5
54.76731	0.4
54.85230	0.4
55.01866	1.4
58.03689	0.4
58.70342	0.4
65.03935	0.7
69.03419	1.0
71.12020	0.4
71.12364	1.0
78.91088	0.4
79.05479	1.6
91.05480	28.6
92.05792	0.5
93.07051	0.5
103.05457	1.4
104.06257	1.1
105.07036	2.8
107.04956	6.5
112.59623	0.4
115.05403	0.5
115.62102	0.4
117.07021	6.7
119.04943	5.4
119.08577	33.3
120.08897	1.3
123.96423	1.2
125.21361	0.4
128.06247	2.1
129.07024	3.8
131.04912	1.5
132.05702	18.4
133.06055	1.1
145.06519	0.9
147.04440	4.6
147.08041	100.0
147.11702	1.6
148.08395	5.0
148.69026	0.5
162.98917	0.5
164.81821	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0763
Annotation	D-Glutamine
Peak:m/z	Relative Intensity
56.05034	4.0
60.04504	0.2
69.03435	0.3
70.06585	0.4
70.53534	0.5
81.03419	0.2
84.04499	100.0
84.08129	2.5
85.02898	1.8
85.04232	0.3
85.04839	1.2
85.06533	0.4
88.03999	0.4
91.05479	0.8
97.02908	0.2
101.07146	2.3
102.05535	10.7
119.04909	1.2
130.04996	32.3
130.08630	0.8
131.05336	0.6
142.96628	0.2
147.04366	0.6
147.07642	1.2
147.09555	0.2
148.06059	1.3
149.33429	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	2.6
65.75447	2.7
71.34299	4.5
71.34637	3.4
80.61292	2.5
101.00896	14.0
104.48708	3.0
118.03469	7.1
119.01910	100.0
120.02087	3.7
136.04590	5.9
137.02956	57.0
142.03476	48.2
143.03403	4.5
160.04549	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	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.30799	0.6
55.05507	1.5
65.03933	6.6
65.36099	0.5
69.07053	0.8
70.06918	0.5
70.07257	3.1
70.47411	0.5
76.19887	0.5
82.67955	0.6
84.04500	1.6
91.05476	80.7
92.05784	3.2
92.15694	0.5
98.20895	1.0
98.21445	0.8
103.05462	0.5
105.07030	9.5
115.00568	0.5
117.06972	0.9
119.04935	100.0
119.08575	12.4
119.57941	0.6
120.05257	4.3
123.96437	0.7
135.49263	0.6
145.10155	0.8
147.04402	62.1
147.08015	2.0
147.09125	0.9
147.11685	8.5
148.04799	2.8
148.08640	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	2.9
53.03944	1.5
54.03455	0.9
55.01870	3.8
55.05512	2.6
56.03782	0.6
56.05030	3.3
56.96293	0.4
56.96564	6.9
57.04543	0.6
58.06580	0.6
59.06103	1.0
65.03934	9.7
67.01845	1.3
67.02986	0.5
67.05497	3.5
68.05033	0.6
68.99787	4.3
69.03430	1.8
69.07052	0.8
69.36867	0.3
70.06578	0.8
71.01334	0.7
71.06090	0.8
71.95258	0.4
72.04513	0.4
79.05492	1.6
80.04982	0.3
81.04530	1.1
81.07054	1.5
82.02922	0.5
82.06583	0.5
83.04977	5.0
83.06087	2.4
84.04498	1.2
91.03541	0.3
91.05475	2.3
93.03400	5.2
93.07043	6.3
94.06568	0.4
95.04969	4.2
95.06078	1.6
95.08591	1.0
96.05623	1.7
97.02893	1.4
97.06503	1.7
97.07629	0.8
98.07174	4.1
98.20755	1.0
98.72469	0.3
98.97572	7.5
98.98462	1.2
99.05596	1.4
103.05440	0.4
105.04482	0.4
109.06530	0.3
111.04436	21.6
111.08045	1.4
112.04743	0.6
112.07533	0.4
112.08710	0.9
113.07117	0.7
116.97256	0.4
116.98607	9.1
121.02853	5.0
121.06492	2.6
121.10141	0.8
122.06318	0.3
122.07114	2.1
123.05563	2.6
123.09191	0.3
134.99651	9.8
139.03893	100.0
139.07513	3.9
139.08647	0.7
139.09743	2.9
139.11163	1.0
139.12283	1.0
140.03406	0.3
140.04253	3.8
140.07065	0.5
140.08165	4.8
153.00658	2.0
153.52312	0.3
153.53642	0.3
158.01176	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0389
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03929	1.7
53.32016	0.4
54.03485	0.5
55.01874	4.4
55.05513	2.5
56.05018	1.9
56.96566	3.6
59.05000	0.4
59.06105	0.8
65.03934	9.3
66.04305	0.6
67.01859	3.3
67.05502	5.5
68.99782	5.9
69.03416	2.0
69.07041	0.5
70.73737	1.1
71.01344	1.1
71.06096	0.5
73.62360	0.4
78.08699	0.4
81.04529	0.6
83.04982	5.0
83.06086	1.3
84.04488	0.7
93.03401	8.0
93.07090	0.6
95.04950	1.8
95.06067	0.8
96.05642	0.9
97.02895	2.9
97.06449	0.9
98.07143	2.1
98.60971	0.4
98.97576	3.8
98.98155	0.4
98.98458	0.5
99.05574	1.5
111.04435	23.4
113.07111	0.9
116.98615	4.8
121.02833	1.1
122.07168	1.1
123.05563	1.6
132.74748	0.4
134.99641	3.4
139.03894	100.0
139.09772	2.2
139.12344	0.4
140.03342	0.6
140.04230	4.0
140.07184	0.5
140.08167	2.8
146.56616	0.4
147.27710	0.4
150.07076	0.4
153.00758	0.8
159.76602	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0388
Annotation	Sesamol
Peak:m/z	Relative Intensity
50.81646	0.4
53.03934	1.4
55.01871	4.6
55.05512	2.0
65.03938	9.3
67.01865	3.2
67.05503	5.1
68.99438	0.4
68.99790	7.6
69.03406	1.6
70.24348	1.6
71.01331	1.5
79.63583	0.4
83.04975	4.9
92.22373	0.5
93.03398	7.3
94.03757	0.7
95.04977	1.8
97.02869	1.4
98.20808	0.6
111.04436	21.4
112.04765	0.5
121.02853	0.8
139.03891	100.0
140.04236	3.8
141.35941	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03931	2.1
54.03466	0.8
55.01868	5.2
55.05507	2.9
56.05030	1.3
56.96561	8.3
59.05002	0.8
59.06116	0.9
65.03938	15.4
67.01855	2.8
67.05505	6.2
67.54121	0.5
68.99792	7.9
69.03431	4.0
69.07072	0.7
70.06622	0.6
70.57336	1.9
71.01343	1.5
71.04967	0.6
71.06114	0.5
81.04536	0.6
82.89799	0.5
83.04977	6.7
83.06091	1.2
84.04509	0.6
92.16432	0.5
93.03408	9.2
93.07029	1.8
94.06586	0.8
95.04967	3.0
95.06084	1.3
95.08575	0.8
97.02893	2.8
97.06486	1.5
98.07171	5.1
98.97571	5.0
98.98441	1.7
99.00751	0.7
99.05568	1.5
104.27886	0.5
111.04443	34.5
111.08084	0.7
112.04030	0.6
112.04783	1.7
113.07115	0.6
116.97283	0.9
116.98643	5.7
121.02858	1.7
121.10172	1.3
122.07171	2.7
123.05549	2.6
134.99670	5.1
139.03899	100.0
139.09779	2.3
139.11157	1.8
140.04263	3.8
140.08157	4.2
153.00717	1.5
157.54744	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0389
Annotation	Sesamol
Peak:m/z	Relative Intensity
52.51145	0.5
53.03936	1.5
54.49775	0.4
55.01869	3.4
55.05493	1.6
56.96563	0.9
65.03940	8.4
65.53957	0.4
67.01873	3.1
67.05499	5.2
68.16744	0.4
68.99440	0.5
68.99789	6.8
69.03415	1.2
70.89076	1.2
71.01344	1.2
72.81216	0.4
78.05954	0.4
83.04974	5.6
88.90434	0.5
93.03409	8.2
95.04984	2.5
97.02912	2.2
98.07181	0.6
98.71537	0.4
99.00803	0.6
99.05569	0.5
111.04440	20.3
116.98611	0.5
121.02853	1.5
121.42781	0.5
122.07137	0.6
139.03897	100.0
140.04234	3.6
140.08182	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03944	2.4
53.64659	0.7
55.05508	4.4
56.05044	1.0
57.07075	11.8
59.96233	0.6
65.03925	1.7
66.04716	0.8
67.05502	24.5
68.05025	1.9
68.05814	0.7
69.03442	1.5
69.04536	1.1
69.07059	7.4
71.60247	1.1
72.04513	1.6
79.05492	7.3
81.03423	1.4
81.04553	1.8
81.07053	67.3
82.06565	2.6
82.07378	3.0
83.06107	1.6
88.61458	0.6
91.05471	7.4
93.07037	9.1
94.04180	6.0
94.07362	1.1
95.04984	3.4
95.06080	1.8
95.08601	100.0
96.04496	4.5
96.05592	0.8
96.08932	4.9
97.06394	4.9
97.07647	1.5
98.04793	1.5
107.04917	1.5
107.08574	0.9
108.09373	0.9
109.06528	5.3
109.10146	12.2
110.06020	2.0
110.07182	4.4
110.10476	0.9
111.05550	2.2
119.04915	1.2
119.08565	1.5
120.04494	1.2
120.05589	1.7
121.06549	0.7
121.07660	1.0
122.03638	9.7
122.07280	6.0
137.02484	5.4
137.03482	1.0
137.05977	27.6
137.06953	1.0
137.08055	3.0
137.09619	13.4
137.10684	0.8
137.13248	19.4
138.01736	1.7
138.05496	9.0
138.06577	5.8
138.09126	1.7
138.10188	3.0
138.13562	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03934	0.9
55.05490	1.2
58.30104	0.6
67.05500	19.6
68.05846	0.8
69.03402	1.1
69.07048	0.9
71.10799	1.8
71.58150	0.6
75.24915	0.6
79.05486	2.3
81.07053	5.7
82.37698	0.6
91.05475	7.3
93.07033	2.7
94.07827	0.9
94.97463	0.7
95.04957	1.9
95.08604	4.4
103.05490	1.1
107.04949	10.1
107.08547	1.4
109.06513	0.7
109.10148	29.1
110.10454	1.4
117.06993	1.1
119.08578	14.2
121.06503	5.2
122.07278	68.2
123.07610	3.5
126.85561	0.6
135.08026	2.6
137.09607	100.0
138.09955	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	137.096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01852	1.6
55.05498	3.5
57.23249	1.2
65.03932	1.9
65.41551	1.1
67.05499	45.9
69.03413	3.4
69.07037	1.9
69.80542	7.2
79.05475	6.4
81.03396	2.7
81.07049	13.5
82.07372	1.4
87.30164	1.1
88.64076	1.1
90.51305	1.1
91.05479	15.4
93.07034	6.8
94.04183	3.5
95.04964	12.0
95.08606	8.3
103.05449	1.5
107.04946	10.6
107.08589	5.8
108.05717	1.5
109.06511	39.4
109.10149	41.8
110.07141	1.4
110.10480	1.4
119.06080	1.3
119.08562	12.4
121.06473	3.1
122.03604	2.4
122.07273	50.9
123.07587	3.0
135.08119	1.3
137.05992	7.4
137.09604	100.0
138.05450	2.5
138.06453	1.8
138.09967	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	137.096
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03934	3.0
54.61172	0.6
55.01859	1.8
55.05505	4.8
57.31470	0.6
65.03926	2.1
67.05502	42.9
68.05836	0.9
69.03419	2.4
69.07065	1.4
79.05495	5.7
81.03407	2.8
81.07050	15.6
82.07378	0.8
83.04960	2.0
87.86507	0.6
90.27476	0.7
91.05479	17.1
93.07043	6.0
94.04178	2.1
94.07833	1.2
95.04966	10.7
95.08608	6.8
103.05456	0.9
103.96118	0.6
104.06288	0.7
107.04945	10.5
107.08603	3.3
107.52541	0.7
108.05738	1.9
109.06516	41.3
109.10154	39.2
110.06925	1.3
110.10519	1.5
117.07004	2.7
119.06076	1.3
119.08574	12.5
121.06525	3.9
122.03757	0.8
122.07285	51.8
123.07623	2.2
133.92323	0.6
135.08018	2.1
137.02461	1.4
137.06024	3.6
137.09613	100.0
138.09958	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	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02378	0.4
53.03934	1.1
54.03459	1.0
54.77922	0.3
55.01861	0.9
55.05512	0.6
56.03769	0.4
56.05025	1.1
59.06123	0.5
65.03925	1.6
66.03470	0.3
66.04721	2.7
67.05503	3.2
68.05029	1.3
69.03414	0.6
69.04551	2.0
69.07046	0.3
70.02953	0.8
70.06589	0.5
71.60143	0.4
72.04504	1.1
72.08148	0.2
76.69998	0.3
77.03912	0.3
79.02956	0.4
79.05487	4.9
80.05007	0.8
80.05802	0.3
81.03407	1.0
81.04533	6.4
81.07051	4.4
82.04893	0.2
82.06570	1.9
83.06101	2.3
91.05476	6.4
92.05000	0.4
92.05842	0.4
93.04520	0.7
93.07042	3.7
94.04182	23.5
94.06561	1.2
95.04526	0.4
95.04998	3.3
95.06096	1.9
95.08601	3.4
96.04501	0.5
96.05626	2.3
96.06862	0.4
96.08114	0.4
97.04005	0.9
97.06387	5.2
97.07679	1.6
98.04805	0.9
98.08400	0.4
105.03400	0.8
105.04482	0.5
107.04961	1.6
107.08564	0.3
109.02876	0.4
109.06509	3.8
109.07651	1.1
109.10162	2.0
110.06068	1.7
110.07167	5.9
110.07899	0.4
111.04416	0.3
111.05571	3.8
111.09160	0.7
119.04948	1.3
119.06037	0.3
119.08556	0.5
120.04440	0.7
120.05606	2.0
121.02816	0.3
121.03935	0.5
121.06493	0.3
121.07628	0.9
122.03641	41.6
122.07265	2.0
123.03963	2.0
123.06828	0.4
135.04419	0.7
137.02495	3.3
137.05972	100.0
137.08192	7.2
137.09586	4.9
137.10716	1.2
137.13263	0.6
138.01736	0.9
138.05453	2.7
138.06468	6.8
138.09138	1.2
138.10252	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	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.01596	0.2
51.02377	0.3
51.76955	0.2
53.03948	0.5
53.21007	0.2
55.01868	0.5
65.03928	1.0
66.04711	3.0
67.05495	0.6
69.03435	0.2
70.18761	1.0
76.09058	0.2
77.03927	0.4
79.05485	3.0
81.07040	1.5
91.05475	2.9
94.04174	26.4
95.04448	0.4
95.05009	1.0
95.08627	0.4
100.68830	0.2
105.03375	0.6
107.04931	1.2
109.06506	0.7
109.10094	0.2
122.03635	46.3
123.03976	1.9
123.86388	0.2
135.04416	0.4
137.05962	100.0
138.05365	0.5
138.06320	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02382	0.4
52.15082	0.3
53.03944	0.8
55.01882	0.6
55.05506	0.6
57.07059	0.5
65.03940	1.0
66.04711	2.9
66.95837	0.3
67.05499	5.0
68.05036	0.4
69.03453	0.4
69.38561	1.4
69.38994	1.4
72.04517	0.5
74.12665	0.3
77.03902	0.3
79.05486	4.2
81.03416	0.7
81.04549	0.6
81.07050	5.5
82.06583	0.4
83.06081	0.6
88.17105	0.3
91.05473	4.6
93.07038	1.5
94.04177	25.3
95.04489	0.4
95.04980	3.2
95.08598	4.2
97.06368	1.6
98.04807	0.6
104.56433	0.3
105.03374	0.5
107.04947	1.9
107.08537	0.4
109.06497	3.6
109.10144	5.0
109.10828	0.4
110.06062	0.5
110.07183	1.4
111.05556	0.3
111.16710	0.3
119.04961	0.3
119.08549	1.5
120.04480	0.4
120.05569	0.4
121.06532	0.3
121.07649	0.3
122.03638	44.1
122.07272	6.5
123.03956	2.1
135.04411	0.6
135.08070	0.4
137.02528	2.0
137.05963	100.0
137.09583	9.6
137.13255	0.8
138.01730	0.7
138.05426	1.1
138.06363	5.5
138.10115	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.20650	0.3
53.03945	0.5
55.01855	0.8
65.03939	1.1
66.04714	3.0
70.12087	1.4
70.12486	0.6
70.97553	0.3
77.03939	0.4
79.05487	2.7
81.07055	1.4
81.63139	0.3
91.05469	2.6
94.04178	29.4
95.04503	1.0
95.05013	0.6
105.03396	0.6
107.04952	1.3
109.06487	0.6
122.03638	46.4
123.03965	2.1
135.04411	0.5
137.05965	100.0
138.06299	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	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
53.48184	0.1
56.96556	0.4
57.03423	0.3
65.01397	0.1
65.03925	0.2
67.02984	0.1
67.05508	0.1
70.06581	0.1
70.12266	0.3
70.12687	0.2
70.77115	0.1
71.04983	0.1
72.08128	0.1
79.05494	0.1
81.07040	0.3
82.04057	0.1
83.04969	0.1
85.46828	0.1
87.01871	0.1
91.05475	8.7
92.01276	0.1
92.02488	0.2
92.05809	0.2
93.07030	0.1
94.04050	2.3
98.21325	0.1
99.02052	0.1
100.02464	0.3
101.00928	0.1
101.02557	0.1
107.04956	0.2
108.08112	0.3
109.05122	0.4
109.06506	0.4
112.05090	0.4
113.01785	0.1
118.03535	0.3
118.06531	0.2
119.01913	0.7
119.03550	6.0
119.04898	3.0
120.01961	0.1
120.03886	0.1
121.01616	0.1
122.03733	0.1
131.01901	0.7
132.02007	0.1
133.03511	0.1
136.02203	1.1
136.06177	100.0
137.04568	5.1
137.05862	1.7
137.06554	2.0
137.08037	0.1
149.02943	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03930	4.4
55.05509	6.3
56.96549	1.8
57.07056	1.7
60.21496	1.0
65.03924	2.3
67.02969	1.0
67.05490	4.1
68.05013	7.0
69.07050	1.6
69.65057	7.4
79.05486	29.1
81.07044	2.9
82.56872	1.0
84.05770	0.9
89.03896	4.3
91.05473	50.3
92.05804	1.7
93.07035	53.2
94.07312	1.1
94.81006	1.0
95.04950	10.0
95.06078	3.3
96.06868	3.7
98.21488	1.5
103.05414	1.5
105.03288	1.0
105.07021	22.5
107.04943	10.8
107.08584	100.0
108.08216	1.1
108.08915	4.6
109.01095	3.9
109.05829	1.4
109.06493	7.9
109.07642	2.2
115.05443	6.9
117.03359	1.5
117.07001	6.8
119.06055	3.0
119.08566	18.0
120.09376	2.3
122.49621	1.0
133.10097	1.3
135.04393	16.3
135.05487	2.5
135.06616	3.1
135.08044	34.7
135.10855	1.4
135.11673	50.1
136.02150	91.4
136.03900	4.4
136.04999	3.3
136.06174	8.2
136.07527	5.6
136.08649	5.6
136.11105	1.8
136.12038	1.2
137.09581	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03946	5.4
54.03446	0.8
55.01868	1.3
55.05506	9.3
56.96561	0.9
65.03931	0.9
67.05501	4.0
68.05030	4.4
69.07063	6.2
71.60123	1.3
73.53144	0.8
75.79723	0.7
76.03134	0.7
79.05489	31.8
80.05827	1.3
80.76884	0.7
81.07056	4.1
81.72975	0.7
82.06524	0.9
89.03916	11.3
91.05479	40.3
92.05771	1.4
92.06284	1.0
93.04571	0.9
93.07040	64.9
94.07336	1.8
94.07872	1.5
95.04971	11.4
95.06075	2.3
96.06873	3.0
97.29944	0.8
103.05473	1.2
104.06271	0.9
105.04519	1.6
105.07026	18.3
107.04945	10.7
107.08588	100.0
108.08926	2.9
109.01109	2.5
109.06512	8.2
109.07618	1.5
115.05449	2.6
117.03388	4.6
117.06998	3.8
119.06107	3.5
119.08575	20.3
120.09384	4.3
124.05266	0.8
130.53204	0.7
133.10069	0.8
135.04424	19.4
135.06590	1.5
135.08067	15.3
135.11684	42.7
136.02161	48.9
136.06171	3.4
136.07544	2.7
136.08623	4.3
136.12019	2.3
137.09666	1.7
143.97336	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03942	3.4
53.60184	0.5
54.03458	0.6
55.01860	1.1
55.05509	8.7
57.07056	0.7
65.03928	1.9
67.05506	3.4
68.05025	4.8
69.07059	4.2
70.53762	0.7
70.54134	1.8
72.82950	0.5
79.05489	22.9
80.04997	0.6
80.05827	0.9
81.07062	3.8
87.05579	1.2
89.03916	2.4
91.05476	35.3
92.05797	0.7
93.07038	58.9
94.07369	1.9
94.07883	1.2
95.04964	7.3
95.06074	1.4
96.06887	3.3
98.21302	0.9
105.04508	1.5
105.07024	14.0
106.07339	0.7
107.04939	4.8
107.08586	100.0
108.08910	3.5
109.01085	1.7
109.06522	6.4
109.07651	3.3
115.05437	2.4
117.03397	0.8
117.07008	2.4
119.06063	2.1
119.08576	10.3
120.05738	0.6
120.09388	2.6
131.50250	0.6
133.10126	0.9
135.04414	7.5
135.05450	1.1
135.06519	1.3
135.08047	33.1
135.11681	28.7
136.02158	34.2
136.03911	1.8
136.05016	1.2
136.06183	2.4
136.07570	1.6
136.08636	5.1
136.12021	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.97926	1.4
51.69504	1.7
53.03942	4.3
55.05496	8.1
55.90605	1.9
65.03934	2.3
69.07053	4.5
69.60686	7.0
69.61113	6.8
76.36433	1.8
79.05498	17.1
81.07037	1.8
82.51196	1.7
87.05550	2.4
89.03921	2.4
91.05474	43.1
93.07034	44.0
95.04958	7.0
105.04523	1.6
105.07024	23.6
106.87090	1.7
107.04916	2.4
107.08586	100.0
108.08915	4.4
109.06513	8.9
117.07021	4.4
119.06048	2.6
119.08572	19.1
120.09339	3.9
135.04391	5.6
135.08034	7.9
135.11682	37.5
136.02151	15.4
136.04945	1.6
136.11961	2.1
149.69647	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.92165	1.9
55.05502	5.7
67.05515	2.3
68.05024	5.0
69.07024	2.8
70.14857	6.8
70.15265	3.7
79.05477	20.3
83.65240	2.1
87.73701	1.9
89.03891	3.7
91.05474	33.9
93.07035	52.0
95.04964	6.7
95.06080	2.9
96.06873	3.3
98.21364	3.2
105.07008	15.0
107.04926	6.2
107.08591	100.0
108.08955	4.5
109.01113	3.0
109.06514	8.8
109.07594	2.5
119.08575	14.7
119.20119	1.9
119.82767	2.0
120.09364	3.1
135.04401	9.2
135.05348	2.1
135.08047	14.6
135.11681	37.4
136.02159	46.1
136.06122	3.4
136.07600	3.0
136.08650	5.1
142.61493	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0804
Annotation	Isochavicol
Peak:m/z	Relative Intensity
53.03948	2.7
54.03455	1.4
55.01867	2.0
55.05502	4.3
56.96557	1.7
65.03933	5.0
67.05499	4.8
68.05023	9.2
70.06093	2.8
70.06507	2.8
74.01366	1.1
79.05490	47.2
80.05039	1.2
80.05831	1.4
81.07050	1.9
87.05570	2.6
89.03932	5.2
91.05476	65.6
92.05786	2.2
92.06297	1.6
93.04520	1.2
93.07043	25.3
95.04971	8.3
95.06102	3.9
96.06861	6.7
105.07034	24.5
106.07328	1.5
107.04954	14.2
107.08588	77.3
108.04489	1.2
108.08934	2.9
109.01093	5.1
109.06522	10.2
109.07649	4.5
110.06872	1.1
115.05466	6.4
117.03355	1.6
117.07019	5.2
119.06066	4.5
119.08589	11.6
120.09393	2.1
121.01511	1.5
135.04465	14.5
135.05527	3.3
135.08054	100.0
135.11678	21.0
136.02159	85.0
136.03885	2.8
136.04965	1.4
136.06161	6.0
136.07559	3.9
136.08647	10.9
136.12048	1.1
137.09584	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0804
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
57.14028	1.0
65.03931	4.3
67.05490	1.7
69.03434	1.1
70.41155	2.0
70.41533	2.0
79.05486	14.5
83.26106	1.1
91.05477	68.8
92.05775	1.4
92.06277	1.3
93.07021	2.6
94.05417	1.0
95.04973	2.0
97.19695	1.0
105.07024	21.9
106.07404	1.3
107.04967	3.5
107.08588	46.8
108.08918	1.3
109.06522	15.3
109.67023	1.0
115.05451	52.4
116.06267	1.5
117.07015	34.3
118.07340	1.9
119.06069	3.6
120.05727	2.5
133.06471	2.6
135.08047	100.0
136.02161	20.4
136.03133	1.9
136.06169	1.3
136.07530	1.2
136.08391	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	135.044
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
51.02374	0.3
52.21411	0.2
53.03946	2.1
54.03469	0.5
55.01873	0.4
55.05509	0.4
56.96560	0.5
59.06110	1.1
60.04513	1.3
65.03931	0.4
67.05492	0.5
68.05020	2.4
70.10942	0.3
71.59509	0.6
75.05606	2.2
76.03999	0.8
77.03926	0.5
79.05489	26.0
80.04987	0.8
80.05803	0.8
81.04504	0.3
81.07004	0.4
82.06574	0.3
83.06139	0.3
87.05582	6.7
89.03915	3.2
89.87156	0.3
91.05479	6.3
93.04520	0.3
93.05763	0.4
93.06466	0.4
93.07040	6.6
94.06541	0.4
95.04962	6.0
95.06055	1.6
96.06881	1.7
105.04507	1.0
105.07028	1.8
107.04952	15.8
107.08588	8.4
107.61040	0.3
108.05244	0.3
108.08115	0.6
108.08952	0.3
109.01100	0.7
109.06509	0.9
109.07632	2.6
115.05502	0.7
117.03384	1.3
117.07055	0.5
118.06556	0.4
119.06081	0.3
119.08569	0.8
121.01567	0.5
126.01010	0.3
133.02867	2.8
135.04410	100.0
135.08020	3.8
135.11647	3.3
136.02158	22.2
136.03874	0.6
136.04785	3.8
136.06178	4.5
136.07541	1.2
136.08635	3.5
150.78760	0.3
150.95973	0.3
153.05513	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73587	1.2
53.03937	2.6
55.01868	6.0
56.96558	11.0
57.03431	44.3
58.03788	1.7
58.06593	6.1
58.99849	3.7
59.04988	3.7
61.02918	2.2
65.52167	1.2
68.02620	4.1
68.05002	1.9
69.03429	9.2
69.61937	3.7
69.62360	5.2
70.06579	4.3
70.99830	1.6
71.04968	3.5
72.08150	9.8
72.52965	1.6
73.02909	58.5
74.02435	59.9
74.06084	6.3
76.07629	6.2
77.00890	4.2
78.52946	3.8
79.05479	4.1
79.51907	2.6
80.52675	2.0
81.03403	4.7
82.01394	2.4
84.52969	3.0
84.96030	1.7
85.02899	16.6
85.53680	1.3
86.06042	4.0
86.09700	2.2
86.52695	8.2
87.53455	3.0
88.02152	1.8
88.02674	26.9
88.03477	2.6
88.03987	38.1
88.07627	7.1
88.52737	3.4
89.02538	1.8
89.03888	4.0
90.09193	8.1
91.00494	3.3
92.52679	3.5
93.01897	8.5
93.53482	10.5
95.01927	2.8
95.04975	1.4
95.25659	1.2
95.53187	1.7
96.02422	1.3
97.02855	2.5
97.03215	1.8
98.06034	2.8
98.21505	2.1
98.52667	5.5
99.04469	2.3
99.53472	7.5
100.01028	2.5
100.02472	23.1
100.03551	1.4
100.52422	2.6
101.00871	17.0
101.02560	2.3
101.53187	1.6
102.02402	25.1
102.09161	2.0
102.52478	4.1
103.00564	1.5
103.02315	3.3
104.52716	1.8
105.00354	3.0
106.06571	1.3
106.07362	1.2
107.04927	3.3
107.53223	2.0
109.02852	2.2
111.02918	28.8
111.52985	5.5
112.00993	2.1
113.00860	2.9
113.53200	4.1
115.01117	1.2
115.02410	3.1
116.03422	4.2
116.07080	2.7
116.10732	1.3
116.98613	1.3
118.03506	19.5
119.01910	87.7
120.01987	8.8
120.03394	10.9
121.01604	11.1
121.03418	1.4
122.53690	11.1
123.03824	2.7
123.53511	1.5
124.02432	11.2
125.02537	1.3
128.01942	3.2
129.03964	1.6
131.01888	26.1
131.54230	4.3
132.02008	2.9
133.03458	3.3
134.04469	2.5
134.05992	4.1
134.07071	2.3
134.08128	4.9
134.11752	39.8
135.04416	8.2
136.02397	1.1
137.02953	20.4
138.03023	2.2
141.02670	2.6
141.05046	1.3
142.03488	100.0
143.01880	1.4
143.03598	14.2
144.03217	6.6
145.03461	5.1
147.01369	1.9
149.02914	5.7
154.03439	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	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03936	1.5
53.45142	0.2
55.01868	2.2
55.05503	1.5
55.38319	0.2
55.91193	0.2
56.05028	0.4
56.58960	0.2
57.03442	0.3
58.05331	1.4
58.70848	0.2
65.03955	0.3
67.05496	0.5
69.03426	0.6
70.34943	0.3
71.04987	0.4
71.59993	0.4
73.02908	0.3
73.06548	0.3
74.06071	0.5
75.05589	0.8
77.03912	0.8
79.05488	12.2
80.05812	0.3
82.14595	0.3
85.04018	0.9
87.05573	0.3
88.02180	0.3
91.05475	12.4
92.05795	0.6
93.07040	3.2
95.04963	3.2
97.02938	0.3
103.05460	8.3
105.07024	100.0
105.62863	0.2
106.06615	0.3
106.07346	4.8
107.04947	1.0
107.06072	0.3
107.08597	0.7
115.04675	0.4
115.05453	6.2
116.06301	0.4
117.07012	4.1
118.07816	3.6
129.06990	0.4
131.04909	1.3
131.08563	4.0
132.05705	0.3
133.06487	82.0
133.10120	65.1
134.05969	1.0
134.06853	4.7
134.09605	0.8
134.10458	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	134.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.8
55.01855	6.8
56.05022	4.2
56.96562	31.7
57.03437	52.6
58.06596	19.0
58.99844	3.8
59.04977	8.4
59.73230	1.8
60.04512	3.0
61.19722	1.9
62.81934	2.1
65.52161	2.0
66.19095	1.9
68.02637	2.2
68.04997	3.2
69.03430	12.4
70.02888	1.9
70.06573	6.7
71.04963	4.1
72.04517	2.6
72.08131	7.4
73.02914	45.8
74.02437	76.5
74.06064	15.4
76.07635	17.5
77.00868	4.2
78.52962	4.4
79.05467	6.4
79.51893	2.6
80.52700	2.8
81.03394	6.3
82.01447	2.8
84.38680	1.9
85.02905	12.9
86.06082	15.2
86.52678	9.0
88.02654	24.3
88.03980	47.4
88.07613	7.6
88.52792	4.2
89.02513	2.9
89.03892	4.9
90.09178	5.5
90.52942	2.2
91.00524	12.4
91.05457	1.9
93.01878	8.1
93.53464	10.2
95.53197	4.9
97.03197	2.7
98.21492	6.4
98.52675	3.3
98.93060	2.1
99.08092	3.7
99.53437	4.1
100.01026	8.6
100.02470	23.6
100.03442	2.2
101.00867	17.2
101.02539	3.1
102.00973	2.2
102.02407	27.8
102.05492	2.2
102.09111	2.1
102.51317	2.4
102.52505	4.9
102.53980	2.0
103.02382	3.1
104.52711	2.6
106.06526	3.1
107.04947	7.1
107.08582	2.4
109.02843	3.1
111.02903	25.0
111.53014	4.9
112.00997	4.6
112.02792	3.6
113.53181	5.9
116.00268	2.0
116.03452	5.3
116.07113	3.4
116.10693	6.2
117.03291	2.3
118.01044	2.0
118.03516	14.4
119.01913	84.6
120.01997	10.5
120.03426	9.2
121.01567	19.9
122.53696	8.5
124.02465	11.1
125.02536	3.3
127.03921	2.3
128.01974	2.5
131.01015	3.4
131.01895	29.7
131.54230	4.0
132.52328	2.0
133.03506	4.3
134.04448	4.9
134.06001	7.5
134.06949	2.5
134.08107	3.6
134.11758	53.6
135.04413	8.7
137.02942	20.8
142.03491	100.0
143.03603	10.6
144.03233	5.7
144.98058	2.1
145.03406	4.1
147.01367	4.0
149.02914	5.9
154.03487	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	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32507	0.7
55.05500	1.8
63.56424	0.7
69.77664	4.8
79.05477	4.2
91.05484	11.0
93.07050	3.6
95.04972	1.4
102.50422	0.7
103.05476	2.8
103.47307	0.8
105.07030	36.1
106.07384	1.5
107.08604	1.2
112.04148	0.7
115.05466	4.1
117.07011	5.0
118.07778	5.9
131.08574	7.0
133.10130	100.0
134.10460	5.3
152.57539	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03934	0.8
53.34147	0.4
55.05492	1.5
70.03449	2.3
74.74458	0.4
79.05482	3.9
87.24963	0.3
90.80308	0.4
91.05473	12.3
92.74445	0.5
93.07033	3.9
95.05006	0.6
98.20900	0.6
103.05447	1.0
105.07021	34.8
106.07354	1.6
107.08572	1.3
115.05453	3.9
117.07014	3.7
118.07818	5.2
129.06969	0.5
131.08562	6.3
133.10121	100.0
134.10451	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	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03932	2.1
55.01858	0.7
55.05498	1.9
58.05327	0.4
65.03925	0.6
67.05496	0.7
71.00392	1.2
71.04978	1.0
77.03900	0.7
79.05489	5.9
82.63842	0.4
87.05574	0.8
88.02191	0.8
91.05473	18.7
92.05792	0.7
93.07034	4.6
94.27831	0.5
95.04960	2.2
103.05450	3.7
104.72015	0.5
105.03387	0.7
105.07019	57.0
106.06628	0.7
106.07324	3.6
107.08571	1.5
115.05445	5.3
116.06239	0.7
117.07016	5.6
118.04118	0.8
118.07803	5.7
129.07011	0.5
131.08580	6.4
132.08899	0.5
133.02844	1.7
133.06480	13.2
133.10115	100.0
134.05983	1.6
134.06992	1.5
134.09555	0.5
134.10458	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	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77634	0.3
53.03941	0.8
55.05511	1.9
61.56756	0.2
65.03928	0.4
67.05485	0.2
69.49325	0.5
69.49744	1.5
71.04984	0.3
79.05485	4.3
79.24001	0.2
91.05473	13.8
92.05776	0.4
93.07040	4.1
95.04969	1.6
103.05470	2.6
105.07022	38.9
106.07317	1.4
107.08581	1.0
115.05450	4.4
116.06207	1.0
117.07017	5.0
118.07800	5.3
129.07013	0.5
131.08559	6.5
133.06520	2.7
133.10118	100.0
134.05943	0.4
134.06897	0.3
134.10455	5.5
140.39850	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03939	1.1
55.05514	3.5
58.53377	0.8
65.03948	1.1
66.29931	0.7
67.05500	1.4
71.15231	2.0
79.05485	5.7
91.05479	30.1
92.05785	0.7
93.07040	3.1
95.04988	0.9
103.05450	2.7
105.07027	100.0
106.07364	5.1
115.05444	2.6
117.07011	2.1
118.07781	2.6
131.08562	5.7
133.06503	6.9
133.10129	60.1
134.06010	1.2
134.07028	0.7
134.10504	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	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03929	1.3
53.86026	0.5
55.01863	2.7
55.05509	1.6
65.03914	0.9
66.04727	0.6
67.05476	0.9
67.84055	0.6
71.53507	1.0
77.03920	1.2
78.04733	0.7
79.05489	11.3
80.70033	0.6
85.03957	0.6
87.05564	0.7
88.02203	1.1
90.04697	1.0
91.05474	14.7
93.07012	3.6
95.04961	2.7
103.05466	6.9
105.03424	1.2
105.07023	100.0
106.06627	1.1
106.07354	4.9
115.05430	6.1
117.07011	2.7
118.04135	5.4
118.07796	3.9
131.04898	1.1
131.08562	4.3
133.02856	2.1
133.06483	76.0
133.10118	49.8
134.05960	2.5
134.06882	6.3
134.09590	1.0
134.10449	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	133.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
54.39566	0.3
55.01875	2.1
55.05496	1.2
56.96557	0.5
58.05341	2.0
59.06122	0.6
65.03899	0.4
67.05508	0.6
69.03412	0.6
70.52342	1.2
70.52705	0.6
71.04986	0.5
72.04527	0.5
74.02453	0.4
74.06059	1.1
75.05594	1.2
77.03934	0.7
79.05488	11.6
80.05813	0.5
85.04025	1.5
86.04795	0.5
87.05569	1.1
88.02216	0.8
88.07626	0.4
91.05484	11.8
93.07048	2.2
95.04964	2.7
97.02875	0.5
98.06067	0.4
103.05464	7.5
105.03407	0.8
105.07024	100.0
106.07362	3.6
107.04952	0.6
115.05469	4.7
117.06989	2.3
118.04227	0.6
118.07784	2.6
118.54332	0.5
131.04956	1.3
131.08578	4.2
132.05551	0.4
133.02852	1.1
133.06487	86.2
133.10126	43.3
134.05974	0.8
134.06873	3.3
134.10472	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02377	0.4
53.03934	1.5
55.01871	2.9
55.05503	1.1
56.96563	0.4
58.05336	1.1
58.78995	0.4
69.03407	0.5
71.04996	0.4
71.59911	0.5
77.03924	0.9
79.05487	12.1
85.04028	0.9
87.05601	0.6
88.02203	0.7
91.05475	7.1
93.07030	1.2
95.04954	2.6
103.05466	7.6
105.07023	97.2
106.06642	0.6
106.07352	3.3
107.04918	0.7
107.08556	0.4
115.05461	4.9
117.07022	1.8
118.04160	0.5
118.07806	1.7
131.04901	1.7
131.08551	3.2
132.05684	0.6
133.06483	100.0
133.10120	31.5
134.05954	0.7
134.06866	5.4
134.09583	0.6
134.10464	1.4
143.05959	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0647
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02351	0.8
53.03938	3.2
55.01865	2.5
58.05321	2.4
59.06112	1.1
66.04707	1.1
69.03439	1.1
69.99284	3.9
71.04979	1.3
74.06043	1.7
75.05599	2.1
77.03905	1.3
78.87621	0.8
79.05486	17.7
85.04026	3.5
87.05570	1.7
88.02197	1.1
88.07652	1.1
90.04691	1.0
91.05482	14.4
93.07041	3.5
94.04169	0.8
95.04948	3.0
97.02899	1.2
98.74135	0.8
103.05460	10.9
105.03392	1.8
105.07023	96.0
106.06631	0.9
106.07348	3.0
115.05467	4.5
116.06286	0.9
116.07040	1.7
117.07003	3.8
118.04156	8.6
118.07787	3.5
131.08578	4.8
133.02843	2.5
133.06483	100.0
133.10124	61.7
134.05975	3.5
134.06995	5.6
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	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03941	1.9
55.01859	2.1
55.05506	1.8
57.04567	0.5
58.05327	2.3
66.04715	1.3
66.82919	0.5
67.05516	1.2
69.03377	0.4
70.16537	0.5
71.04982	0.6
72.18552	0.5
74.06066	0.8
75.05604	1.2
77.03896	0.5
79.05490	11.0
85.04028	1.3
87.05592	1.1
88.02203	0.9
89.03876	0.6
90.04684	3.0
91.05479	16.8
93.07032	3.1
95.04948	2.8
98.21581	1.1
103.05460	8.3
105.07022	100.0
106.06636	0.7
106.07349	2.8
107.04951	0.8
107.87177	0.5
115.05452	5.3
116.07124	0.7
117.06995	2.5
118.04149	9.8
118.07806	3.7
119.04558	0.5
130.61116	0.5
131.04913	0.9
131.08557	5.2
133.02847	1.5
133.06483	85.8
133.10120	54.5
134.03654	0.5
134.06004	1.2
134.06848	3.6
134.10454	2.1
135.70728	0.5
143.56219	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.4
53.03939	1.4
55.01871	2.8
55.05501	1.4
56.05023	0.3
58.05311	0.5
59.06110	0.2
65.03946	0.4
67.05491	0.5
71.00152	0.6
71.04980	0.4
73.06573	0.3
74.06073	0.4
75.05589	0.5
77.03942	0.5
79.05485	12.0
80.05828	0.5
85.04027	0.4
87.05583	0.4
91.05478	11.7
92.05790	0.5
92.06335	0.3
92.07059	0.3
93.07035	2.7
94.04204	0.4
95.04969	2.9
97.02886	0.3
103.05466	8.8
104.05772	0.4
105.07024	100.0
106.06626	0.4
106.07338	5.2
107.04953	0.9
107.08597	0.8
115.05455	6.5
116.04975	0.2
116.06230	0.5
117.07016	2.8
118.04170	0.3
118.07801	3.3
126.61634	0.3
131.04909	1.3
131.08568	3.6
132.05679	0.5
132.08830	0.4
133.06485	93.7
133.10117	62.8
134.05980	1.0
134.06842	5.3
134.09579	0.6
134.10463	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	133.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
53.47101	0.8
55.01868	2.2
55.05493	1.0
56.07811	0.7
58.05325	2.8
62.08646	0.7
66.04720	0.8
69.97446	3.5
74.06069	1.1
75.05575	1.6
77.03900	1.0
79.05487	12.8
85.04024	3.4
87.05560	1.5
88.02224	1.2
88.07605	1.1
90.04688	1.9
91.05067	0.7
91.05488	8.4
93.07057	1.7
95.04963	4.3
98.20837	1.6
98.21391	1.4
103.05444	10.4
105.03372	1.3
105.07021	85.4
106.06575	1.1
106.07330	1.9
115.05463	6.6
117.07012	1.6
118.04151	8.4
118.07800	3.1
131.08531	3.3
133.02875	1.6
133.06487	100.0
133.10121	39.2
134.05963	1.9
134.06969	5.6
134.09546	0.9
134.10480	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
51.92198	0.1
53.03937	0.2
55.39392	0.1
55.91183	0.1
56.05025	0.4
56.96553	0.7
57.03435	0.3
57.05799	0.3
58.06585	0.6
59.04988	0.1
59.98473	0.1
61.01142	0.7
63.10696	0.1
67.05509	0.2
69.07066	16.1
70.06548	0.2
70.07396	0.6
70.89666	0.2
70.90001	0.3
73.02917	0.1
73.06555	0.2
74.06071	0.3
81.03421	0.2
81.48611	0.1
86.09702	100.0
87.02688	1.1
87.09479	0.2
87.10027	3.2
97.02893	0.2
98.95418	0.1
100.02511	0.2
118.03448	0.2
119.01884	0.3
132.10222	1.4
133.03188	0.3
133.09770	0.2
135.50162	0.1
136.05081	0.1
147.03152	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	130.0863
Annotation	1723-00-8
Peak:m/z	Relative Intensity
56.05022	1.0
56.96560	0.4
57.03397	0.3
57.43665	0.3
58.84853	0.4
64.15269	0.3
65.10700	0.3
67.05494	1.0
68.05004	0.4
69.03425	34.1
69.07064	4.0
70.03764	1.0
71.03522	0.5
71.04974	1.0
72.08121	0.3
82.06573	2.3
84.04485	1.1
84.08138	17.3
85.08472	0.7
94.06567	0.9
101.29964	0.3
112.07597	100.0
113.07245	0.6
113.07934	4.1
130.08636	27.7
131.08983	1.3
135.04921	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.0
53.02926	0.7
53.03942	7.5
54.03467	2.3
55.01861	1.3
55.05510	8.9
56.05027	7.1
56.06168	0.7
56.96577	0.8
57.07073	3.4
58.06615	1.0
59.51181	0.7
65.03950	2.9
65.94712	0.8
67.05500	36.3
68.05039	3.8
69.07058	2.0
70.06595	3.5
70.70126	3.1
77.03944	1.4
78.03486	0.9
79.01846	1.0
79.05491	14.8
80.05013	15.5
81.03429	3.3
81.04546	9.8
81.07053	100.0
82.01449	1.9
82.05326	1.9
82.07423	2.8
83.05623	1.8
83.06096	14.8
88.02406	1.6
91.05486	1.7
93.07052	6.8
95.04965	72.9
95.06036	1.7
95.08599	29.8
96.04510	9.1
96.05327	1.7
96.08186	1.2
96.08916	1.3
96.29687	0.9
97.07660	9.2
100.02475	13.5
101.02560	1.0
105.03433	3.7
105.04555	3.0
105.07069	3.2
106.07343	1.7
107.06075	8.4
108.05732	3.4
108.07679	1.9
112.03986	3.1
118.03528	12.7
119.01949	2.2
119.03624	1.0
121.10204	1.0
123.04462	43.2
123.05578	36.1
123.08103	49.5
123.09112	1.8
123.10029	3.2
123.11698	24.0
123.12555	1.4
124.03956	25.3
124.04819	2.4
124.07693	1.6
124.08714	24.7
124.12035	1.7
137.02974	1.4
140.03453	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.68030	0.6
51.02374	0.9
53.03937	3.8
54.03470	1.9
55.01875	1.1
55.05509	8.7
56.05021	2.4
57.07072	4.7
59.83303	0.6
65.03933	1.3
67.05501	34.3
68.05011	2.0
69.03424	1.0
69.07059	2.7
70.06576	1.3
71.33347	1.0
71.33684	1.0
72.71120	0.7
79.05489	18.8
80.05022	7.1
80.05817	1.4
80.06255	1.3
81.03408	0.9
81.04550	3.8
81.07051	87.2
82.07387	2.1
83.05676	0.9
83.06103	6.4
91.05457	2.2
93.07046	8.5
95.04961	31.5
95.08599	52.0
96.04489	4.7
96.05283	0.8
96.08325	0.7
96.08963	2.6
97.07642	3.4
100.02471	5.0
103.05461	1.1
105.04505	1.7
105.07024	12.2
106.07328	0.9
107.04953	5.4
107.06086	2.9
108.05751	27.3
108.09377	1.2
112.03961	1.8
118.03523	4.8
119.01953	1.0
121.06483	3.9
121.10140	0.9
121.68864	0.8
123.04433	11.0
123.05558	17.5
123.08069	100.0
123.11692	35.7
124.03944	11.1
124.04827	1.5
124.08702	14.4
125.07143	0.8
129.48457	0.7
140.03419	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02380	0.8
53.03943	5.0
54.03466	2.2
55.01857	1.1
55.05518	4.7
56.05040	6.0
56.96558	3.3
57.07051	1.2
58.06601	1.2
65.03924	1.3
67.05499	26.4
67.86443	0.8
68.05021	2.8
69.03428	1.9
69.07085	1.3
70.06588	3.6
70.40472	2.9
77.03945	2.7
79.01853	3.0
79.05480	9.5
80.05011	23.0
81.04533	6.9
81.07047	46.7
82.01431	1.5
82.07385	1.1
83.05639	1.5
83.06099	9.3
88.02370	4.2
91.05494	1.1
93.07038	4.9
95.04962	58.6
95.08604	20.2
96.04494	10.2
96.05227	2.0
97.07643	9.7
99.53172	0.9
100.02472	27.5
101.02605	2.1
105.03373	2.5
105.04492	1.3
105.07047	3.9
106.02922	0.9
107.02451	1.1
107.04948	1.2
107.06072	7.6
108.05715	4.5
108.07668	1.6
112.03255	1.1
112.03918	4.5
118.03510	29.3
119.01919	2.7
119.03659	1.7
121.10097	1.1
123.04441	42.6
123.05563	56.4
123.06610	2.4
123.08080	100.0
123.09904	5.7
123.11684	12.7
124.03034	2.1
124.03947	38.8
124.04784	2.4
124.05910	2.4
124.07605	2.4
124.08681	18.0
125.07112	1.2
129.54236	1.0
137.03047	1.2
140.03410	3.6
141.05124	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	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02380	1.7
53.03950	7.9
54.03455	2.7
55.01851	2.1
55.05508	12.2
56.05035	6.1
56.96572	1.1
57.07063	3.2
58.06588	1.7
59.85015	0.8
61.70258	0.8
63.66003	0.8
65.03924	2.3
66.03452	0.9
67.05502	60.1
68.05019	3.0
68.05835	1.8
68.99792	0.9
69.07054	2.1
70.06580	2.6
70.16731	3.6
71.25940	0.9
77.03919	1.9
78.03474	1.2
79.01855	1.1
79.05490	15.7
80.05021	17.7
80.05805	1.3
81.03418	5.3
81.04545	7.6
81.07053	100.0
82.01432	1.9
82.05300	1.5
82.07371	2.6
83.04984	1.4
83.06103	11.2
88.02374	1.4
90.25473	0.8
91.05459	2.4
93.07042	9.8
95.04966	94.6
95.08601	47.5
96.04495	10.4
96.05297	3.2
96.08942	1.5
97.07649	8.5
100.02477	16.3
100.82850	1.0
105.03390	1.3
105.04550	2.5
105.07034	4.0
105.61323	0.8
106.02965	1.0
106.07354	1.7
107.04973	1.3
107.06065	8.2
108.05745	6.9
108.07687	2.0
109.97399	0.9
112.03940	4.5
118.03512	18.1
119.01965	2.0
119.03600	2.5
121.10112	1.0
123.04443	45.7
123.05560	41.8
123.08077	96.6
123.09896	4.7
123.11683	22.3
124.03948	32.9
124.04841	2.4
124.05894	1.8
124.07578	1.9
124.08712	21.6
137.02971	2.6
140.03448	2.5
141.05087	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03944	5.8
54.03463	2.7
54.59980	0.7
55.01863	1.5
55.05509	18.6
56.05035	6.7
56.51951	0.8
57.07065	2.0
58.06581	0.9
65.03936	3.0
67.05503	76.1
68.05026	4.2
68.05820	3.2
69.03423	1.6
69.04549	1.2
69.07050	1.0
70.06590	3.1
71.09285	1.8
78.03474	0.8
79.05487	9.6
80.05022	10.9
80.05833	1.4
80.06274	2.5
81.03431	2.7
81.04535	9.0
81.07056	40.3
82.01455	0.9
82.06571	2.3
82.07381	0.9
83.06100	11.2
91.05486	1.7
93.07043	14.4
94.07287	0.9
95.04967	48.7
95.08604	100.0
96.04487	6.2
96.05323	2.0
96.08163	2.0
96.08948	4.2
97.07655	7.3
100.02474	5.9
103.05532	1.0
105.03391	0.9
105.04510	1.0
105.07029	6.1
106.07380	2.8
107.04987	2.7
107.06079	6.7
108.05740	12.6
108.07682	2.5
112.03968	3.2
118.03538	7.1
119.01924	1.4
121.06525	3.1
123.04454	22.2
123.05572	26.9
123.08084	60.7
123.09966	8.3
123.11691	16.1
124.03064	0.9
124.03967	17.7
124.04832	1.4
124.05902	0.9
124.07609	3.0
124.08711	16.9
137.03033	1.0
140.03421	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03943	4.6
54.03471	2.0
55.01867	1.0
55.05506	2.6
56.05034	4.4
56.96563	0.7
57.07079	1.1
60.37921	0.5
61.51330	0.5
65.03934	1.1
66.62960	0.5
67.05505	19.5
68.05035	2.5
68.05845	0.8
69.03419	1.0
69.04544	0.8
69.64621	1.6
69.65043	2.8
70.06583	1.9
70.33003	0.5
72.21925	0.7
77.03933	1.1
79.05493	10.4
79.05914	1.1
80.05016	8.5
80.05819	0.8
80.06291	0.9
81.03448	0.8
81.04545	7.1
81.07057	12.3
82.01459	0.8
82.05317	0.8
83.05648	1.2
83.06100	10.4
83.94179	0.6
93.07051	3.9
95.04967	36.5
95.08603	36.8
95.28889	0.6
96.04495	5.5
96.05266	1.8
96.08937	2.2
97.02896	0.7
97.07642	6.9
100.02478	6.0
102.02374	0.6
103.05470	1.5
105.04503	2.0
105.07024	10.5
106.07363	1.2
107.04954	7.6
107.06077	7.2
108.05740	42.9
108.07664	2.5
109.06071	1.4
112.03997	2.1
118.03531	6.9
119.01928	1.2
119.03629	0.8
121.06512	7.2
123.04445	18.6
123.05566	19.1
123.08076	100.0
123.09918	5.8
123.11671	4.7
124.03960	12.9
124.04819	1.0
124.07565	1.4
124.08701	14.8
125.06004	1.4
135.05548	0.7
140.03435	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.044
Annotation	Tropolone
Peak:m/z	Relative Intensity
51.02371	2.0
53.03938	4.8
54.03465	0.9
55.01863	1.2
55.59921	0.5
56.05023	1.6
65.03925	0.8
67.05505	8.2
68.05016	1.9
70.06584	0.6
70.94844	1.9
77.03924	6.9
79.05487	2.4
80.05021	5.3
81.03426	0.7
81.04533	2.0
81.07055	9.2
82.05305	0.8
82.06540	0.6
83.06113	3.3
95.04961	33.6
95.08610	2.7
96.04499	3.3
96.05241	0.5
97.07651	2.1
100.02483	4.8
105.03388	8.5
105.04519	2.1
107.06091	2.6
112.03969	0.8
118.03529	3.1
123.04429	100.0
123.05517	13.8
123.08142	4.6
123.09143	0.9
123.09973	2.9
123.11706	3.4
124.03946	6.1
124.04784	3.5
124.08687	4.5
140.03410	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0441
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01598	0.4
51.02382	1.8
53.03737	0.4
53.03944	4.0
54.03473	0.5
55.01867	1.1
56.05020	1.1
57.07068	0.4
65.03929	0.9
67.05495	7.6
68.05009	0.7
69.87314	2.2
70.06574	0.3
71.12480	0.3
77.03924	5.5
79.01846	0.6
79.05476	1.9
80.05001	3.6
81.03406	0.5
81.04507	1.2
81.07045	8.6
82.01430	0.4
83.06085	1.5
88.02360	0.4
95.04954	18.6
95.05964	0.7
95.08580	2.7
96.04484	2.5
96.05346	0.4
97.07628	1.3
100.02475	5.4
101.52688	0.4
105.03384	10.7
105.04456	2.2
106.07333	0.5
107.06065	1.4
108.05732	0.7
108.07670	0.6
112.03932	0.9
118.03504	5.1
123.04415	100.0
123.05500	10.2
123.07385	1.2
123.08161	2.3
123.10028	0.7
123.11674	2.8
124.03930	5.2
124.04774	3.6
124.05890	0.6
124.07707	0.5
124.08681	4.1
140.03358	0.7
141.05045	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
51.02370	2.5
53.03941	3.5
55.01869	0.8
56.05021	0.5
65.03927	0.8
67.05503	7.0
68.21986	0.3
70.23964	1.3
77.03926	5.7
79.05477	0.7
80.05009	1.5
81.03430	0.4
81.04539	0.9
81.07057	3.6
83.06104	1.0
83.57172	0.4
93.07024	0.4
95.04964	15.8
95.08603	1.5
96.04494	0.8
96.05320	0.3
97.07651	0.9
100.02489	1.0
105.03386	10.0
105.04507	1.2
106.03663	0.4
107.06059	0.3
108.07660	0.3
112.03976	0.6
118.03526	1.2
123.04424	100.0
123.05464	3.9
123.08091	1.9
123.09989	0.7
123.11652	0.8
123.99738	0.3
124.03936	2.4
124.04778	3.1
124.07769	0.3
124.08694	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0441
Annotation	Tropolone
Peak:m/z	Relative Intensity
51.02366	2.2
53.03941	4.0
54.03463	0.6
55.01860	0.8
55.05503	1.3
56.05025	1.0
56.96543	0.7
57.07069	1.1
65.03927	0.6
67.04066	0.4
67.05498	10.2
68.05002	0.6
69.07032	0.7
70.03132	1.9
77.03921	6.0
79.05481	3.1
80.05007	4.9
81.03442	0.6
81.04531	0.9
81.07051	17.1
82.04823	0.4
82.05301	0.5
83.06094	1.6
88.02351	0.8
93.07055	0.7
94.37491	0.4
94.85204	0.4
95.04961	23.7
95.08596	4.1
96.04484	2.6
96.05277	0.7
97.07652	1.6
100.02473	5.9
105.03385	8.7
105.04517	1.7
105.07027	0.7
106.07363	0.8
107.06042	0.7
108.07661	0.6
112.03940	1.2
112.41647	0.4
118.03506	6.1
119.01908	0.6
119.03610	0.9
123.04424	100.0
123.05515	14.1
123.08089	10.2
123.09978	1.6
123.11689	6.4
124.03942	6.5
124.04782	4.2
124.07695	0.8
124.08694	5.0
137.02911	0.6
140.03465	0.8
141.05124	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0441
Annotation	Tropolone
Peak:m/z	Relative Intensity
51.02381	1.8
53.03949	4.5
54.03469	0.4
55.01865	1.1
56.05036	0.6
65.03925	0.9
65.04579	0.4
67.05508	5.9
70.66118	1.7
77.03934	5.5
78.04708	0.8
80.04999	1.5
81.04539	0.6
81.07059	2.3
83.06097	1.4
87.26360	0.4
95.04967	15.5
95.08624	0.7
96.04489	0.7
96.05312	0.8
97.07657	0.9
100.02489	1.0
105.03391	8.4
105.04512	1.5
107.06087	0.7
118.03458	0.7
123.04427	100.0
123.05458	3.8
123.08089	1.4
123.09987	0.9
123.11681	0.6
124.03936	2.2
124.04780	2.9
124.08710	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01868	1.1
56.05027	2.0
56.96564	6.4
57.03426	2.4
58.06591	0.9
58.99863	2.2
59.07364	0.7
61.02909	1.5
67.05500	4.2
68.05016	0.8
69.03427	1.9
71.51622	1.0
71.51969	0.9
73.02904	1.8
77.00896	1.9
77.03941	1.1
78.06321	2.4
79.05489	1.5
80.05014	6.8
80.52687	0.8
81.03413	2.0
81.04536	1.1
81.07032	2.3
82.01437	11.7
82.99798	0.7
83.01492	0.9
83.05640	0.9
83.06077	4.5
85.02892	1.0
88.02682	1.8
93.53461	0.7
94.73198	0.8
95.01358	1.0
95.04967	19.2
95.06029	0.8
96.04475	3.7
97.02887	1.5
97.07616	1.6
99.53445	0.7
100.02476	100.0
101.00871	8.8
101.02536	4.8
102.02343	1.0
102.52505	0.9
103.52098	0.9
106.02903	0.8
107.06078	2.4
109.02862	1.5
111.02975	1.4
115.02379	1.0
117.10258	1.7
118.03513	89.0
119.01913	79.8
119.02809	1.6
119.03619	5.9
121.01627	1.1
123.04417	12.4
123.05548	15.7
123.08054	2.2
123.09171	0.9
124.03941	6.9
124.07620	1.6
124.08727	3.7
131.01892	3.1
133.03416	1.5
136.04504	1.2
137.02948	47.7
141.05081	2.9
142.03491	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	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01857	1.9
56.96560	1.8
57.02556	1.1
57.03429	3.1
57.27510	1.0
58.99856	2.1
61.02919	3.2
69.03424	3.8
69.79387	7.3
69.79695	2.1
73.02917	3.4
75.00871	1.1
77.00905	3.1
78.52936	1.2
79.71933	1.0
80.05013	1.2
81.03400	2.6
81.83320	1.1
82.01424	11.0
85.02897	2.3
86.52708	1.1
87.53478	1.2
88.02676	3.4
90.02442	1.6
92.52720	1.3
93.53464	2.6
95.04940	6.4
96.04494	1.0
97.02885	3.1
98.21562	1.2
99.53450	2.2
100.02475	100.0
101.00884	6.7
101.02530	6.5
102.02372	2.8
102.52545	1.3
109.02829	1.1
111.02959	2.3
115.02390	1.4
118.01192	2.1
118.03512	82.0
119.01913	29.9
119.03601	7.7
120.02070	1.9
123.04309	4.0
123.05541	6.6
124.03953	6.3
129.00481	1.2
131.01892	4.2
133.03448	1.4
137.02953	17.7
139.75754	1.2
141.05061	2.4
142.03500	7.5
143.03677	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52492	0.6
58.99856	1.6
69.33272	6.0
77.00912	1.5
82.01434	11.2
82.41616	0.6
100.02473	100.0
101.00891	4.4
101.02528	4.1
118.03511	85.7
119.01910	33.5
119.03612	4.6
123.04084	2.3
136.04524	0.6
137.02951	20.2
141.05081	2.6
142.03471	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	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02360	1.8
53.03941	16.5
54.03462	3.7
55.05500	3.0
62.92939	1.4
65.03930	2.2
66.87415	1.3
67.05492	2.6
71.16092	3.3
77.03935	2.5
79.05488	43.9
80.05811	2.0
81.04548	6.8
81.07023	1.9
82.05316	7.7
89.99062	1.4
91.05473	47.5
93.07040	73.6
94.07394	2.6
95.04968	27.4
95.06082	4.2
98.84525	1.6
103.05463	39.8
104.05717	1.5
105.04519	6.1
105.07024	100.0
106.07816	6.3
107.07327	15.0
119.08566	13.6
121.02872	2.7
121.06500	77.4
121.10132	78.7
122.07152	40.4
122.09669	25.1
122.10486	5.0
123.08055	17.7
133.07581	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	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03946	8.6
54.03465	6.5
55.05513	6.8
65.03928	4.1
65.48132	0.9
66.47548	0.9
67.02988	1.0
67.05479	2.2
68.05003	2.5
70.06588	1.1
70.56818	2.0
70.57194	1.5
74.36606	1.0
77.03920	1.5
79.05488	37.9
79.05952	2.0
81.04535	17.2
81.07047	3.5
82.05313	17.9
82.57531	1.0
91.05476	33.3
92.05811	2.3
92.06331	1.2
93.07034	100.0
93.29570	0.9
93.66746	0.9
94.06554	1.9
94.07365	3.7
95.04969	17.7
95.06078	10.3
103.05454	13.7
104.05021	1.2
105.04503	6.9
105.07021	53.6
106.07799	3.3
107.04794	1.1
107.07327	20.0
119.08588	7.8
121.02849	6.2
121.03885	2.0
121.06517	9.8
121.07595	2.1
121.10135	55.0
122.06104	3.0
122.07141	75.9
122.09655	37.8
122.10460	2.3
123.08051	7.3
133.07594	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	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.62285	0.5
53.03946	1.0
54.44676	0.4
59.06125	3.1
64.20988	0.4
65.03939	2.0
69.73136	3.3
77.03519	0.9
78.04700	0.6
79.05490	5.3
87.05602	0.6
91.05475	81.5
92.05811	1.9
93.07030	5.1
94.38294	0.5
95.04977	3.0
96.05296	0.7
98.20860	0.8
102.04675	0.6
103.05461	10.3
104.06250	9.0
109.06490	1.6
115.05450	5.0
117.07008	36.9
118.07353	2.1
119.08571	100.0
120.05577	1.4
120.08067	0.7
120.08884	4.6
121.06520	1.6
131.06087	0.6
133.68849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0649
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02362	1.7
53.03942	13.2
54.03448	3.6
55.01857	2.9
56.96563	1.9
60.04506	1.3
63.80162	0.9
65.03929	3.0
67.02961	0.8
68.05009	2.7
70.79758	1.8
70.80134	1.4
77.03921	2.5
78.44017	0.7
79.05479	3.8
80.05018	1.2
81.03409	1.6
81.04530	7.4
81.05800	1.2
82.05316	12.0
91.05474	49.6
92.03512	0.9
92.05788	2.8
93.07034	54.9
94.06554	1.8
94.07389	1.2
95.04354	1.7
95.04962	32.9
95.06064	11.1
96.05312	1.0
102.04707	1.4
103.05458	93.3
104.05814	4.0
105.04488	7.2
105.07019	7.6
107.07316	3.3
111.04428	0.9
119.08569	1.3
121.02831	4.0
121.03992	2.6
121.06493	100.0
121.10143	4.6
122.06004	2.3
122.07144	29.0
122.09635	9.0
123.08149	1.0
134.99677	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.05827	0.6
53.58056	0.5
54.81163	0.7
59.06123	10.2
60.04516	1.6
63.74823	0.6
65.03939	14.3
70.01725	0.9
70.02135	2.7
74.06080	1.4
87.05586	1.9
90.57480	0.7
91.05475	100.0
92.05815	3.8
98.21426	1.0
119.04936	53.5
119.08582	4.4
120.04473	0.7
120.05392	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.72346	0.5
53.03936	1.8
54.97321	0.5
59.05856	0.8
59.06124	8.6
60.04519	1.0
65.03928	2.2
65.04248	0.5
70.72662	1.1
70.73024	0.9
74.06071	0.8
75.99564	0.5
77.03526	1.0
79.05494	6.4
87.05589	2.0
91.05480	66.8
92.05808	1.9
93.07046	3.9
95.04986	2.5
103.05463	7.4
104.06258	7.9
109.06507	0.6
115.05450	2.3
117.07014	13.9
118.07361	0.7
119.04964	3.1
119.08580	100.0
120.05553	1.2
120.08914	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	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
55.05487	0.4
56.05040	2.6
56.96561	0.9
58.02957	0.5
58.06594	1.3
58.37770	0.4
59.06124	54.0
60.04527	14.7
60.05820	0.5
60.06448	0.7
60.43396	0.4
61.02922	2.7
62.06102	0.5
65.03941	9.8
71.27319	0.7
72.04520	0.8
72.06895	0.6
72.08151	0.8
74.06072	6.5
75.05601	2.8
76.04018	0.8
76.07626	0.4
77.03530	1.4
79.05485	1.5
84.04505	1.0
85.07667	1.8
87.05589	10.7
91.05479	100.0
92.04995	1.5
92.05812	3.9
93.04520	0.6
93.07069	0.4
95.04948	0.4
96.05310	0.4
97.14234	0.3
101.07151	2.3
102.05515	1.2
102.09197	0.5
102.74120	0.4
103.05458	1.4
109.06503	0.8
111.06145	0.4
113.18270	0.4
117.06995	1.6
118.23317	0.4
119.04945	30.9
119.06009	2.9
119.06798	0.7
119.08616	13.2
120.04459	1.8
120.05568	6.7
120.08070	1.8
120.08859	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26680	2.9
56.77628	3.5
57.03420	3.7
57.94638	3.2
59.06121	32.9
59.52180	7.2
60.04539	6.6
65.52181	4.3
67.05504	7.3
69.03424	81.8
69.98296	7.0
69.98705	15.7
71.02979	11.8
76.32310	3.2
78.52966	11.7
79.03044	4.0
80.03497	4.1
82.01450	16.4
83.01525	4.0
85.07681	3.7
85.53722	5.4
87.05595	6.1
87.53472	13.5
88.03548	4.1
91.05476	20.0
92.23002	3.3
93.53468	13.3
94.03478	3.6
94.71194	3.5
96.54025	4.7
100.02478	100.0
101.00887	7.9
101.02564	20.3
102.02234	14.8
103.02449	6.9
107.05222	6.9
107.53191	9.5
116.05771	10.9
116.53729	5.1
117.59052	3.6
118.03514	89.9
119.01920	98.6
119.03624	15.2
120.02033	5.5
120.03268	11.1
120.05565	3.6
121.03468	4.5
131.01877	5.8
133.03485	10.8
135.05013	3.2
137.02945	59.0
138.03000	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	116.0708
Annotation	Proline
Peak:m/z	Relative Intensity
51.75534	0.1
53.03945	0.3
53.36964	0.1
55.01868	0.3
55.05505	0.2
56.05029	0.4
56.96557	0.4
57.03418	0.1
58.06591	0.7
59.04996	0.3
59.06124	1.2
59.52202	0.1
60.05659	0.2
62.96418	0.1
68.05030	0.3
69.03423	0.2
70.06587	100.0
71.06299	0.2
71.06922	2.2
72.05636	0.1
72.08149	0.9
74.06066	0.3
76.07640	1.4
78.52953	0.2
81.03407	1.0
82.01389	0.1
87.09232	0.3
88.07619	0.2
95.03434	0.2
98.06046	0.4
98.07167	1.1
98.09689	0.6
100.02489	1.1
100.07600	0.6
102.02410	0.1
109.02870	1.3
113.75877	0.1
114.17981	0.1
116.07085	16.2
116.08201	0.8
116.10715	0.5
116.98676	0.1
117.07422	0.4
117.10253	1.6
118.03500	0.9
119.01886	0.2
119.03642	0.1
127.94371	0.1
131.01955	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0599
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
53.00279	1.4
54.03471	9.8
55.01871	3.0
55.05510	5.7
56.05025	3.6
57.03432	2.5
57.07072	52.4
57.65399	0.9
58.06589	6.0
60.04520	11.4
65.03936	6.0
67.01855	4.3
67.05500	64.8
68.05026	8.5
68.05811	2.0
68.51104	1.1
69.03420	2.3
69.04527	1.6
69.07059	4.5
70.02948	1.8
70.06582	12.4
71.04990	14.2
71.06112	4.3
71.59219	0.9
71.59653	1.5
71.94094	8.0
72.04514	5.6
72.08130	2.2
72.93784	16.7
73.05290	2.8
74.04821	9.9
79.05463	1.1
81.05779	1.2
83.06096	26.5
83.06590	1.3
84.04488	1.2
85.02872	1.9
85.06538	26.5
85.07645	3.5
86.06064	6.5
90.94832	4.1
95.01333	2.0
95.04962	31.1
95.06069	10.1
96.00849	1.1
96.04485	3.3
96.06361	1.2
96.08125	9.6
97.07604	1.6
102.71722	0.9
108.95877	1.9
109.25146	1.0
113.00043	2.4
113.02361	100.0
113.03440	5.2
113.05996	21.6
113.07125	16.4
113.07886	2.5
113.09062	1.6
113.10755	5.2
114.02703	3.2
114.05527	2.9
114.06629	4.6
114.09161	13.9
114.10280	2.1
131.97452	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	1128.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01838	1.8
81.03409	23.8
83.01304	0.8
83.04936	0.3
84.04472	0.3
85.02884	2.0
87.58500	0.2
89.03888	0.6
89.11514	0.2
91.01792	0.6
91.05433	0.8
92.99753	1.6
93.03368	0.9
95.01321	4.2
95.04935	0.4
96.04482	0.3
97.02883	2.5
99.00757	0.6
99.04422	1.0
101.02331	0.8
103.05461	1.1
105.03336	0.5
106.91395	0.2
107.01254	0.6
107.04908	0.4
108.02045	0.6
108.04419	0.5
109.02868	16.9
111.00774	0.9
111.04452	1.1
113.02364	1.3
117.01804	0.2
117.03310	0.6
119.01299	1.0
119.04895	0.6
119.41692	0.2
121.02851	3.4
122.80801	0.2
123.00774	2.4
123.04449	0.3
125.02341	2.0
126.05453	0.6
127.00227	0.3
127.03903	3.8
129.03358	0.6
131.04926	1.2
133.02785	0.5
135.00697	0.4
135.04420	0.4
137.02327	3.2
139.00221	0.7
139.03885	1.1
141.01810	2.2
143.03346	0.5
145.02812	1.4
147.00731	0.8
147.04398	1.8
148.01585	0.4
149.02332	3.2
151.00261	1.8
151.03894	0.4
153.01816	3.0
154.99710	0.3
155.03336	0.2
157.02838	1.7
159.03082	0.2
159.04346	0.9
161.02298	0.4
163.00246	0.3
163.03929	2.4
165.01822	12.7
166.99725	2.0
167.03380	4.1
168.00415	0.2
169.01308	1.3
171.04413	0.4
173.02345	2.9
174.02997	0.3
175.00243	0.5
175.03880	2.9
176.00957	0.3
177.01788	1.8
177.05396	0.3
178.99663	0.3
179.03326	0.5
181.01265	1.6
182.99298	1.3
183.00652	0.3
183.02892	0.7
185.00783	0.5
185.02307	1.9
185.06004	0.2
187.02249	0.5
187.03888	5.7
189.01784	1.4
190.99721	0.3
191.03392	3.8
192.00508	0.2
193.01306	38.8
194.01709	0.6
194.99211	1.2
195.01207	0.3
195.02835	2.0
197.00813	0.5
199.03963	0.5
200.99959	0.4
201.01796	6.3
202.02562	0.5
202.55022	0.2
202.99774	0.7
203.03368	6.3
204.03836	0.3
205.01288	1.8
205.04947	0.4
207.02869	1.0
207.36674	0.2
209.00819	1.0
210.01616	0.4
211.02322	2.8
211.04135	0.3
213.01819	4.5
213.05402	0.4
215.03365	5.4
217.01282	3.2
217.04895	0.4
219.02869	6.8
220.03452	0.3
221.00783	58.7
222.01196	0.7
222.98674	0.3
223.02335	0.6
225.05458	0.4
227.03395	0.4
229.01312	6.0
229.04909	0.4
230.01990	1.0
231.02859	27.4
232.03352	0.4
233.00722	0.2
233.04291	0.9
235.02400	0.4
237.00269	0.2
237.05544	0.2
237.80699	0.2
239.01790	4.6
239.03914	0.3
241.01286	4.2
243.02791	1.1
245.00772	3.6
245.04491	0.6
246.01549	0.3
247.02361	16.4
248.02766	0.4
249.00055	0.2
249.03868	0.3
253.01320	0.2
253.05040	0.2
255.02927	0.7
256.03458	0.2
257.00775	9.5
258.01471	0.6
259.02356	42.1
260.02774	1.0
261.03940	2.3
263.01846	2.7
267.01065	0.9
269.00851	0.3
269.04483	0.5
271.02316	1.3
273.00305	2.5
273.03906	0.7
274.01089	0.3
274.98676	0.4
275.01831	18.8
276.02594	4.4
277.03403	100.0
278.03699	1.3
281.04517	0.3
283.02356	0.6
285.00296	7.2
285.03741	0.6
286.00980	0.3
287.01816	1.8
289.03455	1.1
291.01358	1.5
295.02441	0.5
297.00345	0.4
297.03940	0.4
299.01691	1.0
300.99808	0.5
301.03464	1.0
302.00632	0.8
303.01315	80.2
304.01721	1.7
305.02905	0.5
309.03992	0.2
311.01779	0.7
311.05109	0.3
312.99771	0.3
313.03409	0.4
315.01352	1.0
317.02939	0.8
319.00922	0.7
319.04468	0.4
321.02338	5.7
323.02014	0.2
325.03400	0.4
327.01599	1.0
327.04797	0.2
328.99451	0.3
329.02655	0.9
331.00824	0.6
331.04520	0.4
337.03265	0.3
344.03864	0.3
345.02621	0.5
347.04080	1.2
353.02844	0.2
355.04529	0.5
357.02414	0.4
365.05319	0.9
367.04730	0.2
369.02344	0.3
375.03397	0.6
385.05890	0.3
387.03473	0.3
401.05219	0.4
403.02765	1.0
405.04498	0.2
411.03687	0.7
415.03049	0.3
429.04449	2.8
431.02463	1.5
433.04013	0.4
447.05542	1.7
449.03473	3.0
459.01828	3.9
467.04602	0.6
476.04657	0.3
477.02963	17.3
478.03403	0.3
495.04153	1.6
500.37054	0.2
506.06503	0.3
513.05042	2.7
557.05444	0.4
561.04559	0.3
567.03937	0.2
575.06610	0.6
578.07690	0.5
585.05005	0.9
602.07800	1.2
603.06183	4.7
620.08960	0.4
621.07166	10.4
639.08435	0.7
747.28577	0.2
773.06683	0.2
923.07593	0.6
941.08765	73.7
942.08887	2.4
1093.10107	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.0759
Annotation	N-Vinyl-2-pyrrolidone
Peak:m/z	Relative Intensity
54.03458	2.2
55.01858	1.2
55.05497	0.6
56.05023	2.7
56.96549	2.8
57.03437	0.9
58.06589	2.4
59.52949	0.7
60.04514	1.6
67.01852	1.4
67.05501	4.4
68.05034	5.1
69.03424	46.7
69.07043	2.8
69.71400	2.1
69.71816	2.5
70.02944	1.2
70.03745	1.2
70.06586	4.9
70.16031	0.6
70.94241	1.5
71.04979	2.1
71.06106	1.6
71.94104	4.0
72.04498	2.7
72.08144	0.7
73.05278	1.1
74.65412	0.7
76.02251	0.6
82.06564	2.0
83.06109	4.0
84.04498	1.1
84.08136	14.8
85.02898	0.9
85.07660	1.9
85.28447	0.7
86.06049	1.7
87.14146	0.6
89.00222	1.3
94.06562	1.6
95.01295	0.9
95.04973	0.9
95.06075	4.8
96.04464	1.4
96.08127	2.1
97.07645	1.0
98.00771	2.2
112.03977	2.8
112.07598	100.0
112.08811	2.7
112.09552	2.8
113.00014	2.2
113.02361	31.9
113.03552	1.5
113.05997	1.3
113.07124	3.1
113.07938	2.4
113.10768	2.3
114.23166	0.7
134.99519	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05449	1.2
80.04985	0.6
81.03392	1.4
81.07022	0.3
82.06565	0.4
85.02857	0.6
91.04957	0.4
91.05468	5.7
93.05802	0.5
93.07029	2.0
94.06554	4.4
95.04937	1.1
95.07332	2.1
95.08554	0.3
96.08122	4.1
97.02850	0.4
97.06532	0.5
103.05433	0.7
106.06522	1.1
107.04933	0.9
107.07294	0.9
108.04448	1.3
108.08107	6.0
109.02832	1.0
109.08897	0.3
110.09674	7.8
116.34057	0.4
118.06512	0.4
119.04930	7.4
120.08089	5.7
121.06494	0.5
122.06011	7.1
122.09652	1.7
124.07542	0.8
127.03891	0.4
132.04378	0.5
132.08058	0.4
134.05954	2.0
135.04373	0.4
136.07564	4.9
137.05968	0.5
138.09126	11.4
139.03842	0.4
146.05984	1.1
146.09637	0.3
147.04395	26.6
148.04716	0.6
148.07561	3.0
150.09132	3.9
152.07050	2.0
153.01813	1.0
160.03912	4.5
160.07498	0.4
163.07477	0.4
164.07030	2.6
165.05452	0.9
166.08618	19.1
167.06985	0.4
167.09016	0.3
172.03900	1.1
174.05502	0.5
174.09134	0.4
177.05463	0.5
178.04967	1.7
190.04924	0.8
192.06471	0.7
197.10654	0.4
199.08611	1.1
204.06540	1.3
210.11357	0.4
211.08534	2.0
211.12320	0.9
212.09325	0.9
212.12892	0.5
213.06746	0.5
213.10109	2.1
221.10625	0.8
222.11487	0.9
223.08629	3.3
223.12183	0.8
224.09254	0.5
224.13058	0.8
225.10207	11.1
225.13853	1.0
226.08859	0.5
226.10938	3.9
227.08206	0.4
227.11714	3.2
229.13438	0.5
234.11540	0.5
235.08572	1.8
235.12268	1.1
236.09280	0.8
236.13054	0.7
237.10222	4.5
237.13861	2.1
238.10950	3.5
239.08179	4.2
239.11757	10.5
239.15393	0.5
240.12505	3.5
241.09750	0.7
241.13275	1.0
246.11546	0.3
248.09291	0.7
248.13155	0.4
249.10197	4.9
250.10966	5.6
251.08095	2.6
251.11755	14.8
252.08875	0.9
252.12482	4.1
253.09703	4.0
253.13350	8.4
254.10451	9.0
254.13484	0.5
255.11127	1.3
255.14827	0.9
257.12866	0.4
261.10303	0.5
262.10980	0.5
263.08728	0.4
263.11786	8.8
264.08850	0.5
264.09351	0.5
264.12552	6.0
265.09735	4.8
265.13327	19.3
266.10397	2.7
266.14011	2.0
267.11258	6.6
267.14853	2.0
268.12024	1.1
269.12781	1.4
271.10727	1.8
275.11777	0.8
277.09662	1.9
277.13342	1.2
278.10349	2.2
279.11255	8.1
280.11942	1.3
281.09814	0.4
281.12805	10.9
282.13571	2.3
283.10760	5.2
283.14380	3.5
284.11533	1.4
285.12296	8.1
286.13098	2.0
287.13992	0.4
291.08487	0.9
291.11273	2.6
292.08551	0.4
292.11981	1.2
293.09543	0.5
293.12750	7.0
294.10492	0.5
294.13675	1.7
295.10757	2.6
295.14377	1.8
296.11600	3.5
297.12317	6.3
298.13104	1.9
299.13861	10.6
305.09152	0.4
307.10751	1.3
308.11444	0.7
309.12350	45.4
310.12869	3.1
311.13870	21.2
311.17642	0.4
312.14261	1.0
313.11896	1.3
319.10559	1.6
320.11624	1.1
321.12274	4.6
323.10367	0.5
323.13824	1.0
324.10956	1.6
324.14645	0.5
325.11795	3.0
325.15384	0.8
326.12643	1.1
327.13361	65.0
328.13687	2.0
330.15982	0.6
333.12222	0.4
335.13626	0.4
337.07813	0.7
337.11798	10.4
337.15799	0.8
338.12518	7.5
339.13361	12.2
340.13971	0.4
341.14893	4.9
342.16003	0.6
344.13657	1.1
351.13324	0.9
353.15067	1.8
356.13736	0.7
357.14322	5.2
358.15143	2.9
359.15927	8.6
360.16791	0.7
367.12967	0.4
369.10684	0.4
369.14401	27.8
370.15106	3.7
371.15982	34.0
372.16650	2.0
383.16147	0.6
386.18817	2.0
387.15796	0.6
400.16446	0.9
401.16983	0.4
402.17984	0.5
404.19785	1.6
411.15762	1.0
413.17056	1.1
414.18051	2.0
416.19659	8.7
417.20193	0.6
418.17554	1.0
420.19290	0.7
425.16568	0.5
429.16266	0.9
430.17358	2.5
432.19168	5.3
435.15591	0.5
441.16995	0.5
442.17676	3.1
443.18039	0.7
444.18866	0.4
446.21295	0.8
448.18515	6.7
450.20154	0.4
453.16498	1.6
455.18069	0.7
456.18317	0.4
460.18643	37.6
461.18738	1.2
462.20184	0.4
467.18143	0.5
469.15988	0.5
471.17563	2.0
473.19073	1.3
474.20413	3.9
478.19659	0.7
480.21249	31.9
481.21808	0.8
483.17752	0.4
490.19766	1.0
492.21243	100.0
493.21686	2.7
506.22458	0.7
507.75943	0.4
513.18744	1.2
515.20215	1.4
522.22327	2.1
523.23260	0.8
524.23920	1.8
533.21259	0.7
534.22931	0.7
574.87634	0.4
585.26825	0.5
586.21497	0.7
588.23444	2.1
592.22174	0.5
594.24377	3.5
595.25189	2.5
596.24847	0.4
600.23193	2.4
604.22778	0.6
606.24255	1.3
613.26501	60.3
614.27161	2.1
618.24341	2.2
622.23883	0.9
624.25476	4.7
625.25238	0.4
627.27899	3.4
630.08008	0.4
631.26898	0.7
636.25488	5.7
645.29126	36.4
646.29236	1.4
654.26422	3.4
664.25482	0.5
707.31268	0.6
721.28412	0.6
725.31879	2.9
739.29462	0.8
743.32623	2.0
753.31219	2.2
757.30096	0.8
759.30078	0.5
761.33826	1.9
771.32336	1.2
775.31250	0.6
789.33063	3.0
800.30145	4.8
830.31854	0.5
831.31348	0.6
832.33044	0.5
887.36713	0.4
921.35229	1.2
936.41034	0.4
936.59827	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03947	1.9
55.05507	9.8
61.11916	0.8
65.03917	3.2
67.05497	100.0
68.05817	3.2
69.07061	6.5
69.73433	6.3
79.05487	7.5
81.03413	2.5
81.07050	32.6
82.07407	0.9
87.00452	3.9
89.00497	0.8
94.04185	0.9
94.07799	1.5
107.08570	3.6
108.97278	0.9
109.06505	3.9
109.10143	59.8
110.06029	0.9
110.07121	1.2
110.10468	2.0
113.96355	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51662	0.5
53.03939	0.3
54.03443	0.1
54.04263	0.4
55.01871	0.8
55.05507	0.8
56.05031	0.9
56.96562	3.1
57.03418	0.2
57.52432	0.2
58.02946	0.2
58.65899	0.1
58.99846	0.4
59.52183	0.5
60.04506	0.4
60.50272	0.2
62.02431	0.2
65.03920	0.4
65.52173	0.2
66.04704	0.2
66.52946	1.4
66.53231	0.1
67.01870	0.2
67.02979	0.8
67.04234	0.2
67.04593	0.1
67.05492	0.5
67.51067	0.2
68.02650	0.6
68.05019	0.8
68.52718	0.4
69.03467	1.9
69.04541	0.6
69.07061	0.4
69.53275	0.2
70.02947	0.1
70.06585	1.9
71.02982	1.4
71.04987	0.2
71.07369	0.4
71.53083	0.1
71.59875	0.3
71.94091	0.2
72.04512	6.9
72.36137	0.1
72.52947	0.2
73.04875	0.2
73.05290	2.1
74.06066	1.7
74.52689	0.2
74.99823	0.4
75.53487	11.2
76.03554	1.3
76.23431	0.1
76.51586	1.3
76.53358	0.6
77.00893	1.1
77.02959	0.3
78.03744	3.2
78.04169	0.2
78.52968	0.7
78.53790	0.4
79.01846	0.9
79.02695	0.2
79.03617	0.1
79.05473	0.2
79.51894	0.1
79.52847	0.1
80.03495	0.5
80.05005	0.2
81.03411	1.4
81.04538	0.2
81.07056	0.2
82.01432	1.8
82.03741	1.1
82.05311	0.2
82.06567	0.5
82.53797	0.2
83.01496	0.3
83.04976	0.5
83.06094	0.9
84.00343	0.4
84.08138	0.4
84.52966	0.3
84.54008	5.3
85.04062	0.7
85.52096	0.8
85.53747	1.2
86.00921	0.1
86.03481	0.3
86.50612	1.8
86.52710	0.2
86.53583	0.4
86.99355	0.2
87.00448	1.5
87.04275	100.0
87.54346	14.0
88.00449	0.3
88.02407	0.6
88.03275	0.3
88.04121	5.0
89.54539	0.7
90.04599	0.1
90.53478	0.2
93.03406	0.2
93.04465	0.2
93.53488	0.7
93.54533	0.3
94.03242	0.2
94.05051	0.4
94.06555	1.0
94.36543	0.1
94.54259	0.6
95.01955	0.5
95.04026	0.2
95.05017	0.1
95.06104	0.2
95.51124	0.5
95.53217	0.5
95.54091	0.6
96.00963	0.4
96.01521	0.3
96.02110	0.6
96.02991	0.5
96.04793	15.6
96.06859	0.5
96.53986	0.1
96.54197	0.2
96.54865	2.8
97.00104	0.1
97.01003	0.5
97.02286	0.2
97.02892	1.7
97.04060	0.2
97.04582	1.0
98.01402	0.3
98.03469	0.2
98.52667	1.0
98.54514	0.6
98.55059	12.6
99.02808	0.2
99.04249	0.3
99.05154	1.8
99.53931	0.1
99.54962	0.6
100.02473	16.0
101.02537	1.9
101.05823	0.2
102.02227	1.0
102.02807	0.2
103.02460	0.2
104.01943	0.3
105.00349	0.8
105.02050	0.1
105.05246	0.1
106.01628	0.2
106.03433	0.1
106.69188	0.1
107.05829	0.2
107.53174	0.4
107.54981	0.3
107.55607	0.4
108.05698	0.2
109.07614	0.2
110.03273	0.2
110.06007	3.1
110.07149	1.3
110.07902	0.2
111.04447	1.8
111.05559	0.5
111.08042	0.2
111.09193	5.1
112.96719	0.6
113.96393	0.6
115.01189	0.6
115.02434	0.2
115.03545	0.2
115.96435	0.2
118.03510	13.2
119.01918	0.3
119.03622	1.5
120.03253	1.0
121.03488	0.4
122.02966	0.2
123.01420	0.5
123.03158	0.4
123.04048	0.7
127.03551	0.4
128.01935	0.3
129.03963	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02380	1.8
53.03946	25.7
55.01857	5.0
55.05511	8.4
56.05022	1.3
59.00105	1.2
59.51730	1.4
64.44559	1.1
65.03933	8.1
67.05503	87.8
68.05025	14.6
69.04552	7.6
69.07064	5.3
70.87098	3.8
72.93779	3.9
74.30615	1.2
77.99956	1.9
79.05492	30.1
80.05817	1.4
81.03416	56.3
81.06575	2.5
81.07055	52.5
82.03762	1.5
82.06584	7.3
82.07363	1.1
84.00340	2.1
86.00695	7.9
86.50625	14.1
87.00464	62.3
90.94792	1.6
91.05468	8.7
92.05003	2.3
93.04489	1.3
94.04190	6.3
95.51151	2.7
96.00981	17.1
98.01376	1.4
98.51251	14.0
107.04961	2.4
107.08597	4.1
108.95869	2.0
109.02878	15.7
109.06518	100.0
109.07625	25.3
109.10152	54.7
109.10923	1.7
110.06079	10.9
110.07185	21.8
110.10500	1.8
111.96853	2.7
112.17586	1.2
112.96697	4.4
113.96394	26.6
123.05752	1.2
129.97899	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	109.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.6
53.03945	22.2
55.01864	5.2
55.05508	5.8
56.05033	2.3
65.03945	6.1
66.04720	0.7
67.04253	1.5
67.05504	56.0
68.05025	8.5
68.05821	1.0
69.03423	0.9
69.04549	4.3
69.07053	2.6
71.59604	0.9
72.93777	2.2
75.35508	0.7
79.05494	33.7
80.05045	1.1
80.06277	1.2
81.03416	41.9
81.07055	51.4
82.03766	1.2
82.06580	8.5
82.07390	1.2
83.06129	1.4
84.04543	0.8
86.00690	4.8
86.50595	3.8
87.00462	38.5
90.94806	1.0
91.05483	12.6
92.04988	2.2
94.04178	7.9
95.01232	1.0
96.00976	7.9
97.42886	0.7
98.51256	7.1
107.04955	3.2
107.08600	2.3
109.02880	12.7
109.06516	100.0
109.07650	26.6
109.10155	37.2
109.10924	1.1
110.06107	6.2
110.07194	12.0
110.10518	1.3
111.04461	1.0
111.96906	2.1
112.96717	1.9
113.96408	16.1
129.97925	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	o-Cresol
Peak:m/z	Relative Intensity
53.03946	16.0
55.01866	3.2
55.05518	9.3
65.03939	8.8
67.05506	84.4
68.05022	6.5
69.04533	1.8
69.07068	4.9
72.93325	1.6
79.05487	19.1
81.03413	24.7
81.07059	58.5
82.06580	5.4
86.00636	2.0
87.00449	14.6
88.59639	1.7
91.05485	26.5
94.04190	30.7
96.00964	3.4
107.04955	10.6
107.08600	4.8
109.02888	5.9
109.06516	100.0
109.07619	12.6
109.10154	67.7
110.06083	2.2
110.07131	5.5
111.04455	2.9
113.96416	7.5
120.52152	1.8
125.22939	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.7
51.02377	1.0
51.08295	0.7
53.03939	5.5
55.01867	1.2
63.02345	0.7
65.03929	10.6
66.03450	0.9
67.04250	1.7
67.05509	3.7
71.56828	0.6
71.60073	1.4
75.82261	0.8
77.03935	0.9
79.05488	42.0
80.05006	7.7
81.64047	0.7
90.61447	0.7
91.05474	100.0
92.05793	2.2
92.06263	3.4
95.04958	11.0
105.04512	1.9
105.07021	34.8
106.07373	0.8
107.04946	59.5
107.05999	5.3
107.08584	55.3
108.04479	1.8
108.05604	2.2
108.08126	1.6
108.08907	2.0
109.06512	23.0
119.06058	8.3
124.74726	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03936	5.5
54.37143	1.0
55.01851	1.4
56.21561	0.8
59.52521	0.9
65.03936	9.3
67.04255	2.2
67.05508	5.2
71.18053	2.3
79.05489	41.3
80.05012	8.3
80.05814	1.4
91.05477	100.0
91.32449	1.0
92.05763	1.9
92.06270	3.6
95.04975	8.9
105.04540	1.9
105.05993	1.5
105.07027	30.6
106.06588	1.4
107.04951	50.9
107.05996	5.1
107.08586	48.7
108.04499	1.9
108.05603	2.8
108.08118	2.9
108.08911	1.6
109.06505	21.4
110.39523	1.0
119.06068	6.6
124.05177	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.6
61.03531	0.7
65.03942	10.9
67.05492	3.2
69.53149	7.4
77.03944	0.9
79.05487	26.4
80.05016	2.0
80.05811	1.1
84.52449	0.7
91.05474	100.0
92.05775	2.0
92.06279	1.9
95.04935	7.2
96.26849	0.7
96.31703	0.9
105.04543	1.2
105.07024	32.8
107.04948	21.3
107.06049	1.4
107.08585	48.1
108.04545	0.9
108.05299	1.0
108.08167	1.1
108.08917	1.5
109.06510	21.6
119.06049	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	107.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00092	1.1
53.03936	2.8
65.03935	10.1
67.04230	2.0
67.05486	4.7
73.01591	1.0
79.05492	34.3
80.05024	5.0
80.55158	1.0
80.70665	1.1
81.84610	1.1
91.05476	100.0
92.05773	1.5
92.06273	4.7
95.04962	6.7
98.21127	8.1
105.06295	1.7
105.07022	35.2
107.04951	22.4
107.06106	2.8
107.08589	52.2
108.05624	1.4
108.08150	2.5
108.08934	2.1
109.06512	21.6
110.06876	1.1
111.12092	1.1
119.06065	5.6
124.05203	1.0
124.66257	1.1
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
53.03944	1.4
55.01856	0.9
65.03940	11.3
67.04243	1.0
67.05508	2.1
67.11805	0.4
69.42747	0.4
71.52103	0.5
74.21368	0.4
79.05492	16.2
80.05030	2.9
80.05865	0.5
91.05478	100.0
92.05784	2.3
92.06301	2.3
93.05777	0.4
95.04963	4.0
103.05464	0.6
105.07029	36.9
106.06635	0.5
106.07381	1.1
107.04205	0.7
107.04951	14.0
107.06055	2.1
107.08592	55.9
108.04473	1.4
108.05585	1.2
108.08116	1.4
108.08929	2.1
109.06512	24.7
110.06849	0.9
119.06065	6.9
124.05221	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01857	1.0
56.79002	0.7
62.03129	0.6
64.63190	0.7
65.03935	9.1
67.05502	3.2
71.60182	1.4
71.60551	0.9
73.33771	0.7
73.65015	0.7
77.51884	0.6
77.88889	0.7
79.05488	21.8
80.05010	3.3
88.10105	0.7
91.05477	100.0
92.05772	1.5
92.06258	2.5
93.05762	0.8
95.04966	2.9
100.98696	0.8
102.35452	0.7
105.04539	0.7
105.07029	36.2
107.04956	16.3
107.06068	1.8
107.08588	61.2
108.05609	0.7
108.08171	1.6
108.08921	2.0
109.06512	23.6
119.06059	7.5
124.05206	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0493
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
53.03746	0.4
53.03953	4.9
55.01862	1.4
56.14245	0.5
60.68641	0.5
65.03938	2.8
67.04260	0.5
67.05502	0.8
69.77714	2.9
77.03968	0.6
77.71417	0.5
79.01852	0.5
79.05059	1.0
79.05492	15.9
80.05015	3.8
81.03410	0.6
83.76884	0.5
91.05480	23.6
92.06291	0.6
95.04970	11.3
105.04491	1.8
105.07035	7.4
107.04951	100.0
107.08595	11.6
108.04494	1.0
108.05317	2.5
108.08096	1.0
109.06529	5.6
119.06084	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03939	3.2
55.01867	1.1
55.98582	0.5
57.74202	0.5
65.03935	9.9
67.05512	2.7
71.39574	0.5
71.55763	1.0
79.05491	26.7
80.05003	1.1
80.05806	0.7
82.40753	0.5
84.32585	0.5
88.30376	0.5
91.05477	100.0
92.05800	1.5
92.06297	2.8
95.04967	6.6
105.04523	1.4
105.07026	31.0
106.04141	0.7
106.07327	0.7
107.04208	0.7
107.04955	25.0
107.06116	1.4
107.08589	51.4
108.05595	0.7
108.08138	0.6
108.08896	1.3
109.06512	22.8
119.06053	7.0
124.05212	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02374	1.1
53.03947	8.8
54.48928	0.7
59.03734	0.9
60.04538	1.1
61.01137	3.0
65.03928	2.3
69.60670	5.2
74.32125	0.6
76.03989	1.1
77.03924	1.9
77.50048	0.7
79.05489	34.3
87.02738	0.7
95.04963	18.7
103.05466	22.2
104.40585	0.7
105.03405	2.4
105.04517	4.2
105.07026	100.0
106.06664	0.7
106.07358	3.6
119.97517	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03900	0.2
79.01836	1.3
79.05458	0.2
81.03405	21.9
83.01288	0.7
83.04933	0.3
85.02906	1.5
89.03877	0.3
90.14429	0.2
91.01794	0.3
91.05443	0.6
92.99760	1.1
93.03355	0.8
95.00759	0.3
95.01311	4.1
95.04897	0.2
97.02295	0.2
97.02875	2.9
99.00769	0.6
99.04444	1.2
100.53047	0.2
101.02316	0.6
103.05392	0.5
105.03376	0.3
107.01286	0.4
107.04877	0.3
108.02022	0.6
109.02863	16.2
111.00737	0.4
111.04376	0.6
113.02345	0.8
117.01794	0.2
117.03307	0.3
119.01281	1.7
119.04877	0.4
121.02850	3.0
123.00027	0.2
123.00764	2.0
123.04408	0.3
125.02344	1.1
127.03899	4.6
129.01831	0.2
129.03337	0.2
131.04880	0.5
133.02802	0.4
135.04335	0.3
137.02321	2.4
139.00194	0.5
139.03816	0.8
141.01836	1.8
145.02811	0.6
145.04961	0.3
147.00706	1.3
147.04396	1.0
148.01501	0.3
149.02298	2.4
151.00226	1.5
151.03867	0.3
153.01750	0.5
154.99706	0.4
157.02870	1.0
159.04393	0.2
161.02261	0.4
163.00177	0.2
163.03879	1.2
165.01811	12.3
166.99695	0.8
167.03374	3.5
169.01283	1.1
171.04324	0.2
173.02333	1.9
174.03065	0.3
175.00241	0.4
175.03882	1.9
176.01013	0.5
177.01811	1.4
178.99631	0.3
179.03297	0.4
181.01263	0.8
182.99258	1.0
183.02821	0.7
183.04329	0.2
185.00902	0.3
185.02251	1.2
187.03877	2.8
189.01842	1.0
191.03381	3.0
192.00565	0.3
192.06526	0.3
193.01294	28.2
194.01648	0.3
194.99173	0.6
195.02850	1.2
197.00764	0.4
199.03949	0.4
201.01790	5.3
201.05487	0.2
202.02567	0.3
202.99733	2.8
203.03354	4.0
205.01318	1.3
205.04829	0.2
207.02797	0.7
209.00723	0.4
211.02304	2.4
213.01834	2.6
213.05341	0.2
215.03378	3.0
217.01329	2.0
217.04861	0.5
218.02083	0.2
219.02859	4.7
221.00771	98.2
222.01155	1.2
223.02213	0.3
225.05440	0.2
227.03430	0.5
229.01294	4.9
229.04842	0.3
230.02057	0.5
231.02838	16.1
232.03189	0.2
233.00835	0.3
235.02341	0.4
237.00056	0.2
239.01797	4.3
241.01270	2.9
241.04958	0.3
243.02835	0.8
245.00717	2.4
245.04544	0.3
246.01450	0.3
247.02344	14.2
248.02876	0.4
253.04916	0.2
255.02878	0.6
257.00732	11.3
257.02728	0.8
258.01465	0.5
259.02341	24.7
260.02896	0.4
261.03952	0.6
263.01846	2.7
267.01361	0.3
269.00858	0.2
269.04428	0.3
271.02304	0.8
273.00287	1.9
273.03818	0.7
274.01068	0.3
275.01819	19.4
276.02548	4.2
277.03391	55.6
278.03732	0.6
281.04346	0.3
283.02478	0.4
285.00278	9.8
285.03668	0.6
286.00992	0.5
287.01840	1.9
289.03433	1.0
291.01212	1.1
295.02438	0.2
297.03882	0.4
299.01746	0.3
300.99890	0.4
301.03418	1.0
302.00543	0.7
303.01294	100.0
304.01624	1.7
305.02847	0.4
309.03812	0.2
311.01810	0.5
311.05231	0.2
312.99960	0.3
313.03470	0.6
315.01352	0.7
317.02921	0.5
319.00760	0.5
321.02283	3.4
323.01825	0.3
327.01328	0.5
327.04736	0.3
329.02954	0.6
331.00601	0.3
339.01517	0.2
341.02954	0.3
345.02475	0.3
347.04041	1.3
353.02975	0.3
357.02328	0.3
359.03934	0.3
360.97672	0.2
363.03589	0.3
365.05103	3.4
369.02530	0.3
375.03299	0.3
383.06033	0.5
387.03839	0.2
401.04919	0.3
403.03156	0.4
411.03326	0.2
413.01428	0.3
413.40689	0.2
415.03027	0.4
419.06253	1.1
429.04373	1.7
431.02521	1.1
433.03677	0.3
447.05530	1.5
449.03540	1.8
459.01889	4.0
467.04941	0.3
477.02911	11.6
495.04019	1.4
513.05219	1.4
557.05701	0.2
565.04584	0.3
575.06580	0.4
583.05579	0.2
585.04968	0.7
593.07458	1.2
603.06012	5.4
621.07135	13.5
622.07599	0.4
639.08112	10.2
640.07990	0.4
895.07678	0.3
905.06299	0.3
923.07654	6.6
941.08716	29.8
942.09076	1.3
1006.11896	0.3
1020.83069	0.2
1024.12378	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Choline
Peak:m/z	Relative Intensity
57.64557	0.2
58.06596	2.8
58.06870	0.2
59.07373	1.0
60.08161	30.3
61.08500	0.2
69.35583	1.5
69.35990	0.5
86.06066	0.2
86.52829	0.2
87.04470	0.8
93.56207	0.2
104.10739	100.0
105.11056	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5367
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05489	20.4
80.62656	1.4
81.03422	2.8
81.07054	27.3
83.08606	3.4
91.05476	17.6
93.07040	23.5
95.04952	6.6
95.08597	22.5
98.20832	2.7
105.07041	11.7
107.04980	2.1
107.08588	13.6
109.10149	7.7
117.06998	5.8
119.08573	12.1
121.06443	2.3
121.10118	8.7
123.04423	49.1
123.11712	2.3
131.08563	5.1
133.10106	7.7
135.11656	4.4
139.03973	4.2
145.06479	1.9
145.10095	4.5
147.04378	6.1
147.11670	5.4
148.05159	1.9
149.13263	4.5
151.03882	4.6
153.05431	4.0
157.10150	2.2
159.11674	3.5
161.06017	4.0
161.13235	2.6
163.03937	7.9
163.11150	2.2
171.04390	3.5
173.13229	1.8
175.03908	19.8
175.07610	2.3
175.14716	1.7
176.04680	18.5
177.05438	21.6
179.07076	3.6
185.05994	2.3
187.03929	11.3
187.07590	1.9
189.05460	14.7
191.07036	13.5
197.05997	3.2
199.07513	2.0
200.04666	9.3
201.05406	17.8
202.45580	1.7
203.06964	10.3
205.04881	5.3
213.05377	4.1
213.09250	2.5
215.07048	4.0
217.04993	4.7
217.08647	2.3
219.06528	4.0
227.07039	5.5
229.08607	2.7
237.09258	1.8
239.26724	2.0
241.08495	2.5
255.13708	2.0
259.20493	3.2
261.22198	1.8
266.12173	2.2
269.11710	1.7
271.13293	2.5
273.11920	1.4
273.14819	8.3
273.17484	1.6
273.22177	4.1
279.06488	7.5
280.07404	2.6
283.13239	8.0
285.07779	2.7
285.14938	4.7
293.08231	2.2
295.05945	2.4
297.14908	2.5
299.12625	3.2
301.14264	31.1
303.15765	2.4
308.06717	27.1
309.07571	11.7
311.12796	3.7
313.14392	12.0
317.13770	7.5
323.09134	4.5
325.14200	4.1
329.13809	16.2
331.15436	23.7
333.07483	3.1
333.24026	4.1
335.09192	3.8
335.25769	46.7
339.15994	2.7
341.13843	19.6
347.14774	3.6
353.13708	4.8
355.15134	2.5
383.18655	2.0
385.16284	4.1
385.48621	1.8
403.17490	5.2
405.19125	1.9
417.17081	2.6
427.29141	1.8
430.17905	1.8
435.18069	5.2
437.44470	1.9
445.16284	6.4
461.15973	2.5
463.17438	44.1
464.17865	2.2
479.16946	1.9
501.18765	1.7
519.20251	3.4
537.21167	21.6
572.72589	1.8
589.34979	7.5
596.60687	1.8
607.36462	3.4
645.37433	5.1
663.38855	81.1
664.39465	3.6
675.38428	4.5
681.39905	100.0
682.39606	3.7
693.39471	2.1
705.39758	3.2
721.40521	3.3
729.40314	2.3
789.41254	2.4
797.42499	56.5
798.42993	2.1
815.43604	58.3
868.45648	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	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.5
53.03946	14.7
56.05032	6.5
56.96564	11.2
57.03416	1.5
57.04556	1.2
57.05379	6.1
58.02949	2.0
58.06595	12.8
59.06121	27.8
60.04530	5.7
60.08165	1.7
62.05782	1.4
62.06085	17.8
70.85322	1.4
70.85654	2.6
73.07684	6.7
75.05592	4.2
77.03931	2.7
85.02899	1.8
85.07654	4.6
86.05579	1.3
86.06065	15.6
86.09702	1.8
87.04461	1.4
88.02372	2.2
88.52541	1.8
95.04957	28.8
102.04673	3.4
103.03963	4.4
103.05459	100.0
103.08698	32.2
103.09403	1.5
104.03438	1.2
104.05779	2.7
104.10734	4.6
105.04504	6.5
END